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 3agj_1_B DATA FIRST_RESID -1 DATA SEQUENCE SHMRVEVLDN KRRIVRLRPE SEEDLWLLRI TLRPGDVVRK RTSRDVPVGS DATA SEQUENCE GRKERVVMTL RIRLDSIEFQ PFTGKLRISG IVVEGPDEFG VKGRRHSTAV DATA SEQUENCE SIGTWLVVER DKGWSEQELE RLAAGRARGT AVIAAVDYDE FALAVLAGHG DATA SEQUENCE MKILEDTSAR LPGKDDPSRE QEVEKYVDRA AKRIVEEAAR HRSPIAVIAG DATA SEQUENCE PGQLKTSVAE KVQRAMPSLK VATVDTSMGG VAGVREALRR ESVTRILREL DATA SEQUENCE SIVEAEGVLE EFLRRIAKSR DTVAYTPGEV LAVARMGAVD TVLLVDTLLH DATA SEQUENCE SPDDAVREAV DEALRLVESM GGRVIIIPGD SPAGERLVSF GGVIALLRYP DATA SEQUENCE VPQEARR 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 -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.639 174.600 0.065 0.000 1.055 -1 S CA 0.000 58.203 58.200 0.004 0.000 1.107 -1 S CB 0.000 63.238 63.200 0.063 0.000 0.593 0 H N -0.165 118.891 119.070 -0.022 0.000 2.960 0 H HA 0.669 5.225 4.556 -0.001 0.000 0.323 0 H C -0.708 174.590 175.328 -0.050 0.000 1.326 0 H CA -0.959 55.072 56.048 -0.029 0.000 1.124 0 H CB 0.653 30.402 29.762 -0.022 0.000 1.853 0 H HN 0.220 nan 8.280 nan 0.000 0.536 1 M N 2.305 121.955 119.600 0.084 0.000 2.143 1 M HA 0.289 4.769 4.480 -0.001 0.000 0.348 1 M C -0.613 175.700 176.300 0.022 0.000 1.375 1 M CA -0.344 54.939 55.300 -0.027 0.000 1.124 1 M CB 0.092 32.672 32.600 -0.033 0.000 1.669 1 M HN 0.645 nan 8.290 nan 0.000 0.469 2 R N 2.507 122.945 120.500 -0.104 0.000 2.522 2 R HA 0.261 4.600 4.340 -0.001 0.000 0.284 2 R C -0.722 175.580 176.300 0.003 0.000 1.032 2 R CA 0.056 56.139 56.100 -0.027 0.000 1.049 2 R CB 0.503 30.776 30.300 -0.045 0.000 0.956 2 R HN 0.520 nan 8.270 nan 0.000 0.422 3 V N 2.798 122.730 119.914 0.032 0.000 2.612 3 V HA 0.384 4.504 4.120 -0.001 0.000 0.301 3 V C -1.379 174.712 176.094 -0.006 0.000 1.059 3 V CA -0.415 61.875 62.300 -0.017 0.000 0.886 3 V CB 1.635 33.420 31.823 -0.064 0.000 1.007 3 V HN 0.917 nan 8.190 nan 0.000 0.426 4 E N 4.812 125.008 120.200 -0.008 0.000 2.278 4 E HA 0.541 4.890 4.350 -0.001 0.000 0.272 4 E C -2.019 174.574 176.600 -0.011 0.000 0.890 4 E CA -0.672 55.732 56.400 0.006 0.000 0.770 4 E CB 2.432 32.157 29.700 0.041 0.000 1.212 4 E HN 0.708 nan 8.360 nan 0.000 0.415 5 V N 6.597 126.507 119.914 -0.006 0.000 2.364 5 V HA 0.144 4.263 4.120 -0.001 0.000 0.272 5 V C 0.190 176.303 176.094 0.033 0.000 1.036 5 V CA -0.314 61.992 62.300 0.010 0.000 0.880 5 V CB 0.902 32.739 31.823 0.024 0.000 0.991 5 V HN 0.842 nan 8.190 nan 0.000 0.460 6 L N 5.330 126.580 121.223 0.045 0.000 2.162 6 L HA 0.210 4.550 4.340 -0.001 0.000 0.205 6 L C 1.154 178.048 176.870 0.041 0.000 1.086 6 L CA 1.130 55.993 54.840 0.039 0.000 0.778 6 L CB -0.723 41.360 42.059 0.039 0.000 0.928 6 L HN 0.927 nan 8.230 nan 0.000 0.446 7 D N -2.761 117.674 120.400 0.058 0.000 2.384 7 D HA 0.093 4.732 4.640 -0.001 0.000 0.250 7 D C 0.388 176.717 176.300 0.047 0.000 1.029 7 D CA -0.477 53.553 54.000 0.050 0.000 0.990 7 D CB 0.536 41.368 40.800 0.054 0.000 1.175 7 D HN -0.152 nan 8.370 nan 0.000 0.532 8 N N -0.544 118.177 118.700 0.036 0.000 2.354 8 N HA -0.044 4.696 4.740 -0.001 0.000 0.179 8 N C 1.164 176.695 175.510 0.035 0.000 1.021 8 N CA 0.518 53.587 53.050 0.032 0.000 0.887 8 N CB 0.120 38.620 38.487 0.022 0.000 0.974 8 N HN 0.355 nan 8.380 nan 0.000 0.437 9 K N 0.717 121.139 120.400 0.036 0.000 2.555 9 K HA 0.134 4.454 4.320 -0.001 0.000 0.193 9 K C -0.249 176.383 176.600 0.055 0.000 1.032 9 K CA 0.129 56.437 56.287 0.034 0.000 1.004 9 K CB 0.158 32.671 32.500 0.021 0.000 0.804 9 K HN 0.105 nan 8.250 nan 0.000 0.496 10 R N -0.351 120.199 120.500 0.082 0.000 3.516 10 R HA -0.238 4.101 4.340 -0.001 0.000 0.271 10 R C 0.422 176.850 176.300 0.213 0.000 1.098 10 R CA 0.578 56.761 56.100 0.139 0.000 0.732 10 R CB -1.462 28.911 30.300 0.122 0.000 1.152 10 R HN 0.274 nan 8.270 nan 0.000 0.455 11 R N -0.347 120.253 120.500 0.168 0.000 2.254 11 R HA 0.178 4.518 4.340 -0.001 0.000 0.193 11 R C 0.188 176.664 176.300 0.293 0.000 0.929 11 R CA 0.440 56.612 56.100 0.119 0.000 1.038 11 R CB 0.445 30.754 30.300 0.017 0.000 1.009 11 R HN 0.003 nan 8.270 nan 0.000 0.512 12 I N 0.976 121.717 120.570 0.285 0.000 2.362 12 I HA 0.193 4.362 4.170 -0.001 0.000 0.289 12 I C -0.700 175.542 176.117 0.208 0.000 0.994 12 I CA -0.585 60.874 61.300 0.266 0.000 1.158 12 I CB 2.056 40.140 38.000 0.141 0.000 1.315 12 I HN -0.297 nan 8.210 nan 0.000 0.451 13 V N 6.390 126.397 119.914 0.156 0.000 2.588 13 V HA 0.537 4.657 4.120 -0.001 0.000 0.304 13 V C -0.142 175.941 176.094 -0.019 0.000 1.042 13 V CA -0.921 61.340 62.300 -0.065 0.000 0.877 13 V CB 2.042 33.583 31.823 -0.471 0.000 0.996 13 V HN 0.674 nan 8.190 nan 0.000 0.425 14 R N 5.789 126.294 120.500 0.008 0.000 2.294 14 R HA 0.820 5.160 4.340 -0.001 0.000 0.319 14 R C -1.124 175.234 176.300 0.096 0.000 0.984 14 R CA -0.403 55.747 56.100 0.083 0.000 0.861 14 R CB 0.893 31.256 30.300 0.105 0.000 1.104 14 R HN 0.793 nan 8.270 nan 0.000 0.451 15 L N 0.754 122.042 121.223 0.109 0.000 2.409 15 L HA 0.683 5.023 4.340 -0.001 0.000 0.255 15 L C -1.342 175.490 176.870 -0.064 0.000 1.027 15 L CA -1.226 53.630 54.840 0.027 0.000 0.834 15 L CB 2.270 44.282 42.059 -0.079 0.000 1.426 15 L HN 0.731 nan 8.230 nan 0.000 0.411 16 R N 1.809 122.152 120.500 -0.261 0.000 2.521 16 R HA 0.484 4.824 4.340 -0.001 0.000 0.295 16 R C -2.789 173.307 176.300 -0.340 0.000 1.183 16 R CA -1.488 54.302 56.100 -0.517 0.000 0.957 16 R CB 2.069 31.661 30.300 -1.180 0.000 1.171 16 R HN 0.451 nan 8.270 nan 0.000 0.494 17 P HA -0.002 nan 4.420 nan 0.000 0.264 17 P C -0.478 176.715 177.300 -0.178 0.000 1.183 17 P CA 0.366 63.373 63.100 -0.155 0.000 0.763 17 P CB 0.678 32.317 31.700 -0.102 0.000 0.807 18 E N 0.025 120.144 120.200 -0.135 0.000 2.641 18 E HA 0.130 4.480 4.350 -0.001 0.000 0.224 18 E C -0.017 176.544 176.600 -0.065 0.000 0.951 18 E CA -0.028 56.297 56.400 -0.126 0.000 1.102 18 E CB 0.634 30.242 29.700 -0.154 0.000 1.091 18 E HN 0.538 nan 8.360 nan 0.000 0.507 19 S N -1.093 114.584 115.700 -0.039 0.000 2.596 19 S HA 0.224 4.694 4.470 -0.001 0.000 0.270 19 S C 0.459 175.068 174.600 0.014 0.000 1.155 19 S CA -0.822 57.379 58.200 0.002 0.000 0.827 19 S CB 1.929 65.142 63.200 0.021 0.000 1.130 19 S HN 0.049 nan 8.310 nan 0.000 0.467 20 E N 0.517 120.743 120.200 0.044 0.000 2.153 20 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 20 E C 1.432 177.982 176.600 -0.083 0.000 0.988 20 E CA 1.583 58.005 56.400 0.037 0.000 0.811 20 E CB -0.058 29.696 29.700 0.090 0.000 0.746 20 E HN 0.693 nan 8.360 nan 0.000 0.466 21 E N 0.927 121.116 120.200 -0.019 0.000 2.110 21 E HA -0.216 4.133 4.350 -0.001 0.000 0.193 21 E C 1.506 178.113 176.600 0.011 0.000 0.988 21 E CA 0.980 57.377 56.400 -0.004 0.000 0.804 21 E CB -0.402 29.375 29.700 0.129 0.000 0.745 21 E HN 0.324 nan 8.360 nan 0.000 0.458 22 D N 1.405 121.804 120.400 -0.002 0.000 2.123 22 D HA -0.107 4.533 4.640 -0.001 0.000 0.196 22 D C 2.283 178.547 176.300 -0.059 0.000 0.992 22 D CA 0.760 54.743 54.000 -0.028 0.000 0.833 22 D CB -0.330 40.446 40.800 -0.039 0.000 0.954 22 D HN 0.186 nan 8.370 nan 0.000 0.455 23 L N -0.095 121.104 121.223 -0.039 0.000 2.046 23 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 23 L C 2.564 179.310 176.870 -0.208 0.000 1.077 23 L CA 0.987 55.817 54.840 -0.017 0.000 0.747 23 L CB -0.422 41.738 42.059 0.169 0.000 0.896 23 L HN 0.285 nan 8.230 nan 0.000 0.432 24 W N 0.682 121.591 121.300 -0.651 0.000 2.358 24 W HA -0.238 4.422 4.660 -0.001 0.000 0.303 24 W C 2.124 178.375 176.519 -0.448 0.000 1.208 24 W CA 0.860 57.645 57.345 -0.933 0.000 1.274 24 W CB -0.025 28.896 29.460 -0.898 0.000 1.138 24 W HN 0.096 nan 8.180 nan 0.000 0.515 25 L N 1.267 122.333 121.223 -0.263 0.000 2.081 25 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 25 L C 2.537 179.243 176.870 -0.273 0.000 1.080 25 L CA 1.616 56.293 54.840 -0.272 0.000 0.754 25 L CB -1.615 40.377 42.059 -0.111 0.000 0.893 25 L HN 0.096 nan 8.230 nan 0.000 0.433 26 L N -1.448 119.645 121.223 -0.216 0.000 2.109 26 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 26 L C 2.676 179.453 176.870 -0.155 0.000 1.086 26 L CA 0.609 55.365 54.840 -0.141 0.000 0.760 26 L CB -0.441 41.571 42.059 -0.078 0.000 0.910 26 L HN 0.194 nan 8.230 nan 0.000 0.437 27 R N 1.724 122.056 120.500 -0.279 0.000 2.096 27 R HA -0.192 4.147 4.340 -0.001 0.000 0.240 27 R C 2.050 178.232 176.300 -0.197 0.000 1.139 27 R CA 2.079 58.019 56.100 -0.266 0.000 0.952 27 R CB -0.772 29.237 30.300 -0.485 0.000 0.854 27 R HN 0.582 nan 8.270 nan 0.000 0.436 28 I N -2.633 117.644 120.570 -0.488 0.000 3.578 28 I HA 0.106 4.276 4.170 -0.001 0.000 0.295 28 I C 0.453 176.432 176.117 -0.231 0.000 1.280 28 I CA 1.066 62.117 61.300 -0.414 0.000 1.347 28 I CB 0.044 37.672 38.000 -0.620 0.000 1.051 28 I HN -0.015 nan 8.210 nan 0.000 0.460 29 T N 1.309 115.777 114.554 -0.143 0.000 3.044 29 T HA 0.327 4.676 4.350 -0.001 0.000 0.237 29 T C 0.895 175.637 174.700 0.070 0.000 1.001 29 T CA -0.037 62.045 62.100 -0.029 0.000 1.160 29 T CB -0.047 68.817 68.868 -0.007 0.000 0.889 29 T HN 0.096 nan 8.240 nan 0.000 0.442 30 L N 1.783 123.066 121.223 0.100 0.000 2.483 30 L HA 0.391 4.731 4.340 -0.001 0.000 0.275 30 L C 0.354 177.317 176.870 0.154 0.000 1.220 30 L CA 0.025 54.962 54.840 0.162 0.000 0.833 30 L CB 0.285 42.425 42.059 0.136 0.000 1.102 30 L HN 0.078 nan 8.230 nan 0.000 0.490 31 R N 1.874 122.443 120.500 0.115 0.000 2.774 31 R HA 0.444 4.783 4.340 -0.001 0.000 0.272 31 R C -2.696 173.647 176.300 0.071 0.000 1.000 31 R CA -1.773 54.373 56.100 0.078 0.000 0.906 31 R CB 1.862 32.151 30.300 -0.019 0.000 1.227 31 R HN 0.166 nan 8.270 nan 0.000 0.468 32 P HA 0.139 nan 4.420 nan 0.000 0.261 32 P C 0.022 177.330 177.300 0.014 0.000 1.203 32 P CA 0.931 64.060 63.100 0.048 0.000 0.767 32 P CB 0.782 32.511 31.700 0.050 0.000 0.785 33 G N 2.549 111.356 108.800 0.012 0.000 2.380 33 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.197 33 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.197 33 G C -0.144 174.748 174.900 -0.014 0.000 1.001 33 G CA -0.543 44.552 45.100 -0.008 0.000 0.668 33 G HN 0.449 nan 8.290 nan 0.000 0.483 34 D N 0.691 121.088 120.400 -0.004 0.000 2.423 34 D HA 0.419 5.059 4.640 -0.001 0.000 0.238 34 D C 0.368 176.694 176.300 0.043 0.000 1.142 34 D CA 0.384 54.392 54.000 0.012 0.000 0.884 34 D CB 1.838 42.679 40.800 0.070 0.000 1.199 34 D HN 0.187 nan 8.370 nan 0.000 0.438 35 V N 2.768 122.715 119.914 0.054 0.000 2.334 35 V HA 0.242 4.362 4.120 -0.001 0.000 0.281 35 V C 0.279 176.427 176.094 0.090 0.000 1.016 35 V CA -0.765 61.572 62.300 0.061 0.000 0.832 35 V CB 1.394 33.242 31.823 0.041 0.000 0.999 35 V HN 0.339 nan 8.190 nan 0.000 0.439 36 V N 2.969 122.936 119.914 0.088 0.000 2.713 36 V HA 0.683 4.802 4.120 -0.001 0.000 0.307 36 V C -0.033 176.109 176.094 0.080 0.000 1.052 36 V CA -1.013 61.345 62.300 0.097 0.000 0.967 36 V CB 1.629 33.510 31.823 0.097 0.000 1.019 36 V HN 0.841 nan 8.190 nan 0.000 0.459 37 R N 2.204 122.753 120.500 0.081 0.000 2.407 37 R HA 0.426 4.766 4.340 -0.001 0.000 0.298 37 R C -0.632 175.712 176.300 0.075 0.000 1.166 37 R CA -0.450 55.689 56.100 0.065 0.000 1.006 37 R CB 0.981 31.316 30.300 0.058 0.000 1.145 37 R HN 0.937 nan 8.270 nan 0.000 0.538 38 K N 2.537 122.980 120.400 0.071 0.000 2.166 38 K HA 0.301 4.620 4.320 -0.001 0.000 0.245 38 K C -0.676 175.962 176.600 0.063 0.000 0.967 38 K CA -0.839 55.499 56.287 0.085 0.000 0.863 38 K CB 1.485 34.045 32.500 0.100 0.000 1.107 38 K HN 0.391 nan 8.250 nan 0.000 0.436 39 R N 2.470 123.016 120.500 0.076 0.000 2.408 39 R HA 0.111 4.451 4.340 -0.001 0.000 0.308 39 R C -0.096 176.240 176.300 0.061 0.000 1.210 39 R CA -0.020 56.113 56.100 0.055 0.000 1.115 39 R CB 0.071 30.407 30.300 0.061 0.000 1.127 39 R HN 0.739 nan 8.270 nan 0.000 0.523 40 T N -0.283 114.301 114.554 0.050 0.000 3.405 40 T HA 0.527 4.876 4.350 -0.001 0.000 0.282 40 T C -0.007 174.718 174.700 0.042 0.000 1.198 40 T CA -0.319 61.836 62.100 0.090 0.000 0.959 40 T CB 0.688 69.707 68.868 0.253 0.000 2.368 40 T HN 0.486 nan 8.240 nan 0.000 0.519 41 S N -0.099 115.636 115.700 0.059 0.000 2.606 41 S HA 0.557 5.026 4.470 -0.001 0.000 0.290 41 S C -1.124 173.498 174.600 0.037 0.000 1.103 41 S CA -1.293 56.908 58.200 0.002 0.000 0.870 41 S CB 1.683 64.883 63.200 0.001 0.000 1.077 41 S HN 1.191 nan 8.310 nan 0.000 0.448 42 R N 0.411 120.884 120.500 -0.045 0.000 2.869 42 R HA 0.690 5.030 4.340 -0.001 0.000 0.263 42 R C -1.950 174.296 176.300 -0.090 0.000 1.066 42 R CA -0.839 55.251 56.100 -0.016 0.000 0.960 42 R CB 0.548 30.877 30.300 0.047 0.000 1.221 42 R HN 0.470 nan 8.270 nan 0.000 0.474 43 D N 1.545 121.912 120.400 -0.055 0.000 2.393 43 D HA 0.214 4.854 4.640 -0.001 0.000 0.232 43 D C -0.748 175.508 176.300 -0.073 0.000 1.192 43 D CA -0.117 53.847 54.000 -0.060 0.000 0.882 43 D CB 1.542 42.326 40.800 -0.027 0.000 1.038 43 D HN 0.326 nan 8.370 nan 0.000 0.499 44 V N 4.345 124.190 119.914 -0.116 0.000 2.472 44 V HA 0.416 4.535 4.120 -0.001 0.000 0.290 44 V C -2.045 174.049 176.094 -0.000 0.000 1.037 44 V CA -2.233 60.016 62.300 -0.086 0.000 0.908 44 V CB 2.132 33.809 31.823 -0.244 0.000 0.985 44 V HN 0.309 nan 8.190 nan 0.000 0.454 45 P HA 0.075 nan 4.420 nan 0.000 0.261 45 P C -0.239 177.100 177.300 0.065 0.000 1.650 45 P CA 0.161 63.288 63.100 0.046 0.000 0.846 45 P CB -0.197 31.530 31.700 0.045 0.000 1.758 46 V N 0.562 120.526 119.914 0.083 0.000 2.385 46 V HA 0.444 4.564 4.120 -0.001 0.000 0.269 46 V C 1.372 177.499 176.094 0.056 0.000 1.043 46 V CA 0.523 62.876 62.300 0.087 0.000 0.906 46 V CB 0.952 32.860 31.823 0.140 0.000 0.995 46 V HN 0.296 nan 8.190 nan 0.000 0.467 47 G N 3.241 112.066 108.800 0.042 0.000 2.529 47 G HA2 0.050 4.009 3.960 -0.001 0.000 0.193 47 G HA3 0.050 4.009 3.960 -0.001 0.000 0.193 47 G C 0.489 175.406 174.900 0.029 0.000 1.230 47 G CA 0.475 45.599 45.100 0.040 0.000 0.668 47 G HN 0.661 nan 8.290 nan 0.000 0.665 48 S N 1.083 116.796 115.700 0.023 0.000 3.483 48 S HA 0.466 4.935 4.470 -0.001 0.000 0.274 48 S C 1.257 175.866 174.600 0.015 0.000 1.289 48 S CA 0.418 58.629 58.200 0.017 0.000 0.938 48 S CB 0.263 63.471 63.200 0.014 0.000 1.453 48 S HN 1.806 nan 8.310 nan 0.000 0.494 49 G N 0.634 109.444 108.800 0.016 0.000 2.168 49 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.263 49 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.263 49 G C 0.259 175.167 174.900 0.013 0.000 0.977 49 G CA 0.192 45.299 45.100 0.013 0.000 0.659 49 G HN 1.173 nan 8.290 nan 0.000 0.533 50 R N -0.428 120.082 120.500 0.016 0.000 2.892 50 R HA 0.936 5.276 4.340 -0.001 0.000 0.265 50 R C -0.155 176.155 176.300 0.016 0.000 1.025 50 R CA -0.080 56.029 56.100 0.015 0.000 0.982 50 R CB 0.998 31.307 30.300 0.015 0.000 1.185 50 R HN 0.454 nan 8.270 nan 0.000 0.484 51 K N 0.460 120.867 120.400 0.011 0.000 2.427 51 K HA 0.623 4.943 4.320 -0.001 0.000 0.252 51 K C -0.990 175.610 176.600 0.000 0.000 0.931 51 K CA -0.423 55.868 56.287 0.006 0.000 0.793 51 K CB 2.144 34.643 32.500 -0.001 0.000 1.211 51 K HN 0.860 nan 8.250 nan 0.000 0.426 52 E N 1.889 122.085 120.200 -0.006 0.000 2.256 52 E HA 0.382 4.732 4.350 -0.001 0.000 0.267 52 E C -1.078 175.496 176.600 -0.043 0.000 0.892 52 E CA -0.984 55.408 56.400 -0.013 0.000 0.775 52 E CB 1.797 31.499 29.700 0.004 0.000 1.207 52 E HN 0.559 nan 8.360 nan 0.000 0.420 53 R N 1.085 121.562 120.500 -0.039 0.000 2.202 53 R HA 0.507 4.846 4.340 -0.001 0.000 0.334 53 R C -0.967 175.292 176.300 -0.069 0.000 1.036 53 R CA -0.241 55.825 56.100 -0.055 0.000 0.878 53 R CB 0.894 31.175 30.300 -0.031 0.000 1.067 53 R HN 0.447 nan 8.270 nan 0.000 0.457 54 V N 6.678 126.514 119.914 -0.129 0.000 2.448 54 V HA 0.363 4.483 4.120 -0.001 0.000 0.295 54 V C -0.657 175.368 176.094 -0.115 0.000 1.025 54 V CA -0.837 61.381 62.300 -0.136 0.000 0.859 54 V CB 1.832 33.500 31.823 -0.259 0.000 0.988 54 V HN 0.670 nan 8.190 nan 0.000 0.431 55 V N 9.472 129.356 119.914 -0.049 0.000 2.485 55 V HA 0.475 4.595 4.120 -0.001 0.000 0.287 55 V C -0.044 176.037 176.094 -0.021 0.000 1.022 55 V CA 0.519 62.805 62.300 -0.024 0.000 1.067 55 V CB 0.599 32.424 31.823 0.003 0.000 0.967 55 V HN 1.011 nan 8.190 nan 0.000 0.479 56 M N 4.913 124.494 119.600 -0.032 0.000 2.470 56 M HA 0.558 5.038 4.480 -0.001 0.000 0.285 56 M C -0.837 175.452 176.300 -0.018 0.000 1.213 56 M CA -0.575 54.720 55.300 -0.008 0.000 0.901 56 M CB 2.112 34.694 32.600 -0.030 0.000 1.718 56 M HN 0.345 nan 8.290 nan 0.000 0.469 57 T N 4.307 118.865 114.554 0.005 0.000 2.845 57 T HA 0.770 5.119 4.350 -0.001 0.000 0.288 57 T C -0.249 174.440 174.700 -0.018 0.000 0.980 57 T CA -0.553 61.545 62.100 -0.003 0.000 1.071 57 T CB 0.666 69.541 68.868 0.011 0.000 0.941 57 T HN 0.614 nan 8.240 nan 0.000 0.487 58 L N 1.211 122.410 121.223 -0.041 0.000 2.341 58 L HA 0.750 5.089 4.340 -0.001 0.000 0.254 58 L C -0.535 176.328 176.870 -0.012 0.000 1.040 58 L CA -1.663 53.151 54.840 -0.043 0.000 0.837 58 L CB 1.857 43.849 42.059 -0.112 0.000 1.425 58 L HN 0.325 nan 8.230 nan 0.000 0.414 59 R N 1.060 121.560 120.500 0.000 0.000 2.387 59 R HA 0.768 5.108 4.340 -0.001 0.000 0.314 59 R C -1.341 174.974 176.300 0.025 0.000 0.958 59 R CA -0.521 55.592 56.100 0.022 0.000 0.846 59 R CB 2.065 32.380 30.300 0.026 0.000 1.147 59 R HN 0.502 nan 8.270 nan 0.000 0.447 60 I N 1.961 122.558 120.570 0.044 0.000 2.465 60 I HA 0.341 4.511 4.170 -0.001 0.000 0.291 60 I C 0.186 176.335 176.117 0.053 0.000 1.014 60 I CA -0.861 60.471 61.300 0.055 0.000 1.093 60 I CB 2.115 40.167 38.000 0.087 0.000 1.267 60 I HN 0.397 nan 8.210 nan 0.000 0.431 61 R N 6.084 126.611 120.500 0.044 0.000 2.325 61 R HA 0.266 4.605 4.340 -0.001 0.000 0.323 61 R C -0.713 175.611 176.300 0.040 0.000 1.177 61 R CA -0.744 55.378 56.100 0.037 0.000 1.018 61 R CB 0.195 30.510 30.300 0.026 0.000 1.070 61 R HN 0.446 nan 8.270 nan 0.000 0.495 62 L N 3.869 125.120 121.223 0.046 0.000 2.653 62 L HA -0.125 4.214 4.340 -0.001 0.000 0.288 62 L C 0.786 177.678 176.870 0.036 0.000 1.243 62 L CA 1.193 56.060 54.840 0.046 0.000 0.906 62 L CB 0.597 42.689 42.059 0.055 0.000 1.154 62 L HN 0.777 nan 8.230 nan 0.000 0.498 63 D N -0.133 120.285 120.400 0.031 0.000 2.457 63 D HA 0.119 4.759 4.640 -0.001 0.000 0.254 63 D C -0.228 176.082 176.300 0.018 0.000 1.097 63 D CA 0.239 54.253 54.000 0.024 0.000 0.870 63 D CB 0.738 41.551 40.800 0.022 0.000 1.253 63 D HN 0.411 nan 8.370 nan 0.000 0.500 64 S N -0.042 115.663 115.700 0.009 0.000 2.562 64 S HA 0.515 4.984 4.470 -0.001 0.000 0.274 64 S C -2.070 172.507 174.600 -0.039 0.000 1.160 64 S CA -0.808 57.381 58.200 -0.018 0.000 0.933 64 S CB 0.603 63.793 63.200 -0.016 0.000 1.100 64 S HN 0.091 nan 8.310 nan 0.000 0.468 65 I N 3.659 124.162 120.570 -0.111 0.000 2.447 65 I HA 0.635 4.805 4.170 -0.001 0.000 0.287 65 I C -0.539 175.465 176.117 -0.188 0.000 1.023 65 I CA -0.626 60.590 61.300 -0.140 0.000 1.083 65 I CB 1.613 39.500 38.000 -0.189 0.000 1.245 65 I HN 0.542 nan 8.210 nan 0.000 0.434 66 E N 5.020 125.181 120.200 -0.065 0.000 2.292 66 E HA 0.545 4.895 4.350 -0.001 0.000 0.272 66 E C -1.831 174.834 176.600 0.108 0.000 0.881 66 E CA -0.578 55.815 56.400 -0.011 0.000 0.754 66 E CB 3.493 33.183 29.700 -0.016 0.000 1.201 66 E HN 0.462 nan 8.360 nan 0.000 0.425 67 F N 1.602 121.539 119.950 -0.022 0.000 2.565 67 F HA 0.367 4.894 4.527 -0.001 0.000 0.313 67 F C -0.928 174.901 175.800 0.049 0.000 1.091 67 F CA -0.478 57.537 58.000 0.026 0.000 0.915 67 F CB 1.818 40.871 39.000 0.088 0.000 1.208 67 F HN 0.265 nan 8.300 nan 0.000 0.453 68 Q N 7.289 126.717 119.800 -0.621 0.000 2.304 68 Q HA 0.475 4.814 4.340 -0.001 0.000 0.270 68 Q C -2.858 172.660 176.000 -0.803 0.000 1.035 68 Q CA -2.371 53.165 55.803 -0.445 0.000 0.781 68 Q CB 2.678 31.297 28.738 -0.197 0.000 1.261 68 Q HN 0.323 nan 8.270 nan 0.000 0.444 69 P HA 0.079 nan 4.420 nan 0.000 0.269 69 P C -0.883 176.205 177.300 -0.352 0.000 1.215 69 P CA 0.230 62.974 63.100 -0.594 0.000 0.780 69 P CB 0.123 31.467 31.700 -0.594 0.000 0.898 70 F N -1.202 118.749 119.950 0.002 0.000 2.988 70 F HA -0.233 4.294 4.527 -0.001 0.000 0.287 70 F C 1.226 177.021 175.800 -0.009 0.000 0.781 70 F CA 1.307 59.339 58.000 0.053 0.000 1.221 70 F CB -3.061 35.990 39.000 0.085 0.000 1.392 70 F HN 0.405 nan 8.300 nan 0.000 0.425 71 T N -3.673 110.875 114.554 -0.010 0.000 2.959 71 T HA 0.492 4.841 4.350 -0.001 0.000 0.254 71 T C 1.624 176.302 174.700 -0.036 0.000 1.003 71 T CA 0.880 62.961 62.100 -0.032 0.000 0.950 71 T CB 0.822 69.632 68.868 -0.095 0.000 1.090 71 T HN 1.637 nan 8.240 nan 0.000 0.503 72 G N 1.629 110.403 108.800 -0.044 0.000 2.221 72 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.265 72 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.265 72 G C -0.248 174.650 174.900 -0.002 0.000 1.041 72 G CA 0.329 45.431 45.100 0.003 0.000 0.807 72 G HN 0.742 nan 8.290 nan 0.000 0.502 73 K N -0.494 119.884 120.400 -0.037 0.000 2.535 73 K HA 0.518 4.837 4.320 -0.001 0.000 0.251 73 K C -0.897 175.713 176.600 0.017 0.000 0.942 73 K CA -0.930 55.348 56.287 -0.015 0.000 0.798 73 K CB 2.112 34.588 32.500 -0.040 0.000 1.267 73 K HN 0.063 nan 8.250 nan 0.000 0.434 74 L N 4.021 125.293 121.223 0.081 0.000 2.277 74 L HA 0.397 4.737 4.340 -0.001 0.000 0.284 74 L C -0.549 176.355 176.870 0.056 0.000 1.028 74 L CA -0.493 54.426 54.840 0.132 0.000 0.835 74 L CB 0.920 43.065 42.059 0.144 0.000 1.215 74 L HN 0.631 nan 8.230 nan 0.000 0.425 75 R N 6.907 127.428 120.500 0.034 0.000 2.298 75 R HA 0.464 4.804 4.340 -0.001 0.000 0.310 75 R C -0.861 175.441 176.300 0.003 0.000 1.068 75 R CA -0.216 55.887 56.100 0.004 0.000 0.957 75 R CB 0.408 30.700 30.300 -0.013 0.000 1.003 75 R HN 0.769 nan 8.270 nan 0.000 0.454 76 I N -0.551 120.019 120.570 -0.000 0.000 2.934 76 I HA 0.614 4.784 4.170 -0.001 0.000 0.306 76 I C -0.751 175.365 176.117 -0.002 0.000 1.110 76 I CA -0.876 60.428 61.300 0.006 0.000 1.019 76 I CB 2.477 40.496 38.000 0.030 0.000 1.227 76 I HN 0.510 nan 8.210 nan 0.000 0.434 77 S N 1.985 117.689 115.700 0.007 0.000 2.537 77 S HA 0.920 5.390 4.470 -0.001 0.000 0.271 77 S C -0.754 173.863 174.600 0.029 0.000 1.148 77 S CA 0.174 58.379 58.200 0.008 0.000 0.868 77 S CB 1.748 64.939 63.200 -0.014 0.000 1.115 77 S HN 1.499 nan 8.310 nan 0.000 0.461 78 G N 1.869 110.697 108.800 0.046 0.000 2.430 78 G HA2 0.441 4.400 3.960 -0.001 0.000 0.300 78 G HA3 0.441 4.400 3.960 -0.001 0.000 0.300 78 G C -1.807 173.128 174.900 0.059 0.000 1.330 78 G CA -0.777 44.352 45.100 0.047 0.000 0.813 78 G HN 0.796 nan 8.290 nan 0.000 0.487 79 I N 1.130 121.728 120.570 0.047 0.000 2.396 79 I HA 0.231 4.401 4.170 -0.001 0.000 0.289 79 I C 0.648 176.794 176.117 0.048 0.000 1.056 79 I CA -0.593 60.734 61.300 0.046 0.000 1.365 79 I CB 1.452 39.471 38.000 0.032 0.000 1.407 79 I HN 0.107 nan 8.210 nan 0.000 0.509 80 V N 7.667 127.613 119.914 0.052 0.000 2.599 80 V HA -0.058 4.062 4.120 -0.001 0.000 0.300 80 V C 0.801 176.911 176.094 0.026 0.000 1.034 80 V CA 0.510 62.831 62.300 0.036 0.000 1.115 80 V CB 1.550 33.386 31.823 0.022 0.000 0.934 80 V HN 0.647 nan 8.190 nan 0.000 0.485 81 V N 4.100 124.027 119.914 0.021 0.000 3.612 81 V HA 0.373 4.493 4.120 -0.001 0.000 0.268 81 V C 0.541 176.644 176.094 0.015 0.000 1.365 81 V CA 0.704 63.015 62.300 0.018 0.000 1.044 81 V CB 0.464 32.299 31.823 0.019 0.000 0.820 81 V HN 0.960 nan 8.190 nan 0.000 0.444 82 E N -1.410 118.797 120.200 0.013 0.000 2.375 82 E HA 0.558 4.908 4.350 -0.001 0.000 0.280 82 E C -0.737 175.869 176.600 0.011 0.000 0.972 82 E CA 0.108 56.516 56.400 0.013 0.000 0.782 82 E CB 2.221 31.929 29.700 0.013 0.000 1.229 82 E HN 0.295 nan 8.360 nan 0.000 0.439 83 G N 2.176 110.987 108.800 0.020 0.000 2.495 83 G HA2 0.421 4.381 3.960 -0.001 0.000 0.294 83 G HA3 0.421 4.381 3.960 -0.001 0.000 0.294 83 G C -2.961 171.971 174.900 0.053 0.000 1.397 83 G CA -0.871 44.250 45.100 0.034 0.000 0.790 83 G HN 0.345 nan 8.290 nan 0.000 0.486 84 P HA 0.319 nan 4.420 nan 0.000 0.262 84 P C 0.812 178.121 177.300 0.016 0.000 1.182 84 P CA 0.905 64.045 63.100 0.066 0.000 0.761 84 P CB 0.636 32.441 31.700 0.174 0.000 0.795 85 D N 2.258 122.627 120.400 -0.053 0.000 2.269 85 D HA -0.143 4.497 4.640 -0.001 0.000 0.208 85 D C 1.265 177.484 176.300 -0.135 0.000 0.963 85 D CA 1.039 55.003 54.000 -0.060 0.000 0.864 85 D CB -0.632 40.136 40.800 -0.053 0.000 0.936 85 D HN 0.714 nan 8.370 nan 0.000 0.505 86 E N -1.316 118.699 120.200 -0.309 0.000 2.463 86 E HA -0.010 4.339 4.350 -0.001 0.000 0.201 86 E C 0.476 176.752 176.600 -0.540 0.000 1.045 86 E CA 0.646 56.745 56.400 -0.503 0.000 0.872 86 E CB -0.272 28.981 29.700 -0.745 0.000 0.797 86 E HN 0.641 nan 8.360 nan 0.000 0.538 87 F N 0.023 119.969 119.950 -0.005 0.000 2.767 87 F HA 0.358 4.884 4.527 -0.001 0.000 0.323 87 F C 1.340 177.139 175.800 -0.002 0.000 1.091 87 F CA -0.178 57.820 58.000 -0.004 0.000 1.192 87 F CB 0.672 39.668 39.000 -0.007 0.000 1.056 87 F HN 0.042 nan 8.300 nan 0.000 0.571 88 G N 1.944 110.820 108.800 0.128 0.000 2.372 88 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.290 88 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.290 88 G C 0.846 175.797 174.900 0.086 0.000 0.965 88 G CA 0.735 45.883 45.100 0.080 0.000 1.263 88 G HN 0.560 nan 8.290 nan 0.000 0.498 89 V N -2.078 117.890 119.914 0.089 0.000 3.471 89 V HA 0.388 4.508 4.120 -0.001 0.000 0.258 89 V C 1.447 177.566 176.094 0.042 0.000 1.192 89 V CA 1.060 63.397 62.300 0.062 0.000 1.116 89 V CB -0.083 31.768 31.823 0.046 0.000 0.792 89 V HN 0.536 nan 8.190 nan 0.000 0.459 90 K N 1.270 121.693 120.400 0.038 0.000 2.524 90 K HA 0.323 4.642 4.320 -0.001 0.000 0.279 90 K C 1.318 177.935 176.600 0.029 0.000 0.993 90 K CA 1.335 57.639 56.287 0.028 0.000 1.030 90 K CB 0.104 32.618 32.500 0.024 0.000 0.891 90 K HN 0.739 nan 8.250 nan 0.000 0.488 91 G N 3.327 112.144 108.800 0.027 0.000 2.241 91 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 91 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 91 G C -0.037 174.881 174.900 0.031 0.000 0.998 91 G CA 0.070 45.186 45.100 0.026 0.000 0.621 91 G HN 0.627 nan 8.290 nan 0.000 0.519 92 R N 0.657 121.180 120.500 0.038 0.000 2.349 92 R HA 0.500 4.840 4.340 -0.001 0.000 0.299 92 R C 0.760 177.097 176.300 0.063 0.000 1.027 92 R CA -0.719 55.409 56.100 0.047 0.000 0.958 92 R CB 0.970 31.300 30.300 0.050 0.000 1.047 92 R HN 0.352 nan 8.270 nan 0.000 0.468 93 R N 1.908 122.444 120.500 0.059 0.000 2.537 93 R HA -0.022 4.317 4.340 -0.001 0.000 0.280 93 R C -0.834 175.538 176.300 0.120 0.000 1.058 93 R CA 0.098 56.239 56.100 0.069 0.000 1.057 93 R CB 0.377 30.700 30.300 0.038 0.000 0.973 93 R HN 0.567 nan 8.270 nan 0.000 0.438 94 H N 1.017 120.092 119.070 0.009 0.000 2.572 94 H HA 0.428 4.984 4.556 -0.001 0.000 0.359 94 H C -1.416 173.916 175.328 0.006 0.000 1.134 94 H CA -0.295 55.757 56.048 0.006 0.000 1.187 94 H CB 1.861 31.629 29.762 0.009 0.000 1.597 94 H HN 0.584 nan 8.280 nan 0.000 0.524 95 S N 2.993 118.443 115.700 -0.417 0.000 2.677 95 S HA 0.456 4.926 4.470 -0.001 0.000 0.283 95 S C -0.785 173.595 174.600 -0.368 0.000 1.159 95 S CA -0.658 57.386 58.200 -0.260 0.000 1.001 95 S CB 1.681 64.794 63.200 -0.144 0.000 1.032 95 S HN 0.764 nan 8.310 nan 0.000 0.487 96 T N 1.215 115.639 114.554 -0.216 0.000 2.618 96 T HA 0.863 5.213 4.350 -0.001 0.000 0.286 96 T C -1.746 172.925 174.700 -0.049 0.000 1.027 96 T CA -0.329 61.689 62.100 -0.137 0.000 1.063 96 T CB 1.368 70.199 68.868 -0.061 0.000 1.440 96 T HN 0.811 nan 8.240 nan 0.000 0.505 97 A N 1.067 123.878 122.820 -0.015 0.000 2.393 97 A HA 0.714 5.034 4.320 -0.001 0.000 0.306 97 A C -0.905 176.691 177.584 0.020 0.000 1.050 97 A CA -0.511 51.527 52.037 0.002 0.000 0.724 97 A CB 1.465 20.460 19.000 -0.007 0.000 1.248 97 A HN 0.686 nan 8.150 nan 0.000 0.424 98 V N 2.622 122.552 119.914 0.028 0.000 2.508 98 V HA 0.384 4.503 4.120 -0.001 0.000 0.281 98 V C 0.554 176.659 176.094 0.018 0.000 1.041 98 V CA 0.242 62.559 62.300 0.027 0.000 1.016 98 V CB 0.793 32.634 31.823 0.029 0.000 0.984 98 V HN 0.935 nan 8.190 nan 0.000 0.478 99 S N 4.571 120.274 115.700 0.006 0.000 2.739 99 S HA 0.641 5.111 4.470 -0.001 0.000 0.306 99 S C -0.104 174.481 174.600 -0.024 0.000 1.115 99 S CA -0.724 57.474 58.200 -0.002 0.000 0.985 99 S CB 1.524 64.722 63.200 -0.003 0.000 1.133 99 S HN 0.526 nan 8.310 nan 0.000 0.541 100 I N 1.947 122.501 120.570 -0.026 0.000 2.668 100 I HA 0.273 4.442 4.170 -0.001 0.000 0.285 100 I C 1.452 177.517 176.117 -0.087 0.000 1.168 100 I CA 0.918 62.186 61.300 -0.053 0.000 1.424 100 I CB -0.154 37.826 38.000 -0.033 0.000 1.377 100 I HN 1.037 nan 8.210 nan 0.000 0.560 101 G N 3.795 112.500 108.800 -0.158 0.000 2.258 101 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.233 101 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.233 101 G C 0.510 175.247 174.900 -0.271 0.000 1.006 101 G CA -0.051 44.914 45.100 -0.225 0.000 0.620 101 G HN 0.537 nan 8.290 nan 0.000 0.511 102 T N 1.565 116.028 114.554 -0.152 0.000 2.829 102 T HA 0.319 4.669 4.350 -0.001 0.000 0.293 102 T C 0.243 174.876 174.700 -0.111 0.000 0.970 102 T CA 0.145 62.204 62.100 -0.069 0.000 1.168 102 T CB 0.177 69.043 68.868 -0.003 0.000 0.911 102 T HN 0.281 nan 8.240 nan 0.000 0.535 103 W N 5.490 126.792 121.300 0.003 0.000 2.216 103 W HA 0.459 5.118 4.660 -0.001 0.000 0.326 103 W C -0.083 176.439 176.519 0.005 0.000 1.319 103 W CA -0.857 56.487 57.345 -0.001 0.000 1.213 103 W CB 0.505 29.965 29.460 -0.001 0.000 1.171 103 W HN 0.326 nan 8.180 nan 0.000 0.557 104 L N 2.013 123.383 121.223 0.245 0.000 2.466 104 L HA 0.750 5.090 4.340 -0.001 0.000 0.258 104 L C -1.352 175.606 176.870 0.146 0.000 0.973 104 L CA -1.440 53.498 54.840 0.165 0.000 0.826 104 L CB 0.617 42.738 42.059 0.104 0.000 1.372 104 L HN 0.144 nan 8.230 nan 0.000 0.409 105 V N 2.354 122.342 119.914 0.122 0.000 2.495 105 V HA 0.750 4.870 4.120 -0.001 0.000 0.298 105 V C -0.186 175.982 176.094 0.125 0.000 1.031 105 V CA -0.620 61.746 62.300 0.110 0.000 0.871 105 V CB 2.237 34.115 31.823 0.092 0.000 0.988 105 V HN 0.721 nan 8.190 nan 0.000 0.432 106 V N 4.690 124.702 119.914 0.164 0.000 2.656 106 V HA 0.678 4.798 4.120 -0.001 0.000 0.307 106 V C -0.681 175.637 176.094 0.373 0.000 1.051 106 V CA -0.308 62.141 62.300 0.249 0.000 0.893 106 V CB 1.899 33.896 31.823 0.289 0.000 0.999 106 V HN 1.004 nan 8.190 nan 0.000 0.426 107 E N 5.731 126.082 120.200 0.252 0.000 2.145 107 E HA 0.439 4.789 4.350 -0.001 0.000 0.262 107 E C -0.780 175.817 176.600 -0.005 0.000 0.883 107 E CA -0.780 55.721 56.400 0.168 0.000 0.748 107 E CB 1.281 31.035 29.700 0.090 0.000 1.140 107 E HN 0.782 nan 8.360 nan 0.000 0.417 108 R N 4.121 124.476 120.500 -0.242 0.000 2.265 108 R HA 0.098 4.438 4.340 -0.001 0.000 0.328 108 R C 0.228 176.319 176.300 -0.348 0.000 0.969 108 R CA -0.321 55.471 56.100 -0.514 0.000 0.832 108 R CB 0.846 30.379 30.300 -1.278 0.000 1.139 108 R HN 0.624 nan 8.270 nan 0.000 0.457 109 D N 3.742 124.011 120.400 -0.218 0.000 2.104 109 D HA -0.188 4.452 4.640 -0.001 0.000 0.194 109 D C 1.869 178.077 176.300 -0.153 0.000 0.994 109 D CA 2.433 56.348 54.000 -0.142 0.000 0.830 109 D CB 0.391 41.131 40.800 -0.101 0.000 0.959 109 D HN 0.664 nan 8.370 nan 0.000 0.452 110 K N 0.039 120.325 120.400 -0.189 0.000 2.360 110 K HA 0.231 4.550 4.320 -0.001 0.000 0.201 110 K C 1.118 177.619 176.600 -0.165 0.000 1.046 110 K CA 1.266 57.458 56.287 -0.158 0.000 0.945 110 K CB -0.976 31.428 32.500 -0.160 0.000 0.750 110 K HN 0.585 nan 8.250 nan 0.000 0.464 111 G N -1.827 106.824 108.800 -0.249 0.000 2.697 111 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.686 111 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.686 111 G C -0.733 174.032 174.900 -0.226 0.000 1.179 111 G CA -0.494 44.494 45.100 -0.187 0.000 0.765 111 G HN 0.569 nan 8.290 nan 0.000 0.649 112 W N 2.650 123.947 121.300 -0.004 0.000 2.433 112 W HA 0.532 5.191 4.660 -0.001 0.000 0.331 112 W C 1.348 177.863 176.519 -0.008 0.000 1.110 112 W CA 0.220 57.562 57.345 -0.006 0.000 1.450 112 W CB 1.190 30.648 29.460 -0.002 0.000 1.348 112 W HN 0.956 nan 8.180 nan 0.000 0.415 113 S N 1.722 117.539 115.700 0.196 0.000 2.572 113 S HA -0.169 4.301 4.470 -0.001 0.000 0.262 113 S C 1.286 175.965 174.600 0.132 0.000 1.375 113 S CA 0.481 58.755 58.200 0.123 0.000 0.996 113 S CB 1.189 64.436 63.200 0.078 0.000 0.892 113 S HN 0.580 nan 8.310 nan 0.000 0.562 114 E N 1.033 121.279 120.200 0.077 0.000 2.250 114 E HA 0.096 4.445 4.350 -0.001 0.000 0.192 114 E C 2.673 179.295 176.600 0.037 0.000 0.986 114 E CA 1.580 58.013 56.400 0.054 0.000 0.849 114 E CB -0.855 28.867 29.700 0.036 0.000 0.797 114 E HN 0.805 nan 8.360 nan 0.000 0.482 115 Q N 0.933 120.755 119.800 0.037 0.000 2.050 115 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 115 Q C 2.038 178.054 176.000 0.028 0.000 0.980 115 Q CA 2.046 57.863 55.803 0.024 0.000 0.840 115 Q CB -0.959 27.791 28.738 0.020 0.000 0.898 115 Q HN 0.539 nan 8.270 nan 0.000 0.424 116 E N 0.158 120.398 120.200 0.066 0.000 2.049 116 E HA -0.157 4.192 4.350 -0.001 0.000 0.198 116 E C 2.013 178.617 176.600 0.007 0.000 1.007 116 E CA 1.286 57.737 56.400 0.085 0.000 0.809 116 E CB -0.176 29.676 29.700 0.253 0.000 0.749 116 E HN 0.423 nan 8.360 nan 0.000 0.450 117 L N 1.054 122.279 121.223 0.003 0.000 2.129 117 L HA -0.219 4.121 4.340 -0.001 0.000 0.212 117 L C 2.233 179.063 176.870 -0.067 0.000 1.087 117 L CA 1.722 56.516 54.840 -0.077 0.000 0.757 117 L CB -0.486 41.545 42.059 -0.046 0.000 0.896 117 L HN 0.173 nan 8.230 nan 0.000 0.434 118 E N -0.971 119.207 120.200 -0.037 0.000 2.075 118 E HA -0.144 4.206 4.350 -0.001 0.000 0.190 118 E C 2.379 178.953 176.600 -0.044 0.000 0.969 118 E CA 0.129 56.504 56.400 -0.041 0.000 0.815 118 E CB 0.035 29.719 29.700 -0.026 0.000 0.776 118 E HN 0.252 nan 8.360 nan 0.000 0.457 119 R N 0.306 120.786 120.500 -0.034 0.000 2.133 119 R HA -0.222 4.117 4.340 -0.001 0.000 0.245 119 R C 2.286 178.557 176.300 -0.049 0.000 1.137 119 R CA 1.670 57.749 56.100 -0.035 0.000 0.947 119 R CB -0.415 29.866 30.300 -0.032 0.000 0.865 119 R HN 0.210 nan 8.270 nan 0.000 0.437 120 L N 0.034 121.214 121.223 -0.072 0.000 2.129 120 L HA -0.164 4.175 4.340 -0.001 0.000 0.212 120 L C 2.084 178.923 176.870 -0.052 0.000 1.087 120 L CA 2.155 56.940 54.840 -0.091 0.000 0.757 120 L CB -0.744 41.222 42.059 -0.154 0.000 0.896 120 L HN 0.318 nan 8.230 nan 0.000 0.434 121 A N -2.290 120.503 122.820 -0.045 0.000 2.348 121 A HA 0.428 4.748 4.320 -0.001 0.000 0.224 121 A C 2.277 179.821 177.584 -0.066 0.000 1.227 121 A CA 0.673 52.695 52.037 -0.024 0.000 0.885 121 A CB -0.358 18.605 19.000 -0.062 0.000 0.933 121 A HN 0.290 nan 8.150 nan 0.000 0.506 122 A N 0.620 123.415 122.820 -0.043 0.000 1.865 122 A HA 0.193 4.513 4.320 -0.001 0.000 0.217 122 A C 1.821 179.403 177.584 -0.002 0.000 1.191 122 A CA 1.131 53.149 52.037 -0.032 0.000 0.623 122 A CB -1.559 17.435 19.000 -0.009 0.000 0.826 122 A HN 1.195 nan 8.150 nan 0.000 0.444 123 G N 0.147 108.967 108.800 0.033 0.000 2.280 123 G HA2 0.341 4.300 3.960 -0.001 0.000 0.273 123 G HA3 0.341 4.300 3.960 -0.001 0.000 0.273 123 G C 0.357 175.306 174.900 0.082 0.000 0.778 123 G CA 0.572 45.711 45.100 0.066 0.000 1.067 123 G HN 0.971 nan 8.290 nan 0.000 0.325 124 R N 1.577 122.115 120.500 0.064 0.000 2.582 124 R HA 0.721 5.061 4.340 -0.001 0.000 0.271 124 R C 0.982 177.323 176.300 0.069 0.000 1.078 124 R CA 0.063 56.203 56.100 0.066 0.000 1.127 124 R CB 0.605 30.932 30.300 0.044 0.000 1.038 124 R HN 1.615 nan 8.270 nan 0.000 0.500 125 A N 2.197 125.054 122.820 0.063 0.000 2.916 125 A HA 0.285 4.605 4.320 -0.001 0.000 0.254 125 A C 0.750 178.368 177.584 0.057 0.000 1.544 125 A CA -0.283 51.790 52.037 0.059 0.000 1.224 125 A CB -0.684 18.342 19.000 0.044 0.000 1.012 125 A HN 0.747 nan 8.150 nan 0.000 0.636 126 R N -0.328 120.204 120.500 0.053 0.000 2.638 126 R HA 0.236 4.575 4.340 -0.001 0.000 0.268 126 R C 1.358 177.685 176.300 0.044 0.000 1.006 126 R CA 1.304 57.427 56.100 0.037 0.000 1.088 126 R CB 0.432 30.746 30.300 0.024 0.000 0.950 126 R HN 0.479 nan 8.270 nan 0.000 0.419 127 G N 0.794 109.614 108.800 0.034 0.000 2.992 127 G HA2 0.162 4.122 3.960 -0.001 0.000 0.195 127 G HA3 0.162 4.122 3.960 -0.001 0.000 0.195 127 G C -0.584 174.338 174.900 0.036 0.000 2.032 127 G CA 0.202 45.332 45.100 0.051 0.000 0.831 127 G HN 0.553 nan 8.290 nan 0.000 0.647 128 T N -0.899 113.677 114.554 0.038 0.000 2.894 128 T HA 0.639 4.988 4.350 -0.001 0.000 0.309 128 T C -1.303 173.400 174.700 0.005 0.000 1.208 128 T CA 0.331 62.453 62.100 0.037 0.000 1.016 128 T CB 1.780 70.710 68.868 0.104 0.000 1.192 128 T HN 0.916 nan 8.240 nan 0.000 0.491 129 A N 1.408 124.212 122.820 -0.027 0.000 2.515 129 A HA 0.908 5.228 4.320 -0.001 0.000 0.296 129 A C -0.878 176.658 177.584 -0.080 0.000 1.094 129 A CA -0.709 51.304 52.037 -0.041 0.000 0.718 129 A CB 1.385 20.361 19.000 -0.040 0.000 1.307 129 A HN 1.155 nan 8.150 nan 0.000 0.408 130 V N -0.939 118.932 119.914 -0.072 0.000 2.715 130 V HA 0.860 4.979 4.120 -0.001 0.000 0.310 130 V C -0.602 175.445 176.094 -0.079 0.000 1.054 130 V CA -0.692 61.548 62.300 -0.101 0.000 0.928 130 V CB 1.325 33.096 31.823 -0.087 0.000 1.007 130 V HN 0.702 nan 8.190 nan 0.000 0.437 131 I N 2.950 123.461 120.570 -0.099 0.000 2.498 131 I HA 0.857 5.027 4.170 -0.001 0.000 0.290 131 I C 0.087 176.136 176.117 -0.113 0.000 1.032 131 I CA -0.752 60.496 61.300 -0.087 0.000 1.073 131 I CB 1.897 39.845 38.000 -0.087 0.000 1.251 131 I HN 0.972 nan 8.210 nan 0.000 0.426 132 A N 4.497 127.264 122.820 -0.089 0.000 2.423 132 A HA 0.993 5.312 4.320 -0.001 0.000 0.304 132 A C -1.085 176.443 177.584 -0.094 0.000 1.104 132 A CA -0.651 51.304 52.037 -0.136 0.000 0.757 132 A CB 1.986 20.985 19.000 -0.002 0.000 1.313 132 A HN 0.851 nan 8.150 nan 0.000 0.423 133 A N 0.507 123.242 122.820 -0.141 0.000 2.398 133 A HA 0.688 5.007 4.320 -0.001 0.000 0.301 133 A C -1.263 176.338 177.584 0.028 0.000 1.041 133 A CA -0.426 51.580 52.037 -0.051 0.000 0.711 133 A CB 1.358 20.319 19.000 -0.065 0.000 1.240 133 A HN 1.448 nan 8.150 nan 0.000 0.420 134 V N 2.913 122.877 119.914 0.084 0.000 2.638 134 V HA 0.667 4.787 4.120 -0.001 0.000 0.306 134 V C -0.867 175.259 176.094 0.053 0.000 1.052 134 V CA -0.570 61.815 62.300 0.142 0.000 0.885 134 V CB 1.706 33.559 31.823 0.050 0.000 0.999 134 V HN 1.121 nan 8.190 nan 0.000 0.424 135 D N 1.917 122.379 120.400 0.102 0.000 2.781 135 D HA 0.322 4.962 4.640 -0.001 0.000 0.295 135 D C 0.244 176.587 176.300 0.072 0.000 1.143 135 D CA -0.715 53.301 54.000 0.026 0.000 1.076 135 D CB 0.830 41.677 40.800 0.077 0.000 1.444 135 D HN 0.226 nan 8.370 nan 0.000 0.567 136 Y N -0.149 120.235 120.300 0.140 0.000 2.497 136 Y HA 0.021 4.570 4.550 -0.000 0.000 0.292 136 Y C 1.289 177.177 175.900 -0.021 0.000 1.137 136 Y CA 1.437 59.586 58.100 0.082 0.000 1.285 136 Y CB -0.051 38.433 38.460 0.040 0.000 0.991 136 Y HN 0.369 nan 8.280 nan 0.000 0.556 137 D N -0.969 119.509 120.400 0.130 0.000 2.379 137 D HA 0.054 4.694 4.640 -0.001 0.000 0.218 137 D C 0.252 176.583 176.300 0.050 0.000 1.006 137 D CA 0.377 54.405 54.000 0.046 0.000 0.893 137 D CB 0.353 41.182 40.800 0.049 0.000 1.019 137 D HN 0.318 nan 8.370 nan 0.000 0.503 138 E N -0.466 119.812 120.200 0.130 0.000 2.317 138 E HA 0.518 4.868 4.350 -0.001 0.000 0.270 138 E C -1.696 175.090 176.600 0.310 0.000 0.885 138 E CA -0.754 55.744 56.400 0.163 0.000 0.760 138 E CB 2.951 32.704 29.700 0.088 0.000 1.227 138 E HN -0.038 nan 8.360 nan 0.000 0.434 139 F N 1.610 121.643 119.950 0.139 0.000 2.561 139 F HA 0.730 5.257 4.527 -0.001 0.000 0.313 139 F C -1.544 174.279 175.800 0.038 0.000 1.126 139 F CA -0.422 57.635 58.000 0.096 0.000 0.918 139 F CB 1.292 40.372 39.000 0.133 0.000 1.199 139 F HN 0.545 nan 8.300 nan 0.000 0.444 140 A N 5.411 127.716 122.820 -0.859 0.000 2.498 140 A HA 0.850 5.169 4.320 -0.001 0.000 0.298 140 A C -2.469 174.542 177.584 -0.955 0.000 1.075 140 A CA -0.716 50.861 52.037 -0.767 0.000 0.714 140 A CB 1.892 20.695 19.000 -0.329 0.000 1.299 140 A HN 1.024 nan 8.150 nan 0.000 0.407 141 L N 0.789 121.639 121.223 -0.623 0.000 2.436 141 L HA 0.918 5.258 4.340 -0.001 0.000 0.268 141 L C -0.421 176.301 176.870 -0.247 0.000 0.974 141 L CA -0.090 54.512 54.840 -0.397 0.000 0.826 141 L CB 1.660 43.563 42.059 -0.259 0.000 1.291 141 L HN 1.453 nan 8.230 nan 0.000 0.406 142 A N 3.668 126.360 122.820 -0.213 0.000 2.454 142 A HA 0.825 5.145 4.320 -0.001 0.000 0.302 142 A C -1.589 175.838 177.584 -0.261 0.000 1.079 142 A CA -0.419 51.488 52.037 -0.217 0.000 0.731 142 A CB 1.987 20.883 19.000 -0.173 0.000 1.299 142 A HN 1.118 nan 8.150 nan 0.000 0.413 143 V N 2.772 122.449 119.914 -0.395 0.000 2.483 143 V HA 0.681 4.800 4.120 -0.001 0.000 0.295 143 V C -1.301 174.607 176.094 -0.311 0.000 1.035 143 V CA -0.725 61.269 62.300 -0.511 0.000 0.896 143 V CB 1.282 32.456 31.823 -1.081 0.000 0.986 143 V HN 0.798 nan 8.190 nan 0.000 0.447 144 L N 6.031 127.173 121.223 -0.135 0.000 2.362 144 L HA 0.925 5.264 4.340 -0.001 0.000 0.275 144 L C 0.098 176.982 176.870 0.023 0.000 0.998 144 L CA -0.022 54.809 54.840 -0.015 0.000 0.820 144 L CB 1.268 43.288 42.059 -0.065 0.000 1.270 144 L HN 0.944 nan 8.230 nan 0.000 0.415 145 A N 2.256 125.042 122.820 -0.056 0.000 2.483 145 A HA 0.685 5.004 4.320 -0.001 0.000 0.286 145 A C 0.931 178.237 177.584 -0.463 0.000 1.207 145 A CA 0.085 51.929 52.037 -0.323 0.000 0.764 145 A CB 0.900 19.501 19.000 -0.665 0.000 1.341 145 A HN 0.786 nan 8.150 nan 0.000 0.428 146 G N -0.452 108.053 108.800 -0.492 0.000 2.469 146 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.220 146 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.220 146 G C 0.987 175.551 174.900 -0.560 0.000 1.136 146 G CA 1.629 46.507 45.100 -0.369 0.000 0.759 146 G HN 0.973 nan 8.290 nan 0.000 0.562 147 H N -0.578 118.091 119.070 -0.668 0.000 2.622 147 H HA 0.389 4.945 4.556 -0.001 0.000 0.269 147 H C 0.963 175.806 175.328 -0.808 0.000 0.977 147 H CA 0.492 55.772 56.048 -1.281 0.000 1.179 147 H CB 0.527 29.234 29.762 -1.757 0.000 1.458 147 H HN 0.388 nan 8.280 nan 0.000 0.531 148 G N 0.412 108.863 108.800 -0.582 0.000 2.559 148 G HA2 0.465 4.424 3.960 -0.001 0.000 0.291 148 G HA3 0.465 4.424 3.960 -0.001 0.000 0.291 148 G C -1.783 173.106 174.900 -0.018 0.000 1.424 148 G CA -0.874 44.064 45.100 -0.271 0.000 0.786 148 G HN 0.231 nan 8.290 nan 0.000 0.485 149 M N 0.673 120.371 119.600 0.163 0.000 2.322 149 M HA 0.691 5.170 4.480 -0.001 0.000 0.286 149 M C -2.027 174.370 176.300 0.161 0.000 1.111 149 M CA -0.773 54.639 55.300 0.187 0.000 0.941 149 M CB 2.233 34.852 32.600 0.031 0.000 1.671 149 M HN 0.483 nan 8.290 nan 0.000 0.470 150 K N 5.212 125.613 120.400 0.002 0.000 2.471 150 K HA 0.459 4.778 4.320 -0.001 0.000 0.252 150 K C -1.345 175.155 176.600 -0.166 0.000 0.938 150 K CA -0.735 55.504 56.287 -0.079 0.000 0.796 150 K CB 1.558 33.946 32.500 -0.188 0.000 1.161 150 K HN 0.717 nan 8.250 nan 0.000 0.425 151 I N 6.426 126.933 120.570 -0.105 0.000 2.533 151 I HA 0.003 4.172 4.170 -0.001 0.000 0.284 151 I C 1.137 177.183 176.117 -0.118 0.000 1.109 151 I CA 0.319 61.549 61.300 -0.118 0.000 1.412 151 I CB 0.750 38.699 38.000 -0.085 0.000 1.396 151 I HN 0.763 nan 8.210 nan 0.000 0.543 152 L N 4.368 125.510 121.223 -0.136 0.000 2.470 152 L HA 0.206 4.545 4.340 -0.001 0.000 0.219 152 L C 0.412 177.250 176.870 -0.053 0.000 1.071 152 L CA 0.312 55.096 54.840 -0.094 0.000 0.850 152 L CB 0.217 42.216 42.059 -0.099 0.000 1.040 152 L HN 0.561 nan 8.230 nan 0.000 0.475 153 E N -0.206 119.943 120.200 -0.084 0.000 2.321 153 E HA 0.353 4.702 4.350 -0.001 0.000 0.278 153 E C -1.755 174.784 176.600 -0.101 0.000 0.902 153 E CA -0.430 55.945 56.400 -0.042 0.000 0.758 153 E CB 1.924 31.656 29.700 0.052 0.000 1.213 153 E HN -0.125 nan 8.360 nan 0.000 0.426 154 D N 2.135 122.519 120.400 -0.027 0.000 2.890 154 D HA 0.519 5.158 4.640 -0.001 0.000 0.233 154 D C -1.666 174.659 176.300 0.041 0.000 1.306 154 D CA -0.188 53.795 54.000 -0.028 0.000 0.929 154 D CB 1.751 42.532 40.800 -0.032 0.000 1.512 154 D HN 0.311 nan 8.370 nan 0.000 0.568 155 T N 1.844 116.448 114.554 0.083 0.000 3.705 155 T HA 0.242 4.592 4.350 -0.001 0.000 0.342 155 T C -0.806 173.972 174.700 0.131 0.000 1.043 155 T CA -0.511 61.666 62.100 0.130 0.000 1.071 155 T CB 1.012 70.013 68.868 0.221 0.000 1.124 155 T HN 0.148 nan 8.240 nan 0.000 0.467 156 S N 2.470 118.210 115.700 0.067 0.000 2.549 156 S HA 0.442 4.912 4.470 -0.001 0.000 0.283 156 S C 0.679 175.272 174.600 -0.012 0.000 1.320 156 S CA -0.635 57.583 58.200 0.030 0.000 1.058 156 S CB 0.682 63.886 63.200 0.006 0.000 0.882 156 S HN 0.862 nan 8.310 nan 0.000 0.498 157 A N 4.105 126.851 122.820 -0.124 0.000 2.666 157 A HA 0.270 4.590 4.320 -0.001 0.000 0.312 157 A C 0.557 177.989 177.584 -0.254 0.000 1.471 157 A CA -0.500 51.301 52.037 -0.394 0.000 1.134 157 A CB -0.284 18.038 19.000 -1.130 0.000 1.129 157 A HN 0.798 nan 8.150 nan 0.000 0.539 158 R N 1.870 122.285 120.500 -0.142 0.000 4.886 158 R HA 0.090 4.430 4.340 -0.001 0.000 0.181 158 R C -0.365 175.878 176.300 -0.095 0.000 1.989 158 R CA -0.226 55.821 56.100 -0.088 0.000 1.623 158 R CB -0.540 29.732 30.300 -0.047 0.000 1.383 158 R HN 0.557 nan 8.270 nan 0.000 0.847 159 L N 1.403 122.547 121.223 -0.131 0.000 2.464 159 L HA 0.234 4.574 4.340 -0.001 0.000 0.264 159 L C -1.588 175.251 176.870 -0.052 0.000 1.199 159 L CA -1.992 52.788 54.840 -0.099 0.000 0.818 159 L CB 0.117 42.111 42.059 -0.109 0.000 1.102 159 L HN 0.193 nan 8.230 nan 0.000 0.473 160 P HA 0.225 nan 4.420 nan 0.000 0.271 160 P C -0.289 176.992 177.300 -0.031 0.000 1.244 160 P CA -0.458 62.626 63.100 -0.027 0.000 0.793 160 P CB 0.244 31.933 31.700 -0.019 0.000 0.984 161 G N 0.400 109.181 108.800 -0.032 0.000 2.667 161 G HA2 0.089 4.049 3.960 -0.001 0.000 0.250 161 G HA3 0.089 4.049 3.960 -0.001 0.000 0.250 161 G C 0.853 175.724 174.900 -0.047 0.000 1.212 161 G CA -0.418 44.657 45.100 -0.041 0.000 0.874 161 G HN 0.651 nan 8.290 nan 0.000 0.561 162 K N -0.708 119.653 120.400 -0.065 0.000 2.211 162 K HA -0.112 4.208 4.320 -0.001 0.000 0.203 162 K C 1.389 177.960 176.600 -0.049 0.000 1.050 162 K CA 1.779 58.021 56.287 -0.076 0.000 0.945 162 K CB -0.082 32.352 32.500 -0.110 0.000 0.732 162 K HN 0.523 nan 8.250 nan 0.000 0.451 163 D N 1.313 121.690 120.400 -0.039 0.000 2.183 163 D HA -0.187 4.453 4.640 -0.001 0.000 0.203 163 D C 0.410 176.697 176.300 -0.021 0.000 0.969 163 D CA 0.478 54.461 54.000 -0.028 0.000 0.842 163 D CB -0.898 39.888 40.800 -0.024 0.000 0.957 163 D HN 0.179 nan 8.370 nan 0.000 0.484 164 D N 2.489 122.876 120.400 -0.021 0.000 2.658 164 D HA -0.025 4.615 4.640 -0.001 0.000 0.230 164 D C -2.103 174.191 176.300 -0.011 0.000 1.118 164 D CA -0.552 53.438 54.000 -0.015 0.000 0.848 164 D CB 0.819 41.610 40.800 -0.016 0.000 1.160 164 D HN 0.051 nan 8.370 nan 0.000 0.497 165 P HA 0.015 nan 4.420 nan 0.000 0.272 165 P C -0.164 177.134 177.300 -0.002 0.000 1.223 165 P CA 0.030 63.127 63.100 -0.005 0.000 0.784 165 P CB 0.456 32.153 31.700 -0.005 0.000 0.923 166 S N 0.328 116.028 115.700 0.001 0.000 3.550 166 S HA -0.256 4.213 4.470 -0.001 0.000 0.372 166 S C 1.195 175.800 174.600 0.008 0.000 0.966 166 S CA 0.718 58.921 58.200 0.005 0.000 1.229 166 S CB -1.639 61.563 63.200 0.004 0.000 0.917 166 S HN 0.624 nan 8.310 nan 0.000 0.496 167 R N 0.794 121.299 120.500 0.008 0.000 2.127 167 R HA 0.068 4.408 4.340 -0.001 0.000 0.217 167 R C 2.208 178.528 176.300 0.034 0.000 1.074 167 R CA 1.197 57.305 56.100 0.014 0.000 0.991 167 R CB -0.311 29.990 30.300 0.001 0.000 0.895 167 R HN 0.847 nan 8.270 nan 0.000 0.450 168 E N 0.505 120.723 120.200 0.029 0.000 2.058 168 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 168 E C 1.877 178.502 176.600 0.042 0.000 0.997 168 E CA 1.308 57.732 56.400 0.040 0.000 0.801 168 E CB 0.082 29.798 29.700 0.027 0.000 0.746 168 E HN 0.312 nan 8.360 nan 0.000 0.450 169 Q N 0.089 119.906 119.800 0.029 0.000 2.046 169 Q HA -0.217 4.122 4.340 -0.001 0.000 0.200 169 Q C 2.011 178.033 176.000 0.036 0.000 0.975 169 Q CA 1.527 57.346 55.803 0.026 0.000 0.836 169 Q CB 0.028 28.776 28.738 0.016 0.000 0.896 169 Q HN 0.095 nan 8.270 nan 0.000 0.428 170 E N -0.225 119.997 120.200 0.037 0.000 2.110 170 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 170 E C 1.870 178.519 176.600 0.082 0.000 0.988 170 E CA 1.286 57.711 56.400 0.041 0.000 0.804 170 E CB -0.120 29.593 29.700 0.020 0.000 0.745 170 E HN 0.371 nan 8.360 nan 0.000 0.458 171 V N -1.047 118.933 119.914 0.110 0.000 2.548 171 V HA -0.141 3.978 4.120 -0.001 0.000 0.249 171 V C 1.711 177.890 176.094 0.141 0.000 1.055 171 V CA 1.782 64.196 62.300 0.190 0.000 1.065 171 V CB -0.372 31.597 31.823 0.244 0.000 0.681 171 V HN 0.167 nan 8.190 nan 0.000 0.462 172 E N 0.692 120.940 120.200 0.079 0.000 2.085 172 E HA -0.243 4.107 4.350 -0.001 0.000 0.194 172 E C 2.250 178.862 176.600 0.020 0.000 0.994 172 E CA 1.845 58.266 56.400 0.035 0.000 0.801 172 E CB -0.201 29.513 29.700 0.023 0.000 0.743 172 E HN 0.666 nan 8.360 nan 0.000 0.453 173 K N 0.140 120.565 120.400 0.041 0.000 2.057 173 K HA -0.163 4.157 4.320 -0.001 0.000 0.206 173 K C 2.057 178.686 176.600 0.049 0.000 1.050 173 K CA 1.145 57.450 56.287 0.030 0.000 0.935 173 K CB -0.303 32.218 32.500 0.035 0.000 0.715 173 K HN 0.220 nan 8.250 nan 0.000 0.439 174 Y N 1.399 121.659 120.300 -0.066 0.000 2.081 174 Y HA -0.332 4.217 4.550 -0.001 0.000 0.280 174 Y C 2.208 178.007 175.900 -0.168 0.000 1.163 174 Y CA 1.523 59.561 58.100 -0.103 0.000 1.135 174 Y CB -0.077 38.340 38.460 -0.070 0.000 0.970 174 Y HN -0.029 nan 8.280 nan 0.000 0.498 175 V N -1.298 118.461 119.914 -0.257 0.000 2.427 175 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 175 V C 1.769 177.692 176.094 -0.286 0.000 1.051 175 V CA 2.274 64.345 62.300 -0.381 0.000 1.048 175 V CB -0.656 31.025 31.823 -0.236 0.000 0.666 175 V HN 0.371 nan 8.190 nan 0.000 0.456 176 D N 0.370 120.669 120.400 -0.169 0.000 2.123 176 D HA -0.161 4.479 4.640 -0.001 0.000 0.196 176 D C 2.375 178.581 176.300 -0.157 0.000 0.992 176 D CA 1.796 55.718 54.000 -0.129 0.000 0.833 176 D CB -0.249 40.507 40.800 -0.072 0.000 0.954 176 D HN 0.475 nan 8.370 nan 0.000 0.455 177 R N 0.348 120.747 120.500 -0.169 0.000 2.073 177 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 177 R C 2.256 178.366 176.300 -0.317 0.000 1.134 177 R CA 1.352 57.347 56.100 -0.176 0.000 0.952 177 R CB -0.164 30.069 30.300 -0.112 0.000 0.850 177 R HN 0.090 nan 8.270 nan 0.000 0.433 178 A N 0.604 123.090 122.820 -0.558 0.000 1.877 178 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 178 A C 2.300 179.630 177.584 -0.424 0.000 1.186 178 A CA 1.720 53.215 52.037 -0.904 0.000 0.620 178 A CB -0.695 17.581 19.000 -1.206 0.000 0.822 178 A HN 0.461 nan 8.150 nan 0.000 0.443 179 A N -0.421 122.231 122.820 -0.281 0.000 1.902 179 A HA 0.024 4.343 4.320 -0.001 0.000 0.217 179 A C 2.406 179.933 177.584 -0.095 0.000 1.181 179 A CA 2.942 54.892 52.037 -0.146 0.000 0.623 179 A CB -0.997 17.931 19.000 -0.120 0.000 0.818 179 A HN 0.722 nan 8.150 nan 0.000 0.443 180 K N 0.143 120.482 120.400 -0.103 0.000 2.063 180 K HA -0.171 4.149 4.320 -0.001 0.000 0.208 180 K C 2.091 178.672 176.600 -0.032 0.000 1.048 180 K CA 1.703 57.954 56.287 -0.059 0.000 0.928 180 K CB -0.768 31.698 32.500 -0.056 0.000 0.713 180 K HN 0.587 nan 8.250 nan 0.000 0.442 181 R N -0.140 120.339 120.500 -0.034 0.000 2.081 181 R HA 0.033 4.372 4.340 -0.001 0.000 0.235 181 R C 2.447 178.787 176.300 0.067 0.000 1.131 181 R CA 1.607 57.731 56.100 0.041 0.000 0.960 181 R CB -0.700 29.672 30.300 0.121 0.000 0.856 181 R HN 0.547 nan 8.270 nan 0.000 0.436 182 I N 0.634 121.244 120.570 0.068 0.000 2.226 182 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 182 I C 2.445 178.580 176.117 0.031 0.000 1.100 182 I CA 1.061 62.402 61.300 0.068 0.000 1.374 182 I CB -0.326 37.712 38.000 0.063 0.000 1.057 182 I HN -0.105 nan 8.210 nan 0.000 0.413 183 V N 0.819 120.739 119.914 0.011 0.000 2.255 183 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 183 V C 2.373 178.474 176.094 0.012 0.000 1.051 183 V CA 2.059 64.362 62.300 0.005 0.000 1.018 183 V CB -0.754 31.064 31.823 -0.009 0.000 0.641 183 V HN 0.444 nan 8.190 nan 0.000 0.445 184 E N -0.224 119.983 120.200 0.012 0.000 2.049 184 E HA -0.242 4.108 4.350 -0.001 0.000 0.198 184 E C 2.302 178.916 176.600 0.024 0.000 1.007 184 E CA 1.499 57.905 56.400 0.010 0.000 0.809 184 E CB -0.194 29.511 29.700 0.009 0.000 0.749 184 E HN 0.590 nan 8.360 nan 0.000 0.450 185 E N 0.410 120.642 120.200 0.054 0.000 2.106 185 E HA -0.122 4.228 4.350 -0.001 0.000 0.192 185 E C 2.065 178.763 176.600 0.163 0.000 0.984 185 E CA 0.899 57.374 56.400 0.125 0.000 0.806 185 E CB -0.265 29.498 29.700 0.105 0.000 0.750 185 E HN 0.247 nan 8.360 nan 0.000 0.458 186 A N 1.884 124.751 122.820 0.078 0.000 1.883 186 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 186 A C 2.461 180.082 177.584 0.060 0.000 1.186 186 A CA 2.229 54.303 52.037 0.063 0.000 0.624 186 A CB -0.715 18.302 19.000 0.028 0.000 0.822 186 A HN 0.272 nan 8.150 nan 0.000 0.444 187 A N -0.085 122.754 122.820 0.031 0.000 1.841 187 A HA -0.239 4.081 4.320 -0.001 0.000 0.216 187 A C 2.210 179.783 177.584 -0.018 0.000 1.199 187 A CA 2.262 54.303 52.037 0.008 0.000 0.621 187 A CB -0.658 18.339 19.000 -0.005 0.000 0.835 187 A HN 0.550 nan 8.150 nan 0.000 0.445 188 R N -1.192 119.273 120.500 -0.057 0.000 2.154 188 R HA -0.224 4.116 4.340 -0.001 0.000 0.248 188 R C 1.273 177.389 176.300 -0.306 0.000 1.155 188 R CA 2.268 58.246 56.100 -0.204 0.000 0.979 188 R CB -0.370 29.757 30.300 -0.288 0.000 0.869 188 R HN 0.766 nan 8.270 nan 0.000 0.452 189 H N -0.825 118.238 119.070 -0.012 0.000 2.755 189 H HA 0.345 4.901 4.556 -0.001 0.000 0.273 189 H C -0.207 175.134 175.328 0.023 0.000 1.055 189 H CA -0.192 55.860 56.048 0.006 0.000 1.191 189 H CB 0.833 30.581 29.762 -0.024 0.000 1.536 189 H HN 0.034 nan 8.280 nan 0.000 0.529 190 R N -0.032 120.526 120.500 0.095 0.000 3.532 190 R HA -0.127 4.213 4.340 -0.001 0.000 0.284 190 R C -0.773 175.568 176.300 0.068 0.000 1.140 190 R CA 0.320 56.460 56.100 0.066 0.000 0.768 190 R CB -3.070 27.267 30.300 0.062 0.000 1.252 190 R HN 0.185 nan 8.270 nan 0.000 0.454 191 S N 1.707 117.448 115.700 0.068 0.000 2.481 191 S HA 0.244 4.714 4.470 -0.001 0.000 0.276 191 S C -0.967 173.647 174.600 0.024 0.000 1.247 191 S CA -1.000 57.225 58.200 0.041 0.000 1.053 191 S CB 1.282 64.498 63.200 0.027 0.000 0.925 191 S HN 0.101 nan 8.310 nan 0.000 0.491 192 P HA 0.177 nan 4.420 nan 0.000 0.231 192 P C -0.240 177.063 177.300 0.004 0.000 1.168 192 P CA 0.680 63.786 63.100 0.010 0.000 0.779 192 P CB 0.124 31.830 31.700 0.010 0.000 0.844 193 I N -1.081 119.488 120.570 -0.000 0.000 2.647 193 I HA 0.638 4.807 4.170 -0.001 0.000 0.295 193 I C -0.757 175.353 176.117 -0.013 0.000 1.078 193 I CA -1.364 59.931 61.300 -0.007 0.000 1.048 193 I CB 2.533 40.526 38.000 -0.011 0.000 1.239 193 I HN -0.307 nan 8.210 nan 0.000 0.421 194 A N 5.391 128.203 122.820 -0.013 0.000 2.457 194 A HA 0.694 5.013 4.320 -0.001 0.000 0.283 194 A C -0.948 176.626 177.584 -0.018 0.000 1.166 194 A CA -0.484 51.544 52.037 -0.016 0.000 0.740 194 A CB 1.157 20.152 19.000 -0.008 0.000 1.181 194 A HN 0.416 nan 8.150 nan 0.000 0.446 195 V N 4.145 124.044 119.914 -0.025 0.000 2.406 195 V HA 0.356 4.476 4.120 -0.001 0.000 0.272 195 V C -0.108 175.973 176.094 -0.023 0.000 1.043 195 V CA 0.021 62.306 62.300 -0.024 0.000 0.915 195 V CB 0.931 32.736 31.823 -0.030 0.000 0.988 195 V HN 0.711 nan 8.190 nan 0.000 0.466 196 I N 4.859 125.420 120.570 -0.015 0.000 2.382 196 I HA 0.683 4.852 4.170 -0.001 0.000 0.285 196 I C 0.343 176.454 176.117 -0.010 0.000 1.007 196 I CA -0.245 61.051 61.300 -0.007 0.000 1.142 196 I CB 1.524 39.523 38.000 -0.002 0.000 1.289 196 I HN 0.677 nan 8.210 nan 0.000 0.453 197 A N 4.690 127.503 122.820 -0.012 0.000 2.313 197 A HA 1.037 5.356 4.320 -0.001 0.000 0.323 197 A C 0.028 177.608 177.584 -0.008 0.000 1.133 197 A CA -0.386 51.642 52.037 -0.014 0.000 0.847 197 A CB 1.664 20.650 19.000 -0.023 0.000 1.308 197 A HN 0.911 nan 8.150 nan 0.000 0.475 198 G N -0.573 108.224 108.800 -0.006 0.000 2.345 198 G HA2 0.414 4.374 3.960 -0.001 0.000 0.310 198 G HA3 0.414 4.374 3.960 -0.001 0.000 0.310 198 G C -3.602 171.301 174.900 0.005 0.000 1.476 198 G CA -0.469 44.631 45.100 -0.000 0.000 0.978 198 G HN 0.668 nan 8.290 nan 0.000 0.656 199 P HA 0.535 nan 4.420 nan 0.000 0.285 199 P C 0.963 178.284 177.300 0.034 0.000 1.259 199 P CA 1.404 64.523 63.100 0.031 0.000 0.794 199 P CB 1.355 33.086 31.700 0.051 0.000 0.940 200 G N 3.724 112.546 108.800 0.037 0.000 2.593 200 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.237 200 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.237 200 G C 0.652 175.565 174.900 0.022 0.000 1.312 200 G CA 0.087 45.215 45.100 0.047 0.000 0.896 200 G HN 0.465 nan 8.290 nan 0.000 0.574 201 Q N -0.372 119.448 119.800 0.033 0.000 2.311 201 Q HA 0.258 4.598 4.340 -0.001 0.000 0.203 201 Q C 2.893 178.874 176.000 -0.031 0.000 0.954 201 Q CA 0.847 56.656 55.803 0.011 0.000 0.885 201 Q CB 0.020 28.778 28.738 0.034 0.000 0.963 201 Q HN 0.537 nan 8.270 nan 0.000 0.471 202 L N 1.433 122.607 121.223 -0.082 0.000 2.021 202 L HA -0.308 4.032 4.340 -0.001 0.000 0.215 202 L C 2.507 179.306 176.870 -0.119 0.000 1.074 202 L CA 1.931 56.678 54.840 -0.155 0.000 0.760 202 L CB -0.554 41.333 42.059 -0.286 0.000 0.889 202 L HN 0.292 nan 8.230 nan 0.000 0.433 203 K N -0.469 119.883 120.400 -0.081 0.000 2.152 203 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 203 K C 1.881 178.451 176.600 -0.049 0.000 1.048 203 K CA 1.898 58.152 56.287 -0.056 0.000 0.933 203 K CB -0.685 31.797 32.500 -0.030 0.000 0.721 203 K HN 0.435 nan 8.250 nan 0.000 0.447 204 T N -1.610 112.919 114.554 -0.042 0.000 2.894 204 T HA 0.018 4.368 4.350 -0.001 0.000 0.258 204 T C 2.116 176.791 174.700 -0.041 0.000 1.043 204 T CA 1.081 63.161 62.100 -0.032 0.000 1.141 204 T CB -0.326 68.531 68.868 -0.019 0.000 0.873 204 T HN 0.208 nan 8.240 nan 0.000 0.449 205 S N 1.425 117.095 115.700 -0.050 0.000 2.359 205 S HA -0.115 4.355 4.470 -0.001 0.000 0.223 205 S C 2.180 176.732 174.600 -0.081 0.000 1.039 205 S CA 1.447 59.611 58.200 -0.059 0.000 1.042 205 S CB -0.846 62.315 63.200 -0.065 0.000 0.915 205 S HN 0.395 nan 8.310 nan 0.000 0.439 206 V N 2.130 121.979 119.914 -0.109 0.000 2.237 206 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 206 V C 2.707 178.754 176.094 -0.078 0.000 1.046 206 V CA 1.775 64.000 62.300 -0.125 0.000 1.007 206 V CB -1.416 30.314 31.823 -0.154 0.000 0.638 206 V HN 0.559 nan 8.190 nan 0.000 0.445 207 A N -0.251 122.536 122.820 -0.055 0.000 1.896 207 A HA -0.359 3.961 4.320 -0.001 0.000 0.220 207 A C 2.125 179.688 177.584 -0.034 0.000 1.206 207 A CA 2.530 54.545 52.037 -0.036 0.000 0.647 207 A CB -0.768 18.215 19.000 -0.027 0.000 0.828 207 A HN 0.676 nan 8.150 nan 0.000 0.455 208 E N -0.438 119.741 120.200 -0.035 0.000 2.070 208 E HA -0.237 4.113 4.350 -0.001 0.000 0.197 208 E C 2.139 178.719 176.600 -0.032 0.000 1.004 208 E CA 1.574 57.957 56.400 -0.029 0.000 0.805 208 E CB -0.218 29.466 29.700 -0.027 0.000 0.744 208 E HN 0.628 nan 8.360 nan 0.000 0.451 209 K N 0.542 120.916 120.400 -0.043 0.000 2.097 209 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 209 K C 2.441 179.017 176.600 -0.040 0.000 1.050 209 K CA 1.349 57.609 56.287 -0.045 0.000 0.938 209 K CB -0.215 32.248 32.500 -0.061 0.000 0.718 209 K HN 0.143 nan 8.250 nan 0.000 0.442 210 V N 0.120 120.010 119.914 -0.040 0.000 2.548 210 V HA -0.158 3.961 4.120 -0.001 0.000 0.249 210 V C 2.059 178.140 176.094 -0.021 0.000 1.055 210 V CA 1.334 63.616 62.300 -0.030 0.000 1.065 210 V CB -0.157 31.650 31.823 -0.026 0.000 0.681 210 V HN 0.198 nan 8.190 nan 0.000 0.462 211 Q N 0.788 120.576 119.800 -0.020 0.000 2.084 211 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 211 Q C 2.448 178.440 176.000 -0.014 0.000 0.978 211 Q CA 2.491 58.285 55.803 -0.015 0.000 0.844 211 Q CB -0.431 28.299 28.738 -0.014 0.000 0.898 211 Q HN 0.752 nan 8.270 nan 0.000 0.426 212 R N 0.023 120.513 120.500 -0.017 0.000 2.148 212 R HA -0.048 4.292 4.340 -0.001 0.000 0.227 212 R C 1.787 178.078 176.300 -0.015 0.000 1.103 212 R CA 1.337 57.427 56.100 -0.016 0.000 0.983 212 R CB -0.141 30.148 30.300 -0.018 0.000 0.874 212 R HN 0.194 nan 8.270 nan 0.000 0.451 213 A N -0.636 122.174 122.820 -0.017 0.000 2.095 213 A HA 0.255 4.575 4.320 -0.001 0.000 0.212 213 A C 0.729 178.306 177.584 -0.012 0.000 1.162 213 A CA 0.418 52.446 52.037 -0.016 0.000 0.753 213 A CB 0.273 19.261 19.000 -0.019 0.000 0.840 213 A HN 0.278 nan 8.150 nan 0.000 0.468 214 M N -0.064 119.529 119.600 -0.010 0.000 1.949 214 M HA 0.248 4.727 4.480 -0.001 0.000 0.234 214 M C -2.493 173.804 176.300 -0.006 0.000 0.855 214 M CA -1.372 53.924 55.300 -0.007 0.000 0.800 214 M CB 2.087 34.684 32.600 -0.004 0.000 1.697 214 M HN -0.053 nan 8.290 nan 0.000 0.357 215 P HA -0.033 nan 4.420 nan 0.000 0.227 215 P C 1.338 178.636 177.300 -0.004 0.000 1.161 215 P CA 0.909 64.005 63.100 -0.006 0.000 0.788 215 P CB 0.204 31.901 31.700 -0.006 0.000 0.822 216 S N -1.149 114.549 115.700 -0.002 0.000 2.561 216 S HA -0.003 4.466 4.470 -0.001 0.000 0.225 216 S C 0.722 175.322 174.600 -0.000 0.000 0.977 216 S CA -0.225 57.974 58.200 -0.001 0.000 0.926 216 S CB -1.182 62.018 63.200 0.001 0.000 0.769 216 S HN -0.019 nan 8.310 nan 0.000 0.533 217 L N 2.624 123.847 121.223 -0.001 0.000 2.397 217 L HA 0.389 4.729 4.340 -0.001 0.000 0.271 217 L C 0.126 176.994 176.870 -0.003 0.000 1.148 217 L CA -0.043 54.796 54.840 -0.001 0.000 0.825 217 L CB 0.597 42.655 42.059 -0.001 0.000 1.117 217 L HN 0.123 nan 8.230 nan 0.000 0.456 218 K N 4.199 124.598 120.400 -0.002 0.000 2.310 218 K HA 0.352 4.671 4.320 -0.001 0.000 0.290 218 K C -1.512 175.084 176.600 -0.007 0.000 1.077 218 K CA -0.434 55.850 56.287 -0.004 0.000 0.922 218 K CB 0.469 32.967 32.500 -0.004 0.000 1.057 218 K HN 0.535 nan 8.250 nan 0.000 0.479 219 V N 4.122 124.031 119.914 -0.008 0.000 2.313 219 V HA 0.405 4.525 4.120 -0.001 0.000 0.278 219 V C -0.388 175.700 176.094 -0.010 0.000 1.017 219 V CA -0.825 61.469 62.300 -0.010 0.000 0.823 219 V CB 1.076 32.892 31.823 -0.011 0.000 1.010 219 V HN 0.865 nan 8.190 nan 0.000 0.443 220 A N 3.743 126.556 122.820 -0.011 0.000 2.271 220 A HA 0.749 5.068 4.320 -0.001 0.000 0.317 220 A C 0.431 178.007 177.584 -0.012 0.000 1.245 220 A CA -0.424 51.606 52.037 -0.011 0.000 0.857 220 A CB 0.833 19.826 19.000 -0.012 0.000 1.175 220 A HN 0.837 nan 8.150 nan 0.000 0.512 221 T N -0.230 114.317 114.554 -0.012 0.000 2.910 221 T HA 0.614 4.963 4.350 -0.001 0.000 0.293 221 T C -0.196 174.498 174.700 -0.010 0.000 1.015 221 T CA -0.471 61.622 62.100 -0.012 0.000 1.094 221 T CB 0.951 69.812 68.868 -0.011 0.000 0.968 221 T HN 0.659 nan 8.240 nan 0.000 0.521 222 V N 2.425 122.333 119.914 -0.010 0.000 2.760 222 V HA 0.355 4.475 4.120 -0.001 0.000 0.309 222 V C -0.456 175.634 176.094 -0.006 0.000 1.077 222 V CA -1.155 61.139 62.300 -0.009 0.000 0.910 222 V CB 2.086 33.902 31.823 -0.012 0.000 1.008 222 V HN 0.981 nan 8.190 nan 0.000 0.424 223 D N 2.224 122.622 120.400 -0.003 0.000 2.350 223 D HA 0.458 5.098 4.640 -0.001 0.000 0.249 223 D C -0.184 176.116 176.300 0.001 0.000 1.119 223 D CA 0.453 54.453 54.000 0.001 0.000 0.886 223 D CB 1.996 42.798 40.800 0.004 0.000 1.195 223 D HN 0.536 nan 8.370 nan 0.000 0.437 224 T N -0.573 113.983 114.554 0.004 0.000 2.889 224 T HA 0.111 4.461 4.350 -0.001 0.000 0.315 224 T C 1.078 175.784 174.700 0.011 0.000 1.291 224 T CA -0.581 61.521 62.100 0.004 0.000 1.028 224 T CB 1.574 70.440 68.868 -0.003 0.000 1.235 224 T HN 0.306 nan 8.240 nan 0.000 0.491 225 S N 2.376 118.083 115.700 0.012 0.000 2.453 225 S HA 0.142 4.612 4.470 -0.001 0.000 0.231 225 S C 0.777 175.392 174.600 0.026 0.000 1.005 225 S CA 0.387 58.598 58.200 0.019 0.000 0.949 225 S CB -0.495 62.715 63.200 0.016 0.000 0.774 225 S HN 0.757 nan 8.310 nan 0.000 0.510 226 M N -1.927 117.686 119.600 0.021 0.000 2.773 226 M HA 0.721 5.201 4.480 -0.001 0.000 0.270 226 M C 0.145 176.458 176.300 0.020 0.000 1.238 226 M CA -0.770 54.547 55.300 0.028 0.000 0.832 226 M CB 0.859 33.474 32.600 0.026 0.000 1.672 226 M HN -0.024 nan 8.290 nan 0.000 0.480 227 G N 0.136 108.956 108.800 0.034 0.000 2.582 227 G HA2 0.649 4.609 3.960 -0.001 0.000 0.232 227 G HA3 0.649 4.609 3.960 -0.001 0.000 0.232 227 G C 0.351 175.252 174.900 0.002 0.000 1.458 227 G CA -0.195 44.923 45.100 0.030 0.000 1.062 227 G HN 1.655 nan 8.290 nan 0.000 0.566 228 G N -2.222 106.570 108.800 -0.013 0.000 2.726 228 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.261 228 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.261 228 G C 1.066 175.915 174.900 -0.084 0.000 1.352 228 G CA 0.340 45.408 45.100 -0.054 0.000 0.906 228 G HN 1.281 nan 8.290 nan 0.000 0.566 229 V N 0.642 120.508 119.914 -0.080 0.000 2.332 229 V HA -0.143 3.976 4.120 -0.001 0.000 0.248 229 V C 3.426 179.488 176.094 -0.054 0.000 1.055 229 V CA 3.437 65.689 62.300 -0.078 0.000 1.038 229 V CB -1.400 30.386 31.823 -0.063 0.000 0.651 229 V HN 1.583 nan 8.190 nan 0.000 0.450 230 A N 0.470 123.270 122.820 -0.034 0.000 1.978 230 A HA -0.099 4.220 4.320 -0.001 0.000 0.220 230 A C 2.395 179.964 177.584 -0.024 0.000 1.170 230 A CA 1.929 53.953 52.037 -0.022 0.000 0.636 230 A CB -1.064 17.930 19.000 -0.010 0.000 0.810 230 A HN 0.543 nan 8.150 nan 0.000 0.448 231 G N -0.728 108.054 108.800 -0.030 0.000 2.402 231 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.216 231 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.216 231 G C 1.481 176.355 174.900 -0.043 0.000 1.162 231 G CA 1.054 46.137 45.100 -0.029 0.000 0.777 231 G HN 0.296 nan 8.290 nan 0.000 0.539 232 V N 0.508 120.382 119.914 -0.066 0.000 2.392 232 V HA -0.179 3.941 4.120 -0.001 0.000 0.249 232 V C 2.945 179.006 176.094 -0.055 0.000 1.059 232 V CA 2.063 64.318 62.300 -0.075 0.000 1.051 232 V CB -0.401 31.358 31.823 -0.107 0.000 0.658 232 V HN 0.306 nan 8.190 nan 0.000 0.455 233 R N -0.584 119.889 120.500 -0.044 0.000 2.093 233 R HA -0.091 4.248 4.340 -0.001 0.000 0.224 233 R C 2.408 178.695 176.300 -0.023 0.000 1.101 233 R CA 1.205 57.286 56.100 -0.031 0.000 0.979 233 R CB -0.225 30.060 30.300 -0.024 0.000 0.877 233 R HN 0.594 nan 8.270 nan 0.000 0.441 234 E N 0.744 120.932 120.200 -0.020 0.000 2.058 234 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 234 E C 1.855 178.446 176.600 -0.016 0.000 0.997 234 E CA 1.280 57.672 56.400 -0.013 0.000 0.801 234 E CB -0.042 29.652 29.700 -0.009 0.000 0.746 234 E HN 0.355 nan 8.360 nan 0.000 0.450 235 A N 1.212 124.018 122.820 -0.022 0.000 1.978 235 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 235 A C 2.178 179.748 177.584 -0.024 0.000 1.170 235 A CA 0.983 53.006 52.037 -0.023 0.000 0.636 235 A CB -0.615 18.367 19.000 -0.031 0.000 0.810 235 A HN 0.346 nan 8.150 nan 0.000 0.448 236 L N -1.695 119.512 121.223 -0.027 0.000 2.362 236 L HA -0.104 4.236 4.340 -0.001 0.000 0.219 236 L C 2.393 179.251 176.870 -0.019 0.000 1.134 236 L CA 1.093 55.918 54.840 -0.026 0.000 0.807 236 L CB -0.274 41.768 42.059 -0.029 0.000 0.927 236 L HN 0.388 nan 8.230 nan 0.000 0.447 237 R N -1.459 119.033 120.500 -0.014 0.000 2.334 237 R HA 0.121 4.461 4.340 -0.001 0.000 0.212 237 R C 0.399 176.695 176.300 -0.007 0.000 0.897 237 R CA -0.312 55.783 56.100 -0.009 0.000 1.056 237 R CB 0.442 30.739 30.300 -0.005 0.000 1.046 237 R HN 0.079 nan 8.270 nan 0.000 0.513 238 R N 1.083 121.578 120.500 -0.009 0.000 2.539 238 R HA 0.009 4.348 4.340 -0.001 0.000 0.275 238 R C 0.839 177.134 176.300 -0.007 0.000 1.077 238 R CA 0.131 56.227 56.100 -0.007 0.000 1.097 238 R CB 0.732 31.027 30.300 -0.008 0.000 1.018 238 R HN 0.206 nan 8.270 nan 0.000 0.483 239 E N 1.108 121.305 120.200 -0.005 0.000 2.051 239 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 239 E C 1.467 178.063 176.600 -0.006 0.000 0.991 239 E CA 1.963 58.360 56.400 -0.005 0.000 0.799 239 E CB 0.238 29.936 29.700 -0.003 0.000 0.748 239 E HN 0.680 nan 8.360 nan 0.000 0.449 240 S N -0.060 115.637 115.700 -0.006 0.000 2.359 240 S HA -0.159 4.311 4.470 -0.001 0.000 0.224 240 S C 2.131 176.725 174.600 -0.010 0.000 1.035 240 S CA 1.420 59.615 58.200 -0.007 0.000 1.018 240 S CB -0.664 62.532 63.200 -0.007 0.000 0.876 240 S HN 0.137 nan 8.310 nan 0.000 0.448 241 V N 3.178 123.085 119.914 -0.012 0.000 2.453 241 V HA -0.154 3.966 4.120 -0.001 0.000 0.247 241 V C 3.138 179.222 176.094 -0.016 0.000 1.048 241 V CA 1.962 64.252 62.300 -0.016 0.000 1.049 241 V CB -1.736 30.075 31.823 -0.020 0.000 0.672 241 V HN 0.842 nan 8.190 nan 0.000 0.457 242 T N -0.765 113.780 114.554 -0.014 0.000 2.699 242 T HA -0.289 4.060 4.350 -0.001 0.000 0.268 242 T C 1.955 176.648 174.700 -0.011 0.000 1.036 242 T CA 1.672 63.765 62.100 -0.013 0.000 1.147 242 T CB -0.365 68.497 68.868 -0.009 0.000 0.862 242 T HN 0.435 nan 8.240 nan 0.000 0.446 243 R N 0.700 121.194 120.500 -0.009 0.000 2.061 243 R HA 0.175 4.515 4.340 -0.001 0.000 0.230 243 R C 2.699 178.993 176.300 -0.009 0.000 1.140 243 R CA 1.610 57.705 56.100 -0.008 0.000 0.940 243 R CB -0.615 29.681 30.300 -0.006 0.000 0.839 243 R HN 0.386 nan 8.270 nan 0.000 0.429 244 I N 0.605 121.169 120.570 -0.010 0.000 2.248 244 I HA -0.266 3.904 4.170 -0.001 0.000 0.248 244 I C 1.343 177.452 176.117 -0.014 0.000 1.107 244 I CA 1.076 62.369 61.300 -0.011 0.000 1.373 244 I CB -0.034 37.958 38.000 -0.013 0.000 1.055 244 I HN 0.118 nan 8.210 nan 0.000 0.418 245 L N 0.913 122.125 121.223 -0.017 0.000 2.818 245 L HA 0.135 4.474 4.340 -0.001 0.000 0.243 245 L C 2.135 178.992 176.870 -0.022 0.000 1.185 245 L CA 0.536 55.362 54.840 -0.023 0.000 0.988 245 L CB -0.675 41.367 42.059 -0.029 0.000 1.292 245 L HN 0.205 nan 8.230 nan 0.000 0.519 246 R N -0.548 119.943 120.500 -0.016 0.000 2.139 246 R HA -0.162 4.178 4.340 -0.001 0.000 0.243 246 R C 0.826 177.118 176.300 -0.013 0.000 1.145 246 R CA 1.483 57.575 56.100 -0.013 0.000 0.976 246 R CB -0.413 29.882 30.300 -0.008 0.000 0.866 246 R HN 0.343 nan 8.270 nan 0.000 0.449 247 E N 0.710 120.902 120.200 -0.013 0.000 2.478 247 E HA -0.009 4.341 4.350 -0.001 0.000 0.198 247 E C -0.133 176.455 176.600 -0.020 0.000 1.046 247 E CA 0.226 56.620 56.400 -0.011 0.000 0.870 247 E CB 0.079 29.775 29.700 -0.007 0.000 0.818 247 E HN 0.188 nan 8.360 nan 0.000 0.527 248 L N 1.100 122.303 121.223 -0.033 0.000 2.265 248 L HA 0.096 4.436 4.340 -0.001 0.000 0.288 248 L C 1.395 178.235 176.870 -0.050 0.000 1.058 248 L CA 0.195 55.001 54.840 -0.056 0.000 0.809 248 L CB 1.391 43.406 42.059 -0.073 0.000 1.179 248 L HN -0.178 nan 8.230 nan 0.000 0.429 249 S N 3.297 118.966 115.700 -0.052 0.000 2.365 249 S HA -0.186 4.284 4.470 -0.001 0.000 0.225 249 S C 1.869 176.446 174.600 -0.037 0.000 1.039 249 S CA 1.180 59.364 58.200 -0.027 0.000 1.033 249 S CB -0.184 63.015 63.200 -0.001 0.000 0.887 249 S HN 0.569 nan 8.310 nan 0.000 0.447 250 I N 1.293 121.820 120.570 -0.072 0.000 2.236 250 I HA -0.153 4.017 4.170 -0.001 0.000 0.249 250 I C 2.115 178.206 176.117 -0.043 0.000 1.102 250 I CA 0.985 62.247 61.300 -0.064 0.000 1.365 250 I CB -0.956 36.989 38.000 -0.091 0.000 1.051 250 I HN 0.134 nan 8.210 nan 0.000 0.420 251 V N -0.505 119.383 119.914 -0.043 0.000 2.500 251 V HA -0.137 3.982 4.120 -0.001 0.000 0.243 251 V C 2.381 178.461 176.094 -0.022 0.000 1.039 251 V CA 1.348 63.628 62.300 -0.032 0.000 1.053 251 V CB -0.537 31.266 31.823 -0.034 0.000 0.695 251 V HN 0.430 nan 8.190 nan 0.000 0.463 252 E N 0.741 120.929 120.200 -0.020 0.000 2.153 252 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 252 E C 2.218 178.812 176.600 -0.010 0.000 0.988 252 E CA 1.233 57.626 56.400 -0.012 0.000 0.811 252 E CB -0.134 29.562 29.700 -0.007 0.000 0.746 252 E HN 0.546 nan 8.360 nan 0.000 0.466 253 A N 1.000 123.812 122.820 -0.013 0.000 1.986 253 A HA -0.264 4.056 4.320 -0.001 0.000 0.220 253 A C 1.955 179.530 177.584 -0.016 0.000 1.171 253 A CA 1.905 53.932 52.037 -0.015 0.000 0.640 253 A CB -0.521 18.471 19.000 -0.015 0.000 0.811 253 A HN 0.273 nan 8.150 nan 0.000 0.451 254 E N -0.411 119.782 120.200 -0.013 0.000 2.077 254 E HA -0.040 4.309 4.350 -0.001 0.000 0.193 254 E C 2.093 178.692 176.600 -0.002 0.000 0.989 254 E CA 1.319 57.714 56.400 -0.008 0.000 0.800 254 E CB -0.662 29.033 29.700 -0.009 0.000 0.746 254 E HN 0.474 nan 8.360 nan 0.000 0.452 255 G N 0.162 108.961 108.800 -0.002 0.000 2.446 255 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.217 255 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.217 255 G C 1.698 176.604 174.900 0.009 0.000 1.168 255 G CA 1.194 46.296 45.100 0.003 0.000 0.771 255 G HN 0.356 nan 8.290 nan 0.000 0.551 256 V N 0.120 120.036 119.914 0.004 0.000 2.667 256 V HA 0.045 4.165 4.120 -0.001 0.000 0.252 256 V C 2.497 178.606 176.094 0.025 0.000 1.065 256 V CA 1.829 64.135 62.300 0.011 0.000 1.083 256 V CB -0.083 31.738 31.823 -0.004 0.000 0.692 256 V HN 0.245 nan 8.190 nan 0.000 0.468 257 L N 1.043 122.265 121.223 -0.002 0.000 2.027 257 L HA -0.081 4.258 4.340 -0.001 0.000 0.206 257 L C 2.541 179.452 176.870 0.069 0.000 1.074 257 L CA 2.670 57.513 54.840 0.004 0.000 0.745 257 L CB -0.869 41.174 42.059 -0.027 0.000 0.898 257 L HN 0.604 nan 8.230 nan 0.000 0.433 258 E N -0.627 119.598 120.200 0.041 0.000 2.058 258 E HA -0.332 4.017 4.350 -0.001 0.000 0.194 258 E C 2.057 178.678 176.600 0.036 0.000 0.997 258 E CA 1.539 57.961 56.400 0.035 0.000 0.801 258 E CB -0.097 29.614 29.700 0.019 0.000 0.746 258 E HN 0.613 nan 8.360 nan 0.000 0.450 259 E N 0.142 120.366 120.200 0.040 0.000 2.072 259 E HA -0.200 4.150 4.350 -0.001 0.000 0.191 259 E C 1.817 178.437 176.600 0.033 0.000 0.985 259 E CA 1.351 57.768 56.400 0.029 0.000 0.801 259 E CB -0.644 29.074 29.700 0.029 0.000 0.750 259 E HN 0.401 nan 8.360 nan 0.000 0.452 260 F N 0.722 120.623 119.950 -0.081 0.000 2.091 260 F HA -0.182 4.345 4.527 -0.001 0.000 0.299 260 F C 1.806 177.534 175.800 -0.120 0.000 1.103 260 F CA 1.730 59.659 58.000 -0.118 0.000 1.228 260 F CB -0.216 38.672 39.000 -0.187 0.000 0.984 260 F HN 0.069 nan 8.300 nan 0.000 0.477 261 L N -0.247 120.953 121.223 -0.038 0.000 2.093 261 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 261 L C 2.746 179.535 176.870 -0.135 0.000 1.085 261 L CA 1.219 55.995 54.840 -0.107 0.000 0.755 261 L CB -0.719 41.358 42.059 0.031 0.000 0.904 261 L HN 0.069 nan 8.230 nan 0.000 0.435 262 R N 0.293 120.742 120.500 -0.085 0.000 2.096 262 R HA -0.188 4.152 4.340 -0.001 0.000 0.240 262 R C 2.496 178.730 176.300 -0.110 0.000 1.139 262 R CA 1.753 57.810 56.100 -0.072 0.000 0.952 262 R CB -0.132 30.143 30.300 -0.042 0.000 0.854 262 R HN 0.354 nan 8.270 nan 0.000 0.436 263 R N -0.020 120.382 120.500 -0.163 0.000 2.092 263 R HA -0.061 4.279 4.340 -0.001 0.000 0.231 263 R C 2.312 178.480 176.300 -0.219 0.000 1.119 263 R CA 0.950 56.943 56.100 -0.178 0.000 0.970 263 R CB -0.273 29.915 30.300 -0.187 0.000 0.864 263 R HN 0.230 nan 8.270 nan 0.000 0.440 264 I N 1.055 121.416 120.570 -0.348 0.000 2.194 264 I HA -0.285 3.884 4.170 -0.001 0.000 0.246 264 I C 2.433 178.476 176.117 -0.124 0.000 1.093 264 I CA 1.631 62.766 61.300 -0.275 0.000 1.355 264 I CB -1.064 36.744 38.000 -0.321 0.000 1.046 264 I HN 0.187 nan 8.210 nan 0.000 0.413 265 A N -0.029 122.729 122.820 -0.103 0.000 1.874 265 A HA -0.120 4.199 4.320 -0.001 0.000 0.214 265 A C 2.277 179.835 177.584 -0.044 0.000 1.189 265 A CA 1.242 53.247 52.037 -0.053 0.000 0.615 265 A CB -0.177 18.799 19.000 -0.039 0.000 0.830 265 A HN 0.193 nan 8.150 nan 0.000 0.443 266 K N 0.033 120.402 120.400 -0.053 0.000 2.214 266 K HA 0.118 4.437 4.320 -0.001 0.000 0.201 266 K C 0.340 176.919 176.600 -0.035 0.000 1.049 266 K CA 1.139 57.404 56.287 -0.037 0.000 0.978 266 K CB 0.293 32.773 32.500 -0.033 0.000 0.842 266 K HN 0.458 nan 8.250 nan 0.000 0.474 267 S N 0.482 116.152 115.700 -0.050 0.000 2.204 267 S HA 0.361 4.830 4.470 -0.001 0.000 0.147 267 S C 0.522 175.090 174.600 -0.053 0.000 1.711 267 S CA -0.782 57.394 58.200 -0.040 0.000 1.274 267 S CB 1.197 64.379 63.200 -0.030 0.000 1.257 267 S HN -0.093 nan 8.310 nan 0.000 0.404 268 R N 1.956 122.428 120.500 -0.047 0.000 2.117 268 R HA -0.088 4.251 4.340 -0.001 0.000 0.243 268 R C 0.352 176.634 176.300 -0.030 0.000 1.143 268 R CA 1.459 57.530 56.100 -0.048 0.000 0.968 268 R CB -0.596 29.693 30.300 -0.018 0.000 0.863 268 R HN 0.540 nan 8.270 nan 0.000 0.444 269 D N -0.907 119.484 120.400 -0.014 0.000 2.363 269 D HA -0.048 4.591 4.640 -0.001 0.000 0.226 269 D C 1.044 177.340 176.300 -0.007 0.000 1.020 269 D CA 0.984 54.984 54.000 -0.001 0.000 0.892 269 D CB 0.132 40.941 40.800 0.014 0.000 0.900 269 D HN 0.372 nan 8.370 nan 0.000 0.531 270 T N -2.174 112.365 114.554 -0.025 0.000 3.163 270 T HA 0.243 4.593 4.350 -0.001 0.000 0.252 270 T C 0.609 175.288 174.700 -0.035 0.000 1.056 270 T CA -0.416 61.662 62.100 -0.036 0.000 0.947 270 T CB -0.418 68.430 68.868 -0.033 0.000 1.016 270 T HN -0.072 nan 8.240 nan 0.000 0.554 271 V N -2.437 117.464 119.914 -0.021 0.000 3.074 271 V HA 1.027 5.146 4.120 -0.001 0.000 0.314 271 V C -0.582 175.590 176.094 0.130 0.000 1.117 271 V CA -1.470 60.868 62.300 0.064 0.000 1.014 271 V CB 1.376 33.165 31.823 -0.057 0.000 1.057 271 V HN 0.455 nan 8.190 nan 0.000 0.438 272 A N 1.952 124.910 122.820 0.230 0.000 2.539 272 A HA 1.020 5.340 4.320 -0.001 0.000 0.296 272 A C -1.297 176.475 177.584 0.312 0.000 1.073 272 A CA -0.621 51.517 52.037 0.168 0.000 0.700 272 A CB 1.887 20.912 19.000 0.043 0.000 1.296 272 A HN 2.062 nan 8.150 nan 0.000 0.405 273 Y N -1.796 118.592 120.300 0.148 0.000 2.655 273 Y HA 0.866 5.416 4.550 -0.001 0.000 0.336 273 Y C -0.158 175.803 175.900 0.102 0.000 1.154 273 Y CA -0.712 57.451 58.100 0.106 0.000 1.055 273 Y CB 0.796 39.359 38.460 0.172 0.000 1.295 273 Y HN 1.284 nan 8.280 nan 0.000 0.465 274 T N 1.471 116.162 114.554 0.228 0.000 0.542 274 T HA -0.079 4.271 4.350 -0.001 0.000 0.774 274 T C -2.369 172.360 174.700 0.049 0.000 0.992 274 T CA -0.269 61.899 62.100 0.113 0.000 4.076 274 T CB -0.543 68.331 68.868 0.009 0.000 2.302 274 T HN 0.666 nan 8.240 nan 0.000 0.398 275 P HA -0.073 nan 4.420 nan 0.000 0.215 275 P C 1.533 178.835 177.300 0.003 0.000 1.153 275 P CA 1.752 64.862 63.100 0.018 0.000 0.853 275 P CB -0.116 31.593 31.700 0.015 0.000 0.788 276 G N -0.286 108.513 108.800 -0.002 0.000 2.414 276 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 276 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 276 G C 1.591 176.479 174.900 -0.021 0.000 1.188 276 G CA 0.509 45.602 45.100 -0.012 0.000 0.783 276 G HN 0.246 nan 8.290 nan 0.000 0.537 277 E N -0.204 119.973 120.200 -0.037 0.000 2.106 277 E HA -0.073 4.277 4.350 -0.001 0.000 0.192 277 E C 2.789 179.372 176.600 -0.028 0.000 0.984 277 E CA 0.769 57.138 56.400 -0.050 0.000 0.806 277 E CB -0.041 29.594 29.700 -0.109 0.000 0.750 277 E HN 0.282 nan 8.360 nan 0.000 0.458 278 V N 1.423 121.329 119.914 -0.013 0.000 2.343 278 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 278 V C 2.353 178.442 176.094 -0.008 0.000 1.051 278 V CA 1.260 63.558 62.300 -0.003 0.000 1.036 278 V CB -0.395 31.433 31.823 0.008 0.000 0.654 278 V HN 0.257 nan 8.190 nan 0.000 0.451 279 L N 0.951 122.169 121.223 -0.009 0.000 2.012 279 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 279 L C 2.494 179.360 176.870 -0.007 0.000 1.073 279 L CA 2.454 57.289 54.840 -0.009 0.000 0.748 279 L CB -1.075 40.979 42.059 -0.009 0.000 0.891 279 L HN 0.237 nan 8.230 nan 0.000 0.431 280 A N -0.717 122.098 122.820 -0.008 0.000 1.873 280 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 280 A C 2.260 179.845 177.584 0.001 0.000 1.193 280 A CA 2.922 54.956 52.037 -0.004 0.000 0.629 280 A CB -1.449 17.546 19.000 -0.008 0.000 0.826 280 A HN 0.572 nan 8.150 nan 0.000 0.447 281 V N -3.072 116.838 119.914 -0.006 0.000 3.041 281 V HA 0.210 4.330 4.120 -0.001 0.000 0.260 281 V C 2.343 178.428 176.094 -0.013 0.000 1.105 281 V CA 1.443 63.737 62.300 -0.010 0.000 1.125 281 V CB -1.077 30.728 31.823 -0.030 0.000 0.730 281 V HN 0.525 nan 8.190 nan 0.000 0.479 282 A N 0.889 123.703 122.820 -0.010 0.000 1.968 282 A HA -0.033 4.287 4.320 -0.001 0.000 0.217 282 A C 2.410 179.997 177.584 0.005 0.000 1.169 282 A CA 1.334 53.366 52.037 -0.008 0.000 0.638 282 A CB -0.451 18.544 19.000 -0.009 0.000 0.812 282 A HN 0.536 nan 8.150 nan 0.000 0.446 283 R N -0.793 119.712 120.500 0.009 0.000 2.092 283 R HA 0.004 4.343 4.340 -0.001 0.000 0.231 283 R C 1.983 178.303 176.300 0.033 0.000 1.119 283 R CA 1.433 57.543 56.100 0.016 0.000 0.970 283 R CB -0.452 29.855 30.300 0.012 0.000 0.864 283 R HN 0.545 nan 8.270 nan 0.000 0.440 284 M N -0.472 119.156 119.600 0.046 0.000 2.374 284 M HA -0.011 4.469 4.480 -0.001 0.000 0.264 284 M C 1.113 177.485 176.300 0.120 0.000 1.067 284 M CA 1.464 56.817 55.300 0.088 0.000 1.103 284 M CB 0.089 32.764 32.600 0.126 0.000 1.402 284 M HN 0.513 nan 8.290 nan 0.000 0.444 285 G N -0.486 108.362 108.800 0.079 0.000 2.141 285 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.231 285 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.231 285 G C 0.711 175.653 174.900 0.070 0.000 0.984 285 G CA 0.237 45.387 45.100 0.084 0.000 0.660 285 G HN 0.559 nan 8.290 nan 0.000 0.525 286 A N -0.545 122.253 122.820 -0.037 0.000 2.169 286 A HA 0.584 4.903 4.320 -0.001 0.000 0.212 286 A C 1.270 178.679 177.584 -0.292 0.000 1.153 286 A CA 1.150 52.946 52.037 -0.402 0.000 0.756 286 A CB 0.243 18.920 19.000 -0.539 0.000 0.813 286 A HN 1.057 nan 8.150 nan 0.000 0.471 287 V N 1.656 121.493 119.914 -0.128 0.000 2.415 287 V HA 0.047 4.166 4.120 -0.001 0.000 0.267 287 V C 1.141 177.198 176.094 -0.062 0.000 1.042 287 V CA 0.579 62.827 62.300 -0.086 0.000 1.000 287 V CB 0.874 32.670 31.823 -0.045 0.000 1.015 287 V HN 0.615 nan 8.190 nan 0.000 0.478 288 D N 3.799 124.161 120.400 -0.063 0.000 2.149 288 D HA -0.026 4.614 4.640 -0.001 0.000 0.206 288 D C 0.955 177.244 176.300 -0.018 0.000 0.967 288 D CA 1.505 55.485 54.000 -0.034 0.000 0.848 288 D CB 0.415 41.197 40.800 -0.032 0.000 0.998 288 D HN 0.676 nan 8.370 nan 0.000 0.474 289 T N -1.773 112.771 114.554 -0.016 0.000 2.932 289 T HA 0.507 4.857 4.350 -0.001 0.000 0.318 289 T C -1.682 173.011 174.700 -0.012 0.000 1.265 289 T CA -0.849 61.245 62.100 -0.010 0.000 1.036 289 T CB 1.408 70.274 68.868 -0.005 0.000 1.209 289 T HN -0.071 nan 8.240 nan 0.000 0.484 290 V N 5.004 124.910 119.914 -0.014 0.000 2.540 290 V HA 0.725 4.844 4.120 -0.001 0.000 0.302 290 V C -1.082 174.996 176.094 -0.026 0.000 1.035 290 V CA -1.062 61.225 62.300 -0.021 0.000 0.873 290 V CB 1.380 33.192 31.823 -0.017 0.000 0.992 290 V HN 1.011 nan 8.190 nan 0.000 0.428 291 L N 7.519 128.712 121.223 -0.050 0.000 2.313 291 L HA 0.634 4.974 4.340 -0.001 0.000 0.283 291 L C -1.288 175.554 176.870 -0.047 0.000 1.013 291 L CA -0.593 54.217 54.840 -0.050 0.000 0.816 291 L CB 1.496 43.503 42.059 -0.086 0.000 1.236 291 L HN 0.641 nan 8.230 nan 0.000 0.419 292 L N 5.653 126.871 121.223 -0.009 0.000 2.470 292 L HA 0.421 4.761 4.340 -0.001 0.000 0.268 292 L C -1.169 175.723 176.870 0.038 0.000 0.964 292 L CA -0.442 54.401 54.840 0.005 0.000 0.839 292 L CB 2.377 44.437 42.059 0.000 0.000 1.276 292 L HN 0.345 nan 8.230 nan 0.000 0.403 293 V N 4.876 124.817 119.914 0.045 0.000 2.614 293 V HA 0.067 4.187 4.120 -0.001 0.000 0.291 293 V C 1.092 177.239 176.094 0.088 0.000 1.049 293 V CA 0.178 62.527 62.300 0.082 0.000 1.038 293 V CB 1.492 33.359 31.823 0.073 0.000 0.980 293 V HN 0.956 nan 8.190 nan 0.000 0.481 294 D N 3.215 123.701 120.400 0.144 0.000 2.265 294 D HA -0.216 4.423 4.640 -0.001 0.000 0.208 294 D C 1.819 178.172 176.300 0.088 0.000 0.977 294 D CA 1.708 55.762 54.000 0.090 0.000 0.871 294 D CB -0.429 40.435 40.800 0.107 0.000 0.925 294 D HN 0.719 nan 8.370 nan 0.000 0.485 295 T N -1.100 113.521 114.554 0.113 0.000 2.881 295 T HA -0.086 4.263 4.350 -0.001 0.000 0.270 295 T C 2.300 177.046 174.700 0.076 0.000 1.068 295 T CA 0.621 62.790 62.100 0.115 0.000 1.131 295 T CB -0.699 68.229 68.868 0.100 0.000 0.871 295 T HN 0.204 nan 8.240 nan 0.000 0.479 296 L N -0.219 121.027 121.223 0.038 0.000 2.083 296 L HA -0.003 4.336 4.340 -0.001 0.000 0.209 296 L C 2.526 179.367 176.870 -0.048 0.000 1.083 296 L CA 0.625 55.469 54.840 0.006 0.000 0.752 296 L CB -0.584 41.477 42.059 0.003 0.000 0.899 296 L HN 0.251 nan 8.230 nan 0.000 0.433 297 L N -0.764 120.395 121.223 -0.107 0.000 2.189 297 L HA -0.239 4.101 4.340 -0.001 0.000 0.214 297 L C 1.854 178.453 176.870 -0.452 0.000 1.097 297 L CA 1.750 56.416 54.840 -0.289 0.000 0.764 297 L CB -0.881 40.949 42.059 -0.381 0.000 0.900 297 L HN 0.348 nan 8.230 nan 0.000 0.436 298 H N -2.541 116.515 119.070 -0.023 0.000 2.567 298 H HA 0.268 4.823 4.556 -0.001 0.000 0.267 298 H C 0.801 176.127 175.328 -0.003 0.000 1.148 298 H CA -0.186 55.853 56.048 -0.015 0.000 1.031 298 H CB 0.506 30.260 29.762 -0.013 0.000 1.691 298 H HN 0.114 nan 8.280 nan 0.000 0.588 299 S N 2.246 117.983 115.700 0.063 0.000 2.550 299 S HA -0.029 4.440 4.470 -0.001 0.000 0.285 299 S C -1.254 173.374 174.600 0.047 0.000 1.326 299 S CA -0.712 57.517 58.200 0.048 0.000 1.037 299 S CB 0.977 64.190 63.200 0.022 0.000 0.838 299 S HN 0.144 nan 8.310 nan 0.000 0.519 300 P HA 0.137 nan 4.420 nan 0.000 0.235 300 P C -0.327 176.986 177.300 0.021 0.000 1.177 300 P CA 0.205 63.324 63.100 0.032 0.000 0.785 300 P CB 0.004 31.720 31.700 0.028 0.000 0.885 301 D N 0.202 120.612 120.400 0.017 0.000 2.339 301 D HA 0.001 4.641 4.640 -0.001 0.000 0.256 301 D C 0.544 176.846 176.300 0.003 0.000 1.214 301 D CA 0.123 54.128 54.000 0.009 0.000 0.877 301 D CB 0.473 41.278 40.800 0.008 0.000 1.111 301 D HN -0.172 nan 8.370 nan 0.000 0.478 302 D N 2.787 123.187 120.400 -0.000 0.000 2.123 302 D HA -0.166 4.473 4.640 -0.001 0.000 0.196 302 D C 1.815 178.107 176.300 -0.013 0.000 0.992 302 D CA 1.766 55.762 54.000 -0.008 0.000 0.833 302 D CB 0.038 40.833 40.800 -0.008 0.000 0.954 302 D HN 0.533 nan 8.370 nan 0.000 0.455 303 A N 0.337 123.151 122.820 -0.009 0.000 1.933 303 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 303 A C 2.415 179.992 177.584 -0.013 0.000 1.175 303 A CA 1.974 54.005 52.037 -0.011 0.000 0.628 303 A CB -0.908 18.087 19.000 -0.007 0.000 0.814 303 A HN 0.249 nan 8.150 nan 0.000 0.444 304 V N -2.189 117.720 119.914 -0.009 0.000 2.379 304 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 304 V C 2.188 178.269 176.094 -0.022 0.000 1.044 304 V CA 1.769 64.063 62.300 -0.010 0.000 1.036 304 V CB -1.021 30.801 31.823 -0.001 0.000 0.664 304 V HN 0.495 nan 8.190 nan 0.000 0.453 305 R N 0.495 120.977 120.500 -0.029 0.000 2.105 305 R HA -0.139 4.201 4.340 -0.001 0.000 0.239 305 R C 2.397 178.665 176.300 -0.054 0.000 1.135 305 R CA 2.083 58.151 56.100 -0.053 0.000 0.967 305 R CB -0.345 29.920 30.300 -0.058 0.000 0.861 305 R HN 0.689 nan 8.270 nan 0.000 0.442 306 E N 0.278 120.454 120.200 -0.040 0.000 2.076 306 E HA -0.081 4.269 4.350 -0.001 0.000 0.190 306 E C 2.071 178.651 176.600 -0.032 0.000 0.979 306 E CA 0.824 57.201 56.400 -0.038 0.000 0.807 306 E CB -0.030 29.651 29.700 -0.032 0.000 0.761 306 E HN 0.320 nan 8.360 nan 0.000 0.454 307 A N 1.087 123.891 122.820 -0.026 0.000 1.877 307 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 307 A C 2.494 180.064 177.584 -0.024 0.000 1.186 307 A CA 1.218 53.243 52.037 -0.021 0.000 0.620 307 A CB -0.688 18.303 19.000 -0.015 0.000 0.822 307 A HN 0.105 nan 8.150 nan 0.000 0.443 308 V N 0.431 120.327 119.914 -0.029 0.000 2.307 308 V HA -0.213 3.907 4.120 -0.001 0.000 0.245 308 V C 2.182 178.251 176.094 -0.040 0.000 1.045 308 V CA 2.233 64.513 62.300 -0.033 0.000 1.024 308 V CB -0.744 31.056 31.823 -0.038 0.000 0.651 308 V HN 0.489 nan 8.190 nan 0.000 0.449 309 D N -0.632 119.737 120.400 -0.051 0.000 2.178 309 D HA -0.135 4.504 4.640 -0.001 0.000 0.201 309 D C 2.275 178.553 176.300 -0.036 0.000 0.980 309 D CA 0.844 54.813 54.000 -0.052 0.000 0.842 309 D CB 0.001 40.763 40.800 -0.062 0.000 0.948 309 D HN 0.378 nan 8.370 nan 0.000 0.472 310 E N 0.702 120.883 120.200 -0.031 0.000 2.015 310 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 310 E C 2.094 178.683 176.600 -0.018 0.000 0.991 310 E CA 0.776 57.162 56.400 -0.023 0.000 0.802 310 E CB -0.217 29.471 29.700 -0.021 0.000 0.759 310 E HN 0.127 nan 8.360 nan 0.000 0.447 311 A N 1.032 123.841 122.820 -0.017 0.000 1.927 311 A HA -0.216 4.104 4.320 -0.001 0.000 0.220 311 A C 2.243 179.818 177.584 -0.014 0.000 1.185 311 A CA 1.480 53.508 52.037 -0.014 0.000 0.639 311 A CB -0.615 18.377 19.000 -0.013 0.000 0.820 311 A HN 0.206 nan 8.150 nan 0.000 0.451 312 L N -0.678 120.534 121.223 -0.019 0.000 2.109 312 L HA -0.059 4.280 4.340 -0.001 0.000 0.207 312 L C 2.553 179.414 176.870 -0.014 0.000 1.086 312 L CA 1.889 56.718 54.840 -0.019 0.000 0.760 312 L CB -0.759 41.284 42.059 -0.027 0.000 0.910 312 L HN 0.478 nan 8.230 nan 0.000 0.437 313 R N -0.512 119.979 120.500 -0.014 0.000 2.094 313 R HA -0.204 4.136 4.340 -0.001 0.000 0.239 313 R C 2.152 178.449 176.300 -0.005 0.000 1.137 313 R CA 1.563 57.658 56.100 -0.008 0.000 0.943 313 R CB -0.331 29.964 30.300 -0.010 0.000 0.850 313 R HN 0.181 nan 8.270 nan 0.000 0.433 314 L N 0.750 121.970 121.223 -0.005 0.000 1.971 314 L HA -0.186 4.154 4.340 -0.001 0.000 0.215 314 L C 2.656 179.526 176.870 -0.001 0.000 1.072 314 L CA 1.856 56.696 54.840 -0.002 0.000 0.758 314 L CB -1.442 40.616 42.059 -0.002 0.000 0.889 314 L HN 0.270 nan 8.230 nan 0.000 0.433 315 V N -1.647 118.264 119.914 -0.004 0.000 2.594 315 V HA -0.239 3.881 4.120 -0.001 0.000 0.253 315 V C 2.351 178.444 176.094 -0.002 0.000 1.069 315 V CA 1.993 64.290 62.300 -0.005 0.000 1.082 315 V CB -0.399 31.418 31.823 -0.010 0.000 0.680 315 V HN 0.526 nan 8.190 nan 0.000 0.469 316 E N 1.261 121.460 120.200 -0.002 0.000 2.158 316 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 316 E C 2.220 178.822 176.600 0.003 0.000 0.982 316 E CA 1.214 57.614 56.400 0.000 0.000 0.823 316 E CB -0.211 29.489 29.700 -0.001 0.000 0.766 316 E HN 0.904 nan 8.360 nan 0.000 0.468 317 S N -0.539 115.164 115.700 0.004 0.000 2.515 317 S HA -0.042 4.428 4.470 -0.001 0.000 0.231 317 S C 1.345 175.950 174.600 0.009 0.000 0.987 317 S CA 0.515 58.719 58.200 0.007 0.000 0.936 317 S CB -0.021 63.182 63.200 0.007 0.000 0.766 317 S HN 0.214 nan 8.310 nan 0.000 0.528 318 M N 0.897 120.504 119.600 0.010 0.000 2.778 318 M HA 0.391 4.870 4.480 -0.001 0.000 0.359 318 M C 1.111 177.420 176.300 0.015 0.000 1.216 318 M CA 0.220 55.529 55.300 0.016 0.000 0.935 318 M CB 1.035 33.648 32.600 0.022 0.000 1.330 318 M HN 0.473 nan 8.290 nan 0.000 0.516 319 G N 0.006 108.812 108.800 0.010 0.000 2.175 319 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.244 319 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.244 319 G C 0.327 175.230 174.900 0.006 0.000 0.982 319 G CA -0.243 44.862 45.100 0.010 0.000 0.641 319 G HN 0.641 nan 8.290 nan 0.000 0.527 320 G N -0.467 108.335 108.800 0.003 0.000 2.539 320 G HA2 0.556 4.516 3.960 -0.001 0.000 0.258 320 G HA3 0.556 4.516 3.960 -0.001 0.000 0.258 320 G C 0.025 174.925 174.900 -0.001 0.000 1.202 320 G CA 0.081 45.179 45.100 -0.002 0.000 0.851 320 G HN 0.668 nan 8.290 nan 0.000 0.556 321 R N -0.192 120.307 120.500 -0.002 0.000 2.265 321 R HA 0.472 4.812 4.340 -0.001 0.000 0.319 321 R C -0.569 175.730 176.300 -0.001 0.000 1.006 321 R CA -0.567 55.533 56.100 0.000 0.000 0.880 321 R CB 1.454 31.755 30.300 0.001 0.000 1.077 321 R HN 0.473 nan 8.270 nan 0.000 0.454 322 V N 6.363 126.278 119.914 0.002 0.000 2.459 322 V HA 0.585 4.705 4.120 -0.001 0.000 0.295 322 V C -0.810 175.292 176.094 0.014 0.000 1.029 322 V CA -0.586 61.715 62.300 0.002 0.000 0.874 322 V CB 1.336 33.157 31.823 -0.003 0.000 0.985 322 V HN 0.815 nan 8.190 nan 0.000 0.438 323 I N 7.393 127.973 120.570 0.017 0.000 2.439 323 I HA 0.472 4.642 4.170 -0.001 0.000 0.285 323 I C -0.586 175.564 176.117 0.055 0.000 1.021 323 I CA -0.406 60.916 61.300 0.037 0.000 1.091 323 I CB 1.836 39.849 38.000 0.023 0.000 1.242 323 I HN 0.494 nan 8.210 nan 0.000 0.439 324 I N 7.328 127.961 120.570 0.104 0.000 2.321 324 I HA 0.471 4.641 4.170 -0.001 0.000 0.291 324 I C -0.034 176.252 176.117 0.281 0.000 0.998 324 I CA -0.614 60.779 61.300 0.155 0.000 1.227 324 I CB 1.234 39.297 38.000 0.106 0.000 1.368 324 I HN 0.477 nan 8.210 nan 0.000 0.466 325 I N 4.860 125.567 120.570 0.228 0.000 2.846 325 I HA 0.670 4.839 4.170 -0.001 0.000 0.307 325 I C -2.670 173.619 176.117 0.287 0.000 1.053 325 I CA -2.727 58.699 61.300 0.210 0.000 1.050 325 I CB 2.115 40.160 38.000 0.076 0.000 1.239 325 I HN 0.212 nan 8.210 nan 0.000 0.439 326 P HA 0.046 nan 4.420 nan 0.000 0.268 326 P C 0.826 178.219 177.300 0.155 0.000 1.205 326 P CA 0.156 63.412 63.100 0.261 0.000 0.771 326 P CB 1.066 32.833 31.700 0.112 0.000 0.858 327 G N 2.681 111.574 108.800 0.155 0.000 2.469 327 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 327 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 327 G C 0.766 175.714 174.900 0.080 0.000 1.136 327 G CA 0.425 45.587 45.100 0.103 0.000 0.759 327 G HN 0.531 nan 8.290 nan 0.000 0.562 328 D N 1.034 121.487 120.400 0.089 0.000 2.767 328 D HA 0.233 4.873 4.640 -0.001 0.000 0.231 328 D C 0.183 176.511 176.300 0.045 0.000 1.105 328 D CA 0.328 54.368 54.000 0.067 0.000 1.024 328 D CB -0.184 40.665 40.800 0.081 0.000 1.123 328 D HN 0.366 nan 8.370 nan 0.000 0.470 329 S N -0.894 114.826 115.700 0.033 0.000 2.596 329 S HA 0.434 4.904 4.470 -0.001 0.000 0.270 329 S C -2.437 172.170 174.600 0.011 0.000 1.155 329 S CA -1.131 57.077 58.200 0.013 0.000 0.827 329 S CB 2.422 65.621 63.200 -0.002 0.000 1.130 329 S HN -0.210 nan 8.310 nan 0.000 0.467 330 P HA -0.037 nan 4.420 nan 0.000 0.215 330 P C 1.618 178.923 177.300 0.009 0.000 1.157 330 P CA 2.341 65.442 63.100 0.002 0.000 0.868 330 P CB -0.227 31.469 31.700 -0.007 0.000 0.788 331 A N -0.331 122.492 122.820 0.005 0.000 1.898 331 A HA -0.044 4.276 4.320 -0.001 0.000 0.216 331 A C 2.503 180.095 177.584 0.014 0.000 1.181 331 A CA 1.974 54.013 52.037 0.005 0.000 0.620 331 A CB -1.874 17.122 19.000 -0.007 0.000 0.819 331 A HN 0.273 nan 8.150 nan 0.000 0.442 332 G N -0.370 108.444 108.800 0.022 0.000 2.422 332 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 332 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 332 G C 1.392 176.316 174.900 0.040 0.000 1.146 332 G CA 1.067 46.189 45.100 0.037 0.000 0.769 332 G HN 0.664 nan 8.290 nan 0.000 0.547 333 E N 0.047 120.267 120.200 0.034 0.000 2.072 333 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 333 E C 2.749 179.372 176.600 0.039 0.000 0.985 333 E CA 0.436 56.855 56.400 0.031 0.000 0.801 333 E CB -0.019 29.695 29.700 0.023 0.000 0.750 333 E HN 0.152 nan 8.360 nan 0.000 0.452 334 R N 0.565 121.097 120.500 0.052 0.000 2.152 334 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 334 R C 2.294 178.691 176.300 0.162 0.000 1.117 334 R CA 0.710 56.867 56.100 0.095 0.000 0.981 334 R CB -0.515 29.847 30.300 0.102 0.000 0.870 334 R HN 0.294 nan 8.270 nan 0.000 0.451 335 L N 0.942 122.234 121.223 0.114 0.000 2.201 335 L HA -0.110 4.230 4.340 -0.001 0.000 0.212 335 L C 2.562 179.511 176.870 0.131 0.000 1.105 335 L CA 0.951 55.877 54.840 0.144 0.000 0.775 335 L CB -0.757 41.331 42.059 0.048 0.000 0.913 335 L HN 0.056 nan 8.230 nan 0.000 0.440 336 V N -1.511 118.436 119.914 0.055 0.000 2.392 336 V HA -0.258 3.862 4.120 -0.001 0.000 0.249 336 V C 2.415 178.482 176.094 -0.045 0.000 1.059 336 V CA 2.287 64.597 62.300 0.017 0.000 1.051 336 V CB -0.390 31.437 31.823 0.008 0.000 0.658 336 V HN 0.465 nan 8.190 nan 0.000 0.455 337 S N 0.616 116.219 115.700 -0.162 0.000 2.419 337 S HA -0.054 4.416 4.470 -0.001 0.000 0.235 337 S C 1.244 175.525 174.600 -0.532 0.000 1.019 337 S CA 1.877 59.831 58.200 -0.410 0.000 0.982 337 S CB -0.619 62.170 63.200 -0.686 0.000 0.789 337 S HN 0.739 nan 8.310 nan 0.000 0.490 338 F N 1.257 121.162 119.950 -0.075 0.000 2.668 338 F HA 0.442 4.968 4.527 -0.001 0.000 0.297 338 F C 1.654 177.520 175.800 0.109 0.000 1.124 338 F CA -0.354 57.607 58.000 -0.065 0.000 1.353 338 F CB -0.377 38.442 39.000 -0.302 0.000 0.992 338 F HN 0.254 nan 8.300 nan 0.000 0.524 339 G N 0.207 109.103 108.800 0.160 0.000 2.153 339 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.252 339 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.252 339 G C 1.349 176.314 174.900 0.109 0.000 0.994 339 G CA 0.209 45.388 45.100 0.132 0.000 0.698 339 G HN 1.205 nan 8.290 nan 0.000 0.521 340 G N -3.026 105.837 108.800 0.106 0.000 2.225 340 G HA2 0.054 4.014 3.960 -0.001 0.000 0.254 340 G HA3 0.054 4.014 3.960 -0.001 0.000 0.254 340 G C 0.534 175.461 174.900 0.045 0.000 0.988 340 G CA 1.184 46.326 45.100 0.070 0.000 0.625 340 G HN 2.176 nan 8.290 nan 0.000 0.527 341 V N -0.054 119.893 119.914 0.056 0.000 2.760 341 V HA 0.845 4.964 4.120 -0.001 0.000 0.309 341 V C 0.130 176.209 176.094 -0.026 0.000 1.077 341 V CA -0.825 61.478 62.300 0.006 0.000 0.910 341 V CB 1.818 33.653 31.823 0.020 0.000 1.008 341 V HN 0.993 nan 8.190 nan 0.000 0.424 342 I N 0.674 121.144 120.570 -0.166 0.000 2.892 342 I HA 1.088 5.258 4.170 -0.001 0.000 0.306 342 I C -0.249 175.792 176.117 -0.126 0.000 1.078 342 I CA -1.083 60.038 61.300 -0.299 0.000 1.032 342 I CB 2.337 39.724 38.000 -1.023 0.000 1.229 342 I HN 0.887 nan 8.210 nan 0.000 0.435 343 A N 4.513 127.341 122.820 0.014 0.000 2.422 343 A HA 0.773 5.093 4.320 -0.001 0.000 0.302 343 A C -1.449 176.203 177.584 0.114 0.000 1.041 343 A CA -0.519 51.544 52.037 0.043 0.000 0.708 343 A CB 1.603 20.617 19.000 0.024 0.000 1.257 343 A HN 0.565 nan 8.150 nan 0.000 0.414 344 L N 2.446 123.707 121.223 0.063 0.000 2.265 344 L HA 0.437 4.777 4.340 -0.001 0.000 0.288 344 L C 0.009 176.865 176.870 -0.022 0.000 1.058 344 L CA 0.125 54.993 54.840 0.046 0.000 0.809 344 L CB 0.602 42.681 42.059 0.034 0.000 1.179 344 L HN 0.618 nan 8.230 nan 0.000 0.429 345 L N 3.753 124.942 121.223 -0.056 0.000 2.379 345 L HA 0.403 4.743 4.340 -0.001 0.000 0.269 345 L C 1.347 178.102 176.870 -0.191 0.000 1.084 345 L CA -0.645 54.098 54.840 -0.162 0.000 0.802 345 L CB 1.150 43.097 42.059 -0.186 0.000 1.175 345 L HN 0.601 nan 8.230 nan 0.000 0.448 346 R N 0.970 121.271 120.500 -0.332 0.000 2.153 346 R HA 0.015 4.355 4.340 -0.001 0.000 0.218 346 R C -0.790 175.468 176.300 -0.070 0.000 1.072 346 R CA 0.942 56.928 56.100 -0.189 0.000 0.990 346 R CB 0.133 30.361 30.300 -0.120 0.000 0.889 346 R HN 0.580 nan 8.270 nan 0.000 0.452 347 Y N -3.949 116.355 120.300 0.007 0.000 2.638 347 Y HA 0.536 5.085 4.550 -0.001 0.000 0.335 347 Y C -2.948 172.954 175.900 0.003 0.000 1.155 347 Y CA -3.818 54.284 58.100 0.003 0.000 1.046 347 Y CB 0.467 38.928 38.460 0.003 0.000 1.303 347 Y HN -0.303 nan 8.280 nan 0.000 0.460 348 P HA 0.177 nan 4.420 nan 0.000 0.270 348 P C -0.898 176.507 177.300 0.175 0.000 1.242 348 P CA -0.077 63.096 63.100 0.120 0.000 0.768 348 P CB 0.832 32.583 31.700 0.084 0.000 0.820 349 V N 7.415 127.394 119.914 0.108 0.000 2.350 349 V HA 0.291 4.411 4.120 -0.001 0.000 0.276 349 V C -1.985 174.141 176.094 0.054 0.000 1.028 349 V CA -2.114 60.250 62.300 0.107 0.000 0.860 349 V CB 1.209 33.077 31.823 0.075 0.000 0.990 349 V HN 0.448 nan 8.190 nan 0.000 0.453 350 P HA 0.141 nan 4.420 nan 0.000 0.272 350 P C 0.638 177.949 177.300 0.018 0.000 1.223 350 P CA -0.267 62.850 63.100 0.028 0.000 0.784 350 P CB 0.609 32.324 31.700 0.025 0.000 0.923 351 Q N 1.863 121.668 119.800 0.009 0.000 2.124 351 Q HA -0.178 4.161 4.340 -0.001 0.000 0.202 351 Q C 2.235 178.235 176.000 0.001 0.000 0.977 351 Q CA 2.282 58.085 55.803 0.000 0.000 0.850 351 Q CB -1.282 27.456 28.738 -0.001 0.000 0.901 351 Q HN 0.701 nan 8.270 nan 0.000 0.429 352 E N 1.355 121.558 120.200 0.005 0.000 2.171 352 E HA -0.121 4.229 4.350 -0.001 0.000 0.197 352 E C 1.888 178.492 176.600 0.006 0.000 0.997 352 E CA 1.653 58.056 56.400 0.005 0.000 0.810 352 E CB -0.649 29.055 29.700 0.007 0.000 0.738 352 E HN 0.484 nan 8.360 nan 0.000 0.467 353 A N -0.289 122.538 122.820 0.011 0.000 2.218 353 A HA 0.214 4.533 4.320 -0.001 0.000 0.209 353 A C 2.183 179.775 177.584 0.014 0.000 1.168 353 A CA 0.781 52.828 52.037 0.016 0.000 0.804 353 A CB -0.027 18.990 19.000 0.028 0.000 0.834 353 A HN 0.382 nan 8.150 nan 0.000 0.482 354 R N -0.461 120.042 120.500 0.005 0.000 2.275 354 R HA 0.082 4.422 4.340 -0.001 0.000 0.199 354 R C 1.228 177.526 176.300 -0.005 0.000 0.989 354 R CA 0.222 56.321 56.100 -0.002 0.000 1.016 354 R CB -0.259 30.032 30.300 -0.015 0.000 0.918 354 R HN 0.603 nan 8.270 nan 0.000 0.473 355 R N 0.000 120.498 120.500 -0.003 0.000 2.786 355 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 355 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 355 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 355 R HN 0.000 nan 8.270 nan 0.000 0.535