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 1m5y_1_C DATA FIRST_RESID 25 DATA SEQUENCE VDKVAAVVNN GVVLESDVDG LMQSVKLNAA QARQQLPDDA TLRHQIMERL DATA SEQUENCE IMDQIILQMG QKMGVKISDE QLDQAIANIA KQNNMTLDQM RSRLAYDGLN DATA SEQUENCE YNTYRNQIRK EMIISEVRNN EVRRRITILP QEVESLAQQX XXXXXXXTEL DATA SEQUENCE NLSHILIPLP ENPTSDQVNE AESQARAIVD QARNGADFGK LAIAHSADQQ DATA SEQUENCE ALNGGQMGWG RIQELPGIFA QALSTAKKGD IVGPIRSGVG FHILKVNDLX DATA SEQUENCE XXXXXXXXTE VHARHILLKP SPIMTDEQAR VKLEQIAADI KSGKTTFAAA DATA SEQUENCE AKEFSQDPGS ANQGGDLGWA TPDIFDPAFR DALTRLNKGQ MSAPVHSSFG DATA SEQUENCE WHLIELLDTR NXXXXXXXXX XRAYRMLMNR KFSEEAASWM QEQRASAYVK DATA SEQUENCE ILS 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 25 V HA 0.000 nan 4.120 nan 0.000 0.244 25 V C 0.000 176.092 176.094 -0.003 0.000 1.182 25 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 25 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 26 D N 4.646 125.044 120.400 -0.004 0.000 2.441 26 D HA 0.324 4.964 4.640 0.000 0.000 0.221 26 D C 0.569 176.865 176.300 -0.007 0.000 1.156 26 D CA -0.158 53.839 54.000 -0.005 0.000 0.896 26 D CB 0.760 41.557 40.800 -0.005 0.000 1.028 26 D HN 0.387 nan 8.370 nan 0.000 0.509 27 K N 1.338 121.733 120.400 -0.008 0.000 2.402 27 K HA 0.111 4.431 4.320 0.000 0.000 0.265 27 K C -0.174 176.418 176.600 -0.013 0.000 0.978 27 K CA -0.238 56.043 56.287 -0.010 0.000 0.913 27 K CB 0.563 33.058 32.500 -0.009 0.000 0.954 27 K HN 0.153 nan 8.250 nan 0.000 0.511 28 V N 1.572 121.476 119.914 -0.016 0.000 2.394 28 V HA 0.186 4.306 4.120 0.000 0.000 0.282 28 V C 1.063 177.142 176.094 -0.026 0.000 1.031 28 V CA -0.176 62.110 62.300 -0.022 0.000 0.881 28 V CB 1.205 33.014 31.823 -0.024 0.000 0.982 28 V HN 0.906 nan 8.190 nan 0.000 0.451 29 A N 3.979 126.780 122.820 -0.030 0.000 1.984 29 A HA 0.739 5.059 4.320 0.000 0.000 0.214 29 A C 0.948 178.507 177.584 -0.043 0.000 1.173 29 A CA 0.972 52.990 52.037 -0.032 0.000 0.673 29 A CB 0.124 19.106 19.000 -0.031 0.000 0.830 29 A HN 1.345 nan 8.150 nan 0.000 0.453 30 A N -1.630 121.157 122.820 -0.055 0.000 2.594 30 A HA 0.544 4.864 4.320 0.000 0.000 0.296 30 A C -1.127 176.398 177.584 -0.099 0.000 1.056 30 A CA -0.400 51.590 52.037 -0.079 0.000 0.693 30 A CB 0.548 19.499 19.000 -0.083 0.000 1.278 30 A HN 0.477 nan 8.150 nan 0.000 0.408 31 V N 0.714 120.540 119.914 -0.147 0.000 2.539 31 V HA 0.652 4.772 4.120 0.000 0.000 0.292 31 V C -0.333 175.618 176.094 -0.238 0.000 1.045 31 V CA -0.519 61.673 62.300 -0.180 0.000 0.945 31 V CB 1.491 33.174 31.823 -0.233 0.000 0.993 31 V HN 0.765 nan 8.190 nan 0.000 0.464 32 V N 5.139 124.949 119.914 -0.173 0.000 2.462 32 V HA 0.413 4.533 4.120 0.000 0.000 0.288 32 V C 0.369 176.419 176.094 -0.073 0.000 1.020 32 V CA -0.604 61.608 62.300 -0.146 0.000 0.857 32 V CB 0.824 32.590 31.823 -0.095 0.000 1.013 32 V HN 1.001 nan 8.190 nan 0.000 0.431 33 N N 3.289 121.970 118.700 -0.031 0.000 1.211 33 N HA -0.288 4.452 4.740 0.000 0.000 0.135 33 N C 0.635 176.222 175.510 0.128 0.000 0.603 33 N CA 1.927 55.062 53.050 0.141 0.000 0.964 33 N CB -0.532 38.002 38.487 0.078 0.000 1.307 33 N HN 0.709 nan 8.380 nan 0.000 0.501 34 N N 3.061 121.805 118.700 0.073 0.000 3.259 34 N HA 0.403 5.143 4.740 0.000 0.000 0.308 34 N C 0.408 175.934 175.510 0.028 0.000 1.334 34 N CA 0.824 53.907 53.050 0.054 0.000 1.202 34 N CB -0.202 38.309 38.487 0.040 0.000 1.485 34 N HN 0.620 nan 8.380 nan 0.000 0.549 35 G N -1.401 107.409 108.800 0.017 0.000 2.324 35 G HA2 0.305 4.265 3.960 0.000 0.000 0.293 35 G HA3 0.305 4.265 3.960 0.000 0.000 0.293 35 G C -1.394 173.490 174.900 -0.026 0.000 1.297 35 G CA -0.442 44.656 45.100 -0.004 0.000 0.853 35 G HN 0.103 nan 8.290 nan 0.000 0.535 36 V N -3.108 116.789 119.914 -0.029 0.000 3.160 36 V HA 0.907 5.027 4.120 0.000 0.000 0.310 36 V C -0.597 175.472 176.094 -0.041 0.000 1.181 36 V CA -1.168 61.107 62.300 -0.043 0.000 1.047 36 V CB 1.683 33.486 31.823 -0.034 0.000 1.068 36 V HN 1.066 nan 8.190 nan 0.000 0.441 37 V N 2.733 122.618 119.914 -0.048 0.000 2.313 37 V HA 0.403 4.523 4.120 0.000 0.000 0.278 37 V C 0.084 176.157 176.094 -0.035 0.000 1.017 37 V CA -0.291 61.983 62.300 -0.043 0.000 0.823 37 V CB 0.931 32.722 31.823 -0.053 0.000 1.010 37 V HN 0.734 nan 8.190 nan 0.000 0.443 38 L N 3.060 124.267 121.223 -0.027 0.000 2.456 38 L HA 0.192 4.532 4.340 0.000 0.000 0.272 38 L C 1.741 178.599 176.870 -0.020 0.000 1.189 38 L CA -0.083 54.745 54.840 -0.021 0.000 0.846 38 L CB 0.694 42.743 42.059 -0.016 0.000 1.111 38 L HN 0.603 nan 8.230 nan 0.000 0.475 39 E N 1.094 121.284 120.200 -0.017 0.000 2.118 39 E HA -0.205 4.145 4.350 0.000 0.000 0.195 39 E C 2.038 178.631 176.600 -0.012 0.000 0.992 39 E CA 1.753 58.144 56.400 -0.014 0.000 0.804 39 E CB 0.062 29.755 29.700 -0.012 0.000 0.741 39 E HN 0.746 nan 8.360 nan 0.000 0.458 40 S N 0.357 116.051 115.700 -0.010 0.000 2.356 40 S HA -0.194 4.276 4.470 0.000 0.000 0.223 40 S C 1.609 176.204 174.600 -0.008 0.000 1.032 40 S CA 1.371 59.567 58.200 -0.007 0.000 1.005 40 S CB -0.563 62.633 63.200 -0.005 0.000 0.867 40 S HN 0.197 nan 8.310 nan 0.000 0.449 41 D N 1.544 121.937 120.400 -0.012 0.000 2.158 41 D HA -0.066 4.574 4.640 0.000 0.000 0.197 41 D C 2.127 178.417 176.300 -0.016 0.000 0.995 41 D CA 1.113 55.104 54.000 -0.015 0.000 0.846 41 D CB -0.774 40.014 40.800 -0.020 0.000 0.941 41 D HN 0.361 nan 8.370 nan 0.000 0.456 42 V N 1.718 121.621 119.914 -0.018 0.000 2.343 42 V HA -0.204 3.916 4.120 0.000 0.000 0.247 42 V C 1.914 178.000 176.094 -0.013 0.000 1.051 42 V CA 1.733 64.021 62.300 -0.019 0.000 1.036 42 V CB -0.343 31.468 31.823 -0.020 0.000 0.654 42 V HN 0.116 nan 8.190 nan 0.000 0.451 43 D N 0.538 120.933 120.400 -0.009 0.000 2.117 43 D HA -0.135 4.505 4.640 0.000 0.000 0.197 43 D C 2.180 178.480 176.300 -0.001 0.000 0.987 43 D CA 1.713 55.711 54.000 -0.005 0.000 0.829 43 D CB -0.552 40.247 40.800 -0.003 0.000 0.961 43 D HN 0.491 nan 8.370 nan 0.000 0.460 44 G N 1.216 110.016 108.800 -0.001 0.000 2.446 44 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 44 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 44 G C 1.622 176.525 174.900 0.004 0.000 1.168 44 G CA 0.472 45.575 45.100 0.005 0.000 0.771 44 G HN 0.198 nan 8.290 nan 0.000 0.551 45 L N -0.010 121.211 121.223 -0.003 0.000 2.093 45 L HA 0.109 4.449 4.340 0.000 0.000 0.208 45 L C 2.726 179.593 176.870 -0.004 0.000 1.085 45 L CA 2.111 56.948 54.840 -0.005 0.000 0.755 45 L CB -0.512 41.538 42.059 -0.014 0.000 0.904 45 L HN 0.291 nan 8.230 nan 0.000 0.435 46 M N -1.035 118.562 119.600 -0.006 0.000 2.065 46 M HA -0.235 4.245 4.480 0.000 0.000 0.259 46 M C 2.146 178.447 176.300 0.001 0.000 1.069 46 M CA 1.781 57.078 55.300 -0.005 0.000 1.110 46 M CB -0.526 32.071 32.600 -0.006 0.000 1.328 46 M HN 0.230 nan 8.290 nan 0.000 0.405 47 Q N -0.671 119.132 119.800 0.004 0.000 2.170 47 Q HA -0.140 4.200 4.340 0.000 0.000 0.203 47 Q C 2.400 178.408 176.000 0.013 0.000 0.976 47 Q CA 1.753 57.561 55.803 0.009 0.000 0.858 47 Q CB -0.885 27.860 28.738 0.011 0.000 0.907 47 Q HN 0.685 nan 8.270 nan 0.000 0.433 48 S N -0.257 115.451 115.700 0.014 0.000 2.348 48 S HA -0.115 4.355 4.470 0.000 0.000 0.221 48 S C 2.041 176.650 174.600 0.016 0.000 1.033 48 S CA 1.366 59.577 58.200 0.019 0.000 1.010 48 S CB -0.170 63.041 63.200 0.019 0.000 0.891 48 S HN 0.192 nan 8.310 nan 0.000 0.442 49 V N 2.602 122.522 119.914 0.009 0.000 2.332 49 V HA -0.151 3.969 4.120 0.000 0.000 0.248 49 V C 2.732 178.831 176.094 0.008 0.000 1.055 49 V CA 1.749 64.053 62.300 0.007 0.000 1.038 49 V CB -0.608 31.214 31.823 -0.001 0.000 0.651 49 V HN 0.386 nan 8.190 nan 0.000 0.450 50 K N -0.416 119.988 120.400 0.007 0.000 1.991 50 K HA -0.176 4.144 4.320 0.000 0.000 0.212 50 K C 2.056 178.663 176.600 0.012 0.000 1.049 50 K CA 1.498 57.789 56.287 0.008 0.000 0.932 50 K CB -0.835 31.669 32.500 0.007 0.000 0.717 50 K HN 0.256 nan 8.250 nan 0.000 0.441 51 L N 2.182 123.414 121.223 0.015 0.000 1.955 51 L HA -0.199 4.141 4.340 0.000 0.000 0.213 51 L C 1.998 178.880 176.870 0.020 0.000 1.072 51 L CA 1.659 56.510 54.840 0.019 0.000 0.755 51 L CB -1.133 40.939 42.059 0.022 0.000 0.888 51 L HN 0.226 nan 8.230 nan 0.000 0.432 52 N N -0.359 118.354 118.700 0.022 0.000 2.184 52 N HA -0.228 4.512 4.740 0.000 0.000 0.190 52 N C 1.728 177.251 175.510 0.021 0.000 1.011 52 N CA 1.565 54.629 53.050 0.023 0.000 0.867 52 N CB -0.280 38.221 38.487 0.025 0.000 0.993 52 N HN 0.450 nan 8.380 nan 0.000 0.433 53 A N 0.905 123.735 122.820 0.017 0.000 1.873 53 A HA 0.091 4.411 4.320 0.000 0.000 0.215 53 A C 2.427 180.021 177.584 0.017 0.000 1.186 53 A CA 1.768 53.814 52.037 0.016 0.000 0.616 53 A CB -0.760 18.246 19.000 0.011 0.000 0.823 53 A HN 0.319 nan 8.150 nan 0.000 0.442 54 A N -1.102 121.727 122.820 0.016 0.000 1.845 54 A HA -0.201 4.119 4.320 0.000 0.000 0.215 54 A C 2.066 179.661 177.584 0.018 0.000 1.195 54 A CA 1.616 53.662 52.037 0.016 0.000 0.616 54 A CB -0.628 18.381 19.000 0.015 0.000 0.832 54 A HN 0.490 nan 8.150 nan 0.000 0.443 55 Q N -0.325 119.487 119.800 0.020 0.000 2.631 55 Q HA 0.021 4.361 4.340 0.000 0.000 0.220 55 Q C 0.877 176.891 176.000 0.023 0.000 0.978 55 Q CA 0.940 56.756 55.803 0.022 0.000 0.961 55 Q CB -0.239 28.513 28.738 0.023 0.000 0.988 55 Q HN 0.601 nan 8.270 nan 0.000 0.567 56 A N -0.301 122.533 122.820 0.023 0.000 2.701 56 A HA 0.233 4.553 4.320 0.000 0.000 0.241 56 A C 0.029 177.627 177.584 0.024 0.000 1.231 56 A CA -0.330 51.722 52.037 0.025 0.000 1.003 56 A CB 0.494 19.510 19.000 0.026 0.000 1.281 56 A HN 0.398 nan 8.150 nan 0.000 0.600 57 R N -0.587 119.925 120.500 0.021 0.000 3.146 57 R HA -0.180 4.160 4.340 0.000 0.000 0.250 57 R C -0.371 175.942 176.300 0.021 0.000 0.912 57 R CA 1.021 57.133 56.100 0.020 0.000 0.633 57 R CB -1.621 28.691 30.300 0.021 0.000 1.180 57 R HN 0.650 nan 8.270 nan 0.000 0.464 58 Q N 1.122 120.934 119.800 0.020 0.000 2.321 58 Q HA 0.260 4.600 4.340 0.000 0.000 0.270 58 Q C -0.870 175.140 176.000 0.017 0.000 1.032 58 Q CA -0.650 55.166 55.803 0.021 0.000 0.784 58 Q CB 1.516 30.267 28.738 0.022 0.000 1.264 58 Q HN 0.257 nan 8.270 nan 0.000 0.448 59 Q N 2.743 122.553 119.800 0.018 0.000 2.332 59 Q HA 0.370 4.710 4.340 0.000 0.000 0.263 59 Q C -0.620 175.384 176.000 0.007 0.000 0.979 59 Q CA 0.118 55.929 55.803 0.013 0.000 0.885 59 Q CB 0.903 29.651 28.738 0.016 0.000 1.218 59 Q HN 0.593 nan 8.270 nan 0.000 0.405 60 L N 4.109 125.333 121.223 0.002 0.000 2.334 60 L HA 0.562 4.903 4.340 0.000 0.000 0.273 60 L C -1.951 174.912 176.870 -0.010 0.000 1.013 60 L CA -2.225 52.612 54.840 -0.006 0.000 0.816 60 L CB 1.428 43.483 42.059 -0.006 0.000 1.278 60 L HN 0.518 nan 8.230 nan 0.000 0.431 61 P HA 0.062 nan 4.420 nan 0.000 0.275 61 P C -1.245 176.042 177.300 -0.022 0.000 1.266 61 P CA -0.551 62.533 63.100 -0.025 0.000 0.793 61 P CB 0.322 31.991 31.700 -0.051 0.000 1.074 62 D N 0.245 120.632 120.400 -0.020 0.000 2.472 62 D HA -0.086 4.554 4.640 0.000 0.000 0.237 62 D C 0.231 176.520 176.300 -0.018 0.000 1.141 62 D CA -0.033 53.956 54.000 -0.017 0.000 0.875 62 D CB 0.360 41.151 40.800 -0.016 0.000 1.192 62 D HN 0.180 nan 8.370 nan 0.000 0.450 63 D N 1.576 121.968 120.400 -0.013 0.000 2.292 63 D HA -0.187 4.453 4.640 0.000 0.000 0.205 63 D C 1.860 178.154 176.300 -0.010 0.000 0.994 63 D CA 1.708 55.702 54.000 -0.010 0.000 0.897 63 D CB -0.207 40.588 40.800 -0.007 0.000 0.907 63 D HN 0.609 nan 8.370 nan 0.000 0.467 64 A N 0.074 122.885 122.820 -0.014 0.000 1.832 64 A HA -0.157 4.163 4.320 0.000 0.000 0.214 64 A C 2.388 179.967 177.584 -0.009 0.000 1.200 64 A CA 2.122 54.150 52.037 -0.014 0.000 0.610 64 A CB -1.006 17.979 19.000 -0.025 0.000 0.842 64 A HN 0.233 nan 8.150 nan 0.000 0.444 65 T N 0.431 114.968 114.554 -0.029 0.000 2.665 65 T HA -0.190 4.160 4.350 0.000 0.000 0.268 65 T C 1.831 176.533 174.700 0.003 0.000 1.035 65 T CA 1.620 63.698 62.100 -0.038 0.000 1.151 65 T CB -0.523 68.290 68.868 -0.092 0.000 0.862 65 T HN 0.218 nan 8.240 nan 0.000 0.438 66 L N 1.546 122.759 121.223 -0.017 0.000 1.997 66 L HA -0.125 4.215 4.340 0.000 0.000 0.216 66 L C 2.595 179.463 176.870 -0.002 0.000 1.074 66 L CA 1.851 56.682 54.840 -0.016 0.000 0.763 66 L CB -0.770 41.278 42.059 -0.018 0.000 0.890 66 L HN 0.150 nan 8.230 nan 0.000 0.434 67 R N -1.758 118.747 120.500 0.008 0.000 2.096 67 R HA -0.295 4.045 4.340 0.000 0.000 0.240 67 R C 2.390 178.701 176.300 0.019 0.000 1.139 67 R CA 2.008 58.114 56.100 0.009 0.000 0.952 67 R CB -0.551 29.757 30.300 0.013 0.000 0.854 67 R HN 0.603 nan 8.270 nan 0.000 0.436 68 H N 0.475 119.514 119.070 -0.052 0.000 2.265 68 H HA -0.166 4.391 4.556 0.000 0.000 0.293 68 H C 2.132 177.426 175.328 -0.057 0.000 1.089 68 H CA 2.469 58.484 56.048 -0.055 0.000 1.244 68 H CB -0.126 29.596 29.762 -0.065 0.000 1.355 68 H HN 0.238 nan 8.280 nan 0.000 0.485 69 Q N 0.117 119.843 119.800 -0.124 0.000 2.096 69 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 69 Q C 2.849 178.763 176.000 -0.144 0.000 0.982 69 Q CA 1.676 57.380 55.803 -0.165 0.000 0.850 69 Q CB -0.407 28.284 28.738 -0.080 0.000 0.901 69 Q HN 0.595 nan 8.270 nan 0.000 0.422 70 I N 0.208 120.723 120.570 -0.092 0.000 2.163 70 I HA -0.302 3.868 4.170 0.000 0.000 0.243 70 I C 2.383 178.445 176.117 -0.092 0.000 1.085 70 I CA 0.889 62.146 61.300 -0.072 0.000 1.347 70 I CB -0.275 37.699 38.000 -0.044 0.000 1.044 70 I HN 0.214 nan 8.210 nan 0.000 0.408 71 M N 0.006 119.539 119.600 -0.113 0.000 2.065 71 M HA -0.227 4.254 4.480 0.000 0.000 0.259 71 M C 2.308 178.516 176.300 -0.153 0.000 1.071 71 M CA 1.813 57.041 55.300 -0.119 0.000 1.109 71 M CB -1.261 31.269 32.600 -0.117 0.000 1.313 71 M HN 0.165 nan 8.290 nan 0.000 0.408 72 E N -0.114 119.941 120.200 -0.242 0.000 2.114 72 E HA -0.244 4.106 4.350 0.000 0.000 0.199 72 E C 2.016 178.535 176.600 -0.135 0.000 1.008 72 E CA 1.461 57.729 56.400 -0.220 0.000 0.810 72 E CB -0.508 29.012 29.700 -0.300 0.000 0.739 72 E HN 0.337 nan 8.360 nan 0.000 0.456 73 R N 0.792 121.225 120.500 -0.113 0.000 2.066 73 R HA -0.018 4.322 4.340 0.000 0.000 0.232 73 R C 2.495 178.758 176.300 -0.061 0.000 1.131 73 R CA 1.064 57.122 56.100 -0.070 0.000 0.955 73 R CB -0.762 29.507 30.300 -0.053 0.000 0.851 73 R HN 0.169 nan 8.270 nan 0.000 0.432 74 L N 0.014 121.198 121.223 -0.065 0.000 2.017 74 L HA -0.164 4.176 4.340 0.000 0.000 0.208 74 L C 2.446 179.280 176.870 -0.061 0.000 1.073 74 L CA 1.610 56.417 54.840 -0.055 0.000 0.745 74 L CB -0.508 41.520 42.059 -0.053 0.000 0.894 74 L HN 0.211 nan 8.230 nan 0.000 0.432 75 I N -0.827 119.696 120.570 -0.078 0.000 2.151 75 I HA -0.376 3.794 4.170 0.000 0.000 0.243 75 I C 2.646 178.715 176.117 -0.080 0.000 1.080 75 I CA 1.463 62.713 61.300 -0.083 0.000 1.339 75 I CB -0.252 37.689 38.000 -0.099 0.000 1.039 75 I HN 0.325 nan 8.210 nan 0.000 0.409 76 M N 0.997 120.548 119.600 -0.081 0.000 2.086 76 M HA -0.229 4.251 4.480 0.000 0.000 0.261 76 M C 1.672 177.942 176.300 -0.050 0.000 1.067 76 M CA 1.922 57.174 55.300 -0.080 0.000 1.116 76 M CB -0.573 31.984 32.600 -0.071 0.000 1.348 76 M HN 0.076 nan 8.290 nan 0.000 0.407 77 D N -0.506 119.875 120.400 -0.032 0.000 2.149 77 D HA -0.192 4.448 4.640 0.000 0.000 0.198 77 D C 1.972 178.264 176.300 -0.013 0.000 0.990 77 D CA 1.203 55.197 54.000 -0.010 0.000 0.839 77 D CB -0.297 40.495 40.800 -0.013 0.000 0.948 77 D HN 0.434 nan 8.370 nan 0.000 0.460 78 Q N 0.465 120.246 119.800 -0.031 0.000 2.020 78 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 78 Q C 2.243 178.226 176.000 -0.027 0.000 0.982 78 Q CA 1.039 56.824 55.803 -0.030 0.000 0.838 78 Q CB -0.470 28.242 28.738 -0.043 0.000 0.899 78 Q HN 0.315 nan 8.270 nan 0.000 0.423 79 I N 0.286 120.826 120.570 -0.049 0.000 2.069 79 I HA -0.306 3.864 4.170 0.000 0.000 0.237 79 I C 2.237 178.337 176.117 -0.028 0.000 1.053 79 I CA 1.618 62.883 61.300 -0.058 0.000 1.311 79 I CB -0.613 37.317 38.000 -0.117 0.000 1.030 79 I HN 0.382 nan 8.210 nan 0.000 0.398 80 I N -0.528 120.032 120.570 -0.017 0.000 2.916 80 I HA -0.199 3.971 4.170 0.000 0.000 0.267 80 I C 1.988 178.158 176.117 0.089 0.000 1.263 80 I CA 1.480 62.829 61.300 0.081 0.000 1.471 80 I CB -0.151 37.952 38.000 0.171 0.000 1.089 80 I HN 0.124 nan 8.210 nan 0.000 0.468 81 L N 0.493 121.741 121.223 0.043 0.000 2.102 81 L HA -0.008 4.332 4.340 0.000 0.000 0.202 81 L C 2.540 179.429 176.870 0.032 0.000 1.076 81 L CA 1.677 56.538 54.840 0.035 0.000 0.761 81 L CB -0.891 41.176 42.059 0.013 0.000 0.921 81 L HN 0.333 nan 8.230 nan 0.000 0.444 82 Q N -1.209 118.605 119.800 0.023 0.000 2.096 82 Q HA -0.289 4.051 4.340 0.000 0.000 0.204 82 Q C 2.259 178.281 176.000 0.037 0.000 0.982 82 Q CA 2.166 57.982 55.803 0.022 0.000 0.850 82 Q CB -0.355 28.392 28.738 0.015 0.000 0.901 82 Q HN 0.486 nan 8.270 nan 0.000 0.422 83 M N 0.304 119.935 119.600 0.052 0.000 2.082 83 M HA -0.182 4.298 4.480 0.000 0.000 0.258 83 M C 2.032 178.376 176.300 0.074 0.000 1.069 83 M CA 2.117 57.464 55.300 0.078 0.000 1.102 83 M CB -0.467 32.211 32.600 0.131 0.000 1.336 83 M HN 0.323 nan 8.290 nan 0.000 0.404 84 G N -0.816 108.027 108.800 0.072 0.000 2.442 84 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 84 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 84 G C 1.291 176.213 174.900 0.037 0.000 1.141 84 G CA 1.111 46.244 45.100 0.055 0.000 0.763 84 G HN 0.638 nan 8.290 nan 0.000 0.554 85 Q N 0.250 120.069 119.800 0.032 0.000 1.993 85 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 85 Q C 2.486 178.500 176.000 0.024 0.000 0.984 85 Q CA 1.830 57.647 55.803 0.023 0.000 0.837 85 Q CB -0.278 28.472 28.738 0.019 0.000 0.902 85 Q HN 0.501 nan 8.270 nan 0.000 0.423 86 K N 0.529 120.947 120.400 0.029 0.000 1.987 86 K HA -0.200 4.120 4.320 0.000 0.000 0.216 86 K C 1.817 178.434 176.600 0.028 0.000 1.051 86 K CA 2.085 58.389 56.287 0.028 0.000 0.942 86 K CB -0.383 32.137 32.500 0.033 0.000 0.722 86 K HN 0.468 nan 8.250 nan 0.000 0.444 87 M N 0.200 119.821 119.600 0.034 0.000 2.814 87 M HA 0.211 4.691 4.480 0.000 0.000 0.203 87 M C 0.343 176.657 176.300 0.023 0.000 1.193 87 M CA 0.691 56.009 55.300 0.030 0.000 1.040 87 M CB -0.679 31.943 32.600 0.037 0.000 1.796 87 M HN 0.236 nan 8.290 nan 0.000 0.454 88 G N 1.647 110.459 108.800 0.020 0.000 2.196 88 G HA2 -0.151 3.809 3.960 0.000 0.000 0.261 88 G HA3 -0.151 3.809 3.960 0.000 0.000 0.261 88 G C -0.323 174.585 174.900 0.014 0.000 0.832 88 G CA 0.043 45.152 45.100 0.015 0.000 1.246 88 G HN 0.525 nan 8.290 nan 0.000 0.383 89 V N 3.133 123.056 119.914 0.015 0.000 2.350 89 V HA 0.507 4.627 4.120 0.000 0.000 0.276 89 V C 0.362 176.461 176.094 0.008 0.000 1.028 89 V CA -0.531 61.776 62.300 0.013 0.000 0.860 89 V CB 1.582 33.416 31.823 0.018 0.000 0.990 89 V HN 0.446 nan 8.190 nan 0.000 0.453 90 K N 4.153 124.556 120.400 0.005 0.000 2.318 90 K HA 0.682 5.002 4.320 0.000 0.000 0.249 90 K C -1.343 175.257 176.600 -0.000 0.000 0.942 90 K CA -0.787 55.502 56.287 0.002 0.000 0.808 90 K CB 2.789 35.290 32.500 0.003 0.000 1.189 90 K HN 0.435 nan 8.250 nan 0.000 0.428 91 I N 1.424 121.992 120.570 -0.004 0.000 2.411 91 I HA 0.086 4.256 4.170 0.000 0.000 0.284 91 I C 0.424 176.538 176.117 -0.004 0.000 1.012 91 I CA -0.369 60.928 61.300 -0.005 0.000 1.119 91 I CB 1.527 39.520 38.000 -0.012 0.000 1.261 91 I HN 0.469 nan 8.210 nan 0.000 0.448 92 S N 2.369 118.069 115.700 0.000 0.000 2.562 92 S HA 0.111 4.581 4.470 0.000 0.000 0.281 92 S C 0.674 175.278 174.600 0.006 0.000 1.333 92 S CA -0.384 57.818 58.200 0.004 0.000 1.052 92 S CB 0.645 63.848 63.200 0.006 0.000 0.884 92 S HN 0.608 nan 8.310 nan 0.000 0.506 93 D N 1.423 121.829 120.400 0.010 0.000 2.190 93 D HA -0.156 4.484 4.640 0.000 0.000 0.200 93 D C 1.708 178.023 176.300 0.025 0.000 0.992 93 D CA 1.764 55.775 54.000 0.018 0.000 0.854 93 D CB -0.121 40.694 40.800 0.026 0.000 0.936 93 D HN 0.888 nan 8.370 nan 0.000 0.462 94 E N 0.311 120.524 120.200 0.022 0.000 2.085 94 E HA -0.261 4.089 4.350 0.000 0.000 0.194 94 E C 1.841 178.454 176.600 0.021 0.000 0.994 94 E CA 1.092 57.506 56.400 0.023 0.000 0.801 94 E CB 0.091 29.801 29.700 0.017 0.000 0.743 94 E HN 0.404 nan 8.360 nan 0.000 0.453 95 Q N 0.301 120.110 119.800 0.014 0.000 2.083 95 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 95 Q C 2.471 178.479 176.000 0.013 0.000 0.969 95 Q CA 0.850 56.660 55.803 0.011 0.000 0.838 95 Q CB -0.104 28.637 28.738 0.004 0.000 0.900 95 Q HN 0.330 nan 8.270 nan 0.000 0.436 96 L N 1.361 122.590 121.223 0.011 0.000 1.971 96 L HA -0.291 4.049 4.340 0.000 0.000 0.215 96 L C 1.806 178.696 176.870 0.034 0.000 1.072 96 L CA 1.562 56.406 54.840 0.007 0.000 0.758 96 L CB -0.381 41.674 42.059 -0.006 0.000 0.889 96 L HN 0.295 nan 8.230 nan 0.000 0.433 97 D N -0.911 119.520 120.400 0.052 0.000 2.133 97 D HA -0.286 4.354 4.640 0.000 0.000 0.195 97 D C 2.036 178.376 176.300 0.067 0.000 0.997 97 D CA 1.431 55.480 54.000 0.082 0.000 0.840 97 D CB -0.239 40.608 40.800 0.079 0.000 0.947 97 D HN 0.333 nan 8.370 nan 0.000 0.452 98 Q N 1.034 120.860 119.800 0.045 0.000 2.084 98 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 98 Q C 1.954 177.977 176.000 0.038 0.000 0.978 98 Q CA 1.973 57.798 55.803 0.036 0.000 0.844 98 Q CB -0.517 28.235 28.738 0.023 0.000 0.898 98 Q HN 0.227 nan 8.270 nan 0.000 0.426 99 A N 0.294 123.135 122.820 0.034 0.000 1.858 99 A HA -0.160 4.160 4.320 0.000 0.000 0.216 99 A C 2.182 179.800 177.584 0.057 0.000 1.190 99 A CA 1.643 53.699 52.037 0.032 0.000 0.617 99 A CB -0.905 18.103 19.000 0.014 0.000 0.827 99 A HN 0.467 nan 8.150 nan 0.000 0.443 100 I N -0.051 120.568 120.570 0.082 0.000 2.194 100 I HA -0.344 3.826 4.170 0.000 0.000 0.246 100 I C 2.994 179.183 176.117 0.120 0.000 1.093 100 I CA 1.164 62.549 61.300 0.143 0.000 1.355 100 I CB -0.473 37.650 38.000 0.206 0.000 1.046 100 I HN 0.383 nan 8.210 nan 0.000 0.413 101 A N 1.152 124.028 122.820 0.093 0.000 1.892 101 A HA -0.260 4.060 4.320 0.000 0.000 0.218 101 A C 2.106 179.722 177.584 0.054 0.000 1.188 101 A CA 2.211 54.289 52.037 0.068 0.000 0.631 101 A CB -0.812 18.220 19.000 0.053 0.000 0.822 101 A HN 0.472 nan 8.150 nan 0.000 0.447 102 N N 0.010 118.739 118.700 0.049 0.000 2.166 102 N HA -0.100 4.640 4.740 0.000 0.000 0.186 102 N C 1.706 177.243 175.510 0.046 0.000 1.019 102 N CA 1.637 54.710 53.050 0.039 0.000 0.856 102 N CB -0.410 38.095 38.487 0.030 0.000 0.993 102 N HN 0.612 nan 8.380 nan 0.000 0.426 103 I N 1.116 121.725 120.570 0.064 0.000 2.315 103 I HA -0.191 3.979 4.170 0.000 0.000 0.248 103 I C 2.420 178.576 176.117 0.066 0.000 1.117 103 I CA 0.713 62.058 61.300 0.074 0.000 1.404 103 I CB -0.345 37.723 38.000 0.114 0.000 1.071 103 I HN 0.030 nan 8.210 nan 0.000 0.419 104 A N 1.235 124.095 122.820 0.065 0.000 1.877 104 A HA -0.182 4.138 4.320 0.000 0.000 0.216 104 A C 2.316 179.918 177.584 0.031 0.000 1.186 104 A CA 1.480 53.545 52.037 0.046 0.000 0.620 104 A CB -0.309 18.719 19.000 0.046 0.000 0.822 104 A HN 0.214 nan 8.150 nan 0.000 0.443 105 K N -0.481 119.937 120.400 0.030 0.000 2.057 105 K HA -0.141 4.179 4.320 0.000 0.000 0.206 105 K C 2.003 178.615 176.600 0.020 0.000 1.050 105 K CA 1.619 57.918 56.287 0.021 0.000 0.935 105 K CB -0.560 31.952 32.500 0.019 0.000 0.715 105 K HN 0.565 nan 8.250 nan 0.000 0.439 106 Q N 1.020 120.836 119.800 0.027 0.000 2.364 106 Q HA -0.023 4.317 4.340 0.000 0.000 0.209 106 Q C 0.704 176.720 176.000 0.026 0.000 0.977 106 Q CA 1.002 56.821 55.803 0.027 0.000 0.885 106 Q CB 0.129 28.887 28.738 0.032 0.000 0.941 106 Q HN 0.211 nan 8.270 nan 0.000 0.464 107 N N 0.091 118.807 118.700 0.026 0.000 2.282 107 N HA 0.133 4.873 4.740 0.000 0.000 0.240 107 N C -1.086 174.432 175.510 0.012 0.000 1.182 107 N CA 0.074 53.137 53.050 0.022 0.000 0.874 107 N CB 0.337 38.841 38.487 0.028 0.000 1.126 107 N HN 0.304 nan 8.380 nan 0.000 0.516 108 N N 1.058 119.764 118.700 0.010 0.000 2.746 108 N HA -0.164 4.576 4.740 0.000 0.000 0.250 108 N C -0.640 174.869 175.510 -0.002 0.000 1.055 108 N CA 0.535 53.587 53.050 0.003 0.000 0.699 108 N CB -0.969 37.518 38.487 -0.000 0.000 0.919 108 N HN 0.401 nan 8.380 nan 0.000 0.548 109 M N -3.541 116.060 119.600 0.002 0.000 2.773 109 M HA 0.469 4.949 4.480 0.000 0.000 0.270 109 M C -0.269 176.032 176.300 0.001 0.000 1.238 109 M CA -0.979 54.319 55.300 -0.003 0.000 0.832 109 M CB 1.619 34.213 32.600 -0.009 0.000 1.672 109 M HN -0.016 nan 8.290 nan 0.000 0.480 110 T N -1.072 113.479 114.554 -0.005 0.000 2.927 110 T HA 0.447 4.797 4.350 0.000 0.000 0.281 110 T C 0.753 175.453 174.700 0.000 0.000 0.998 110 T CA -0.856 61.243 62.100 -0.002 0.000 1.019 110 T CB 1.729 70.592 68.868 -0.008 0.000 1.061 110 T HN 0.696 nan 8.240 nan 0.000 0.518 111 L N 0.985 122.212 121.223 0.007 0.000 1.990 111 L HA -0.131 4.209 4.340 0.000 0.000 0.213 111 L C 2.150 179.007 176.870 -0.021 0.000 1.072 111 L CA 2.120 56.968 54.840 0.013 0.000 0.755 111 L CB -0.915 41.158 42.059 0.023 0.000 0.889 111 L HN 0.768 nan 8.230 nan 0.000 0.432 112 D N -1.140 119.239 120.400 -0.035 0.000 2.104 112 D HA -0.276 4.364 4.640 0.000 0.000 0.194 112 D C 2.044 178.313 176.300 -0.052 0.000 0.994 112 D CA 1.477 55.442 54.000 -0.058 0.000 0.830 112 D CB -0.233 40.539 40.800 -0.046 0.000 0.959 112 D HN 0.563 nan 8.370 nan 0.000 0.452 113 Q N -0.220 119.558 119.800 -0.036 0.000 2.181 113 Q HA -0.140 4.200 4.340 0.000 0.000 0.205 113 Q C 2.098 178.075 176.000 -0.038 0.000 0.980 113 Q CA 1.058 56.839 55.803 -0.036 0.000 0.862 113 Q CB 0.007 28.729 28.738 -0.027 0.000 0.905 113 Q HN 0.296 nan 8.270 nan 0.000 0.429 114 M N -0.821 118.761 119.600 -0.030 0.000 2.447 114 M HA -0.050 4.430 4.480 0.000 0.000 0.266 114 M C 1.772 178.041 176.300 -0.052 0.000 1.120 114 M CA 0.867 56.149 55.300 -0.030 0.000 1.166 114 M CB 0.147 32.746 32.600 -0.002 0.000 1.349 114 M HN 0.005 nan 8.290 nan 0.000 0.463 115 R N 0.365 120.825 120.500 -0.068 0.000 2.105 115 R HA -0.144 4.196 4.340 0.000 0.000 0.239 115 R C 2.471 178.711 176.300 -0.101 0.000 1.135 115 R CA 1.977 57.996 56.100 -0.134 0.000 0.967 115 R CB -0.410 29.727 30.300 -0.272 0.000 0.861 115 R HN 0.591 nan 8.270 nan 0.000 0.442 116 S N 0.519 116.178 115.700 -0.068 0.000 2.357 116 S HA -0.112 4.358 4.470 0.000 0.000 0.221 116 S C 1.962 176.573 174.600 0.018 0.000 1.031 116 S CA 0.529 58.713 58.200 -0.026 0.000 0.982 116 S CB -0.210 62.975 63.200 -0.026 0.000 0.853 116 S HN 0.245 nan 8.310 nan 0.000 0.458 117 R N 0.899 121.393 120.500 -0.011 0.000 2.103 117 R HA -0.022 4.318 4.340 0.000 0.000 0.242 117 R C 2.428 178.755 176.300 0.045 0.000 1.142 117 R CA 1.754 57.859 56.100 0.008 0.000 0.960 117 R CB -0.874 29.406 30.300 -0.033 0.000 0.858 117 R HN 0.458 nan 8.270 nan 0.000 0.439 118 L N -0.075 121.135 121.223 -0.022 0.000 2.046 118 L HA -0.180 4.160 4.340 0.000 0.000 0.208 118 L C 2.740 179.616 176.870 0.009 0.000 1.077 118 L CA 1.289 56.099 54.840 -0.051 0.000 0.747 118 L CB -0.650 41.329 42.059 -0.134 0.000 0.896 118 L HN 0.254 nan 8.230 nan 0.000 0.432 119 A N -0.572 122.261 122.820 0.022 0.000 1.865 119 A HA -0.311 4.009 4.320 0.000 0.000 0.217 119 A C 2.196 179.809 177.584 0.048 0.000 1.191 119 A CA 1.761 53.816 52.037 0.030 0.000 0.623 119 A CB -1.077 17.934 19.000 0.018 0.000 0.826 119 A HN 0.455 nan 8.150 nan 0.000 0.444 120 Y N 1.055 121.337 120.300 -0.030 0.000 2.165 120 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 120 Y C 1.671 177.561 175.900 -0.017 0.000 1.155 120 Y CA 2.170 60.257 58.100 -0.022 0.000 1.164 120 Y CB -0.055 38.390 38.460 -0.024 0.000 0.978 120 Y HN 0.364 nan 8.280 nan 0.000 0.513 121 D N -0.944 119.531 120.400 0.124 0.000 2.348 121 D HA 0.022 4.662 4.640 0.000 0.000 0.216 121 D C 1.795 178.088 176.300 -0.011 0.000 0.970 121 D CA 1.433 55.468 54.000 0.058 0.000 0.889 121 D CB -0.099 40.742 40.800 0.068 0.000 0.912 121 D HN 0.582 nan 8.370 nan 0.000 0.524 122 G N -0.019 108.767 108.800 -0.023 0.000 2.179 122 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 122 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 122 G C -0.021 174.883 174.900 0.007 0.000 0.990 122 G CA -0.357 44.728 45.100 -0.024 0.000 0.646 122 G HN 0.166 nan 8.290 nan 0.000 0.517 123 L N 1.684 122.920 121.223 0.020 0.000 2.349 123 L HA 0.420 4.760 4.340 0.000 0.000 0.275 123 L C 0.722 177.637 176.870 0.074 0.000 1.115 123 L CA -0.755 54.112 54.840 0.046 0.000 0.820 123 L CB 1.015 43.096 42.059 0.037 0.000 1.135 123 L HN 0.293 nan 8.230 nan 0.000 0.445 124 N N 1.569 120.321 118.700 0.088 0.000 2.442 124 N HA -0.109 4.631 4.740 0.000 0.000 0.265 124 N C 0.808 176.420 175.510 0.170 0.000 1.138 124 N CA 0.024 53.139 53.050 0.108 0.000 0.956 124 N CB 0.496 39.030 38.487 0.078 0.000 1.067 124 N HN 0.574 nan 8.380 nan 0.000 0.474 125 Y N 5.535 125.866 120.300 0.052 0.000 2.165 125 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 125 Y C 1.637 177.612 175.900 0.125 0.000 1.155 125 Y CA 1.838 59.986 58.100 0.080 0.000 1.164 125 Y CB -0.050 38.439 38.460 0.049 0.000 0.978 125 Y HN 0.615 nan 8.280 nan 0.000 0.513 126 N N -0.824 117.901 118.700 0.040 0.000 2.106 126 N HA -0.150 4.590 4.740 0.000 0.000 0.188 126 N C 1.782 177.256 175.510 -0.060 0.000 1.029 126 N CA 1.991 55.004 53.050 -0.062 0.000 0.848 126 N CB -0.879 37.620 38.487 0.019 0.000 1.007 126 N HN 0.349 nan 8.380 nan 0.000 0.423 127 T N 0.883 115.442 114.554 0.009 0.000 2.653 127 T HA -0.208 4.142 4.350 0.000 0.000 0.268 127 T C 1.741 176.446 174.700 0.008 0.000 1.035 127 T CA 1.303 63.412 62.100 0.015 0.000 1.154 127 T CB -0.531 68.368 68.868 0.051 0.000 0.862 127 T HN 0.291 nan 8.240 nan 0.000 0.441 128 Y N 2.074 122.314 120.300 -0.099 0.000 2.089 128 Y HA -0.139 4.411 4.550 0.000 0.000 0.282 128 Y C 2.589 178.385 175.900 -0.172 0.000 1.139 128 Y CA 1.321 59.355 58.100 -0.110 0.000 1.123 128 Y CB -0.295 38.112 38.460 -0.088 0.000 0.980 128 Y HN 0.006 nan 8.280 nan 0.000 0.493 129 R N 0.146 120.499 120.500 -0.244 0.000 2.113 129 R HA -0.274 4.066 4.340 0.000 0.000 0.244 129 R C 2.254 178.410 176.300 -0.240 0.000 1.142 129 R CA 1.632 57.548 56.100 -0.308 0.000 0.953 129 R CB -0.765 29.328 30.300 -0.345 0.000 0.860 129 R HN 0.456 nan 8.270 nan 0.000 0.438 130 N N 0.343 118.937 118.700 -0.176 0.000 2.205 130 N HA -0.191 4.549 4.740 0.000 0.000 0.186 130 N C 1.624 177.048 175.510 -0.144 0.000 1.015 130 N CA 1.273 54.248 53.050 -0.125 0.000 0.862 130 N CB 0.160 38.599 38.487 -0.080 0.000 0.986 130 N HN 0.305 nan 8.380 nan 0.000 0.429 131 Q N 0.450 120.127 119.800 -0.205 0.000 2.083 131 Q HA -0.009 4.331 4.340 0.000 0.000 0.198 131 Q C 2.147 178.001 176.000 -0.243 0.000 0.969 131 Q CA 0.518 56.194 55.803 -0.212 0.000 0.838 131 Q CB -0.173 28.411 28.738 -0.258 0.000 0.900 131 Q HN 0.436 nan 8.270 nan 0.000 0.436 132 I N 0.442 120.797 120.570 -0.358 0.000 2.361 132 I HA -0.223 3.947 4.170 0.000 0.000 0.251 132 I C 2.404 178.430 176.117 -0.153 0.000 1.133 132 I CA 0.994 62.128 61.300 -0.278 0.000 1.413 132 I CB -0.730 37.076 38.000 -0.323 0.000 1.073 132 I HN 0.207 nan 8.210 nan 0.000 0.424 133 R N 1.430 121.847 120.500 -0.139 0.000 2.062 133 R HA -0.152 4.188 4.340 0.000 0.000 0.231 133 R C 2.320 178.583 176.300 -0.063 0.000 1.136 133 R CA 1.399 57.449 56.100 -0.084 0.000 0.948 133 R CB -0.019 30.237 30.300 -0.074 0.000 0.845 133 R HN 0.196 nan 8.270 nan 0.000 0.430 134 K N 0.062 120.421 120.400 -0.068 0.000 2.074 134 K HA -0.179 4.141 4.320 0.000 0.000 0.209 134 K C 2.014 178.593 176.600 -0.034 0.000 1.048 134 K CA 1.514 57.774 56.287 -0.045 0.000 0.926 134 K CB -0.055 32.417 32.500 -0.048 0.000 0.713 134 K HN 0.176 nan 8.250 nan 0.000 0.444 135 E N 0.536 120.705 120.200 -0.052 0.000 2.110 135 E HA -0.146 4.204 4.350 0.000 0.000 0.193 135 E C 1.941 178.531 176.600 -0.016 0.000 0.988 135 E CA 1.253 57.632 56.400 -0.034 0.000 0.804 135 E CB -0.084 29.584 29.700 -0.053 0.000 0.745 135 E HN 0.369 nan 8.360 nan 0.000 0.458 136 M N -0.254 119.330 119.600 -0.026 0.000 2.156 136 M HA -0.071 4.409 4.480 0.000 0.000 0.264 136 M C 2.276 178.576 176.300 -0.000 0.000 1.067 136 M CA 1.075 56.367 55.300 -0.014 0.000 1.131 136 M CB -0.236 32.350 32.600 -0.023 0.000 1.368 136 M HN 0.057 nan 8.290 nan 0.000 0.416 137 I N -0.077 120.492 120.570 -0.001 0.000 2.252 137 I HA -0.268 3.902 4.170 0.000 0.000 0.245 137 I C 2.216 178.352 176.117 0.032 0.000 1.102 137 I CA 1.158 62.465 61.300 0.012 0.000 1.385 137 I CB -0.475 37.531 38.000 0.010 0.000 1.064 137 I HN 0.236 nan 8.210 nan 0.000 0.414 138 I N 0.246 120.837 120.570 0.035 0.000 2.179 138 I HA -0.316 3.854 4.170 0.000 0.000 0.242 138 I C 2.840 179.001 176.117 0.074 0.000 1.088 138 I CA 1.469 62.808 61.300 0.064 0.000 1.357 138 I CB -0.357 37.676 38.000 0.056 0.000 1.051 138 I HN 0.226 nan 8.210 nan 0.000 0.409 139 S N 0.267 115.998 115.700 0.052 0.000 2.359 139 S HA -0.287 4.183 4.470 0.000 0.000 0.224 139 S C 1.997 176.626 174.600 0.048 0.000 1.035 139 S CA 2.105 60.338 58.200 0.055 0.000 1.018 139 S CB -0.234 62.985 63.200 0.031 0.000 0.876 139 S HN 0.496 nan 8.310 nan 0.000 0.448 140 E N -0.019 120.198 120.200 0.030 0.000 2.017 140 E HA -0.122 4.228 4.350 0.000 0.000 0.193 140 E C 1.993 178.601 176.600 0.015 0.000 0.997 140 E CA 1.706 58.115 56.400 0.016 0.000 0.804 140 E CB -0.253 29.453 29.700 0.010 0.000 0.757 140 E HN 0.384 nan 8.360 nan 0.000 0.448 141 V N 1.431 121.365 119.914 0.033 0.000 2.282 141 V HA -0.312 3.808 4.120 0.000 0.000 0.249 141 V C 2.691 178.761 176.094 -0.040 0.000 1.057 141 V CA 2.362 64.683 62.300 0.035 0.000 1.032 141 V CB -0.769 31.119 31.823 0.109 0.000 0.645 141 V HN 0.334 nan 8.190 nan 0.000 0.447 142 R N 0.310 120.817 120.500 0.013 0.000 2.083 142 R HA -0.202 4.138 4.340 0.000 0.000 0.237 142 R C 2.203 178.417 176.300 -0.144 0.000 1.137 142 R CA 2.376 58.412 56.100 -0.107 0.000 0.951 142 R CB -0.430 29.947 30.300 0.128 0.000 0.851 142 R HN 0.721 nan 8.270 nan 0.000 0.434 143 N N 0.421 119.154 118.700 0.056 0.000 2.025 143 N HA -0.223 4.517 4.740 0.000 0.000 0.194 143 N C 1.743 177.274 175.510 0.035 0.000 1.044 143 N CA 1.255 54.402 53.050 0.162 0.000 0.851 143 N CB -0.399 38.122 38.487 0.056 0.000 1.036 143 N HN 0.311 nan 8.380 nan 0.000 0.422 144 N N 1.428 120.102 118.700 -0.043 0.000 2.061 144 N HA -0.211 4.529 4.740 0.000 0.000 0.193 144 N C 1.299 176.720 175.510 -0.148 0.000 1.030 144 N CA 1.450 54.459 53.050 -0.069 0.000 0.856 144 N CB -0.020 38.437 38.487 -0.051 0.000 1.023 144 N HN 0.238 nan 8.380 nan 0.000 0.424 145 E N 0.516 120.536 120.200 -0.301 0.000 2.047 145 E HA -0.073 4.277 4.350 0.000 0.000 0.191 145 E C 2.240 178.508 176.600 -0.554 0.000 0.987 145 E CA 0.599 56.709 56.400 -0.484 0.000 0.799 145 E CB -0.556 28.598 29.700 -0.910 0.000 0.752 145 E HN 0.245 nan 8.360 nan 0.000 0.449 146 V N 1.793 121.341 119.914 -0.609 0.000 2.490 146 V HA -0.242 3.878 4.120 0.000 0.000 0.250 146 V C 2.595 178.582 176.094 -0.179 0.000 1.061 146 V CA 1.861 63.880 62.300 -0.469 0.000 1.064 146 V CB -0.590 30.855 31.823 -0.630 0.000 0.670 146 V HN 0.212 nan 8.190 nan 0.000 0.461 147 R N 0.572 121.036 120.500 -0.060 0.000 2.070 147 R HA -0.139 4.201 4.340 0.000 0.000 0.232 147 R C 2.161 178.437 176.300 -0.040 0.000 1.138 147 R CA 1.360 57.462 56.100 0.003 0.000 0.936 147 R CB -0.232 30.073 30.300 0.009 0.000 0.839 147 R HN 0.274 nan 8.270 nan 0.000 0.429 148 R N 0.622 121.078 120.500 -0.073 0.000 2.387 148 R HA -0.050 4.290 4.340 0.000 0.000 0.203 148 R C 1.034 177.301 176.300 -0.055 0.000 1.121 148 R CA 0.693 56.760 56.100 -0.055 0.000 1.129 148 R CB -0.049 30.218 30.300 -0.056 0.000 0.905 148 R HN 0.393 nan 8.270 nan 0.000 0.477 149 R N -1.171 119.287 120.500 -0.070 0.000 2.702 149 R HA 0.139 4.479 4.340 0.000 0.000 0.223 149 R C 0.253 176.533 176.300 -0.032 0.000 0.953 149 R CA -0.508 55.561 56.100 -0.051 0.000 1.068 149 R CB 0.262 30.513 30.300 -0.081 0.000 1.600 149 R HN -0.014 nan 8.270 nan 0.000 0.602 150 I N 2.217 122.768 120.570 -0.032 0.000 2.815 150 I HA -0.058 4.112 4.170 0.000 0.000 0.291 150 I C -0.046 176.075 176.117 0.007 0.000 1.209 150 I CA 1.249 62.547 61.300 -0.003 0.000 1.431 150 I CB 1.032 39.052 38.000 0.034 0.000 1.351 150 I HN -0.077 nan 8.210 nan 0.000 0.585 151 T N 7.805 122.366 114.554 0.011 0.000 2.824 151 T HA 0.597 4.947 4.350 0.000 0.000 0.282 151 T C -0.508 174.203 174.700 0.017 0.000 0.993 151 T CA -0.678 61.430 62.100 0.012 0.000 0.967 151 T CB 0.306 69.180 68.868 0.010 0.000 0.960 151 T HN 0.401 nan 8.240 nan 0.000 0.441 152 I N 6.238 126.819 120.570 0.017 0.000 2.337 152 I HA 0.328 4.498 4.170 0.000 0.000 0.285 152 I C 0.277 176.404 176.117 0.017 0.000 1.041 152 I CA -0.764 60.548 61.300 0.021 0.000 1.199 152 I CB 1.070 39.083 38.000 0.023 0.000 1.370 152 I HN 0.468 nan 8.210 nan 0.000 0.470 153 L N 7.470 128.702 121.223 0.016 0.000 2.483 153 L HA 0.159 4.499 4.340 0.000 0.000 0.276 153 L C -1.982 174.896 176.870 0.013 0.000 1.213 153 L CA -1.512 53.336 54.840 0.012 0.000 0.843 153 L CB -0.189 41.876 42.059 0.010 0.000 1.107 153 L HN 0.240 nan 8.230 nan 0.000 0.487 154 P HA -0.058 nan 4.420 nan 0.000 0.262 154 P C -0.329 176.978 177.300 0.012 0.000 1.182 154 P CA 0.280 63.386 63.100 0.010 0.000 0.761 154 P CB 0.345 32.049 31.700 0.007 0.000 0.795 155 Q N 0.474 120.283 119.800 0.015 0.000 2.406 155 Q HA -0.283 4.057 4.340 0.000 0.000 0.236 155 Q C 1.095 177.109 176.000 0.022 0.000 0.799 155 Q CA 1.338 57.152 55.803 0.018 0.000 1.286 155 Q CB -1.972 26.773 28.738 0.013 0.000 1.615 155 Q HN 0.682 nan 8.270 nan 0.000 0.621 156 E N 0.060 120.275 120.200 0.024 0.000 2.028 156 E HA -0.098 4.252 4.350 0.000 0.000 0.191 156 E C 1.731 178.356 176.600 0.041 0.000 0.988 156 E CA 1.391 57.807 56.400 0.026 0.000 0.799 156 E CB 0.185 29.899 29.700 0.025 0.000 0.755 156 E HN 0.265 nan 8.360 nan 0.000 0.447 157 V N 1.360 121.311 119.914 0.062 0.000 2.295 157 V HA -0.258 3.862 4.120 0.000 0.000 0.246 157 V C 1.931 178.101 176.094 0.126 0.000 1.049 157 V CA 2.208 64.576 62.300 0.112 0.000 1.024 157 V CB -0.458 31.442 31.823 0.129 0.000 0.648 157 V HN 0.288 nan 8.190 nan 0.000 0.447 158 E N -0.394 119.859 120.200 0.088 0.000 2.204 158 E HA -0.185 4.165 4.350 0.000 0.000 0.195 158 E C 2.335 178.968 176.600 0.055 0.000 0.990 158 E CA 1.353 57.800 56.400 0.080 0.000 0.821 158 E CB -0.224 29.505 29.700 0.048 0.000 0.750 158 E HN 0.482 nan 8.360 nan 0.000 0.477 159 S N 0.508 116.230 115.700 0.037 0.000 2.362 159 S HA -0.032 4.438 4.470 0.000 0.000 0.221 159 S C 1.886 176.488 174.600 0.004 0.000 1.032 159 S CA 0.586 58.797 58.200 0.017 0.000 0.973 159 S CB -0.109 63.098 63.200 0.011 0.000 0.849 159 S HN 0.376 nan 8.310 nan 0.000 0.465 160 L N 1.062 122.284 121.223 -0.001 0.000 2.093 160 L HA 0.061 4.401 4.340 0.000 0.000 0.208 160 L C 2.394 179.217 176.870 -0.079 0.000 1.085 160 L CA 1.581 56.395 54.840 -0.042 0.000 0.755 160 L CB -0.726 41.301 42.059 -0.053 0.000 0.904 160 L HN 0.355 nan 8.230 nan 0.000 0.435 161 A N -0.190 122.610 122.820 -0.033 0.000 1.865 161 A HA -0.317 4.003 4.320 0.000 0.000 0.217 161 A C 2.275 179.854 177.584 -0.010 0.000 1.191 161 A CA 2.045 54.068 52.037 -0.023 0.000 0.623 161 A CB -0.849 18.285 19.000 0.223 0.000 0.826 161 A HN 0.664 nan 8.150 nan 0.000 0.444 162 Q N -0.180 119.628 119.800 0.013 0.000 2.226 162 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 162 Q C 1.337 177.329 176.000 -0.012 0.000 0.975 162 Q CA 1.388 57.195 55.803 0.007 0.000 0.866 162 Q CB -0.089 28.655 28.738 0.011 0.000 0.915 162 Q HN 0.921 nan 8.270 nan 0.000 0.440 173 E N 2.851 123.102 120.200 0.084 0.000 2.442 173 E HA 0.386 4.736 4.350 0.000 0.000 0.262 173 E C -0.844 175.913 176.600 0.261 0.000 1.004 173 E CA 0.011 56.500 56.400 0.148 0.000 0.928 173 E CB 0.608 30.378 29.700 0.117 0.000 0.937 173 E HN 0.514 nan 8.360 nan 0.000 0.446 174 L N 3.610 124.993 121.223 0.266 0.000 2.409 174 L HA 0.379 4.719 4.340 0.000 0.000 0.262 174 L C -1.102 175.754 176.870 -0.023 0.000 0.992 174 L CA -0.892 54.048 54.840 0.168 0.000 0.817 174 L CB 2.167 44.245 42.059 0.031 0.000 1.350 174 L HN 0.592 nan 8.230 nan 0.000 0.411 175 N N 3.044 121.441 118.700 -0.505 0.000 2.407 175 N HA 0.713 5.453 4.740 0.000 0.000 0.277 175 N C -1.813 173.383 175.510 -0.523 0.000 0.995 175 N CA -0.419 52.087 53.050 -0.907 0.000 0.903 175 N CB 1.059 38.234 38.487 -2.187 0.000 1.218 175 N HN 0.349 nan 8.380 nan 0.000 0.487 176 L N 0.489 121.507 121.223 -0.342 0.000 2.465 176 L HA 0.670 5.010 4.340 0.000 0.000 0.257 176 L C -0.355 176.442 176.870 -0.122 0.000 0.988 176 L CA -0.973 53.727 54.840 -0.233 0.000 0.827 176 L CB 1.197 43.140 42.059 -0.194 0.000 1.397 176 L HN 0.247 nan 8.230 nan 0.000 0.410 177 S N -0.706 114.964 115.700 -0.050 0.000 2.654 177 S HA 0.696 5.166 4.470 0.000 0.000 0.283 177 S C -1.147 173.665 174.600 0.353 0.000 1.180 177 S CA -0.264 58.034 58.200 0.162 0.000 1.021 177 S CB 0.718 64.100 63.200 0.304 0.000 1.018 177 S HN 0.858 nan 8.310 nan 0.000 0.532 178 H N 0.710 119.915 119.070 0.226 0.000 2.679 178 H HA 0.646 5.202 4.556 0.000 0.000 0.360 178 H C -1.380 174.028 175.328 0.133 0.000 1.105 178 H CA -0.588 55.570 56.048 0.184 0.000 1.196 178 H CB 0.575 30.366 29.762 0.049 0.000 1.636 178 H HN 0.490 nan 8.280 nan 0.000 0.531 179 I N 5.500 125.838 120.570 -0.387 0.000 2.466 179 I HA 0.232 4.402 4.170 0.000 0.000 0.289 179 I C -1.264 174.583 176.117 -0.451 0.000 1.026 179 I CA -1.073 59.988 61.300 -0.398 0.000 1.078 179 I CB 1.970 39.783 38.000 -0.310 0.000 1.249 179 I HN 0.397 nan 8.210 nan 0.000 0.429 180 L N 7.999 129.029 121.223 -0.322 0.000 2.333 180 L HA 0.571 4.911 4.340 0.000 0.000 0.280 180 L C -1.009 175.817 176.870 -0.072 0.000 1.004 180 L CA -0.281 54.452 54.840 -0.180 0.000 0.820 180 L CB 1.241 43.253 42.059 -0.079 0.000 1.247 180 L HN 0.317 nan 8.230 nan 0.000 0.416 181 I N 7.718 128.272 120.570 -0.028 0.000 2.306 181 I HA 0.346 4.516 4.170 0.000 0.000 0.288 181 I C -2.030 174.109 176.117 0.037 0.000 1.036 181 I CA -2.324 58.993 61.300 0.027 0.000 1.221 181 I CB 0.694 38.731 38.000 0.061 0.000 1.385 181 I HN 0.484 nan 8.210 nan 0.000 0.472 182 P HA 0.210 nan 4.420 nan 0.000 0.269 182 P C -0.841 176.481 177.300 0.036 0.000 1.217 182 P CA -0.301 62.807 63.100 0.013 0.000 0.783 182 P CB 1.752 33.459 31.700 0.012 0.000 0.898 183 L N 2.784 124.016 121.223 0.014 0.000 2.549 183 L HA 0.489 4.829 4.340 0.000 0.000 0.259 183 L C -2.752 174.119 176.870 0.001 0.000 0.934 183 L CA -2.165 52.688 54.840 0.022 0.000 0.865 183 L CB 2.017 44.092 42.059 0.025 0.000 1.352 183 L HN 0.208 nan 8.230 nan 0.000 0.410 184 P HA 0.188 nan 4.420 nan 0.000 0.272 184 P C -0.044 177.254 177.300 -0.005 0.000 1.254 184 P CA -0.087 63.012 63.100 -0.000 0.000 0.795 184 P CB 0.609 32.310 31.700 0.002 0.000 1.022 185 E N -0.392 119.806 120.200 -0.002 0.000 2.031 185 E HA -0.111 4.239 4.350 0.000 0.000 0.193 185 E C 0.197 176.794 176.600 -0.005 0.000 0.994 185 E CA 1.567 57.965 56.400 -0.002 0.000 0.800 185 E CB -0.493 29.210 29.700 0.005 0.000 0.752 185 E HN 0.376 nan 8.360 nan 0.000 0.447 186 N N 1.961 120.660 118.700 -0.001 0.000 2.800 186 N HA 0.212 4.952 4.740 0.000 0.000 0.240 186 N C -2.461 173.052 175.510 0.004 0.000 1.096 186 N CA -0.907 52.143 53.050 0.000 0.000 0.877 186 N CB 1.375 39.864 38.487 0.002 0.000 1.138 186 N HN 0.147 nan 8.380 nan 0.000 0.509 187 P HA 0.332 nan 4.420 nan 0.000 0.284 187 P C -0.215 177.096 177.300 0.018 0.000 1.292 187 P CA -0.143 62.967 63.100 0.015 0.000 0.800 187 P CB 1.153 32.867 31.700 0.023 0.000 1.188 188 T N -0.340 114.228 114.554 0.022 0.000 2.945 188 T HA 0.194 4.544 4.350 0.000 0.000 0.286 188 T C 1.569 176.286 174.700 0.028 0.000 1.025 188 T CA -0.257 61.855 62.100 0.020 0.000 1.039 188 T CB 0.910 69.787 68.868 0.015 0.000 1.068 188 T HN 0.250 nan 8.240 nan 0.000 0.497 189 S N 1.782 117.497 115.700 0.024 0.000 2.372 189 S HA -0.199 4.271 4.470 0.000 0.000 0.227 189 S C 1.648 176.263 174.600 0.026 0.000 1.044 189 S CA 1.808 60.024 58.200 0.028 0.000 1.050 189 S CB -0.414 62.798 63.200 0.019 0.000 0.901 189 S HN 0.728 nan 8.310 nan 0.000 0.447 190 D N 1.249 121.659 120.400 0.017 0.000 2.106 190 D HA -0.149 4.491 4.640 0.000 0.000 0.191 190 D C 2.261 178.572 176.300 0.017 0.000 0.997 190 D CA 1.341 55.348 54.000 0.012 0.000 0.834 190 D CB -0.492 40.313 40.800 0.008 0.000 0.956 190 D HN 0.506 nan 8.370 nan 0.000 0.448 191 Q N 0.026 119.842 119.800 0.026 0.000 2.061 191 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 191 Q C 2.403 178.442 176.000 0.066 0.000 0.984 191 Q CA 0.985 56.810 55.803 0.037 0.000 0.846 191 Q CB -0.151 28.609 28.738 0.037 0.000 0.902 191 Q HN 0.181 nan 8.270 nan 0.000 0.421 192 V N 1.937 121.903 119.914 0.087 0.000 2.343 192 V HA -0.258 3.862 4.120 0.000 0.000 0.247 192 V C 1.795 177.947 176.094 0.097 0.000 1.051 192 V CA 1.753 64.152 62.300 0.164 0.000 1.036 192 V CB -0.550 31.368 31.823 0.158 0.000 0.654 192 V HN 0.398 nan 8.190 nan 0.000 0.451 193 N N -0.032 118.687 118.700 0.032 0.000 2.106 193 N HA -0.175 4.565 4.740 0.000 0.000 0.188 193 N C 1.895 177.368 175.510 -0.063 0.000 1.029 193 N CA 1.513 54.547 53.050 -0.027 0.000 0.848 193 N CB -0.348 38.129 38.487 -0.017 0.000 1.007 193 N HN 0.649 nan 8.380 nan 0.000 0.423 194 E N 1.043 121.224 120.200 -0.032 0.000 2.049 194 E HA -0.202 4.148 4.350 0.000 0.000 0.198 194 E C 1.807 178.365 176.600 -0.070 0.000 1.007 194 E CA 1.424 57.800 56.400 -0.041 0.000 0.809 194 E CB -0.049 29.642 29.700 -0.014 0.000 0.749 194 E HN 0.299 nan 8.360 nan 0.000 0.450 195 A N 1.118 123.915 122.820 -0.039 0.000 1.865 195 A HA -0.264 4.056 4.320 0.000 0.000 0.217 195 A C 2.115 179.493 177.584 -0.344 0.000 1.191 195 A CA 1.839 53.846 52.037 -0.050 0.000 0.623 195 A CB -0.736 18.376 19.000 0.186 0.000 0.826 195 A HN 0.461 nan 8.150 nan 0.000 0.444 196 E N -0.555 119.299 120.200 -0.575 0.000 2.058 196 E HA -0.184 4.166 4.350 0.000 0.000 0.194 196 E C 2.321 178.656 176.600 -0.443 0.000 0.997 196 E CA 1.295 57.158 56.400 -0.895 0.000 0.801 196 E CB -0.165 29.141 29.700 -0.655 0.000 0.746 196 E HN 0.583 nan 8.360 nan 0.000 0.450 197 S N 0.309 115.853 115.700 -0.260 0.000 2.359 197 S HA -0.305 4.165 4.470 0.000 0.000 0.222 197 S C 2.053 176.553 174.600 -0.168 0.000 1.038 197 S CA 2.066 60.163 58.200 -0.171 0.000 1.051 197 S CB -0.357 62.774 63.200 -0.114 0.000 0.944 197 S HN 0.275 nan 8.310 nan 0.000 0.433 198 Q N 1.188 120.892 119.800 -0.160 0.000 2.077 198 Q HA -0.069 4.271 4.340 0.000 0.000 0.206 198 Q C 2.053 177.949 176.000 -0.174 0.000 0.989 198 Q CA 2.452 58.166 55.803 -0.149 0.000 0.853 198 Q CB -1.006 27.666 28.738 -0.111 0.000 0.907 198 Q HN 0.600 nan 8.270 nan 0.000 0.418 199 A N 0.452 123.152 122.820 -0.201 0.000 1.877 199 A HA -0.193 4.127 4.320 0.000 0.000 0.216 199 A C 2.089 179.594 177.584 -0.130 0.000 1.186 199 A CA 1.535 53.475 52.037 -0.161 0.000 0.620 199 A CB -0.527 18.354 19.000 -0.198 0.000 0.822 199 A HN 0.334 nan 8.150 nan 0.000 0.443 200 R N -0.287 120.117 120.500 -0.160 0.000 2.097 200 R HA -0.175 4.165 4.340 0.000 0.000 0.236 200 R C 2.482 178.734 176.300 -0.080 0.000 1.135 200 R CA 1.598 57.636 56.100 -0.102 0.000 0.934 200 R CB -1.410 28.824 30.300 -0.110 0.000 0.846 200 R HN 0.530 nan 8.270 nan 0.000 0.431 201 A N 1.344 124.104 122.820 -0.100 0.000 1.927 201 A HA -0.191 4.129 4.320 0.000 0.000 0.220 201 A C 2.377 179.903 177.584 -0.097 0.000 1.185 201 A CA 1.698 53.678 52.037 -0.094 0.000 0.639 201 A CB -0.659 18.274 19.000 -0.113 0.000 0.820 201 A HN 0.269 nan 8.150 nan 0.000 0.451 202 I N -0.755 119.738 120.570 -0.128 0.000 2.252 202 I HA -0.184 3.986 4.170 0.000 0.000 0.245 202 I C 2.248 178.351 176.117 -0.024 0.000 1.102 202 I CA 0.972 62.196 61.300 -0.128 0.000 1.385 202 I CB -0.224 37.664 38.000 -0.187 0.000 1.064 202 I HN 0.157 nan 8.210 nan 0.000 0.414 203 V N 0.793 120.708 119.914 0.003 0.000 2.594 203 V HA -0.298 3.822 4.120 0.000 0.000 0.253 203 V C 1.996 178.113 176.094 0.039 0.000 1.069 203 V CA 2.099 64.434 62.300 0.057 0.000 1.082 203 V CB -0.616 31.237 31.823 0.050 0.000 0.680 203 V HN 0.472 nan 8.190 nan 0.000 0.469 204 D N -0.042 120.361 120.400 0.005 0.000 2.077 204 D HA -0.200 4.440 4.640 0.000 0.000 0.197 204 D C 2.244 178.552 176.300 0.014 0.000 0.983 204 D CA 1.584 55.586 54.000 0.003 0.000 0.841 204 D CB -0.151 40.639 40.800 -0.016 0.000 0.992 204 D HN 0.467 nan 8.370 nan 0.000 0.450 205 Q N 0.012 119.815 119.800 0.004 0.000 2.217 205 Q HA -0.215 4.125 4.340 0.000 0.000 0.209 205 Q C 2.202 178.233 176.000 0.052 0.000 0.988 205 Q CA 1.542 57.354 55.803 0.016 0.000 0.878 205 Q CB -0.305 28.431 28.738 -0.004 0.000 0.909 205 Q HN 0.368 nan 8.270 nan 0.000 0.424 206 A N 1.273 124.145 122.820 0.087 0.000 1.902 206 A HA -0.200 4.120 4.320 0.000 0.000 0.217 206 A C 2.002 179.641 177.584 0.091 0.000 1.181 206 A CA 1.497 53.633 52.037 0.167 0.000 0.623 206 A CB -0.331 18.835 19.000 0.277 0.000 0.818 206 A HN 0.224 nan 8.150 nan 0.000 0.443 207 R N -0.752 119.781 120.500 0.056 0.000 2.153 207 R HA 0.007 4.347 4.340 0.000 0.000 0.218 207 R C 0.531 176.844 176.300 0.022 0.000 1.072 207 R CA 0.999 57.115 56.100 0.028 0.000 0.990 207 R CB -0.175 30.137 30.300 0.021 0.000 0.889 207 R HN 0.438 nan 8.270 nan 0.000 0.452 208 N N -0.234 118.481 118.700 0.025 0.000 2.413 208 N HA 0.075 4.815 4.740 0.000 0.000 0.207 208 N C 0.431 175.955 175.510 0.023 0.000 1.206 208 N CA 0.727 53.788 53.050 0.018 0.000 0.832 208 N CB 0.951 39.446 38.487 0.014 0.000 1.037 208 N HN 0.350 nan 8.380 nan 0.000 0.467 209 G N -0.901 107.917 108.800 0.029 0.000 2.179 209 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 209 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 209 G C 0.446 175.374 174.900 0.046 0.000 0.977 209 G CA 0.158 45.277 45.100 0.032 0.000 0.641 209 G HN 0.631 nan 8.290 nan 0.000 0.533 210 A N 0.227 123.079 122.820 0.054 0.000 2.547 210 A HA 0.393 4.713 4.320 0.000 0.000 0.233 210 A C 0.661 178.298 177.584 0.090 0.000 1.067 210 A CA 0.754 52.827 52.037 0.059 0.000 0.763 210 A CB 0.196 19.227 19.000 0.051 0.000 1.007 210 A HN 0.503 nan 8.150 nan 0.000 0.506 211 D N 1.327 121.772 120.400 0.075 0.000 2.349 211 D HA -0.001 4.639 4.640 0.000 0.000 0.266 211 D C 0.682 177.061 176.300 0.131 0.000 1.293 211 D CA 0.137 54.193 54.000 0.093 0.000 0.926 211 D CB -0.039 40.797 40.800 0.059 0.000 1.090 211 D HN 0.454 nan 8.370 nan 0.000 0.502 212 F N 3.498 123.451 119.950 0.006 0.000 2.134 212 F HA -0.030 4.497 4.527 0.000 0.000 0.299 212 F C 2.244 178.051 175.800 0.011 0.000 1.097 212 F CA 1.898 59.902 58.000 0.007 0.000 1.264 212 F CB -0.095 38.904 39.000 -0.003 0.000 1.001 212 F HN 0.492 nan 8.300 nan 0.000 0.479 213 G N -0.385 108.514 108.800 0.165 0.000 2.443 213 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 213 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 213 G C 1.733 176.626 174.900 -0.011 0.000 1.131 213 G CA 0.739 45.876 45.100 0.062 0.000 0.775 213 G HN 0.344 nan 8.290 nan 0.000 0.547 214 K N 0.035 120.436 120.400 0.002 0.000 2.025 214 K HA 0.091 4.411 4.320 0.000 0.000 0.207 214 K C 2.472 179.050 176.600 -0.037 0.000 1.049 214 K CA 0.584 56.865 56.287 -0.010 0.000 0.933 214 K CB -0.256 32.251 32.500 0.011 0.000 0.714 214 K HN 0.310 nan 8.250 nan 0.000 0.438 215 L N 0.689 121.876 121.223 -0.059 0.000 2.012 215 L HA -0.202 4.138 4.340 0.000 0.000 0.210 215 L C 2.687 179.510 176.870 -0.078 0.000 1.073 215 L CA 1.334 56.153 54.840 -0.034 0.000 0.748 215 L CB -0.694 41.267 42.059 -0.164 0.000 0.891 215 L HN 0.298 nan 8.230 nan 0.000 0.431 216 A N 0.691 123.368 122.820 -0.238 0.000 1.873 216 A HA -0.233 4.087 4.320 0.000 0.000 0.218 216 A C 2.180 179.700 177.584 -0.107 0.000 1.193 216 A CA 1.903 53.816 52.037 -0.206 0.000 0.629 216 A CB -0.815 18.068 19.000 -0.195 0.000 0.826 216 A HN 0.387 nan 8.150 nan 0.000 0.447 217 I N -0.465 120.054 120.570 -0.085 0.000 2.335 217 I HA -0.297 3.873 4.170 0.000 0.000 0.251 217 I C 2.761 178.810 176.117 -0.114 0.000 1.129 217 I CA 1.218 62.474 61.300 -0.073 0.000 1.402 217 I CB -0.335 37.634 38.000 -0.052 0.000 1.069 217 I HN 0.391 nan 8.210 nan 0.000 0.424 218 A N -0.347 122.373 122.820 -0.166 0.000 2.030 218 A HA -0.077 4.244 4.320 0.000 0.000 0.215 218 A C 1.650 178.829 177.584 -0.676 0.000 1.164 218 A CA 1.157 52.960 52.037 -0.390 0.000 0.697 218 A CB -0.438 18.297 19.000 -0.443 0.000 0.827 218 A HN 0.522 nan 8.150 nan 0.000 0.457 219 H N -2.197 116.830 119.070 -0.071 0.000 3.583 219 H HA 0.262 4.818 4.556 0.000 0.000 0.251 219 H C 0.848 176.130 175.328 -0.078 0.000 1.060 219 H CA 0.202 56.212 56.048 -0.063 0.000 1.159 219 H CB 0.055 29.768 29.762 -0.082 0.000 1.496 219 H HN 0.298 nan 8.280 nan 0.000 0.540 220 S N 0.519 116.210 115.700 -0.015 0.000 2.563 220 S HA 0.308 4.778 4.470 0.000 0.000 0.284 220 S C 1.298 175.878 174.600 -0.033 0.000 1.331 220 S CA 0.356 58.519 58.200 -0.062 0.000 1.047 220 S CB 0.661 63.797 63.200 -0.106 0.000 0.859 220 S HN 0.494 nan 8.310 nan 0.000 0.514 221 A N 2.894 125.698 122.820 -0.026 0.000 2.382 221 A HA 0.245 4.565 4.320 0.000 0.000 0.228 221 A C 0.433 178.027 177.584 0.016 0.000 1.217 221 A CA 0.001 52.034 52.037 -0.006 0.000 0.923 221 A CB -0.216 18.785 19.000 0.001 0.000 0.979 221 A HN 0.891 nan 8.150 nan 0.000 0.515 222 D N -0.805 119.616 120.400 0.036 0.000 2.369 222 D HA 0.006 4.646 4.640 0.000 0.000 0.241 222 D C 0.782 177.125 176.300 0.072 0.000 1.271 222 D CA -0.309 53.749 54.000 0.097 0.000 0.942 222 D CB 0.427 41.347 40.800 0.201 0.000 1.129 222 D HN 0.024 nan 8.370 nan 0.000 0.476 223 Q N -0.718 119.136 119.800 0.090 0.000 2.096 223 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 223 Q C 1.658 177.694 176.000 0.059 0.000 0.982 223 Q CA 1.370 57.216 55.803 0.071 0.000 0.850 223 Q CB -0.184 28.607 28.738 0.088 0.000 0.901 223 Q HN 0.563 nan 8.270 nan 0.000 0.422 224 Q N -0.449 119.397 119.800 0.076 0.000 2.482 224 Q HA 0.093 4.433 4.340 0.000 0.000 0.209 224 Q C 1.721 177.746 176.000 0.041 0.000 0.961 224 Q CA 0.605 56.446 55.803 0.064 0.000 0.945 224 Q CB -0.256 28.533 28.738 0.085 0.000 1.012 224 Q HN 0.307 nan 8.270 nan 0.000 0.515 225 A N 1.263 124.098 122.820 0.025 0.000 1.859 225 A HA -0.200 4.120 4.320 0.000 0.000 0.217 225 A C 2.067 179.643 177.584 -0.013 0.000 1.198 225 A CA 1.341 53.373 52.037 -0.009 0.000 0.629 225 A CB -0.831 18.154 19.000 -0.023 0.000 0.830 225 A HN 0.402 nan 8.150 nan 0.000 0.446 226 L N -0.706 120.511 121.223 -0.010 0.000 2.261 226 L HA -0.158 4.182 4.340 0.000 0.000 0.216 226 L C 1.412 178.283 176.870 0.001 0.000 1.114 226 L CA 1.366 56.200 54.840 -0.011 0.000 0.777 226 L CB -0.633 41.420 42.059 -0.009 0.000 0.910 226 L HN 0.501 nan 8.230 nan 0.000 0.440 227 N N 0.211 118.918 118.700 0.012 0.000 2.714 227 N HA 0.160 4.900 4.740 0.000 0.000 0.298 227 N C 1.018 176.543 175.510 0.025 0.000 1.298 227 N CA 0.613 53.675 53.050 0.021 0.000 1.007 227 N CB 0.139 38.643 38.487 0.029 0.000 1.318 227 N HN 0.226 nan 8.380 nan 0.000 0.516 228 G N -0.182 108.627 108.800 0.016 0.000 2.196 228 G HA2 -0.305 3.655 3.960 0.000 0.000 0.268 228 G HA3 -0.305 3.655 3.960 0.000 0.000 0.268 228 G C 0.868 175.791 174.900 0.038 0.000 0.975 228 G CA 0.249 45.364 45.100 0.024 0.000 0.648 228 G HN 1.341 nan 8.290 nan 0.000 0.538 229 G N -1.128 107.695 108.800 0.038 0.000 2.160 229 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 229 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 229 G C 0.095 175.061 174.900 0.110 0.000 1.022 229 G CA 0.919 46.060 45.100 0.068 0.000 0.741 229 G HN 1.166 nan 8.290 nan 0.000 0.508 230 Q N -0.915 118.928 119.800 0.072 0.000 2.296 230 Q HA 0.605 4.945 4.340 0.000 0.000 0.262 230 Q C 1.531 177.548 176.000 0.029 0.000 0.981 230 Q CA -0.019 55.810 55.803 0.043 0.000 0.905 230 Q CB 0.783 29.533 28.738 0.021 0.000 1.186 230 Q HN 0.541 nan 8.270 nan 0.000 0.399 231 M N 0.966 120.563 119.600 -0.004 0.000 2.567 231 M HA 0.200 4.680 4.480 0.000 0.000 0.261 231 M C 0.891 177.169 176.300 -0.037 0.000 1.180 231 M CA 0.601 55.888 55.300 -0.021 0.000 1.143 231 M CB 0.543 33.107 32.600 -0.060 0.000 1.319 231 M HN 0.938 nan 8.290 nan 0.000 0.490 232 G N 0.493 109.237 108.800 -0.093 0.000 2.508 232 G HA2 -0.209 3.751 3.960 0.000 0.000 0.220 232 G HA3 -0.209 3.751 3.960 0.000 0.000 0.220 232 G C -1.535 173.251 174.900 -0.190 0.000 1.287 232 G CA -0.788 44.244 45.100 -0.113 0.000 0.916 232 G HN 0.373 nan 8.290 nan 0.000 0.574 233 W N 0.593 121.887 121.300 -0.010 0.000 2.381 233 W HA 0.642 5.302 4.660 0.000 0.000 0.329 233 W C 0.723 177.230 176.519 -0.021 0.000 1.157 233 W CA 0.721 58.056 57.345 -0.016 0.000 1.240 233 W CB 1.887 31.340 29.460 -0.012 0.000 1.199 233 W HN 1.309 nan 8.180 nan 0.000 0.579 234 G N 1.073 110.006 108.800 0.221 0.000 2.601 234 G HA2 0.441 4.401 3.960 0.000 0.000 0.291 234 G HA3 0.441 4.401 3.960 0.000 0.000 0.291 234 G C -1.544 173.409 174.900 0.088 0.000 1.456 234 G CA -1.412 43.755 45.100 0.113 0.000 0.804 234 G HN 0.354 nan 8.290 nan 0.000 0.499 235 R N 0.833 121.365 120.500 0.053 0.000 2.442 235 R HA 0.206 4.546 4.340 0.000 0.000 0.291 235 R C 1.181 177.496 176.300 0.024 0.000 1.069 235 R CA -0.533 55.589 56.100 0.037 0.000 1.022 235 R CB 1.659 31.971 30.300 0.020 0.000 0.976 235 R HN 0.525 nan 8.270 nan 0.000 0.443 236 I N 2.679 123.265 120.570 0.026 0.000 2.502 236 I HA -0.347 3.823 4.170 0.000 0.000 0.258 236 I C 1.611 177.737 176.117 0.015 0.000 1.172 236 I CA 1.688 62.999 61.300 0.018 0.000 1.430 236 I CB 0.170 38.184 38.000 0.023 0.000 1.086 236 I HN 0.649 nan 8.210 nan 0.000 0.440 237 Q N -0.116 119.690 119.800 0.010 0.000 2.245 237 Q HA -0.153 4.187 4.340 0.000 0.000 0.201 237 Q C 1.439 177.439 176.000 -0.001 0.000 0.955 237 Q CA 0.886 56.690 55.803 0.001 0.000 0.870 237 Q CB 0.027 28.760 28.738 -0.008 0.000 0.945 237 Q HN 0.551 nan 8.270 nan 0.000 0.461 238 E N 0.272 120.473 120.200 0.001 0.000 2.494 238 E HA 0.054 4.404 4.350 0.000 0.000 0.193 238 E C -0.243 176.358 176.600 0.001 0.000 1.074 238 E CA -0.016 56.383 56.400 -0.001 0.000 0.867 238 E CB 0.274 29.974 29.700 0.000 0.000 0.924 238 E HN 0.279 nan 8.360 nan 0.000 0.502 239 L N 1.101 122.329 121.223 0.007 0.000 2.344 239 L HA 0.388 4.728 4.340 0.000 0.000 0.272 239 L C -2.188 174.728 176.870 0.076 0.000 1.035 239 L CA -2.457 52.394 54.840 0.018 0.000 0.807 239 L CB 0.501 42.561 42.059 0.001 0.000 1.237 239 L HN -0.281 nan 8.230 nan 0.000 0.442 240 P HA -0.042 nan 4.420 nan 0.000 0.267 240 P C 0.666 178.028 177.300 0.103 0.000 1.201 240 P CA 0.230 63.406 63.100 0.126 0.000 0.775 240 P CB 0.645 32.453 31.700 0.180 0.000 0.854 241 G N 1.417 110.224 108.800 0.013 0.000 2.443 241 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 241 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 241 G C 1.328 176.185 174.900 -0.072 0.000 1.131 241 G CA 0.185 45.278 45.100 -0.013 0.000 0.775 241 G HN 0.444 nan 8.290 nan 0.000 0.547 242 I N -0.136 120.319 120.570 -0.192 0.000 2.623 242 I HA -0.049 4.121 4.170 0.000 0.000 0.261 242 I C 1.693 177.504 176.117 -0.509 0.000 1.204 242 I CA 0.958 62.028 61.300 -0.382 0.000 1.444 242 I CB -0.106 37.568 38.000 -0.542 0.000 1.094 242 I HN 0.237 nan 8.210 nan 0.000 0.451 243 F N -1.504 118.421 119.950 -0.042 0.000 2.592 243 F HA 0.273 4.800 4.527 0.000 0.000 0.280 243 F C 2.358 178.144 175.800 -0.024 0.000 1.083 243 F CA 0.541 58.521 58.000 -0.034 0.000 1.365 243 F CB -0.997 37.964 39.000 -0.065 0.000 1.100 243 F HN -0.104 nan 8.300 nan 0.000 0.633 244 A N 0.568 123.482 122.820 0.156 0.000 1.954 244 A HA -0.382 3.938 4.320 0.000 0.000 0.222 244 A C 2.064 179.681 177.584 0.056 0.000 1.199 244 A CA 2.573 54.659 52.037 0.082 0.000 0.657 244 A CB -0.990 18.037 19.000 0.045 0.000 0.823 244 A HN 0.442 nan 8.150 nan 0.000 0.463 245 Q N -0.065 119.758 119.800 0.038 0.000 1.975 245 Q HA -0.087 4.253 4.340 0.000 0.000 0.205 245 Q C 2.060 178.083 176.000 0.038 0.000 0.990 245 Q CA 2.939 58.756 55.803 0.024 0.000 0.845 245 Q CB -0.867 27.872 28.738 0.003 0.000 0.913 245 Q HN 0.574 nan 8.270 nan 0.000 0.420 246 A N -0.059 122.795 122.820 0.057 0.000 2.015 246 A HA 0.001 4.321 4.320 0.000 0.000 0.219 246 A C 1.935 179.555 177.584 0.061 0.000 1.163 246 A CA 1.158 53.233 52.037 0.064 0.000 0.646 246 A CB -0.519 18.536 19.000 0.091 0.000 0.806 246 A HN 0.470 nan 8.150 nan 0.000 0.448 247 L N 0.591 121.856 121.223 0.070 0.000 2.612 247 L HA -0.013 4.327 4.340 0.000 0.000 0.230 247 L C 2.360 179.249 176.870 0.031 0.000 1.140 247 L CA 0.721 55.589 54.840 0.046 0.000 0.896 247 L CB -0.186 41.900 42.059 0.045 0.000 1.065 247 L HN 0.572 nan 8.230 nan 0.000 0.447 248 S N -2.279 113.440 115.700 0.031 0.000 2.406 248 S HA -0.081 4.389 4.470 0.000 0.000 0.224 248 S C 1.758 176.369 174.600 0.018 0.000 1.030 248 S CA 0.903 59.116 58.200 0.022 0.000 0.958 248 S CB -0.181 63.030 63.200 0.020 0.000 0.811 248 S HN 0.256 nan 8.310 nan 0.000 0.489 249 T N 2.279 116.844 114.554 0.019 0.000 3.057 249 T HA 0.476 4.826 4.350 0.000 0.000 0.254 249 T C 0.804 175.511 174.700 0.012 0.000 1.094 249 T CA 0.441 62.549 62.100 0.015 0.000 1.088 249 T CB -0.327 68.550 68.868 0.015 0.000 0.934 249 T HN 0.634 nan 8.240 nan 0.000 0.497 250 A N 2.666 125.494 122.820 0.013 0.000 2.563 250 A HA 0.118 4.438 4.320 0.000 0.000 0.256 250 A C 0.357 177.941 177.584 -0.001 0.000 1.056 250 A CA 0.566 52.605 52.037 0.004 0.000 0.775 250 A CB -0.106 18.894 19.000 0.001 0.000 0.973 250 A HN 0.389 nan 8.150 nan 0.000 0.516 251 K N 2.053 122.449 120.400 -0.006 0.000 2.118 251 K HA 0.280 4.600 4.320 0.000 0.000 0.254 251 K C 0.124 176.713 176.600 -0.019 0.000 0.961 251 K CA -0.814 55.469 56.287 -0.006 0.000 0.876 251 K CB 1.581 34.079 32.500 -0.004 0.000 1.077 251 K HN 0.737 nan 8.250 nan 0.000 0.440 252 K N 0.512 120.904 120.400 -0.014 0.000 2.484 252 K HA -0.069 4.251 4.320 0.000 0.000 0.280 252 K C 0.626 177.201 176.600 -0.041 0.000 1.013 252 K CA 1.318 57.588 56.287 -0.027 0.000 1.029 252 K CB -0.033 32.464 32.500 -0.005 0.000 0.902 252 K HN 0.816 nan 8.250 nan 0.000 0.481 253 G N 3.013 111.770 108.800 -0.072 0.000 2.175 253 G HA2 -0.201 3.759 3.960 0.000 0.000 0.244 253 G HA3 -0.201 3.759 3.960 0.000 0.000 0.244 253 G C -0.225 174.619 174.900 -0.093 0.000 0.982 253 G CA 0.102 45.154 45.100 -0.080 0.000 0.641 253 G HN 0.724 nan 8.290 nan 0.000 0.527 254 D N 0.055 120.404 120.400 -0.086 0.000 2.339 254 D HA 0.489 5.129 4.640 0.000 0.000 0.245 254 D C 0.100 176.330 176.300 -0.117 0.000 1.115 254 D CA 0.213 54.168 54.000 -0.075 0.000 0.917 254 D CB 1.250 42.023 40.800 -0.044 0.000 1.192 254 D HN 0.079 nan 8.370 nan 0.000 0.428 255 I N 1.650 122.173 120.570 -0.079 0.000 2.355 255 I HA 0.058 4.228 4.170 0.000 0.000 0.288 255 I C -0.220 175.898 176.117 0.001 0.000 0.999 255 I CA -0.582 60.673 61.300 -0.075 0.000 1.163 255 I CB 1.717 39.703 38.000 -0.023 0.000 1.316 255 I HN 0.004 nan 8.210 nan 0.000 0.454 256 V N 7.093 127.024 119.914 0.029 0.000 2.389 256 V HA 0.367 4.487 4.120 0.000 0.000 0.264 256 V C 1.201 177.377 176.094 0.138 0.000 1.049 256 V CA -0.625 61.727 62.300 0.087 0.000 0.932 256 V CB 0.394 32.288 31.823 0.118 0.000 1.011 256 V HN 0.930 nan 8.190 nan 0.000 0.475 257 G N 7.647 116.514 108.800 0.112 0.000 2.669 257 G HA2 -0.018 3.942 3.960 0.000 0.000 0.227 257 G HA3 -0.018 3.942 3.960 0.000 0.000 0.227 257 G C -1.935 173.071 174.900 0.176 0.000 1.210 257 G CA -0.558 44.614 45.100 0.119 0.000 0.855 257 G HN 0.649 nan 8.290 nan 0.000 0.551 258 P HA 0.048 nan 4.420 nan 0.000 0.258 258 P C -0.128 177.373 177.300 0.335 0.000 1.214 258 P CA -0.008 63.246 63.100 0.256 0.000 0.872 258 P CB 0.303 32.092 31.700 0.148 0.000 0.890 259 I N 3.917 124.693 120.570 0.344 0.000 2.371 259 I HA 0.241 4.411 4.170 0.000 0.000 0.290 259 I C 1.191 177.406 176.117 0.162 0.000 1.028 259 I CA -0.694 60.733 61.300 0.212 0.000 1.345 259 I CB 0.434 38.492 38.000 0.096 0.000 1.407 259 I HN 0.290 nan 8.210 nan 0.000 0.501 260 R N 5.311 125.789 120.500 -0.038 0.000 2.357 260 R HA 0.515 4.855 4.340 0.000 0.000 0.296 260 R C -0.181 175.980 176.300 -0.232 0.000 1.052 260 R CA -0.058 55.794 56.100 -0.414 0.000 0.988 260 R CB 0.922 30.940 30.300 -0.470 0.000 1.025 260 R HN 0.859 nan 8.270 nan 0.000 0.469 261 S N 1.550 117.114 115.700 -0.226 0.000 2.851 261 S HA 0.504 4.974 4.470 0.000 0.000 0.313 261 S C 0.841 175.377 174.600 -0.107 0.000 1.163 261 S CA -0.446 57.714 58.200 -0.067 0.000 0.850 261 S CB 1.033 64.359 63.200 0.210 0.000 1.245 261 S HN 0.582 nan 8.310 nan 0.000 0.558 262 G N -0.129 108.653 108.800 -0.031 0.000 2.484 262 G HA2 0.074 4.034 3.960 0.000 0.000 0.218 262 G HA3 0.074 4.034 3.960 0.000 0.000 0.218 262 G C 0.906 175.787 174.900 -0.032 0.000 1.130 262 G CA 0.890 45.968 45.100 -0.036 0.000 0.784 262 G HN 0.659 nan 8.290 nan 0.000 0.543 263 V N -0.355 119.554 119.914 -0.008 0.000 3.471 263 V HA 0.492 4.612 4.120 0.000 0.000 0.258 263 V C 1.370 177.411 176.094 -0.087 0.000 1.192 263 V CA 0.889 63.182 62.300 -0.012 0.000 1.116 263 V CB -0.380 31.479 31.823 0.059 0.000 0.792 263 V HN 0.705 nan 8.190 nan 0.000 0.459 264 G N -0.392 108.289 108.800 -0.197 0.000 2.291 264 G HA2 0.130 4.090 3.960 0.000 0.000 0.249 264 G HA3 0.130 4.090 3.960 0.000 0.000 0.249 264 G C -1.497 173.125 174.900 -0.463 0.000 1.340 264 G CA -0.866 44.084 45.100 -0.250 0.000 1.017 264 G HN -0.048 nan 8.290 nan 0.000 0.470 265 F N 2.030 121.871 119.950 -0.181 0.000 2.420 265 F HA 0.585 5.112 4.527 0.000 0.000 0.342 265 F C 0.786 176.489 175.800 -0.162 0.000 1.113 265 F CA -0.478 57.449 58.000 -0.121 0.000 1.059 265 F CB 1.520 40.499 39.000 -0.034 0.000 1.128 265 F HN 0.260 nan 8.300 nan 0.000 0.475 266 H N 4.293 123.571 119.070 0.346 0.000 2.479 266 H HA 0.610 5.166 4.556 0.000 0.000 0.335 266 H C -0.496 175.056 175.328 0.372 0.000 1.142 266 H CA -0.488 55.813 56.048 0.421 0.000 1.234 266 H CB 2.167 32.395 29.762 0.776 0.000 1.503 266 H HN 0.470 nan 8.280 nan 0.000 0.510 267 I N 3.732 124.547 120.570 0.409 0.000 2.534 267 I HA 0.222 4.392 4.170 0.000 0.000 0.288 267 I C -0.713 175.657 176.117 0.422 0.000 1.077 267 I CA -0.345 61.170 61.300 0.358 0.000 1.051 267 I CB 2.029 40.193 38.000 0.274 0.000 1.234 267 I HN 0.172 nan 8.210 nan 0.000 0.425 268 L N 5.718 127.125 121.223 0.306 0.000 2.341 268 L HA 0.625 4.965 4.340 0.000 0.000 0.267 268 L C -0.355 176.450 176.870 -0.108 0.000 1.009 268 L CA -0.827 54.110 54.840 0.161 0.000 0.819 268 L CB 2.159 44.229 42.059 0.019 0.000 1.323 268 L HN 0.440 nan 8.230 nan 0.000 0.425 269 K N 1.550 121.708 120.400 -0.402 0.000 2.463 269 K HA 0.396 4.716 4.320 0.000 0.000 0.255 269 K C -1.334 175.039 176.600 -0.378 0.000 0.942 269 K CA -0.592 55.289 56.287 -0.675 0.000 0.814 269 K CB 2.117 33.686 32.500 -1.552 0.000 1.122 269 K HN 0.334 nan 8.250 nan 0.000 0.425 270 V N 5.646 125.402 119.914 -0.263 0.000 2.364 270 V HA 0.008 4.128 4.120 0.000 0.000 0.252 270 V C 1.223 177.191 176.094 -0.211 0.000 1.075 270 V CA 0.158 62.340 62.300 -0.197 0.000 1.033 270 V CB -0.075 31.673 31.823 -0.124 0.000 1.116 270 V HN 0.802 nan 8.190 nan 0.000 0.488 271 N N 2.745 121.294 118.700 -0.252 0.000 2.083 271 N HA -0.039 4.701 4.740 0.000 0.000 0.190 271 N C 0.491 175.880 175.510 -0.202 0.000 1.047 271 N CA 0.893 53.803 53.050 -0.234 0.000 0.845 271 N CB 0.217 38.541 38.487 -0.270 0.000 1.025 271 N HN 0.620 nan 8.380 nan 0.000 0.428 272 D N -0.891 119.324 120.400 -0.309 0.000 2.552 272 D HA 0.474 5.114 4.640 0.000 0.000 0.239 272 D C -1.490 174.767 176.300 -0.071 0.000 1.139 272 D CA -0.484 53.423 54.000 -0.156 0.000 0.914 272 D CB 2.289 43.039 40.800 -0.082 0.000 1.461 272 D HN -0.137 nan 8.370 nan 0.000 0.462 284 E N 1.184 121.490 120.200 0.176 0.000 2.504 284 E HA 0.806 5.156 4.350 0.000 0.000 0.253 284 E C -0.527 176.264 176.600 0.318 0.000 1.151 284 E CA -1.021 55.530 56.400 0.252 0.000 0.972 284 E CB 1.841 31.756 29.700 0.359 0.000 1.247 284 E HN 0.656 nan 8.360 nan 0.000 0.519 285 V N -1.012 119.063 119.914 0.267 0.000 2.969 285 V HA 0.406 4.526 4.120 0.000 0.000 0.304 285 V C -1.459 174.501 176.094 -0.223 0.000 1.192 285 V CA -0.975 61.356 62.300 0.053 0.000 0.962 285 V CB 1.575 33.448 31.823 0.084 0.000 1.045 285 V HN 0.701 nan 8.190 nan 0.000 0.428 286 H N 2.745 121.339 119.070 -0.794 0.000 2.504 286 H HA 0.917 5.473 4.556 0.000 0.000 0.322 286 H C -0.102 174.963 175.328 -0.438 0.000 1.055 286 H CA 0.772 56.257 56.048 -0.939 0.000 1.231 286 H CB 1.430 30.239 29.762 -1.589 0.000 1.417 286 H HN 1.411 nan 8.280 nan 0.000 0.472 287 A N 4.758 127.237 122.820 -0.568 0.000 2.593 287 A HA 0.815 5.135 4.320 0.000 0.000 0.290 287 A C -1.184 176.172 177.584 -0.380 0.000 1.126 287 A CA -1.021 50.782 52.037 -0.389 0.000 0.695 287 A CB 1.632 20.523 19.000 -0.182 0.000 1.290 287 A HN 0.829 nan 8.150 nan 0.000 0.414 288 R N 0.601 120.953 120.500 -0.247 0.000 2.698 288 R HA 0.757 5.097 4.340 0.000 0.000 0.275 288 R C -1.461 174.953 176.300 0.189 0.000 1.001 288 R CA -0.739 55.323 56.100 -0.064 0.000 0.896 288 R CB 1.732 31.929 30.300 -0.172 0.000 1.218 288 R HN 1.063 nan 8.270 nan 0.000 0.462 289 H N 2.343 121.517 119.070 0.173 0.000 2.930 289 H HA 0.437 4.993 4.556 0.000 0.000 0.371 289 H C -1.386 174.045 175.328 0.171 0.000 1.169 289 H CA -1.162 55.014 56.048 0.214 0.000 1.157 289 H CB 2.105 31.870 29.762 0.005 0.000 1.789 289 H HN 0.588 nan 8.280 nan 0.000 0.547 290 I N 4.323 124.785 120.570 -0.181 0.000 2.339 290 I HA 0.318 4.488 4.170 0.000 0.000 0.290 290 I C -1.375 174.628 176.117 -0.190 0.000 0.994 290 I CA -0.696 60.416 61.300 -0.314 0.000 1.191 290 I CB 0.869 38.644 38.000 -0.376 0.000 1.343 290 I HN 0.537 nan 8.210 nan 0.000 0.458 291 L N 8.704 129.802 121.223 -0.209 0.000 2.331 291 L HA 0.639 4.979 4.340 0.000 0.000 0.275 291 L C -1.580 175.348 176.870 0.096 0.000 1.022 291 L CA -0.487 54.412 54.840 0.098 0.000 0.812 291 L CB 1.677 43.887 42.059 0.251 0.000 1.257 291 L HN 0.556 nan 8.230 nan 0.000 0.435 292 L N 4.547 125.849 121.223 0.132 0.000 2.409 292 L HA 0.521 4.861 4.340 0.000 0.000 0.272 292 L C -0.572 176.365 176.870 0.111 0.000 0.980 292 L CA -0.710 54.182 54.840 0.087 0.000 0.826 292 L CB 1.772 43.850 42.059 0.030 0.000 1.268 292 L HN 0.520 nan 8.230 nan 0.000 0.407 293 K N 4.112 124.572 120.400 0.100 0.000 2.307 293 K HA 0.508 4.828 4.320 0.000 0.000 0.263 293 K C -2.616 174.030 176.600 0.076 0.000 0.973 293 K CA -1.802 54.548 56.287 0.105 0.000 0.846 293 K CB 2.253 34.828 32.500 0.125 0.000 1.100 293 K HN 0.154 nan 8.250 nan 0.000 0.438 294 P HA 0.180 nan 4.420 nan 0.000 0.275 294 P C -1.158 176.173 177.300 0.051 0.000 1.228 294 P CA -0.055 63.081 63.100 0.060 0.000 0.786 294 P CB 0.901 32.657 31.700 0.093 0.000 0.927 295 S N 0.816 116.536 115.700 0.034 0.000 2.680 295 S HA 0.371 4.841 4.470 0.000 0.000 0.284 295 S C -2.704 171.906 174.600 0.018 0.000 1.055 295 S CA -1.074 57.144 58.200 0.029 0.000 0.849 295 S CB 0.644 63.864 63.200 0.033 0.000 1.068 295 S HN 0.167 nan 8.310 nan 0.000 0.453 296 P HA -0.319 nan 4.420 nan 0.000 0.233 296 P C 1.233 178.535 177.300 0.002 0.000 0.738 296 P CA 2.692 65.797 63.100 0.009 0.000 1.103 296 P CB -0.391 31.315 31.700 0.010 0.000 0.675 297 I N -2.188 118.382 120.570 -0.000 0.000 2.141 297 I HA -0.103 4.067 4.170 0.000 0.000 0.236 297 I C 1.616 177.721 176.117 -0.020 0.000 1.071 297 I CA 0.890 62.185 61.300 -0.009 0.000 1.345 297 I CB -0.508 37.487 38.000 -0.009 0.000 1.066 297 I HN 0.020 nan 8.210 nan 0.000 0.406 298 M N 1.941 121.528 119.600 -0.022 0.000 2.105 298 M HA 0.316 4.796 4.480 0.000 0.000 0.350 298 M C 0.147 176.427 176.300 -0.034 0.000 1.308 298 M CA -0.436 54.839 55.300 -0.042 0.000 1.108 298 M CB 0.658 33.226 32.600 -0.053 0.000 1.622 298 M HN 0.074 nan 8.290 nan 0.000 0.468 299 T N -1.037 113.488 114.554 -0.048 0.000 2.824 299 T HA 0.241 4.591 4.350 0.000 0.000 0.277 299 T C 0.682 175.344 174.700 -0.064 0.000 0.975 299 T CA -0.576 61.506 62.100 -0.029 0.000 0.966 299 T CB 0.746 69.598 68.868 -0.028 0.000 1.054 299 T HN 0.683 nan 8.240 nan 0.000 0.533 300 D N 0.130 120.529 120.400 -0.001 0.000 2.228 300 D HA -0.111 4.529 4.640 0.000 0.000 0.203 300 D C 1.815 177.887 176.300 -0.381 0.000 0.988 300 D CA 1.087 55.075 54.000 -0.020 0.000 0.864 300 D CB 0.108 41.096 40.800 0.315 0.000 0.928 300 D HN 0.540 nan 8.370 nan 0.000 0.469 301 E N 0.286 120.338 120.200 -0.246 0.000 2.140 301 E HA -0.033 4.317 4.350 0.000 0.000 0.191 301 E C 2.204 178.630 176.600 -0.290 0.000 0.973 301 E CA 0.182 56.401 56.400 -0.301 0.000 0.829 301 E CB -0.024 29.574 29.700 -0.170 0.000 0.781 301 E HN 0.315 nan 8.360 nan 0.000 0.466 302 Q N 0.608 120.284 119.800 -0.207 0.000 2.045 302 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 302 Q C 2.126 177.986 176.000 -0.233 0.000 0.991 302 Q CA 1.748 57.445 55.803 -0.176 0.000 0.851 302 Q CB -0.418 28.248 28.738 -0.120 0.000 0.911 302 Q HN 0.212 nan 8.270 nan 0.000 0.418 303 A N 1.065 123.718 122.820 -0.279 0.000 1.858 303 A HA -0.199 4.121 4.320 0.000 0.000 0.216 303 A C 2.171 179.503 177.584 -0.420 0.000 1.190 303 A CA 1.599 53.454 52.037 -0.305 0.000 0.617 303 A CB -0.630 18.222 19.000 -0.248 0.000 0.827 303 A HN 0.286 nan 8.150 nan 0.000 0.443 304 R N -0.295 119.767 120.500 -0.730 0.000 2.127 304 R HA -0.117 4.223 4.340 0.000 0.000 0.238 304 R C 1.840 177.899 176.300 -0.401 0.000 1.134 304 R CA 1.727 57.376 56.100 -0.753 0.000 0.975 304 R CB -0.362 29.231 30.300 -1.178 0.000 0.865 304 R HN 0.351 nan 8.270 nan 0.000 0.447 305 V N 0.883 120.595 119.914 -0.338 0.000 2.515 305 V HA -0.193 3.927 4.120 0.000 0.000 0.250 305 V C 2.187 178.154 176.094 -0.212 0.000 1.058 305 V CA 1.615 63.776 62.300 -0.232 0.000 1.064 305 V CB -0.399 31.306 31.823 -0.196 0.000 0.675 305 V HN 0.212 nan 8.190 nan 0.000 0.461 306 K N 0.474 120.730 120.400 -0.241 0.000 1.984 306 K HA -0.021 4.299 4.320 0.000 0.000 0.209 306 K C 1.959 178.409 176.600 -0.250 0.000 1.046 306 K CA 1.425 57.550 56.287 -0.269 0.000 0.934 306 K CB -0.722 31.590 32.500 -0.313 0.000 0.717 306 K HN 0.293 nan 8.250 nan 0.000 0.438 307 L N 1.140 122.235 121.223 -0.212 0.000 2.197 307 L HA -0.246 4.094 4.340 0.000 0.000 0.215 307 L C 2.119 178.921 176.870 -0.114 0.000 1.095 307 L CA 1.241 55.995 54.840 -0.145 0.000 0.764 307 L CB -0.460 41.557 42.059 -0.070 0.000 0.897 307 L HN 0.329 nan 8.230 nan 0.000 0.436 308 E N -0.328 119.797 120.200 -0.125 0.000 2.072 308 E HA -0.195 4.155 4.350 0.000 0.000 0.191 308 E C 2.222 178.771 176.600 -0.085 0.000 0.985 308 E CA 0.917 57.262 56.400 -0.091 0.000 0.801 308 E CB -0.090 29.549 29.700 -0.100 0.000 0.750 308 E HN 0.525 nan 8.360 nan 0.000 0.452 309 Q N 0.210 119.941 119.800 -0.114 0.000 2.046 309 Q HA -0.085 4.255 4.340 0.000 0.000 0.200 309 Q C 2.309 178.252 176.000 -0.095 0.000 0.975 309 Q CA 0.674 56.414 55.803 -0.105 0.000 0.836 309 Q CB -0.164 28.492 28.738 -0.137 0.000 0.896 309 Q HN 0.287 nan 8.270 nan 0.000 0.428 310 I N 0.746 121.234 120.570 -0.137 0.000 2.208 310 I HA -0.230 3.940 4.170 0.000 0.000 0.245 310 I C 2.307 178.384 176.117 -0.068 0.000 1.097 310 I CA 1.344 62.579 61.300 -0.108 0.000 1.363 310 I CB -1.578 36.327 38.000 -0.159 0.000 1.051 310 I HN 0.028 nan 8.210 nan 0.000 0.413 311 A N 0.846 123.629 122.820 -0.062 0.000 1.898 311 A HA -0.034 4.286 4.320 0.000 0.000 0.216 311 A C 2.579 180.162 177.584 -0.003 0.000 1.181 311 A CA 1.802 53.828 52.037 -0.019 0.000 0.620 311 A CB -0.719 18.276 19.000 -0.008 0.000 0.819 311 A HN 0.408 nan 8.150 nan 0.000 0.442 312 A N 0.059 122.868 122.820 -0.018 0.000 1.930 312 A HA -0.143 4.177 4.320 0.000 0.000 0.217 312 A C 1.696 179.280 177.584 -0.000 0.000 1.175 312 A CA 1.888 53.919 52.037 -0.010 0.000 0.627 312 A CB -0.521 18.465 19.000 -0.023 0.000 0.815 312 A HN 0.436 nan 8.150 nan 0.000 0.443 313 D N -0.165 120.234 120.400 -0.002 0.000 2.183 313 D HA -0.032 4.608 4.640 0.000 0.000 0.203 313 D C 1.790 178.105 176.300 0.025 0.000 0.969 313 D CA 0.677 54.684 54.000 0.012 0.000 0.842 313 D CB -0.238 40.573 40.800 0.019 0.000 0.957 313 D HN 0.512 nan 8.370 nan 0.000 0.484 314 I N 0.829 121.417 120.570 0.030 0.000 2.133 314 I HA -0.251 3.919 4.170 0.000 0.000 0.238 314 I C 2.117 178.268 176.117 0.057 0.000 1.074 314 I CA 1.146 62.480 61.300 0.057 0.000 1.342 314 I CB -0.116 37.938 38.000 0.089 0.000 1.053 314 I HN -0.069 nan 8.210 nan 0.000 0.404 315 K N 0.621 121.050 120.400 0.048 0.000 2.152 315 K HA -0.153 4.167 4.320 0.000 0.000 0.206 315 K C 2.034 178.650 176.600 0.027 0.000 1.048 315 K CA 1.798 58.108 56.287 0.039 0.000 0.933 315 K CB -0.261 32.258 32.500 0.031 0.000 0.721 315 K HN 0.401 nan 8.250 nan 0.000 0.447 316 S N -0.655 115.059 115.700 0.022 0.000 2.562 316 S HA 0.082 4.552 4.470 0.000 0.000 0.221 316 S C 1.510 176.122 174.600 0.019 0.000 0.975 316 S CA 0.528 58.738 58.200 0.017 0.000 0.918 316 S CB 0.198 63.405 63.200 0.011 0.000 0.772 316 S HN 0.466 nan 8.310 nan 0.000 0.531 317 G N 1.752 110.567 108.800 0.026 0.000 2.199 317 G HA2 -0.381 3.579 3.960 0.000 0.000 0.254 317 G HA3 -0.381 3.579 3.960 0.000 0.000 0.254 317 G C 0.779 175.693 174.900 0.024 0.000 0.982 317 G CA 0.577 45.692 45.100 0.026 0.000 0.632 317 G HN 0.580 nan 8.290 nan 0.000 0.529 318 K N 0.106 120.519 120.400 0.022 0.000 2.113 318 K HA -0.001 4.319 4.320 0.000 0.000 0.208 318 K C 1.249 177.862 176.600 0.023 0.000 1.047 318 K CA 2.036 58.335 56.287 0.020 0.000 0.928 318 K CB -0.088 32.423 32.500 0.019 0.000 0.716 318 K HN 0.567 nan 8.250 nan 0.000 0.446 319 T N -1.471 113.101 114.554 0.030 0.000 2.816 319 T HA 0.255 4.605 4.350 0.000 0.000 0.299 319 T C -1.119 173.606 174.700 0.043 0.000 1.230 319 T CA -0.612 61.505 62.100 0.030 0.000 1.007 319 T CB 1.621 70.510 68.868 0.034 0.000 1.289 319 T HN 0.262 nan 8.240 nan 0.000 0.508 320 T N 0.377 114.959 114.554 0.046 0.000 2.943 320 T HA 0.497 4.847 4.350 0.000 0.000 0.284 320 T C 0.947 175.716 174.700 0.116 0.000 1.015 320 T CA -0.652 61.498 62.100 0.084 0.000 1.042 320 T CB 1.006 69.919 68.868 0.075 0.000 1.055 320 T HN 0.493 nan 8.240 nan 0.000 0.500 321 F N 1.834 121.787 119.950 0.006 0.000 2.126 321 F HA 0.061 4.588 4.527 0.000 0.000 0.299 321 F C 2.549 178.346 175.800 -0.006 0.000 1.096 321 F CA 1.897 59.900 58.000 0.004 0.000 1.255 321 F CB -0.917 38.080 39.000 -0.005 0.000 0.997 321 F HN 0.780 nan 8.300 nan 0.000 0.479 322 A N 0.055 123.062 122.820 0.312 0.000 1.930 322 A HA -0.005 4.315 4.320 0.000 0.000 0.217 322 A C 2.401 180.017 177.584 0.052 0.000 1.175 322 A CA 1.637 53.786 52.037 0.186 0.000 0.627 322 A CB -1.481 17.593 19.000 0.123 0.000 0.815 322 A HN 0.474 nan 8.150 nan 0.000 0.443 323 A N 0.053 122.887 122.820 0.024 0.000 1.858 323 A HA 0.159 4.479 4.320 0.000 0.000 0.216 323 A C 2.542 180.057 177.584 -0.115 0.000 1.190 323 A CA 2.154 54.166 52.037 -0.043 0.000 0.617 323 A CB -1.192 17.791 19.000 -0.029 0.000 0.827 323 A HN 1.106 nan 8.150 nan 0.000 0.443 324 A N -0.210 122.555 122.820 -0.093 0.000 1.948 324 A HA 0.081 4.401 4.320 0.000 0.000 0.220 324 A C 2.479 179.984 177.584 -0.132 0.000 1.177 324 A CA 2.366 54.347 52.037 -0.093 0.000 0.636 324 A CB -0.980 17.993 19.000 -0.045 0.000 0.815 324 A HN 1.091 nan 8.150 nan 0.000 0.449 325 A N -0.581 122.145 122.820 -0.157 0.000 1.898 325 A HA -0.116 4.204 4.320 0.000 0.000 0.216 325 A C 2.122 179.641 177.584 -0.109 0.000 1.181 325 A CA 1.815 53.773 52.037 -0.131 0.000 0.620 325 A CB -0.404 18.548 19.000 -0.081 0.000 0.819 325 A HN 0.511 nan 8.150 nan 0.000 0.442 326 K N -0.797 119.537 120.400 -0.110 0.000 2.283 326 K HA -0.100 4.220 4.320 0.000 0.000 0.202 326 K C 1.703 178.189 176.600 -0.191 0.000 1.048 326 K CA 1.141 57.363 56.287 -0.109 0.000 0.948 326 K CB 0.036 32.488 32.500 -0.081 0.000 0.742 326 K HN 0.386 nan 8.250 nan 0.000 0.458 327 E N -0.979 119.012 120.200 -0.349 0.000 2.400 327 E HA -0.018 4.332 4.350 0.000 0.000 0.195 327 E C 0.479 176.579 176.600 -0.832 0.000 1.012 327 E CA 0.625 56.625 56.400 -0.666 0.000 0.875 327 E CB 0.413 29.519 29.700 -0.991 0.000 0.859 327 E HN 0.226 nan 8.360 nan 0.000 0.498 328 F N -1.021 118.884 119.950 -0.076 0.000 2.675 328 F HA 0.193 4.720 4.527 0.000 0.000 0.315 328 F C 1.097 176.851 175.800 -0.077 0.000 0.888 328 F CA -0.458 57.496 58.000 -0.076 0.000 1.100 328 F CB -0.640 38.303 39.000 -0.095 0.000 0.908 328 F HN -0.293 nan 8.300 nan 0.000 0.657 329 S N 1.233 116.972 115.700 0.065 0.000 2.536 329 S HA -0.069 4.401 4.470 0.000 0.000 0.290 329 S C 1.101 175.708 174.600 0.011 0.000 1.302 329 S CA 0.223 58.407 58.200 -0.026 0.000 1.037 329 S CB 0.610 63.742 63.200 -0.114 0.000 0.804 329 S HN 0.222 nan 8.310 nan 0.000 0.506 330 Q N 1.803 121.615 119.800 0.021 0.000 2.385 330 Q HA 0.109 4.449 4.340 0.000 0.000 0.195 330 Q C 0.243 176.281 176.000 0.063 0.000 0.977 330 Q CA 0.221 56.062 55.803 0.063 0.000 0.856 330 Q CB -1.127 27.675 28.738 0.107 0.000 0.986 330 Q HN 0.926 nan 8.270 nan 0.000 0.558 331 D N 3.892 124.348 120.400 0.093 0.000 3.465 331 D HA -0.061 4.579 4.640 0.000 0.000 0.252 331 D C -2.326 174.013 176.300 0.064 0.000 1.399 331 D CA -0.383 53.676 54.000 0.098 0.000 0.946 331 D CB 0.248 41.144 40.800 0.160 0.000 1.183 331 D HN -0.098 nan 8.370 nan 0.000 0.622 332 P HA 0.284 nan 4.420 nan 0.000 0.271 332 P C 0.482 177.807 177.300 0.042 0.000 1.216 332 P CA 0.144 63.269 63.100 0.041 0.000 0.776 332 P CB 1.202 32.926 31.700 0.039 0.000 0.881 333 G N 1.264 110.087 108.800 0.039 0.000 2.173 333 G HA2 -0.026 3.934 3.960 0.000 0.000 0.174 333 G HA3 -0.026 3.934 3.960 0.000 0.000 0.174 333 G C 0.343 175.274 174.900 0.052 0.000 1.025 333 G CA 0.336 45.460 45.100 0.040 0.000 0.706 333 G HN 0.796 nan 8.290 nan 0.000 0.499 334 S N -3.655 112.077 115.700 0.053 0.000 2.365 334 S HA 0.365 4.835 4.470 0.000 0.000 0.126 334 S C 2.253 176.875 174.600 0.037 0.000 0.626 334 S CA 1.594 59.833 58.200 0.064 0.000 1.493 334 S CB -1.071 62.201 63.200 0.120 0.000 0.946 334 S HN 1.871 nan 8.310 nan 0.000 0.277 335 A N 4.197 127.027 122.820 0.018 0.000 1.884 335 A HA -0.205 4.115 4.320 0.000 0.000 0.219 335 A C 1.966 179.544 177.584 -0.009 0.000 1.197 335 A CA 2.484 54.515 52.037 -0.011 0.000 0.637 335 A CB -1.272 17.725 19.000 -0.005 0.000 0.827 335 A HN 0.956 nan 8.150 nan 0.000 0.450 336 N N -1.259 117.441 118.700 0.001 0.000 2.467 336 N HA -0.050 4.690 4.740 0.000 0.000 0.184 336 N C 0.431 175.948 175.510 0.010 0.000 1.106 336 N CA 0.493 53.541 53.050 -0.003 0.000 0.892 336 N CB -0.175 38.311 38.487 -0.001 0.000 0.969 336 N HN 0.391 nan 8.380 nan 0.000 0.454 337 Q N 0.621 120.436 119.800 0.024 0.000 2.297 337 Q HA 0.221 4.561 4.340 0.000 0.000 0.265 337 Q C 0.501 176.530 176.000 0.049 0.000 0.904 337 Q CA 0.038 55.864 55.803 0.038 0.000 0.969 337 Q CB -0.458 28.309 28.738 0.048 0.000 1.115 337 Q HN 0.568 nan 8.270 nan 0.000 0.433 338 G N 0.332 109.157 108.800 0.042 0.000 2.212 338 G HA2 -0.332 3.628 3.960 0.000 0.000 0.267 338 G HA3 -0.332 3.628 3.960 0.000 0.000 0.267 338 G C 0.870 175.847 174.900 0.128 0.000 1.002 338 G CA 0.665 45.808 45.100 0.072 0.000 0.729 338 G HN 0.814 nan 8.290 nan 0.000 0.517 339 G N -1.134 107.719 108.800 0.090 0.000 2.176 339 G HA2 -0.234 3.726 3.960 0.000 0.000 0.253 339 G HA3 -0.234 3.726 3.960 0.000 0.000 0.253 339 G C 0.277 175.246 174.900 0.115 0.000 0.979 339 G CA 0.936 46.109 45.100 0.121 0.000 0.641 339 G HN 1.311 nan 8.290 nan 0.000 0.530 340 D N 0.165 120.600 120.400 0.059 0.000 2.488 340 D HA 0.266 4.906 4.640 0.000 0.000 0.238 340 D C 1.384 177.688 176.300 0.005 0.000 1.138 340 D CA 0.189 54.178 54.000 -0.018 0.000 0.873 340 D CB 0.303 41.116 40.800 0.023 0.000 1.183 340 D HN 0.231 nan 8.370 nan 0.000 0.458 341 L N 3.083 124.261 121.223 -0.076 0.000 3.066 341 L HA 0.311 4.651 4.340 0.000 0.000 0.265 341 L C 1.407 178.280 176.870 0.006 0.000 1.232 341 L CA -0.245 54.592 54.840 -0.005 0.000 1.031 341 L CB -0.224 41.832 42.059 -0.005 0.000 1.379 341 L HN 0.668 nan 8.230 nan 0.000 0.563 342 G N 0.160 108.984 108.800 0.040 0.000 2.707 342 G HA2 -0.313 3.647 3.960 0.000 0.000 0.279 342 G HA3 -0.313 3.647 3.960 0.000 0.000 0.279 342 G C -0.736 174.295 174.900 0.218 0.000 1.345 342 G CA -0.304 44.930 45.100 0.224 0.000 0.912 342 G HN 0.234 nan 8.290 nan 0.000 0.563 343 W N 0.032 121.484 121.300 0.254 0.000 2.251 343 W HA 0.634 5.294 4.660 0.000 0.000 0.329 343 W C 0.624 177.188 176.519 0.076 0.000 1.234 343 W CA 0.876 58.334 57.345 0.188 0.000 1.228 343 W CB 1.402 30.913 29.460 0.086 0.000 1.135 343 W HN 1.193 nan 8.180 nan 0.000 0.576 344 A N 0.686 123.649 122.820 0.238 0.000 2.511 344 A HA 0.745 5.065 4.320 0.000 0.000 0.293 344 A C -1.113 176.471 177.584 -0.001 0.000 1.098 344 A CA -0.919 51.136 52.037 0.030 0.000 0.643 344 A CB 0.742 19.637 19.000 -0.174 0.000 1.302 344 A HN 0.308 nan 8.150 nan 0.000 0.446 345 T N 1.764 116.226 114.554 -0.154 0.000 2.867 345 T HA 0.501 4.851 4.350 0.000 0.000 0.282 345 T C -2.075 172.496 174.700 -0.214 0.000 1.000 345 T CA -1.181 60.853 62.100 -0.109 0.000 1.042 345 T CB 1.423 70.234 68.868 -0.095 0.000 0.973 345 T HN 0.341 nan 8.240 nan 0.000 0.465 346 P HA -0.233 nan 4.420 nan 0.000 0.216 346 P C 1.626 178.911 177.300 -0.025 0.000 1.157 346 P CA 1.245 64.391 63.100 0.078 0.000 0.880 346 P CB 0.062 31.828 31.700 0.112 0.000 0.791 347 D N 0.065 120.425 120.400 -0.066 0.000 2.149 347 D HA -0.224 4.416 4.640 0.000 0.000 0.194 347 D C 1.900 178.120 176.300 -0.134 0.000 1.001 347 D CA 1.206 55.167 54.000 -0.066 0.000 0.849 347 D CB -1.262 39.504 40.800 -0.056 0.000 0.939 347 D HN 0.221 nan 8.370 nan 0.000 0.449 348 I N -0.660 119.727 120.570 -0.306 0.000 3.164 348 I HA -0.074 4.096 4.170 0.000 0.000 0.278 348 I C -0.012 175.909 176.117 -0.326 0.000 1.320 348 I CA 0.226 61.317 61.300 -0.350 0.000 1.422 348 I CB -0.286 37.431 38.000 -0.472 0.000 1.066 348 I HN -0.160 nan 8.210 nan 0.000 0.503 349 F N 1.612 121.470 119.950 -0.153 0.000 2.404 349 F HA 0.192 4.719 4.527 0.000 0.000 0.339 349 F C 0.875 176.634 175.800 -0.068 0.000 1.105 349 F CA -1.275 56.581 58.000 -0.239 0.000 1.087 349 F CB 0.541 39.331 39.000 -0.350 0.000 1.143 349 F HN 0.022 nan 8.300 nan 0.000 0.491 350 D N 4.861 125.387 120.400 0.211 0.000 2.548 350 D HA -0.081 4.559 4.640 0.000 0.000 0.231 350 D C -1.824 174.605 176.300 0.215 0.000 1.142 350 D CA -0.806 53.331 54.000 0.230 0.000 0.866 350 D CB 1.427 42.417 40.800 0.318 0.000 1.190 350 D HN 0.230 nan 8.370 nan 0.000 0.469 351 P HA -0.158 nan 4.420 nan 0.000 0.216 351 P C 0.911 178.284 177.300 0.121 0.000 1.150 351 P CA 2.186 65.355 63.100 0.116 0.000 0.843 351 P CB 0.065 31.807 31.700 0.069 0.000 0.787 352 A N -1.820 121.075 122.820 0.125 0.000 1.898 352 A HA -0.173 4.148 4.320 0.000 0.000 0.216 352 A C 2.074 179.742 177.584 0.139 0.000 1.181 352 A CA 1.153 53.245 52.037 0.093 0.000 0.620 352 A CB -1.666 17.366 19.000 0.053 0.000 0.819 352 A HN 0.095 nan 8.150 nan 0.000 0.442 353 F N 0.433 120.409 119.950 0.043 0.000 2.060 353 F HA -0.114 4.413 4.527 0.000 0.000 0.295 353 F C 2.428 178.195 175.800 -0.053 0.000 1.120 353 F CA 1.994 59.973 58.000 -0.035 0.000 1.205 353 F CB -0.420 38.498 39.000 -0.136 0.000 0.986 353 F HN 0.187 nan 8.300 nan 0.000 0.470 354 R N 0.244 120.974 120.500 0.383 0.000 2.113 354 R HA -0.272 4.068 4.340 0.000 0.000 0.244 354 R C 2.019 178.409 176.300 0.150 0.000 1.142 354 R CA 2.397 58.664 56.100 0.280 0.000 0.953 354 R CB -0.958 29.479 30.300 0.228 0.000 0.860 354 R HN 0.377 nan 8.270 nan 0.000 0.438 355 D N -0.499 119.965 120.400 0.106 0.000 2.178 355 D HA -0.108 4.532 4.640 0.000 0.000 0.201 355 D C 1.685 177.996 176.300 0.019 0.000 0.980 355 D CA 1.395 55.427 54.000 0.054 0.000 0.842 355 D CB 0.015 40.839 40.800 0.040 0.000 0.948 355 D HN 0.417 nan 8.370 nan 0.000 0.472 356 A N 0.228 123.039 122.820 -0.014 0.000 1.858 356 A HA -0.126 4.194 4.320 0.000 0.000 0.216 356 A C 2.374 179.912 177.584 -0.078 0.000 1.190 356 A CA 1.257 53.243 52.037 -0.084 0.000 0.617 356 A CB -0.974 17.899 19.000 -0.213 0.000 0.827 356 A HN 0.345 nan 8.150 nan 0.000 0.443 357 L N -0.529 120.652 121.223 -0.069 0.000 2.051 357 L HA -0.250 4.090 4.340 0.000 0.000 0.214 357 L C 2.786 179.656 176.870 -0.000 0.000 1.076 357 L CA 1.966 56.788 54.840 -0.031 0.000 0.758 357 L CB -1.427 40.664 42.059 0.054 0.000 0.890 357 L HN 0.385 nan 8.230 nan 0.000 0.433 358 T N -0.540 114.027 114.554 0.023 0.000 2.653 358 T HA -0.254 4.096 4.350 0.000 0.000 0.268 358 T C 1.805 176.511 174.700 0.010 0.000 1.035 358 T CA 1.528 63.642 62.100 0.024 0.000 1.154 358 T CB -0.243 68.643 68.868 0.030 0.000 0.862 358 T HN 0.341 nan 8.240 nan 0.000 0.441 359 R N 0.180 120.679 120.500 -0.002 0.000 2.334 359 R HA 0.301 4.641 4.340 0.000 0.000 0.220 359 R C 0.018 176.311 176.300 -0.011 0.000 0.917 359 R CA -0.077 56.021 56.100 -0.004 0.000 1.073 359 R CB -0.014 30.284 30.300 -0.004 0.000 1.056 359 R HN 0.359 nan 8.270 nan 0.000 0.506 360 L N 1.039 122.251 121.223 -0.020 0.000 2.357 360 L HA 0.234 4.574 4.340 0.000 0.000 0.273 360 L C -0.063 176.796 176.870 -0.018 0.000 1.080 360 L CA -0.432 54.392 54.840 -0.027 0.000 0.803 360 L CB 1.390 43.418 42.059 -0.051 0.000 1.174 360 L HN 0.102 nan 8.230 nan 0.000 0.443 361 N N 1.812 120.502 118.700 -0.018 0.000 2.487 361 N HA 0.224 4.964 4.740 0.000 0.000 0.292 361 N C -0.901 174.596 175.510 -0.021 0.000 1.108 361 N CA -0.897 52.146 53.050 -0.012 0.000 0.956 361 N CB 1.280 39.763 38.487 -0.007 0.000 1.176 361 N HN 0.440 nan 8.380 nan 0.000 0.484 362 K N 0.819 121.211 120.400 -0.014 0.000 2.504 362 K HA -0.095 4.225 4.320 0.000 0.000 0.278 362 K C 1.109 177.690 176.600 -0.030 0.000 1.025 362 K CA 0.961 57.235 56.287 -0.021 0.000 1.093 362 K CB 0.058 32.557 32.500 -0.002 0.000 0.873 362 K HN 0.894 nan 8.250 nan 0.000 0.483 363 G N 1.903 110.670 108.800 -0.054 0.000 2.234 363 G HA2 -0.365 3.595 3.960 0.000 0.000 0.260 363 G HA3 -0.365 3.595 3.960 0.000 0.000 0.260 363 G C 0.209 175.073 174.900 -0.060 0.000 0.987 363 G CA 0.351 45.413 45.100 -0.063 0.000 0.625 363 G HN 0.627 nan 8.290 nan 0.000 0.532 364 Q N 0.164 119.936 119.800 -0.047 0.000 2.394 364 Q HA 0.631 4.971 4.340 0.000 0.000 0.248 364 Q C 0.387 176.364 176.000 -0.039 0.000 0.992 364 Q CA -0.285 55.499 55.803 -0.032 0.000 0.888 364 Q CB 0.403 29.128 28.738 -0.022 0.000 1.257 364 Q HN 0.453 nan 8.270 nan 0.000 0.462 365 M N 2.070 121.667 119.600 -0.005 0.000 2.404 365 M HA 0.292 4.772 4.480 0.000 0.000 0.338 365 M C -0.373 175.938 176.300 0.019 0.000 1.150 365 M CA -0.476 54.841 55.300 0.028 0.000 1.016 365 M CB 1.683 34.341 32.600 0.097 0.000 1.672 365 M HN 0.876 nan 8.290 nan 0.000 0.448 366 S N 2.902 118.610 115.700 0.013 0.000 2.661 366 S HA 0.780 5.250 4.470 0.000 0.000 0.265 366 S C 0.009 174.626 174.600 0.028 0.000 1.225 366 S CA -0.708 57.491 58.200 -0.002 0.000 0.986 366 S CB 1.154 64.326 63.200 -0.047 0.000 1.008 366 S HN 0.796 nan 8.310 nan 0.000 0.565 367 A N 0.534 123.372 122.820 0.031 0.000 2.274 367 A HA 0.777 5.097 4.320 0.000 0.000 0.297 367 A C -2.680 174.956 177.584 0.086 0.000 1.191 367 A CA -2.138 49.930 52.037 0.052 0.000 0.889 367 A CB -0.919 18.113 19.000 0.053 0.000 1.294 367 A HN 0.682 nan 8.150 nan 0.000 0.506 368 P HA 0.348 nan 4.420 nan 0.000 0.271 368 P C -1.132 176.339 177.300 0.285 0.000 1.218 368 P CA 0.069 63.313 63.100 0.239 0.000 0.780 368 P CB 0.757 32.616 31.700 0.266 0.000 0.901 369 V N 3.194 123.229 119.914 0.202 0.000 2.588 369 V HA 0.241 4.361 4.120 0.000 0.000 0.304 369 V C -0.235 175.622 176.094 -0.394 0.000 1.042 369 V CA -0.587 61.697 62.300 -0.026 0.000 0.877 369 V CB 1.502 33.313 31.823 -0.019 0.000 0.996 369 V HN 0.595 nan 8.190 nan 0.000 0.425 370 H N 3.384 121.914 119.070 -0.901 0.000 2.527 370 H HA 0.733 5.289 4.556 0.000 0.000 0.321 370 H C -0.006 174.961 175.328 -0.603 0.000 1.087 370 H CA 0.293 55.550 56.048 -1.318 0.000 1.337 370 H CB 1.772 30.572 29.762 -1.603 0.000 1.440 370 H HN 0.852 nan 8.280 nan 0.000 0.490 371 S N 1.568 117.227 115.700 -0.067 0.000 2.794 371 S HA 0.213 4.683 4.470 0.000 0.000 0.299 371 S C 1.140 175.811 174.600 0.118 0.000 1.179 371 S CA -0.146 58.096 58.200 0.069 0.000 0.838 371 S CB 0.776 64.110 63.200 0.222 0.000 1.206 371 S HN 0.530 nan 8.310 nan 0.000 0.523 372 S N -0.011 115.752 115.700 0.106 0.000 2.419 372 S HA -0.023 4.447 4.470 0.000 0.000 0.233 372 S C 1.090 175.630 174.600 -0.101 0.000 1.016 372 S CA 0.895 59.081 58.200 -0.024 0.000 0.974 372 S CB -0.914 62.235 63.200 -0.086 0.000 0.786 372 S HN 0.604 nan 8.310 nan 0.000 0.492 373 F N 2.129 122.122 119.950 0.073 0.000 2.698 373 F HA 0.464 4.991 4.527 0.000 0.000 0.295 373 F C 1.797 177.608 175.800 0.019 0.000 1.124 373 F CA 0.477 58.526 58.000 0.082 0.000 1.426 373 F CB 0.315 39.414 39.000 0.165 0.000 1.120 373 F HN 0.586 nan 8.300 nan 0.000 0.583 374 G N -1.232 107.586 108.800 0.030 0.000 2.247 374 G HA2 -0.066 3.895 3.960 0.000 0.000 0.229 374 G HA3 -0.066 3.895 3.960 0.000 0.000 0.229 374 G C -1.892 172.633 174.900 -0.625 0.000 1.345 374 G CA -1.176 43.805 45.100 -0.200 0.000 1.100 374 G HN -0.044 nan 8.290 nan 0.000 0.473 375 W N 2.086 123.122 121.300 -0.439 0.000 2.478 375 W HA 0.761 5.421 4.660 0.000 0.000 0.318 375 W C 0.012 176.366 176.519 -0.275 0.000 1.062 375 W CA 0.125 57.214 57.345 -0.428 0.000 1.210 375 W CB 1.593 30.869 29.460 -0.305 0.000 1.325 375 W HN 0.899 nan 8.180 nan 0.000 0.496 376 H N 0.406 119.590 119.070 0.190 0.000 3.046 376 H HA 0.517 5.073 4.556 0.000 0.000 0.361 376 H C -1.366 174.007 175.328 0.075 0.000 1.235 376 H CA -1.497 54.640 56.048 0.150 0.000 1.146 376 H CB 0.416 30.350 29.762 0.286 0.000 1.859 376 H HN 0.296 nan 8.280 nan 0.000 0.548 377 L N 2.569 123.914 121.223 0.204 0.000 2.281 377 L HA 0.377 4.717 4.340 0.000 0.000 0.285 377 L C -0.296 176.664 176.870 0.150 0.000 1.074 377 L CA -0.370 54.544 54.840 0.123 0.000 0.817 377 L CB 0.355 42.432 42.059 0.031 0.000 1.168 377 L HN 0.537 nan 8.230 nan 0.000 0.434 378 I N 3.779 124.368 120.570 0.030 0.000 2.378 378 I HA 0.286 4.456 4.170 0.000 0.000 0.291 378 I C -0.139 175.952 176.117 -0.043 0.000 0.992 378 I CA -0.367 60.868 61.300 -0.107 0.000 1.154 378 I CB 1.908 39.618 38.000 -0.483 0.000 1.315 378 I HN 0.598 nan 8.210 nan 0.000 0.448 379 E N 6.126 126.271 120.200 -0.091 0.000 2.185 379 E HA 0.311 4.661 4.350 0.000 0.000 0.261 379 E C -1.372 175.080 176.600 -0.247 0.000 0.879 379 E CA -0.980 55.288 56.400 -0.221 0.000 0.756 379 E CB 1.772 31.133 29.700 -0.564 0.000 1.152 379 E HN 0.402 nan 8.360 nan 0.000 0.416 380 L N 6.356 127.475 121.223 -0.174 0.000 2.315 380 L HA 0.220 4.560 4.340 0.000 0.000 0.283 380 L C -0.386 176.396 176.870 -0.145 0.000 1.089 380 L CA 0.438 55.189 54.840 -0.147 0.000 0.833 380 L CB 0.307 42.312 42.059 -0.091 0.000 1.170 380 L HN 0.779 nan 8.230 nan 0.000 0.442 381 L N 2.500 123.622 121.223 -0.168 0.000 2.292 381 L HA 0.343 4.683 4.340 0.000 0.000 0.196 381 L C 0.275 177.109 176.870 -0.059 0.000 1.246 381 L CA 0.116 54.889 54.840 -0.112 0.000 0.864 381 L CB -0.177 41.831 42.059 -0.085 0.000 1.044 381 L HN 0.582 nan 8.230 nan 0.000 0.504 382 D N -1.727 118.620 120.400 -0.089 0.000 2.497 382 D HA 0.389 5.029 4.640 0.000 0.000 0.243 382 D C -1.243 175.063 176.300 0.010 0.000 1.039 382 D CA -0.205 53.793 54.000 -0.002 0.000 1.052 382 D CB 2.222 43.111 40.800 0.148 0.000 1.344 382 D HN -0.072 nan 8.370 nan 0.000 0.553 383 T N 0.825 115.504 114.554 0.207 0.000 3.089 383 T HA 0.334 4.684 4.350 0.000 0.000 0.340 383 T C -0.809 174.085 174.700 0.323 0.000 1.008 383 T CA -0.746 61.509 62.100 0.259 0.000 1.096 383 T CB 0.462 69.412 68.868 0.136 0.000 1.024 383 T HN 0.372 nan 8.240 nan 0.000 0.477 384 R N 2.084 122.871 120.500 0.478 0.000 2.540 384 R HA 0.707 5.047 4.340 0.000 0.000 0.287 384 R C -0.722 175.646 176.300 0.114 0.000 0.980 384 R CA -0.760 55.445 56.100 0.175 0.000 0.966 384 R CB 0.908 31.135 30.300 -0.122 0.000 1.106 384 R HN 0.250 nan 8.270 nan 0.000 0.480 397 A N 0.271 123.055 122.820 -0.060 0.000 2.014 397 A HA 0.044 4.364 4.320 0.000 0.000 0.218 397 A C 1.350 178.789 177.584 -0.241 0.000 1.163 397 A CA 0.993 52.909 52.037 -0.202 0.000 0.652 397 A CB -0.432 18.355 19.000 -0.355 0.000 0.808 397 A HN 0.455 nan 8.150 nan 0.000 0.449 398 Y N -0.526 119.770 120.300 -0.007 0.000 2.314 398 Y HA 0.022 4.572 4.550 0.000 0.000 0.294 398 Y C 2.568 178.464 175.900 -0.006 0.000 1.119 398 Y CA 1.050 59.147 58.100 -0.006 0.000 1.179 398 Y CB -0.142 38.313 38.460 -0.008 0.000 1.025 398 Y HN 0.145 nan 8.280 nan 0.000 0.541 399 R N -0.143 120.442 120.500 0.142 0.000 2.090 399 R HA -0.143 4.197 4.340 0.000 0.000 0.228 399 R C 2.311 178.632 176.300 0.036 0.000 1.110 399 R CA 1.384 57.523 56.100 0.066 0.000 0.973 399 R CB -0.365 29.959 30.300 0.041 0.000 0.869 399 R HN 0.392 nan 8.270 nan 0.000 0.440 400 M N 0.842 120.454 119.600 0.021 0.000 2.088 400 M HA -0.243 4.237 4.480 0.000 0.000 0.256 400 M C 2.113 178.418 176.300 0.009 0.000 1.071 400 M CA 1.774 57.073 55.300 -0.001 0.000 1.097 400 M CB -0.140 32.440 32.600 -0.033 0.000 1.315 400 M HN 0.203 nan 8.290 nan 0.000 0.406 401 L N 0.433 121.662 121.223 0.010 0.000 2.005 401 L HA -0.197 4.143 4.340 0.000 0.000 0.207 401 L C 2.383 179.283 176.870 0.051 0.000 1.072 401 L CA 1.875 56.730 54.840 0.024 0.000 0.744 401 L CB -0.723 41.351 42.059 0.025 0.000 0.895 401 L HN 0.383 nan 8.230 nan 0.000 0.433 402 M N 0.178 119.814 119.600 0.061 0.000 2.089 402 M HA -0.264 4.216 4.480 0.000 0.000 0.257 402 M C 2.018 178.370 176.300 0.087 0.000 1.071 402 M CA 1.798 57.139 55.300 0.068 0.000 1.096 402 M CB -0.847 31.780 32.600 0.046 0.000 1.330 402 M HN 0.378 nan 8.290 nan 0.000 0.403 403 N N -0.756 117.978 118.700 0.057 0.000 2.244 403 N HA -0.109 4.631 4.740 0.000 0.000 0.183 403 N C 1.823 177.407 175.510 0.124 0.000 1.016 403 N CA 1.101 54.194 53.050 0.073 0.000 0.866 403 N CB -0.300 38.198 38.487 0.020 0.000 0.980 403 N HN 0.447 nan 8.380 nan 0.000 0.430 404 R N 1.162 121.713 120.500 0.084 0.000 2.075 404 R HA 0.031 4.371 4.340 0.000 0.000 0.232 404 R C 2.071 178.427 176.300 0.094 0.000 1.126 404 R CA 1.020 57.165 56.100 0.076 0.000 0.963 404 R CB -0.004 30.326 30.300 0.049 0.000 0.858 404 R HN 0.185 nan 8.270 nan 0.000 0.435 405 K N -0.441 120.019 120.400 0.100 0.000 2.148 405 K HA -0.135 4.185 4.320 0.000 0.000 0.204 405 K C 1.794 178.463 176.600 0.114 0.000 1.050 405 K CA 1.065 57.406 56.287 0.090 0.000 0.942 405 K CB -0.094 32.455 32.500 0.082 0.000 0.724 405 K HN 0.082 nan 8.250 nan 0.000 0.446 406 F N 1.738 121.694 119.950 0.010 0.000 2.084 406 F HA -0.249 4.278 4.527 0.000 0.000 0.296 406 F C 2.547 178.360 175.800 0.022 0.000 1.111 406 F CA 1.795 59.797 58.000 0.004 0.000 1.224 406 F CB -0.451 38.546 39.000 -0.006 0.000 0.991 406 F HN 0.004 nan 8.300 nan 0.000 0.471 407 S N -0.152 115.667 115.700 0.199 0.000 2.359 407 S HA -0.326 4.144 4.470 0.000 0.000 0.223 407 S C 1.962 176.564 174.600 0.003 0.000 1.039 407 S CA 1.453 59.713 58.200 0.100 0.000 1.042 407 S CB -1.014 62.267 63.200 0.134 0.000 0.915 407 S HN 0.553 nan 8.310 nan 0.000 0.439 408 E N 1.675 121.896 120.200 0.035 0.000 2.021 408 E HA -0.224 4.126 4.350 0.000 0.000 0.200 408 E C 2.115 178.710 176.600 -0.007 0.000 1.015 408 E CA 1.885 58.313 56.400 0.047 0.000 0.824 408 E CB -0.649 29.082 29.700 0.052 0.000 0.762 408 E HN 0.548 nan 8.360 nan 0.000 0.454 409 E N -0.151 120.008 120.200 -0.068 0.000 2.097 409 E HA -0.209 4.141 4.350 0.000 0.000 0.196 409 E C 1.841 178.364 176.600 -0.128 0.000 1.000 409 E CA 1.716 58.054 56.400 -0.103 0.000 0.804 409 E CB -0.687 28.917 29.700 -0.161 0.000 0.740 409 E HN 0.375 nan 8.360 nan 0.000 0.454 410 A N 0.460 123.098 122.820 -0.303 0.000 1.902 410 A HA -0.086 4.234 4.320 0.000 0.000 0.217 410 A C 2.403 180.010 177.584 0.039 0.000 1.181 410 A CA 2.217 54.118 52.037 -0.227 0.000 0.623 410 A CB -0.981 17.760 19.000 -0.431 0.000 0.818 410 A HN 0.374 nan 8.150 nan 0.000 0.443 411 A N -0.784 122.051 122.820 0.026 0.000 1.845 411 A HA -0.126 4.194 4.320 0.000 0.000 0.215 411 A C 2.482 180.112 177.584 0.077 0.000 1.195 411 A CA 2.246 54.325 52.037 0.071 0.000 0.616 411 A CB -1.268 17.785 19.000 0.087 0.000 0.832 411 A HN 0.599 nan 8.150 nan 0.000 0.443 412 S N -1.642 114.100 115.700 0.070 0.000 2.372 412 S HA -0.277 4.193 4.470 0.000 0.000 0.227 412 S C 1.652 176.324 174.600 0.120 0.000 1.044 412 S CA 2.153 60.395 58.200 0.071 0.000 1.050 412 S CB -0.574 62.661 63.200 0.059 0.000 0.901 412 S HN 0.718 nan 8.310 nan 0.000 0.447 413 W N 1.644 122.906 121.300 -0.063 0.000 2.329 413 W HA -0.144 4.516 4.660 0.000 0.000 0.324 413 W C 2.361 178.856 176.519 -0.040 0.000 1.222 413 W CA 2.086 59.397 57.345 -0.056 0.000 1.270 413 W CB -0.832 28.579 29.460 -0.081 0.000 1.167 413 W HN 0.287 nan 8.180 nan 0.000 0.467 414 M N 0.168 119.770 119.600 0.003 0.000 2.106 414 M HA -0.337 4.143 4.480 0.000 0.000 0.259 414 M C 2.298 178.476 176.300 -0.203 0.000 1.068 414 M CA 2.254 57.402 55.300 -0.253 0.000 1.100 414 M CB -1.027 31.546 32.600 -0.044 0.000 1.351 414 M HN 0.266 nan 8.290 nan 0.000 0.404 415 Q N 0.642 120.392 119.800 -0.083 0.000 2.029 415 Q HA -0.253 4.087 4.340 0.000 0.000 0.209 415 Q C 1.819 177.756 176.000 -0.104 0.000 0.999 415 Q CA 2.145 57.909 55.803 -0.065 0.000 0.857 415 Q CB -0.033 28.694 28.738 -0.019 0.000 0.926 415 Q HN 0.541 nan 8.270 nan 0.000 0.415 416 E N -0.535 119.596 120.200 -0.115 0.000 2.038 416 E HA -0.234 4.116 4.350 0.000 0.000 0.195 416 E C 2.253 178.731 176.600 -0.203 0.000 1.000 416 E CA 1.135 57.460 56.400 -0.126 0.000 0.803 416 E CB -0.041 29.606 29.700 -0.089 0.000 0.750 416 E HN 0.349 nan 8.360 nan 0.000 0.448 417 Q N 0.434 120.006 119.800 -0.380 0.000 2.077 417 Q HA -0.223 4.117 4.340 0.000 0.000 0.206 417 Q C 2.226 178.077 176.000 -0.249 0.000 0.989 417 Q CA 1.403 56.961 55.803 -0.408 0.000 0.853 417 Q CB -0.444 27.850 28.738 -0.741 0.000 0.907 417 Q HN 0.041 nan 8.270 nan 0.000 0.418 418 R N 0.803 121.170 120.500 -0.222 0.000 2.105 418 R HA -0.075 4.265 4.340 0.000 0.000 0.239 418 R C 1.917 178.158 176.300 -0.099 0.000 1.135 418 R CA 1.682 57.694 56.100 -0.145 0.000 0.967 418 R CB -0.808 29.418 30.300 -0.124 0.000 0.861 418 R HN 0.237 nan 8.270 nan 0.000 0.442 419 A N -0.089 122.677 122.820 -0.090 0.000 1.825 419 A HA -0.078 4.242 4.320 0.000 0.000 0.214 419 A C 1.402 178.959 177.584 -0.045 0.000 1.206 419 A CA 1.516 53.520 52.037 -0.055 0.000 0.609 419 A CB -0.984 17.988 19.000 -0.047 0.000 0.851 419 A HN 0.497 nan 8.150 nan 0.000 0.445 420 S N -0.088 115.579 115.700 -0.056 0.000 4.085 420 S HA 0.579 5.049 4.470 0.000 0.000 0.189 420 S C -0.033 174.546 174.600 -0.034 0.000 1.392 420 S CA 0.099 58.277 58.200 -0.037 0.000 0.972 420 S CB -1.017 62.159 63.200 -0.040 0.000 1.482 420 S HN 1.258 nan 8.310 nan 0.000 0.446 421 A N 1.565 124.375 122.820 -0.016 0.000 2.549 421 A HA 0.569 4.889 4.320 0.000 0.000 0.297 421 A C -1.264 176.361 177.584 0.069 0.000 1.061 421 A CA -0.847 51.194 52.037 0.006 0.000 0.690 421 A CB 0.820 19.791 19.000 -0.049 0.000 1.287 421 A HN 0.562 nan 8.150 nan 0.000 0.402 422 Y N 2.820 123.095 120.300 -0.040 0.000 2.539 422 Y HA 0.462 5.012 4.550 0.000 0.000 0.352 422 Y C -0.118 175.764 175.900 -0.031 0.000 1.004 422 Y CA -0.456 57.625 58.100 -0.031 0.000 1.278 422 Y CB 0.623 39.068 38.460 -0.024 0.000 1.136 422 Y HN 1.045 nan 8.280 nan 0.000 0.528 423 V N 4.852 124.579 119.914 -0.313 0.000 2.686 423 V HA 0.688 4.808 4.120 0.000 0.000 0.306 423 V C -1.427 174.471 176.094 -0.327 0.000 1.065 423 V CA -1.096 60.990 62.300 -0.356 0.000 0.894 423 V CB 2.123 33.841 31.823 -0.175 0.000 1.004 423 V HN 0.538 nan 8.190 nan 0.000 0.424 424 K N 5.142 125.338 120.400 -0.340 0.000 2.378 424 K HA 0.646 4.966 4.320 0.000 0.000 0.252 424 K C -1.269 175.252 176.600 -0.131 0.000 0.931 424 K CA -0.486 55.677 56.287 -0.207 0.000 0.794 424 K CB 2.825 35.196 32.500 -0.215 0.000 1.181 424 K HN 0.827 nan 8.250 nan 0.000 0.425 425 I N 5.090 125.613 120.570 -0.078 0.000 2.359 425 I HA 0.226 4.396 4.170 0.000 0.000 0.284 425 I C 0.274 176.369 176.117 -0.036 0.000 1.018 425 I CA -0.631 60.638 61.300 -0.052 0.000 1.173 425 I CB 0.728 38.709 38.000 -0.032 0.000 1.326 425 I HN 0.303 nan 8.210 nan 0.000 0.462 426 L N 4.093 125.295 121.223 -0.035 0.000 2.479 426 L HA 0.363 4.703 4.340 0.000 0.000 0.248 426 L C 0.721 177.581 176.870 -0.017 0.000 1.205 426 L CA -0.053 54.773 54.840 -0.024 0.000 0.817 426 L CB 0.628 42.672 42.059 -0.024 0.000 1.162 426 L HN 0.495 nan 8.230 nan 0.000 0.486 427 S N 0.000 115.693 115.700 -0.012 0.000 2.498 427 S HA 0.000 4.470 4.470 0.000 0.000 0.327 427 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 427 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 427 S HN 0.000 nan 8.310 nan 0.000 0.517