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 2osy_1_A DATA FIRST_RESID 43 DATA SEQUENCE PSYLKDDDGR SLILRGFNTA SSAKSAPDGM PQFTEADLAR EYADMGTNFV DATA SEQUENCE RFLISWRSVE PAPGVYDQQY LDRVEDRVGW YAERGYKVML DMHQDVYSGA DATA SEQUENCE ITPXXXXXXG AGAIGNGAPA WATYMDGLPV EPQPRWELYY IQPGVMRAFD DATA SEQUENCE NFWNTTGKHP ELVEHYAKAW RAVADRFADN DAVVAYDLMN APFGGSLQGP DATA SEQUENCE AFEAGPLAAM YQRTTDAIRQ VDQDTWVCVA PQAIGVNQGL PSGLTKIDDP DATA SEQUENCE RAGQQRIAYC PHLYPXXXXX XXXXXGLART LTDVTIDAWR ANTAHTARVL DATA SEQUENCE GDVPIILGEF GLDTTLPGAR DYIERVYGTA REMGAGVSYW SSDPGPWGPY DATA SEQUENCE LPDGTQTLLV DTLNKPYPRA VAGTPTEWSS TSDRLQLTIE PDAAITAPTE DATA SEQUENCE IYLPEAGFPG DVHVEGADVV GWDRQSRLLT VRTPADSGNV TVTVTPAA 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.191 177.300 -0.182 0.000 1.155 43 P CA 0.000 63.024 63.100 -0.126 0.000 0.800 43 P CB 0.000 31.604 31.700 -0.159 0.000 0.726 44 S N 0.713 116.254 115.700 -0.266 0.000 2.593 44 S HA 0.791 5.261 4.470 0.001 0.000 0.297 44 S C -1.105 173.229 174.600 -0.443 0.000 1.112 44 S CA -0.559 57.528 58.200 -0.189 0.000 1.043 44 S CB 0.725 63.885 63.200 -0.066 0.000 1.054 44 S HN 0.361 nan 8.310 nan 0.000 0.516 45 Y N 0.555 120.830 120.300 -0.042 0.000 2.462 45 Y HA 0.495 5.045 4.550 0.001 0.000 0.346 45 Y C -0.297 175.464 175.900 -0.231 0.000 0.976 45 Y CA -1.134 56.890 58.100 -0.126 0.000 1.044 45 Y CB 0.774 39.178 38.460 -0.093 0.000 1.230 45 Y HN 0.386 nan 8.280 nan 0.000 0.455 46 L N 3.100 124.101 121.223 -0.369 0.000 2.467 46 L HA 0.204 4.545 4.340 0.001 0.000 0.270 46 L C -0.210 176.420 176.870 -0.399 0.000 1.205 46 L CA 0.373 54.652 54.840 -0.935 0.000 0.828 46 L CB 0.176 41.527 42.059 -1.181 0.000 1.101 46 L HN 0.550 nan 8.230 nan 0.000 0.479 47 K N 0.527 120.756 120.400 -0.285 0.000 2.385 47 K HA 0.423 4.744 4.320 0.001 0.000 0.248 47 K C -1.152 175.484 176.600 0.060 0.000 0.955 47 K CA -1.020 55.265 56.287 -0.004 0.000 0.816 47 K CB 1.776 34.354 32.500 0.130 0.000 1.250 47 K HN 0.630 nan 8.250 nan 0.000 0.434 48 D N -0.356 120.070 120.400 0.042 0.000 2.478 48 D HA 0.037 4.678 4.640 0.001 0.000 0.269 48 D C 0.250 176.603 176.300 0.088 0.000 1.232 48 D CA -0.255 53.784 54.000 0.065 0.000 1.059 48 D CB 0.408 41.227 40.800 0.032 0.000 1.104 48 D HN 0.328 nan 8.370 nan 0.000 0.566 49 D N -1.128 119.319 120.400 0.078 0.000 2.310 49 D HA -0.083 4.557 4.640 0.001 0.000 0.212 49 D C 0.386 176.716 176.300 0.051 0.000 0.965 49 D CA 0.767 54.808 54.000 0.070 0.000 0.879 49 D CB -0.067 40.769 40.800 0.060 0.000 0.921 49 D HN 0.390 nan 8.370 nan 0.000 0.510 50 D N -0.653 119.771 120.400 0.039 0.000 2.328 50 D HA 0.120 4.761 4.640 0.001 0.000 0.221 50 D C 1.436 177.751 176.300 0.025 0.000 1.072 50 D CA 0.362 54.377 54.000 0.026 0.000 0.850 50 D CB 0.692 41.500 40.800 0.013 0.000 0.922 50 D HN 0.208 nan 8.370 nan 0.000 0.516 51 G N 1.903 110.728 108.800 0.041 0.000 2.162 51 G HA2 -0.340 3.621 3.960 0.001 0.000 0.260 51 G HA3 -0.340 3.621 3.960 0.001 0.000 0.260 51 G C 0.382 175.294 174.900 0.020 0.000 0.976 51 G CA -0.171 44.956 45.100 0.045 0.000 0.655 51 G HN 0.294 nan 8.290 nan 0.000 0.533 52 R N 0.466 120.964 120.500 -0.003 0.000 2.539 52 R HA 0.488 4.829 4.340 0.001 0.000 0.275 52 R C 0.218 176.481 176.300 -0.062 0.000 1.077 52 R CA -0.003 56.072 56.100 -0.043 0.000 1.097 52 R CB 0.727 30.992 30.300 -0.057 0.000 1.018 52 R HN 0.181 nan 8.270 nan 0.000 0.483 53 S N 2.838 118.465 115.700 -0.122 0.000 2.489 53 S HA 0.232 4.702 4.470 0.001 0.000 0.277 53 S C 0.056 174.528 174.600 -0.214 0.000 1.230 53 S CA -0.611 57.485 58.200 -0.173 0.000 1.053 53 S CB 0.438 63.435 63.200 -0.339 0.000 0.955 53 S HN 0.298 nan 8.310 nan 0.000 0.488 54 L N 4.291 125.440 121.223 -0.123 0.000 2.290 54 L HA 0.457 4.797 4.340 0.001 0.000 0.284 54 L C -0.382 176.473 176.870 -0.024 0.000 1.078 54 L CA -0.270 54.511 54.840 -0.098 0.000 0.815 54 L CB 0.475 42.465 42.059 -0.116 0.000 1.162 54 L HN 0.528 nan 8.230 nan 0.000 0.435 55 I N 5.049 125.602 120.570 -0.029 0.000 2.328 55 I HA 0.286 4.456 4.170 0.001 0.000 0.287 55 I C -0.388 175.795 176.117 0.109 0.000 1.012 55 I CA -0.180 61.169 61.300 0.083 0.000 1.195 55 I CB 1.062 39.106 38.000 0.073 0.000 1.350 55 I HN 0.393 nan 8.210 nan 0.000 0.464 56 L N 7.246 128.463 121.223 -0.010 0.000 2.272 56 L HA 0.570 4.911 4.340 0.001 0.000 0.289 56 L C -0.168 176.692 176.870 -0.016 0.000 1.032 56 L CA -0.635 54.127 54.840 -0.130 0.000 0.810 56 L CB 0.672 42.305 42.059 -0.711 0.000 1.205 56 L HN 0.458 nan 8.230 nan 0.000 0.422 57 R N 2.958 123.519 120.500 0.101 0.000 2.502 57 R HA 0.775 5.116 4.340 0.001 0.000 0.298 57 R C -0.293 176.127 176.300 0.199 0.000 1.018 57 R CA -0.568 55.557 56.100 0.042 0.000 0.899 57 R CB 1.957 32.006 30.300 -0.418 0.000 1.181 57 R HN 0.845 nan 8.270 nan 0.000 0.444 58 G N 1.494 110.433 108.800 0.231 0.000 2.494 58 G HA2 0.539 4.500 3.960 0.001 0.000 0.308 58 G HA3 0.539 4.500 3.960 0.001 0.000 0.308 58 G C -1.745 173.110 174.900 -0.074 0.000 1.263 58 G CA -0.474 44.755 45.100 0.215 0.000 0.840 58 G HN 0.191 nan 8.290 nan 0.000 0.479 59 F N 0.454 120.539 119.950 0.224 0.000 2.579 59 F HA 0.472 4.999 4.527 0.001 0.000 0.324 59 F C 0.535 176.341 175.800 0.011 0.000 1.058 59 F CA -0.932 57.163 58.000 0.160 0.000 0.944 59 F CB 2.032 41.103 39.000 0.118 0.000 1.245 59 F HN 0.145 nan 8.300 nan 0.000 0.477 60 N N 1.314 120.125 118.700 0.186 0.000 2.452 60 N HA 0.152 4.892 4.740 0.001 0.000 0.266 60 N C -0.998 174.384 175.510 -0.213 0.000 1.175 60 N CA 0.417 53.456 53.050 -0.017 0.000 0.945 60 N CB 0.882 39.362 38.487 -0.012 0.000 1.063 60 N HN 0.496 nan 8.380 nan 0.000 0.472 61 T N 1.425 115.808 114.554 -0.285 0.000 2.847 61 T HA 0.616 4.967 4.350 0.001 0.000 0.291 61 T C -0.451 173.886 174.700 -0.605 0.000 0.998 61 T CA -0.600 61.223 62.100 -0.461 0.000 0.967 61 T CB 1.422 69.948 68.868 -0.570 0.000 0.954 61 T HN 0.572 nan 8.240 nan 0.000 0.441 62 A N 1.589 124.078 122.820 -0.553 0.000 2.594 62 A HA 0.781 5.102 4.320 0.001 0.000 0.291 62 A C 1.136 178.476 177.584 -0.407 0.000 1.105 62 A CA -0.598 51.161 52.037 -0.464 0.000 0.694 62 A CB 1.219 20.012 19.000 -0.345 0.000 1.291 62 A HN 0.551 nan 8.150 nan 0.000 0.410 63 S N -0.121 115.324 115.700 -0.426 0.000 2.442 63 S HA -0.135 4.336 4.470 0.001 0.000 0.236 63 S C 1.933 176.423 174.600 -0.183 0.000 1.007 63 S CA 2.228 60.280 58.200 -0.246 0.000 0.965 63 S CB -0.492 62.619 63.200 -0.147 0.000 0.773 63 S HN 1.417 nan 8.310 nan 0.000 0.504 64 S N 1.107 116.701 115.700 -0.177 0.000 2.442 64 S HA 0.068 4.539 4.470 0.001 0.000 0.236 64 S C 1.947 176.480 174.600 -0.111 0.000 1.007 64 S CA 0.833 58.962 58.200 -0.118 0.000 0.965 64 S CB -0.576 62.578 63.200 -0.077 0.000 0.773 64 S HN 0.582 nan 8.310 nan 0.000 0.504 65 A N 2.323 125.053 122.820 -0.150 0.000 1.969 65 A HA -0.026 4.294 4.320 0.001 0.000 0.218 65 A C 2.176 179.692 177.584 -0.114 0.000 1.169 65 A CA 1.366 53.324 52.037 -0.132 0.000 0.635 65 A CB -0.565 18.310 19.000 -0.208 0.000 0.810 65 A HN 0.596 nan 8.150 nan 0.000 0.445 66 K N 0.440 120.763 120.400 -0.128 0.000 2.089 66 K HA -0.174 4.146 4.320 0.001 0.000 0.210 66 K C 2.058 178.593 176.600 -0.108 0.000 1.048 66 K CA 1.932 58.154 56.287 -0.107 0.000 0.926 66 K CB -0.213 32.223 32.500 -0.106 0.000 0.714 66 K HN 0.671 nan 8.250 nan 0.000 0.448 67 S N -0.317 115.320 115.700 -0.104 0.000 2.511 67 S HA 0.268 4.739 4.470 0.001 0.000 0.214 67 S C 0.718 175.270 174.600 -0.080 0.000 0.997 67 S CA -0.349 57.792 58.200 -0.099 0.000 0.908 67 S CB 0.431 63.573 63.200 -0.098 0.000 0.803 67 S HN 0.210 nan 8.310 nan 0.000 0.504 68 A N 3.610 126.390 122.820 -0.067 0.000 2.522 68 A HA 0.460 4.780 4.320 0.001 0.000 0.256 68 A C -0.936 176.621 177.584 -0.046 0.000 1.086 68 A CA -1.184 50.828 52.037 -0.042 0.000 0.763 68 A CB -0.146 18.842 19.000 -0.019 0.000 1.024 68 A HN 0.226 nan 8.150 nan 0.000 0.502 69 P HA -0.221 nan 4.420 nan 0.000 0.216 69 P C 0.753 178.034 177.300 -0.032 0.000 1.157 69 P CA 1.917 64.991 63.100 -0.043 0.000 0.880 69 P CB 0.052 31.735 31.700 -0.029 0.000 0.791 70 D N -2.198 118.206 120.400 0.006 0.000 2.328 70 D HA 0.089 4.730 4.640 0.001 0.000 0.226 70 D C 1.368 177.732 176.300 0.107 0.000 1.066 70 D CA 0.550 54.582 54.000 0.054 0.000 0.861 70 D CB -0.953 39.895 40.800 0.079 0.000 0.912 70 D HN 0.280 nan 8.370 nan 0.000 0.521 71 G N -0.197 108.625 108.800 0.036 0.000 2.179 71 G HA2 -0.270 3.691 3.960 0.001 0.000 0.260 71 G HA3 -0.270 3.691 3.960 0.001 0.000 0.260 71 G C 0.151 175.157 174.900 0.177 0.000 0.977 71 G CA 0.492 45.632 45.100 0.065 0.000 0.641 71 G HN 0.272 nan 8.290 nan 0.000 0.533 72 M N 1.398 121.081 119.600 0.138 0.000 2.367 72 M HA 0.455 4.936 4.480 0.001 0.000 0.339 72 M C -2.051 174.277 176.300 0.047 0.000 1.177 72 M CA -3.053 52.322 55.300 0.124 0.000 1.068 72 M CB 0.912 33.596 32.600 0.141 0.000 1.602 72 M HN 0.013 nan 8.290 nan 0.000 0.457 73 P HA 0.159 nan 4.420 nan 0.000 0.277 73 P C -1.113 176.260 177.300 0.121 0.000 1.240 73 P CA -0.332 62.770 63.100 0.003 0.000 0.798 73 P CB 0.382 32.028 31.700 -0.090 0.000 0.979 74 Q N 1.418 121.274 119.800 0.092 0.000 2.641 74 Q HA 0.330 4.671 4.340 0.001 0.000 0.225 74 Q C -1.008 175.125 176.000 0.220 0.000 1.309 74 Q CA 0.328 56.202 55.803 0.118 0.000 0.935 74 Q CB -0.624 28.144 28.738 0.050 0.000 1.557 74 Q HN 0.392 nan 8.270 nan 0.000 0.563 75 F N 0.891 120.894 119.950 0.088 0.000 2.670 75 F HA 0.228 4.756 4.527 0.001 0.000 0.332 75 F C -0.538 175.411 175.800 0.248 0.000 1.179 75 F CA -0.558 57.514 58.000 0.119 0.000 1.076 75 F CB 1.314 40.396 39.000 0.136 0.000 1.322 75 F HN 0.224 nan 8.300 nan 0.000 0.515 76 T N 0.547 114.926 114.554 -0.292 0.000 2.937 76 T HA 0.335 4.686 4.350 0.001 0.000 0.283 76 T C 0.784 174.990 174.700 -0.822 0.000 1.012 76 T CA -0.308 61.587 62.100 -0.343 0.000 0.997 76 T CB 1.762 70.434 68.868 -0.327 0.000 1.136 76 T HN 0.798 nan 8.240 nan 0.000 0.551 77 E N -0.020 119.390 120.200 -1.318 0.000 2.150 77 E HA -0.055 4.296 4.350 0.001 0.000 0.193 77 E C 2.226 178.399 176.600 -0.712 0.000 0.985 77 E CA 1.014 56.608 56.400 -1.344 0.000 0.814 77 E CB -0.499 28.222 29.700 -1.631 0.000 0.752 77 E HN 0.756 nan 8.360 nan 0.000 0.466 78 A N 1.215 123.693 122.820 -0.571 0.000 1.930 78 A HA -0.199 4.121 4.320 0.001 0.000 0.217 78 A C 1.769 179.105 177.584 -0.414 0.000 1.175 78 A CA 1.700 53.497 52.037 -0.400 0.000 0.627 78 A CB -0.391 18.417 19.000 -0.320 0.000 0.815 78 A HN 0.241 nan 8.150 nan 0.000 0.443 79 D N -0.366 119.690 120.400 -0.573 0.000 2.117 79 D HA -0.133 4.508 4.640 0.001 0.000 0.197 79 D C 1.841 177.816 176.300 -0.543 0.000 0.987 79 D CA 1.258 54.864 54.000 -0.657 0.000 0.829 79 D CB -0.389 39.797 40.800 -1.023 0.000 0.961 79 D HN 0.350 nan 8.370 nan 0.000 0.460 80 L N 1.106 121.975 121.223 -0.590 0.000 2.046 80 L HA -0.084 4.257 4.340 0.001 0.000 0.208 80 L C 2.169 179.027 176.870 -0.020 0.000 1.077 80 L CA 1.752 56.504 54.840 -0.147 0.000 0.747 80 L CB -0.810 41.129 42.059 -0.200 0.000 0.896 80 L HN -0.034 nan 8.230 nan 0.000 0.432 81 A N -0.483 122.266 122.820 -0.117 0.000 1.940 81 A HA -0.264 4.057 4.320 0.001 0.000 0.219 81 A C 2.544 180.161 177.584 0.055 0.000 1.176 81 A CA 1.893 53.927 52.037 -0.005 0.000 0.631 81 A CB -0.662 18.287 19.000 -0.086 0.000 0.814 81 A HN 0.518 nan 8.150 nan 0.000 0.446 82 R N -0.330 120.143 120.500 -0.045 0.000 2.070 82 R HA -0.191 4.150 4.340 0.001 0.000 0.233 82 R C 2.274 178.648 176.300 0.123 0.000 1.137 82 R CA 1.816 57.898 56.100 -0.029 0.000 0.945 82 R CB -0.394 29.769 30.300 -0.229 0.000 0.845 82 R HN 0.723 nan 8.270 nan 0.000 0.430 83 E N -0.726 119.578 120.200 0.173 0.000 2.086 83 E HA -0.298 4.052 4.350 0.001 0.000 0.200 83 E C 1.814 178.622 176.600 0.345 0.000 1.012 83 E CA 1.843 58.444 56.400 0.335 0.000 0.812 83 E CB -0.311 29.627 29.700 0.396 0.000 0.743 83 E HN 0.442 nan 8.360 nan 0.000 0.453 84 Y N 0.488 120.946 120.300 0.263 0.000 2.133 84 Y HA -0.143 4.407 4.550 0.001 0.000 0.287 84 Y C 2.166 178.166 175.900 0.166 0.000 1.134 84 Y CA 1.718 59.967 58.100 0.249 0.000 1.133 84 Y CB -0.761 37.864 38.460 0.275 0.000 0.987 84 Y HN 0.153 nan 8.280 nan 0.000 0.502 85 A N 0.054 122.950 122.820 0.128 0.000 1.917 85 A HA -0.235 4.086 4.320 0.001 0.000 0.219 85 A C 1.832 179.448 177.584 0.054 0.000 1.182 85 A CA 2.350 54.427 52.037 0.067 0.000 0.633 85 A CB -0.809 18.252 19.000 0.103 0.000 0.819 85 A HN 0.556 nan 8.150 nan 0.000 0.448 86 D N -1.786 118.678 120.400 0.107 0.000 2.271 86 D HA 0.112 4.752 4.640 0.001 0.000 0.206 86 D C 1.647 178.014 176.300 0.112 0.000 0.967 86 D CA 1.066 55.148 54.000 0.137 0.000 0.867 86 D CB 0.091 41.024 40.800 0.222 0.000 0.960 86 D HN 0.509 nan 8.370 nan 0.000 0.509 87 M N -1.845 117.791 119.600 0.059 0.000 2.211 87 M HA 0.234 4.715 4.480 0.001 0.000 0.338 87 M C 0.708 176.838 176.300 -0.284 0.000 0.893 87 M CA 0.189 55.501 55.300 0.020 0.000 1.096 87 M CB 2.197 34.874 32.600 0.128 0.000 1.923 87 M HN -0.022 nan 8.290 nan 0.000 0.656 88 G N 3.012 111.468 108.800 -0.573 0.000 2.273 88 G HA2 -0.241 3.720 3.960 0.001 0.000 0.280 88 G HA3 -0.241 3.720 3.960 0.001 0.000 0.280 88 G C 0.124 174.763 174.900 -0.436 0.000 1.047 88 G CA 0.521 44.923 45.100 -1.163 0.000 0.869 88 G HN 0.515 nan 8.290 nan 0.000 0.502 89 T N -1.774 112.777 114.554 -0.004 0.000 2.860 89 T HA 0.496 4.847 4.350 0.001 0.000 0.299 89 T C 0.978 175.622 174.700 -0.092 0.000 1.045 89 T CA 0.201 62.397 62.100 0.160 0.000 1.071 89 T CB 1.562 70.696 68.868 0.443 0.000 0.985 89 T HN 0.807 nan 8.240 nan 0.000 0.537 90 N N -0.555 118.145 118.700 -0.001 0.000 2.184 90 N HA 0.178 4.919 4.740 0.001 0.000 0.234 90 N C -0.932 174.716 175.510 0.229 0.000 1.282 90 N CA -0.584 52.360 53.050 -0.177 0.000 0.877 90 N CB 0.235 38.762 38.487 0.066 0.000 1.184 90 N HN 0.572 nan 8.380 nan 0.000 0.510 91 F N 0.337 120.470 119.950 0.304 0.000 2.608 91 F HA 0.687 5.215 4.527 0.001 0.000 0.309 91 F C -1.774 174.257 175.800 0.385 0.000 1.103 91 F CA -1.184 57.005 58.000 0.314 0.000 0.954 91 F CB 1.897 40.999 39.000 0.170 0.000 1.267 91 F HN -0.170 nan 8.300 nan 0.000 0.444 92 V N 6.027 125.619 119.914 -0.538 0.000 2.760 92 V HA 0.570 4.690 4.120 0.001 0.000 0.309 92 V C -1.276 174.226 176.094 -0.986 0.000 1.077 92 V CA -0.777 61.136 62.300 -0.646 0.000 0.910 92 V CB 2.023 33.450 31.823 -0.660 0.000 1.008 92 V HN 0.854 nan 8.190 nan 0.000 0.424 93 R N 5.140 125.270 120.500 -0.615 0.000 2.205 93 R HA 0.373 4.714 4.340 0.001 0.000 0.342 93 R C -1.440 174.797 176.300 -0.106 0.000 1.058 93 R CA -0.348 55.601 56.100 -0.253 0.000 0.904 93 R CB 0.492 30.785 30.300 -0.011 0.000 1.089 93 R HN 0.632 nan 8.270 nan 0.000 0.471 94 F N 5.822 125.642 119.950 -0.217 0.000 2.385 94 F HA 0.315 4.843 4.527 0.001 0.000 0.360 94 F C -0.851 174.911 175.800 -0.064 0.000 1.122 94 F CA -0.977 56.905 58.000 -0.197 0.000 1.090 94 F CB 0.716 39.545 39.000 -0.284 0.000 1.150 94 F HN 0.383 nan 8.300 nan 0.000 0.472 95 L N 7.925 128.864 121.223 -0.473 0.000 2.433 95 L HA 0.246 4.587 4.340 0.001 0.000 0.275 95 L C 0.267 177.016 176.870 -0.200 0.000 1.128 95 L CA 0.327 55.022 54.840 -0.242 0.000 0.875 95 L CB -0.050 41.816 42.059 -0.322 0.000 1.171 95 L HN 0.505 nan 8.230 nan 0.000 0.463 96 I N 0.015 120.611 120.570 0.043 0.000 3.217 96 I HA 0.920 5.090 4.170 0.001 0.000 0.308 96 I C -0.186 175.980 176.117 0.082 0.000 1.091 96 I CA -0.660 60.723 61.300 0.138 0.000 1.013 96 I CB 2.251 40.344 38.000 0.156 0.000 1.250 96 I HN 0.540 nan 8.210 nan 0.000 0.496 97 S N 0.496 116.227 115.700 0.052 0.000 2.540 97 S HA 0.231 4.702 4.470 0.001 0.000 0.275 97 S C -0.284 174.301 174.600 -0.024 0.000 1.123 97 S CA -0.749 57.440 58.200 -0.019 0.000 0.907 97 S CB 1.444 64.592 63.200 -0.086 0.000 1.081 97 S HN 0.982 nan 8.310 nan 0.000 0.476 98 W N 3.880 125.047 121.300 -0.222 0.000 2.338 98 W HA -0.162 4.498 4.660 0.001 0.000 0.304 98 W C 2.165 178.576 176.519 -0.181 0.000 1.212 98 W CA 1.697 58.912 57.345 -0.217 0.000 1.264 98 W CB -0.580 28.763 29.460 -0.196 0.000 1.142 98 W HN 0.947 nan 8.180 nan 0.000 0.512 99 R N -0.193 120.182 120.500 -0.207 0.000 2.127 99 R HA -0.091 4.250 4.340 0.001 0.000 0.238 99 R C 2.010 178.159 176.300 -0.253 0.000 1.134 99 R CA 2.212 58.117 56.100 -0.325 0.000 0.975 99 R CB -1.383 28.714 30.300 -0.339 0.000 0.865 99 R HN -0.023 nan 8.270 nan 0.000 0.447 100 S N -0.007 115.485 115.700 -0.346 0.000 2.406 100 S HA 0.071 4.542 4.470 0.001 0.000 0.224 100 S C 1.872 176.222 174.600 -0.417 0.000 1.030 100 S CA 0.733 58.544 58.200 -0.648 0.000 0.958 100 S CB 0.016 62.346 63.200 -1.451 0.000 0.811 100 S HN 0.137 nan 8.310 nan 0.000 0.489 101 V N 1.099 120.950 119.914 -0.105 0.000 2.307 101 V HA -0.034 4.086 4.120 0.001 0.000 0.245 101 V C 1.293 177.579 176.094 0.320 0.000 1.045 101 V CA 1.316 63.745 62.300 0.215 0.000 1.024 101 V CB -0.213 31.726 31.823 0.194 0.000 0.651 101 V HN 0.432 nan 8.190 nan 0.000 0.449 102 E N -0.400 119.984 120.200 0.306 0.000 3.568 102 E HA 0.204 4.555 4.350 0.001 0.000 0.213 102 E C -2.106 174.649 176.600 0.259 0.000 1.197 102 E CA -1.587 55.040 56.400 0.378 0.000 1.126 102 E CB 1.346 31.452 29.700 0.677 0.000 1.285 102 E HN 0.345 nan 8.360 nan 0.000 0.418 103 P HA -0.032 nan 4.420 nan 0.000 0.223 103 P C -0.263 177.146 177.300 0.181 0.000 1.151 103 P CA 0.611 63.772 63.100 0.101 0.000 0.787 103 P CB 0.407 32.113 31.700 0.011 0.000 0.788 104 A N -1.280 121.541 122.820 0.001 0.000 2.515 104 A HA 0.646 4.967 4.320 0.001 0.000 0.296 104 A C -2.866 174.263 177.584 -0.758 0.000 1.094 104 A CA -2.146 49.634 52.037 -0.430 0.000 0.718 104 A CB 0.553 19.373 19.000 -0.299 0.000 1.307 104 A HN -0.243 nan 8.150 nan 0.000 0.408 105 P HA 0.259 nan 4.420 nan 0.000 0.261 105 P C 0.868 177.916 177.300 -0.420 0.000 1.203 105 P CA 1.938 64.308 63.100 -1.216 0.000 0.767 105 P CB 0.373 31.330 31.700 -1.238 0.000 0.785 106 G N 1.871 110.537 108.800 -0.223 0.000 2.141 106 G HA2 -0.172 3.789 3.960 0.001 0.000 0.242 106 G HA3 -0.172 3.789 3.960 0.001 0.000 0.242 106 G C -0.203 174.349 174.900 -0.580 0.000 0.982 106 G CA -0.198 44.718 45.100 -0.307 0.000 0.662 106 G HN 0.527 nan 8.290 nan 0.000 0.527 107 V N 1.033 120.585 119.914 -0.604 0.000 2.447 107 V HA 0.558 4.679 4.120 0.001 0.000 0.292 107 V C -0.587 175.287 176.094 -0.366 0.000 1.021 107 V CA -1.222 60.827 62.300 -0.419 0.000 0.850 107 V CB 0.976 32.662 31.823 -0.228 0.000 1.005 107 V HN 0.259 nan 8.190 nan 0.000 0.426 108 Y N 1.730 122.073 120.300 0.071 0.000 2.323 108 Y HA 0.491 5.042 4.550 0.001 0.000 0.331 108 Y C 0.449 176.399 175.900 0.084 0.000 1.092 108 Y CA -1.390 56.768 58.100 0.097 0.000 1.150 108 Y CB 0.922 39.444 38.460 0.103 0.000 1.200 108 Y HN 0.571 nan 8.280 nan 0.000 0.472 109 D N 2.717 123.273 120.400 0.260 0.000 2.422 109 D HA 0.063 4.703 4.640 0.001 0.000 0.227 109 D C 0.523 176.948 176.300 0.209 0.000 1.190 109 D CA -0.042 54.073 54.000 0.192 0.000 0.905 109 D CB 0.808 41.707 40.800 0.166 0.000 1.034 109 D HN 0.500 nan 8.370 nan 0.000 0.507 110 Q N 2.389 122.276 119.800 0.146 0.000 2.297 110 Q HA -0.100 4.240 4.340 0.001 0.000 0.204 110 Q C 1.442 177.487 176.000 0.076 0.000 0.962 110 Q CA 0.931 56.793 55.803 0.099 0.000 0.879 110 Q CB 0.154 28.931 28.738 0.066 0.000 0.947 110 Q HN 0.699 nan 8.270 nan 0.000 0.462 111 Q N -0.708 119.149 119.800 0.094 0.000 2.123 111 Q HA -0.156 4.184 4.340 0.001 0.000 0.199 111 Q C 1.763 177.834 176.000 0.118 0.000 0.966 111 Q CA 1.056 56.908 55.803 0.083 0.000 0.845 111 Q CB -0.201 28.584 28.738 0.077 0.000 0.907 111 Q HN 0.359 nan 8.270 nan 0.000 0.439 112 Y N 1.558 121.887 120.300 0.049 0.000 2.145 112 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 112 Y C 1.754 177.701 175.900 0.078 0.000 1.145 112 Y CA 1.323 59.457 58.100 0.058 0.000 1.148 112 Y CB -0.279 38.217 38.460 0.060 0.000 0.981 112 Y HN -0.010 nan 8.280 nan 0.000 0.507 113 L N -0.094 121.084 121.223 -0.075 0.000 2.131 113 L HA -0.225 4.116 4.340 0.001 0.000 0.210 113 L C 2.102 178.910 176.870 -0.103 0.000 1.092 113 L CA 1.402 56.173 54.840 -0.116 0.000 0.759 113 L CB -0.679 41.383 42.059 0.006 0.000 0.903 113 L HN 0.200 nan 8.230 nan 0.000 0.435 114 D N 0.241 120.598 120.400 -0.072 0.000 2.104 114 D HA -0.167 4.474 4.640 0.001 0.000 0.194 114 D C 2.344 178.597 176.300 -0.078 0.000 0.994 114 D CA 1.183 55.144 54.000 -0.064 0.000 0.830 114 D CB -0.148 40.637 40.800 -0.026 0.000 0.959 114 D HN 0.285 nan 8.370 nan 0.000 0.452 115 R N 0.415 120.860 120.500 -0.090 0.000 2.081 115 R HA -0.076 4.264 4.340 0.001 0.000 0.235 115 R C 2.455 178.647 176.300 -0.179 0.000 1.131 115 R CA 0.744 56.784 56.100 -0.101 0.000 0.960 115 R CB -0.472 29.810 30.300 -0.030 0.000 0.856 115 R HN 0.117 nan 8.270 nan 0.000 0.436 116 V N 1.151 120.918 119.914 -0.244 0.000 2.343 116 V HA -0.248 3.873 4.120 0.001 0.000 0.247 116 V C 2.313 178.314 176.094 -0.155 0.000 1.051 116 V CA 1.967 64.129 62.300 -0.231 0.000 1.036 116 V CB -0.526 31.155 31.823 -0.236 0.000 0.654 116 V HN 0.399 nan 8.190 nan 0.000 0.451 117 E N 0.170 120.397 120.200 0.045 0.000 2.106 117 E HA -0.297 4.054 4.350 0.001 0.000 0.192 117 E C 1.940 178.493 176.600 -0.078 0.000 0.984 117 E CA 1.540 58.003 56.400 0.105 0.000 0.806 117 E CB -0.110 29.571 29.700 -0.032 0.000 0.750 117 E HN 0.727 nan 8.360 nan 0.000 0.458 118 D N -0.206 120.100 120.400 -0.156 0.000 2.104 118 D HA -0.188 4.453 4.640 0.001 0.000 0.194 118 D C 2.015 177.961 176.300 -0.589 0.000 0.994 118 D CA 1.282 55.150 54.000 -0.221 0.000 0.830 118 D CB 0.115 40.830 40.800 -0.143 0.000 0.959 118 D HN -0.036 nan 8.370 nan 0.000 0.452 119 R N -0.162 119.852 120.500 -0.811 0.000 2.081 119 R HA -0.031 4.310 4.340 0.001 0.000 0.235 119 R C 2.429 178.359 176.300 -0.616 0.000 1.131 119 R CA 0.780 56.147 56.100 -1.221 0.000 0.960 119 R CB -0.934 28.826 30.300 -0.900 0.000 0.856 119 R HN 0.158 nan 8.270 nan 0.000 0.436 120 V N 0.029 119.694 119.914 -0.416 0.000 2.469 120 V HA -0.205 3.916 4.120 0.001 0.000 0.251 120 V C 2.245 178.353 176.094 0.023 0.000 1.064 120 V CA 2.105 64.321 62.300 -0.141 0.000 1.066 120 V CB -1.133 30.631 31.823 -0.100 0.000 0.667 120 V HN 0.559 nan 8.190 nan 0.000 0.461 121 G N -0.918 107.858 108.800 -0.039 0.000 2.442 121 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 121 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 121 G C 1.206 176.223 174.900 0.194 0.000 1.141 121 G CA 0.830 45.975 45.100 0.074 0.000 0.763 121 G HN 0.527 nan 8.290 nan 0.000 0.554 122 W N 0.299 121.569 121.300 -0.050 0.000 2.355 122 W HA 0.035 4.696 4.660 0.001 0.000 0.309 122 W C 2.340 178.746 176.519 -0.188 0.000 1.206 122 W CA 0.382 57.633 57.345 -0.157 0.000 1.284 122 W CB -1.569 27.722 29.460 -0.282 0.000 1.145 122 W HN 0.266 nan 8.180 nan 0.000 0.502 123 Y N 0.606 120.994 120.300 0.146 0.000 2.097 123 Y HA -0.197 4.354 4.550 0.001 0.000 0.282 123 Y C 2.738 178.748 175.900 0.184 0.000 1.152 123 Y CA 2.258 60.380 58.100 0.036 0.000 1.136 123 Y CB -1.540 36.889 38.460 -0.052 0.000 0.975 123 Y HN -0.078 nan 8.280 nan 0.000 0.498 124 A N 0.034 123.026 122.820 0.286 0.000 1.892 124 A HA -0.316 4.005 4.320 0.001 0.000 0.218 124 A C 2.173 179.851 177.584 0.158 0.000 1.188 124 A CA 2.091 54.252 52.037 0.206 0.000 0.631 124 A CB -0.908 18.184 19.000 0.153 0.000 0.822 124 A HN 0.569 nan 8.150 nan 0.000 0.447 125 E N -0.496 119.783 120.200 0.131 0.000 2.265 125 E HA -0.150 4.201 4.350 0.001 0.000 0.196 125 E C 1.357 177.982 176.600 0.042 0.000 0.996 125 E CA 0.780 57.225 56.400 0.076 0.000 0.832 125 E CB -0.007 29.730 29.700 0.061 0.000 0.756 125 E HN 0.607 nan 8.360 nan 0.000 0.491 126 R N -1.245 119.303 120.500 0.080 0.000 2.546 126 R HA 0.184 4.525 4.340 0.001 0.000 0.320 126 R C 0.698 176.997 176.300 -0.001 0.000 1.021 126 R CA 0.430 56.515 56.100 -0.025 0.000 1.088 126 R CB 1.066 31.342 30.300 -0.040 0.000 1.278 126 R HN 0.205 nan 8.270 nan 0.000 0.557 127 G N 0.656 109.516 108.800 0.100 0.000 2.143 127 G HA2 -0.318 3.643 3.960 0.001 0.000 0.249 127 G HA3 -0.318 3.643 3.960 0.001 0.000 0.249 127 G C -0.225 174.735 174.900 0.100 0.000 0.981 127 G CA -0.148 44.986 45.100 0.058 0.000 0.665 127 G HN 0.273 nan 8.290 nan 0.000 0.528 128 Y N 0.719 121.110 120.300 0.152 0.000 2.336 128 Y HA 0.530 5.080 4.550 0.001 0.000 0.331 128 Y C 1.060 177.072 175.900 0.186 0.000 1.211 128 Y CA -0.185 58.052 58.100 0.229 0.000 1.346 128 Y CB 0.742 39.422 38.460 0.367 0.000 1.271 128 Y HN -0.091 nan 8.280 nan 0.000 0.538 129 K N 1.929 122.539 120.400 0.349 0.000 2.130 129 K HA 0.539 4.859 4.320 0.001 0.000 0.268 129 K C -1.108 175.665 176.600 0.288 0.000 0.983 129 K CA -0.671 55.796 56.287 0.301 0.000 0.893 129 K CB 1.773 34.438 32.500 0.275 0.000 1.066 129 K HN 0.358 nan 8.250 nan 0.000 0.450 130 V N 3.512 123.509 119.914 0.138 0.000 2.487 130 V HA 0.399 4.520 4.120 0.001 0.000 0.298 130 V C -0.167 175.944 176.094 0.029 0.000 1.028 130 V CA -0.855 61.406 62.300 -0.066 0.000 0.860 130 V CB 1.667 33.388 31.823 -0.170 0.000 0.991 130 V HN 0.741 nan 8.190 nan 0.000 0.427 131 M N 6.384 125.968 119.600 -0.027 0.000 2.149 131 M HA 0.583 5.063 4.480 0.001 0.000 0.342 131 M C -1.553 174.821 176.300 0.124 0.000 1.068 131 M CA -0.466 54.908 55.300 0.122 0.000 0.991 131 M CB 1.019 33.781 32.600 0.270 0.000 1.596 131 M HN 0.527 nan 8.290 nan 0.000 0.439 132 L N 4.267 125.641 121.223 0.252 0.000 2.290 132 L HA 0.355 4.696 4.340 0.001 0.000 0.284 132 L C -0.505 176.639 176.870 0.457 0.000 1.078 132 L CA -0.484 54.546 54.840 0.316 0.000 0.815 132 L CB 0.967 43.211 42.059 0.309 0.000 1.162 132 L HN 0.674 nan 8.230 nan 0.000 0.435 133 D N 4.291 124.901 120.400 0.350 0.000 2.414 133 D HA 0.234 4.875 4.640 0.001 0.000 0.232 133 D C -0.367 176.133 176.300 0.333 0.000 1.070 133 D CA -0.590 53.649 54.000 0.398 0.000 0.839 133 D CB 1.384 42.402 40.800 0.364 0.000 1.079 133 D HN 0.261 nan 8.370 nan 0.000 0.521 134 M N 4.488 124.317 119.600 0.382 0.000 2.685 134 M HA 0.173 4.653 4.480 0.001 0.000 0.316 134 M C -1.107 175.345 176.300 0.254 0.000 1.523 134 M CA -0.034 55.369 55.300 0.171 0.000 1.472 134 M CB -0.493 32.129 32.600 0.035 0.000 1.525 134 M HN 0.417 nan 8.290 nan 0.000 0.471 135 H N 2.951 122.100 119.070 0.132 0.000 2.548 135 H HA 0.551 5.108 4.556 0.001 0.000 0.331 135 H C -0.748 174.633 175.328 0.088 0.000 1.093 135 H CA 0.017 56.147 56.048 0.138 0.000 1.367 135 H CB 0.691 30.518 29.762 0.110 0.000 1.455 135 H HN 0.677 nan 8.280 nan 0.000 0.519 136 Q N 2.591 122.312 119.800 -0.133 0.000 2.416 136 Q HA 0.448 4.789 4.340 0.001 0.000 0.281 136 Q C -1.832 174.135 176.000 -0.054 0.000 1.067 136 Q CA -0.960 54.821 55.803 -0.037 0.000 0.809 136 Q CB 2.152 30.864 28.738 -0.044 0.000 1.418 136 Q HN 0.518 nan 8.270 nan 0.000 0.411 137 D N 1.204 121.625 120.400 0.036 0.000 2.780 137 D HA 0.347 4.988 4.640 0.001 0.000 0.242 137 D C -0.344 175.949 176.300 -0.011 0.000 1.135 137 D CA -0.631 53.429 54.000 0.100 0.000 0.859 137 D CB 2.317 43.116 40.800 -0.001 0.000 1.530 137 D HN 0.599 nan 8.370 nan 0.000 0.493 138 V N 2.356 122.175 119.914 -0.158 0.000 4.935 138 V HA -0.389 3.732 4.120 0.001 0.000 0.273 138 V C 0.795 176.887 176.094 -0.003 0.000 0.517 138 V CA 1.527 63.572 62.300 -0.424 0.000 0.745 138 V CB -2.934 28.649 31.823 -0.400 0.000 0.647 138 V HN 0.954 nan 8.190 nan 0.000 1.220 139 Y N -1.405 118.865 120.300 -0.049 0.000 2.740 139 Y HA -0.408 4.142 4.550 0.001 0.000 0.482 139 Y C 0.867 176.594 175.900 -0.288 0.000 1.156 139 Y CA 2.833 60.700 58.100 -0.388 0.000 2.839 139 Y CB -1.082 36.855 38.460 -0.872 0.000 0.979 139 Y HN 1.338 nan 8.280 nan 0.000 0.561 140 S N -1.194 114.366 115.700 -0.232 0.000 2.558 140 S HA 0.511 4.982 4.470 0.001 0.000 0.277 140 S C 0.489 174.968 174.600 -0.202 0.000 1.143 140 S CA -0.115 57.916 58.200 -0.281 0.000 0.865 140 S CB 0.902 63.928 63.200 -0.290 0.000 1.102 140 S HN 1.026 nan 8.310 nan 0.000 0.454 141 G N 1.648 110.321 108.800 -0.211 0.000 2.470 141 G HA2 0.061 4.022 3.960 0.001 0.000 0.220 141 G HA3 0.061 4.022 3.960 0.001 0.000 0.220 141 G C 1.218 176.012 174.900 -0.177 0.000 1.121 141 G CA 0.824 45.810 45.100 -0.190 0.000 0.766 141 G HN 1.170 nan 8.290 nan 0.000 0.553 142 A N 0.867 123.577 122.820 -0.183 0.000 2.255 142 A HA 0.241 4.562 4.320 0.001 0.000 0.206 142 A C 2.111 179.615 177.584 -0.133 0.000 1.193 142 A CA 0.746 52.685 52.037 -0.164 0.000 0.794 142 A CB -0.518 18.363 19.000 -0.199 0.000 0.794 142 A HN 0.692 nan 8.150 nan 0.000 0.481 143 I N -2.866 117.627 120.570 -0.128 0.000 3.059 143 I HA 0.098 4.269 4.170 0.001 0.000 0.270 143 I C 0.775 176.834 176.117 -0.097 0.000 1.238 143 I CA 0.949 62.189 61.300 -0.101 0.000 1.478 143 I CB -0.326 37.616 38.000 -0.095 0.000 1.097 143 I HN 0.248 nan 8.210 nan 0.000 0.455 144 T N -0.848 113.634 114.554 -0.121 0.000 2.883 144 T HA 0.647 4.998 4.350 0.001 0.000 0.296 144 T C -2.392 172.255 174.700 -0.088 0.000 1.117 144 T CA -1.244 60.799 62.100 -0.094 0.000 1.006 144 T CB 1.519 70.317 68.868 -0.117 0.000 1.191 144 T HN 0.013 nan 8.240 nan 0.000 0.508 153 A N 0.186 122.895 122.820 -0.185 0.000 2.483 153 A HA 0.754 5.075 4.320 0.001 0.000 0.238 153 A C 0.811 178.306 177.584 -0.149 0.000 1.070 153 A CA 0.945 52.889 52.037 -0.155 0.000 0.770 153 A CB 0.503 19.424 19.000 -0.132 0.000 1.008 153 A HN 1.768 nan 8.150 nan 0.000 0.497 154 G N -1.834 106.881 108.800 -0.141 0.000 2.387 154 G HA2 0.603 4.564 3.960 0.001 0.000 0.294 154 G HA3 0.603 4.564 3.960 0.001 0.000 0.294 154 G C 0.171 174.981 174.900 -0.150 0.000 1.509 154 G CA 0.027 45.039 45.100 -0.146 0.000 0.806 154 G HN 1.453 nan 8.290 nan 0.000 0.546 155 A N -0.377 122.350 122.820 -0.155 0.000 2.021 155 A HA 0.408 4.729 4.320 0.001 0.000 0.216 155 A C 1.694 179.138 177.584 -0.234 0.000 1.163 155 A CA 1.411 53.347 52.037 -0.168 0.000 0.676 155 A CB -0.258 18.657 19.000 -0.143 0.000 0.818 155 A HN 0.575 nan 8.150 nan 0.000 0.453 156 I N -1.066 119.353 120.570 -0.251 0.000 5.146 156 I HA 0.194 4.365 4.170 0.001 0.000 0.233 156 I C 1.552 177.488 176.117 -0.300 0.000 0.965 156 I CA 0.197 61.297 61.300 -0.332 0.000 1.750 156 I CB -1.130 36.709 38.000 -0.268 0.000 1.492 156 I HN 0.263 nan 8.210 nan 0.000 0.465 157 G N 2.201 110.846 108.800 -0.259 0.000 2.353 157 G HA2 0.245 4.206 3.960 0.001 0.000 0.239 157 G HA3 0.245 4.206 3.960 0.001 0.000 0.239 157 G C -0.665 174.121 174.900 -0.189 0.000 1.295 157 G CA 0.157 45.128 45.100 -0.216 0.000 0.884 157 G HN 0.772 nan 8.290 nan 0.000 0.537 158 N N 0.412 119.015 118.700 -0.162 0.000 2.815 158 N HA 0.611 5.352 4.740 0.001 0.000 0.253 158 N C 0.294 175.715 175.510 -0.149 0.000 1.202 158 N CA -0.039 52.923 53.050 -0.145 0.000 0.925 158 N CB 1.297 39.728 38.487 -0.093 0.000 1.622 158 N HN 1.175 nan 8.380 nan 0.000 0.497 159 G N 0.169 108.860 108.800 -0.180 0.000 2.483 159 G HA2 0.235 4.196 3.960 0.001 0.000 0.196 159 G HA3 0.235 4.196 3.960 0.001 0.000 0.196 159 G C -0.116 174.631 174.900 -0.256 0.000 2.335 159 G CA 0.146 45.152 45.100 -0.158 0.000 1.576 159 G HN 1.265 nan 8.290 nan 0.000 0.499 160 A N 3.275 125.806 122.820 -0.482 0.000 2.425 160 A HA 0.660 4.981 4.320 0.001 0.000 0.242 160 A C -1.644 175.466 177.584 -0.790 0.000 1.077 160 A CA -0.005 51.595 52.037 -0.728 0.000 0.781 160 A CB -0.037 18.259 19.000 -1.174 0.000 1.020 160 A HN 0.435 nan 8.150 nan 0.000 0.494 161 P HA 0.263 nan 4.420 nan 0.000 0.276 161 P C 0.761 177.534 177.300 -0.878 0.000 1.252 161 P CA 0.383 62.923 63.100 -0.934 0.000 0.802 161 P CB 0.916 31.944 31.700 -1.120 0.000 1.035 162 A N 2.613 125.105 122.820 -0.547 0.000 1.892 162 A HA -0.181 4.140 4.320 0.001 0.000 0.218 162 A C 2.035 179.348 177.584 -0.451 0.000 1.188 162 A CA 1.993 53.793 52.037 -0.395 0.000 0.631 162 A CB -2.006 16.861 19.000 -0.222 0.000 0.822 162 A HN 0.835 nan 8.150 nan 0.000 0.447 163 W N -1.118 119.959 121.300 -0.371 0.000 2.421 163 W HA 0.104 4.765 4.660 0.002 0.000 0.270 163 W C 1.579 177.798 176.519 -0.501 0.000 1.233 163 W CA 0.994 58.108 57.345 -0.386 0.000 1.226 163 W CB -0.753 28.539 29.460 -0.279 0.000 1.121 163 W HN 0.412 nan 8.180 nan 0.000 0.579 164 A N 0.940 123.097 122.820 -1.106 0.000 2.275 164 A HA 0.151 4.472 4.320 0.001 0.000 0.212 164 A C 0.677 177.997 177.584 -0.439 0.000 1.201 164 A CA 0.499 52.027 52.037 -0.848 0.000 0.843 164 A CB -0.634 17.448 19.000 -1.531 0.000 0.873 164 A HN 0.073 nan 8.150 nan 0.000 0.492 165 T N 0.805 115.027 114.554 -0.554 0.000 2.762 165 T HA 0.452 4.802 4.350 0.001 0.000 0.303 165 T C -1.189 173.201 174.700 -0.517 0.000 0.977 165 T CA 0.233 62.138 62.100 -0.324 0.000 0.961 165 T CB -0.279 68.463 68.868 -0.210 0.000 0.944 165 T HN 0.248 nan 8.240 nan 0.000 0.481 166 Y N 2.815 122.992 120.300 -0.204 0.000 2.686 166 Y HA 0.354 4.904 4.550 0.001 0.000 0.331 166 Y C 1.119 176.953 175.900 -0.110 0.000 0.996 166 Y CA -0.820 57.192 58.100 -0.147 0.000 1.293 166 Y CB 0.715 39.050 38.460 -0.208 0.000 1.092 166 Y HN 0.584 nan 8.280 nan 0.000 0.524 167 M N 0.485 120.100 119.600 0.026 0.000 2.556 167 M HA 0.019 4.500 4.480 0.001 0.000 0.245 167 M C -0.078 176.258 176.300 0.061 0.000 1.128 167 M CA 0.497 55.810 55.300 0.022 0.000 1.069 167 M CB 0.222 32.818 32.600 -0.006 0.000 1.469 167 M HN 0.522 nan 8.290 nan 0.000 0.494 168 D N 1.003 121.460 120.400 0.096 0.000 2.837 168 D HA -0.178 4.463 4.640 0.001 0.000 0.230 168 D C 1.022 177.361 176.300 0.064 0.000 1.152 168 D CA 1.375 55.434 54.000 0.098 0.000 0.736 168 D CB -1.749 39.111 40.800 0.100 0.000 1.084 168 D HN 0.707 nan 8.370 nan 0.000 0.429 169 G N -1.424 107.405 108.800 0.048 0.000 2.179 169 G HA2 -0.335 3.625 3.960 0.001 0.000 0.260 169 G HA3 -0.335 3.625 3.960 0.001 0.000 0.260 169 G C 0.367 175.287 174.900 0.034 0.000 0.977 169 G CA 0.333 45.454 45.100 0.035 0.000 0.641 169 G HN 0.500 nan 8.290 nan 0.000 0.533 170 L N 2.347 123.594 121.223 0.039 0.000 2.397 170 L HA 0.382 4.723 4.340 0.001 0.000 0.271 170 L C -1.195 175.699 176.870 0.040 0.000 1.148 170 L CA -1.895 52.970 54.840 0.041 0.000 0.825 170 L CB 0.638 42.727 42.059 0.050 0.000 1.117 170 L HN -0.007 nan 8.230 nan 0.000 0.456 171 P HA 0.073 nan 4.420 nan 0.000 0.271 171 P C -0.870 176.467 177.300 0.062 0.000 1.218 171 P CA -0.171 62.955 63.100 0.045 0.000 0.780 171 P CB 1.113 32.837 31.700 0.040 0.000 0.901 172 V N 2.438 122.396 119.914 0.074 0.000 2.383 172 V HA 0.151 4.272 4.120 0.001 0.000 0.264 172 V C 0.307 176.491 176.094 0.150 0.000 1.001 172 V CA -0.537 61.838 62.300 0.125 0.000 0.828 172 V CB 0.638 32.533 31.823 0.120 0.000 1.069 172 V HN 0.464 nan 8.190 nan 0.000 0.451 173 E N 3.565 123.832 120.200 0.112 0.000 2.374 173 E HA 0.353 4.704 4.350 0.001 0.000 0.260 173 E C -2.444 174.237 176.600 0.134 0.000 1.101 173 E CA -1.991 54.467 56.400 0.096 0.000 0.907 173 E CB 0.960 30.685 29.700 0.041 0.000 1.014 173 E HN 0.295 nan 8.360 nan 0.000 0.427 174 P HA 0.034 nan 4.420 nan 0.000 0.269 174 P C -0.501 176.754 177.300 -0.075 0.000 1.209 174 P CA 0.227 63.424 63.100 0.162 0.000 0.776 174 P CB 0.579 32.358 31.700 0.131 0.000 0.876 175 Q N 2.741 122.380 119.800 -0.268 0.000 2.413 175 Q HA 0.297 4.638 4.340 0.001 0.000 0.276 175 Q C -1.599 174.307 176.000 -0.156 0.000 1.099 175 Q CA -1.840 53.752 55.803 -0.352 0.000 0.814 175 Q CB 0.874 29.169 28.738 -0.739 0.000 1.379 175 Q HN 0.289 nan 8.270 nan 0.000 0.436 176 P HA -0.065 nan 4.420 nan 0.000 0.218 176 P C -0.361 176.937 177.300 -0.003 0.000 1.149 176 P CA 1.096 64.175 63.100 -0.034 0.000 0.817 176 P CB 0.676 32.354 31.700 -0.037 0.000 0.785 177 R N -0.749 119.725 120.500 -0.044 0.000 2.686 177 R HA 0.179 4.520 4.340 0.001 0.000 0.283 177 R C 1.281 177.576 176.300 -0.008 0.000 0.978 177 R CA -0.790 55.305 56.100 -0.009 0.000 0.897 177 R CB 1.198 31.448 30.300 -0.083 0.000 1.192 177 R HN 0.125 nan 8.270 nan 0.000 0.457 178 W N 2.805 124.156 121.300 0.085 0.000 2.350 178 W HA -0.154 4.507 4.660 0.001 0.000 0.289 178 W C 0.145 176.773 176.519 0.181 0.000 1.215 178 W CA 1.192 58.668 57.345 0.219 0.000 1.236 178 W CB -0.178 29.371 29.460 0.149 0.000 1.130 178 W HN 0.613 nan 8.180 nan 0.000 0.541 179 E N 1.344 121.149 120.200 -0.660 0.000 2.204 179 E HA -0.137 4.214 4.350 0.001 0.000 0.195 179 E C 2.271 178.782 176.600 -0.149 0.000 0.990 179 E CA 1.584 57.618 56.400 -0.610 0.000 0.821 179 E CB -0.672 28.554 29.700 -0.790 0.000 0.750 179 E HN 0.307 nan 8.360 nan 0.000 0.477 180 L N -0.313 120.802 121.223 -0.180 0.000 2.275 180 L HA -0.161 4.180 4.340 0.001 0.000 0.215 180 L C 1.533 178.312 176.870 -0.153 0.000 1.119 180 L CA 0.703 55.443 54.840 -0.166 0.000 0.790 180 L CB -0.313 41.611 42.059 -0.225 0.000 0.919 180 L HN 0.227 nan 8.230 nan 0.000 0.443 181 Y N -1.584 118.709 120.300 -0.011 0.000 2.315 181 Y HA -0.284 4.267 4.550 0.001 0.000 0.288 181 Y C 2.302 178.170 175.900 -0.052 0.000 1.154 181 Y CA 1.308 59.392 58.100 -0.026 0.000 1.229 181 Y CB -0.717 37.723 38.460 -0.034 0.000 0.980 181 Y HN 0.070 nan 8.280 nan 0.000 0.540 182 Y N 0.044 120.340 120.300 -0.007 0.000 2.193 182 Y HA -0.247 4.304 4.550 0.001 0.000 0.285 182 Y C 2.121 177.976 175.900 -0.075 0.000 1.166 182 Y CA 1.753 59.702 58.100 -0.252 0.000 1.181 182 Y CB -0.585 37.441 38.460 -0.724 0.000 0.976 182 Y HN 0.238 nan 8.280 nan 0.000 0.520 183 I N -2.230 118.431 120.570 0.150 0.000 3.875 183 I HA 0.151 4.322 4.170 0.001 0.000 0.329 183 I C 0.038 176.228 176.117 0.120 0.000 1.295 183 I CA -0.230 61.169 61.300 0.164 0.000 1.129 183 I CB -0.150 37.913 38.000 0.105 0.000 1.008 183 I HN -0.135 nan 8.210 nan 0.000 0.413 184 Q N 2.083 121.953 119.800 0.117 0.000 2.327 184 Q HA 0.247 4.588 4.340 0.001 0.000 0.254 184 Q C -1.626 174.444 176.000 0.116 0.000 0.952 184 Q CA -2.020 53.842 55.803 0.098 0.000 0.884 184 Q CB 0.906 29.713 28.738 0.115 0.000 1.224 184 Q HN 0.035 nan 8.270 nan 0.000 0.422 185 P HA -0.159 nan 4.420 nan 0.000 0.216 185 P C 1.012 178.367 177.300 0.092 0.000 1.150 185 P CA 1.763 64.915 63.100 0.086 0.000 0.843 185 P CB 0.233 31.971 31.700 0.062 0.000 0.787 186 G N -0.909 107.940 108.800 0.082 0.000 2.448 186 G HA2 -0.146 3.815 3.960 0.001 0.000 0.218 186 G HA3 -0.146 3.815 3.960 0.001 0.000 0.218 186 G C 1.520 176.461 174.900 0.068 0.000 1.135 186 G CA 0.393 45.531 45.100 0.064 0.000 0.784 186 G HN 0.159 nan 8.290 nan 0.000 0.543 187 V N 1.290 121.274 119.914 0.118 0.000 2.323 187 V HA -0.112 4.009 4.120 0.001 0.000 0.244 187 V C 2.916 179.207 176.094 0.329 0.000 1.041 187 V CA 1.390 63.799 62.300 0.181 0.000 1.025 187 V CB -0.348 31.601 31.823 0.209 0.000 0.656 187 V HN 0.244 nan 8.190 nan 0.000 0.451 188 M N -0.053 119.732 119.600 0.308 0.000 2.106 188 M HA -0.209 4.271 4.480 0.001 0.000 0.259 188 M C 2.364 178.811 176.300 0.245 0.000 1.068 188 M CA 1.874 57.370 55.300 0.326 0.000 1.100 188 M CB -1.211 31.520 32.600 0.218 0.000 1.351 188 M HN 0.281 nan 8.290 nan 0.000 0.404 189 R N 0.832 121.423 120.500 0.152 0.000 2.075 189 R HA 0.010 4.351 4.340 0.001 0.000 0.232 189 R C 2.134 178.457 176.300 0.040 0.000 1.126 189 R CA 1.978 58.138 56.100 0.101 0.000 0.963 189 R CB -0.956 29.391 30.300 0.077 0.000 0.858 189 R HN 0.321 nan 8.270 nan 0.000 0.435 190 A N -0.440 122.337 122.820 -0.071 0.000 1.908 190 A HA -0.141 4.180 4.320 0.001 0.000 0.218 190 A C 2.119 179.362 177.584 -0.569 0.000 1.181 190 A CA 1.610 53.406 52.037 -0.402 0.000 0.627 190 A CB -0.810 17.818 19.000 -0.621 0.000 0.818 190 A HN 0.382 nan 8.150 nan 0.000 0.445 191 F N 0.480 120.297 119.950 -0.222 0.000 2.163 191 F HA -0.106 4.422 4.527 0.001 0.000 0.297 191 F C 2.079 177.982 175.800 0.171 0.000 1.094 191 F CA 1.659 59.660 58.000 0.002 0.000 1.290 191 F CB -0.293 38.884 39.000 0.294 0.000 1.017 191 F HN 0.197 nan 8.300 nan 0.000 0.483 192 D N -0.249 120.339 120.400 0.314 0.000 2.178 192 D HA -0.152 4.489 4.640 0.001 0.000 0.201 192 D C 1.893 178.319 176.300 0.210 0.000 0.980 192 D CA 0.879 55.037 54.000 0.262 0.000 0.842 192 D CB -0.463 40.438 40.800 0.168 0.000 0.948 192 D HN 0.211 nan 8.370 nan 0.000 0.472 193 N N 0.216 119.002 118.700 0.144 0.000 2.106 193 N HA -0.130 4.611 4.740 0.001 0.000 0.188 193 N C 1.701 177.285 175.510 0.123 0.000 1.029 193 N CA 0.345 53.484 53.050 0.148 0.000 0.848 193 N CB -0.583 37.974 38.487 0.116 0.000 1.007 193 N HN 0.177 nan 8.380 nan 0.000 0.423 194 F N 0.397 120.290 119.950 -0.095 0.000 2.091 194 F HA -0.188 4.340 4.527 0.002 0.000 0.299 194 F C 1.502 177.225 175.800 -0.129 0.000 1.103 194 F CA 1.578 59.489 58.000 -0.150 0.000 1.228 194 F CB -0.507 38.298 39.000 -0.325 0.000 0.984 194 F HN 0.066 nan 8.300 nan 0.000 0.477 195 W N 0.306 121.700 121.300 0.157 0.000 3.180 195 W HA 0.104 4.765 4.660 0.001 0.000 0.254 195 W C 0.915 177.439 176.519 0.008 0.000 1.318 195 W CA 0.358 57.736 57.345 0.054 0.000 1.608 195 W CB -0.680 28.919 29.460 0.231 0.000 1.124 195 W HN 0.093 nan 8.180 nan 0.000 0.694 196 N N -0.159 118.641 118.700 0.168 0.000 2.725 196 N HA -0.207 4.534 4.740 0.001 0.000 0.249 196 N C 0.593 176.184 175.510 0.134 0.000 1.103 196 N CA 1.512 54.638 53.050 0.126 0.000 0.707 196 N CB -1.300 37.233 38.487 0.078 0.000 1.043 196 N HN 0.038 nan 8.380 nan 0.000 0.553 197 T N -2.126 112.533 114.554 0.175 0.000 2.951 197 T HA -0.092 4.259 4.350 0.001 0.000 0.268 197 T C 1.784 176.535 174.700 0.085 0.000 1.073 197 T CA 1.736 63.913 62.100 0.129 0.000 1.134 197 T CB -0.271 68.682 68.868 0.142 0.000 0.884 197 T HN 0.652 nan 8.240 nan 0.000 0.479 198 T N -0.930 113.676 114.554 0.087 0.000 3.088 198 T HA 0.289 4.640 4.350 0.001 0.000 0.259 198 T C 1.989 176.699 174.700 0.018 0.000 1.122 198 T CA 0.848 62.980 62.100 0.053 0.000 1.095 198 T CB -0.400 68.505 68.868 0.062 0.000 0.930 198 T HN 0.466 nan 8.240 nan 0.000 0.508 199 G N 1.645 110.457 108.800 0.020 0.000 2.189 199 G HA2 -0.326 3.635 3.960 0.001 0.000 0.267 199 G HA3 -0.326 3.635 3.960 0.001 0.000 0.267 199 G C 0.874 175.735 174.900 -0.065 0.000 0.975 199 G CA 0.679 45.773 45.100 -0.009 0.000 0.644 199 G HN 0.572 nan 8.290 nan 0.000 0.537 200 K N -0.588 119.744 120.400 -0.113 0.000 2.323 200 K HA 0.103 4.424 4.320 0.001 0.000 0.197 200 K C 0.324 176.571 176.600 -0.589 0.000 1.043 200 K CA 0.465 56.550 56.287 -0.337 0.000 0.997 200 K CB 0.258 32.526 32.500 -0.387 0.000 0.807 200 K HN 0.553 nan 8.250 nan 0.000 0.497 201 H N 0.385 119.413 119.070 -0.071 0.000 2.439 201 H HA 0.136 4.693 4.556 0.001 0.000 0.228 201 H C -2.167 173.158 175.328 -0.005 0.000 1.423 201 H CA -1.516 54.493 56.048 -0.064 0.000 1.386 201 H CB 1.149 30.840 29.762 -0.118 0.000 1.641 201 H HN 0.019 nan 8.280 nan 0.000 0.508 202 P HA -0.146 nan 4.420 nan 0.000 0.225 202 P C 1.371 178.736 177.300 0.108 0.000 1.148 202 P CA 0.951 64.093 63.100 0.070 0.000 0.779 202 P CB 0.462 32.190 31.700 0.046 0.000 0.780 203 E N 0.635 120.945 120.200 0.185 0.000 2.358 203 E HA -0.080 4.271 4.350 0.001 0.000 0.195 203 E C 1.989 178.831 176.600 0.404 0.000 1.010 203 E CA 0.505 57.076 56.400 0.285 0.000 0.856 203 E CB -1.165 28.757 29.700 0.370 0.000 0.795 203 E HN 0.288 nan 8.360 nan 0.000 0.504 204 L N 0.669 122.079 121.223 0.311 0.000 2.056 204 L HA -0.101 4.240 4.340 0.001 0.000 0.207 204 L C 2.607 179.605 176.870 0.214 0.000 1.078 204 L CA 0.837 55.902 54.840 0.375 0.000 0.749 204 L CB -0.273 41.937 42.059 0.252 0.000 0.901 204 L HN -0.001 nan 8.230 nan 0.000 0.433 205 V N -0.400 119.428 119.914 -0.143 0.000 2.809 205 V HA -0.197 3.924 4.120 0.001 0.000 0.256 205 V C 2.366 178.531 176.094 0.119 0.000 1.080 205 V CA 1.393 63.591 62.300 -0.170 0.000 1.102 205 V CB -0.082 31.575 31.823 -0.276 0.000 0.705 205 V HN 0.400 nan 8.190 nan 0.000 0.475 206 E N -0.320 119.976 120.200 0.160 0.000 2.072 206 E HA -0.179 4.172 4.350 0.001 0.000 0.190 206 E C 2.207 178.942 176.600 0.225 0.000 0.982 206 E CA 1.309 57.806 56.400 0.161 0.000 0.803 206 E CB -0.257 29.508 29.700 0.108 0.000 0.755 206 E HN 0.644 nan 8.360 nan 0.000 0.453 207 H N -1.181 118.099 119.070 0.350 0.000 2.353 207 H HA -0.157 4.400 4.556 0.002 0.000 0.300 207 H C 1.833 177.421 175.328 0.434 0.000 1.090 207 H CA 1.711 58.068 56.048 0.514 0.000 1.327 207 H CB -0.282 29.990 29.762 0.850 0.000 1.383 207 H HN 0.305 nan 8.280 nan 0.000 0.508 208 Y N 1.191 121.611 120.300 0.200 0.000 2.114 208 Y HA -0.219 4.332 4.550 0.001 0.000 0.284 208 Y C 2.759 178.651 175.900 -0.015 0.000 1.143 208 Y CA 1.603 59.516 58.100 -0.311 0.000 1.135 208 Y CB -0.421 37.803 38.460 -0.392 0.000 0.980 208 Y HN 0.146 nan 8.280 nan 0.000 0.499 209 A N 0.150 123.127 122.820 0.260 0.000 1.948 209 A HA -0.252 4.069 4.320 0.001 0.000 0.220 209 A C 2.138 179.814 177.584 0.153 0.000 1.177 209 A CA 2.274 54.445 52.037 0.224 0.000 0.636 209 A CB -0.560 18.559 19.000 0.199 0.000 0.815 209 A HN 0.563 nan 8.150 nan 0.000 0.449 210 K N -0.820 119.673 120.400 0.156 0.000 2.262 210 K HA 0.223 4.544 4.320 0.001 0.000 0.200 210 K C 2.213 178.837 176.600 0.040 0.000 1.049 210 K CA 0.645 57.013 56.287 0.136 0.000 0.979 210 K CB -0.134 32.494 32.500 0.212 0.000 0.773 210 K HN 0.418 nan 8.250 nan 0.000 0.474 211 A N 0.599 123.490 122.820 0.119 0.000 1.898 211 A HA -0.157 4.164 4.320 0.001 0.000 0.216 211 A C 1.766 179.217 177.584 -0.221 0.000 1.181 211 A CA 0.965 52.992 52.037 -0.017 0.000 0.620 211 A CB -0.802 18.313 19.000 0.191 0.000 0.819 211 A HN 0.454 nan 8.150 nan 0.000 0.442 212 W N -0.179 120.953 121.300 -0.281 0.000 2.363 212 W HA -0.128 4.533 4.660 0.001 0.000 0.296 212 W C 2.629 178.997 176.519 -0.252 0.000 1.212 212 W CA 1.500 58.676 57.345 -0.282 0.000 1.260 212 W CB 0.035 29.337 29.460 -0.263 0.000 1.131 212 W HN 0.312 nan 8.180 nan 0.000 0.530 213 R N 0.457 120.998 120.500 0.068 0.000 2.081 213 R HA -0.164 4.177 4.340 0.001 0.000 0.235 213 R C 2.236 178.485 176.300 -0.086 0.000 1.131 213 R CA 1.655 57.755 56.100 -0.000 0.000 0.960 213 R CB -0.624 29.679 30.300 0.006 0.000 0.856 213 R HN 0.119 nan 8.270 nan 0.000 0.436 214 A N 0.373 123.032 122.820 -0.270 0.000 1.917 214 A HA -0.155 4.166 4.320 0.001 0.000 0.219 214 A C 2.263 179.763 177.584 -0.140 0.000 1.182 214 A CA 1.877 53.698 52.037 -0.360 0.000 0.633 214 A CB -0.685 17.768 19.000 -0.912 0.000 0.819 214 A HN 0.243 nan 8.150 nan 0.000 0.448 215 V N -0.349 119.510 119.914 -0.091 0.000 2.295 215 V HA -0.227 3.894 4.120 0.001 0.000 0.246 215 V C 3.058 179.258 176.094 0.178 0.000 1.049 215 V CA 1.984 64.320 62.300 0.061 0.000 1.024 215 V CB -1.227 30.543 31.823 -0.087 0.000 0.648 215 V HN 0.628 nan 8.190 nan 0.000 0.447 216 A N -0.309 122.540 122.820 0.048 0.000 1.972 216 A HA -0.278 4.043 4.320 0.001 0.000 0.219 216 A C 2.040 179.724 177.584 0.167 0.000 1.169 216 A CA 1.984 54.075 52.037 0.090 0.000 0.635 216 A CB -0.634 18.363 19.000 -0.006 0.000 0.810 216 A HN 0.567 nan 8.150 nan 0.000 0.446 217 D N -0.464 119.976 120.400 0.067 0.000 2.117 217 D HA -0.169 4.472 4.640 0.001 0.000 0.197 217 D C 2.095 178.388 176.300 -0.013 0.000 0.987 217 D CA 1.276 55.293 54.000 0.028 0.000 0.829 217 D CB -0.103 40.691 40.800 -0.010 0.000 0.961 217 D HN 0.308 nan 8.370 nan 0.000 0.460 218 R N -0.846 119.614 120.500 -0.066 0.000 2.115 218 R HA 0.005 4.346 4.340 0.001 0.000 0.230 218 R C 1.480 177.499 176.300 -0.468 0.000 1.111 218 R CA 1.175 57.087 56.100 -0.312 0.000 0.976 218 R CB -0.599 29.413 30.300 -0.479 0.000 0.870 218 R HN 0.195 nan 8.270 nan 0.000 0.445 219 F N -0.684 119.333 119.950 0.111 0.000 2.678 219 F HA 0.425 4.953 4.527 0.001 0.000 0.305 219 F C 1.783 177.693 175.800 0.184 0.000 1.090 219 F CA 0.200 58.298 58.000 0.163 0.000 1.272 219 F CB 0.075 39.227 39.000 0.254 0.000 1.060 219 F HN 0.073 nan 8.300 nan 0.000 0.576 220 A N -0.314 122.661 122.820 0.257 0.000 1.940 220 A HA -0.161 4.160 4.320 0.001 0.000 0.219 220 A C 1.525 179.191 177.584 0.137 0.000 1.176 220 A CA 1.862 54.023 52.037 0.207 0.000 0.631 220 A CB -0.406 18.681 19.000 0.145 0.000 0.814 220 A HN 0.234 nan 8.150 nan 0.000 0.446 221 D N -0.278 120.181 120.400 0.098 0.000 2.525 221 D HA 0.050 4.691 4.640 0.001 0.000 0.229 221 D C -0.408 175.942 176.300 0.082 0.000 1.202 221 D CA -0.136 53.908 54.000 0.073 0.000 0.828 221 D CB -0.096 40.729 40.800 0.040 0.000 1.008 221 D HN 0.231 nan 8.370 nan 0.000 0.493 222 N N 1.762 120.543 118.700 0.135 0.000 2.420 222 N HA 0.012 4.752 4.740 0.001 0.000 0.249 222 N C 0.451 176.048 175.510 0.145 0.000 1.033 222 N CA -0.163 52.983 53.050 0.160 0.000 0.944 222 N CB 1.234 39.900 38.487 0.298 0.000 1.113 222 N HN -0.103 nan 8.380 nan 0.000 0.502 223 D N 2.538 123.005 120.400 0.113 0.000 2.312 223 D HA -0.055 4.585 4.640 0.001 0.000 0.211 223 D C 1.314 177.681 176.300 0.112 0.000 0.964 223 D CA 0.468 54.529 54.000 0.102 0.000 0.877 223 D CB 0.253 41.103 40.800 0.083 0.000 0.924 223 D HN 0.620 nan 8.370 nan 0.000 0.515 224 A N 0.495 123.390 122.820 0.126 0.000 2.021 224 A HA 0.048 4.369 4.320 0.001 0.000 0.216 224 A C 1.270 178.925 177.584 0.118 0.000 1.163 224 A CA 0.139 52.256 52.037 0.134 0.000 0.676 224 A CB 0.126 19.214 19.000 0.145 0.000 0.818 224 A HN 0.065 nan 8.150 nan 0.000 0.453 225 V N 0.352 120.335 119.914 0.115 0.000 2.455 225 V HA 0.178 4.298 4.120 0.001 0.000 0.273 225 V C 1.191 177.317 176.094 0.054 0.000 1.045 225 V CA 0.367 62.711 62.300 0.072 0.000 0.976 225 V CB 1.276 33.160 31.823 0.102 0.000 0.993 225 V HN 0.172 nan 8.190 nan 0.000 0.475 226 V N 4.222 124.170 119.914 0.056 0.000 3.572 226 V HA 0.658 4.779 4.120 0.001 0.000 0.260 226 V C 0.616 176.747 176.094 0.060 0.000 1.324 226 V CA 1.007 63.360 62.300 0.088 0.000 1.068 226 V CB 0.783 32.671 31.823 0.108 0.000 0.837 226 V HN 0.917 nan 8.190 nan 0.000 0.450 227 A N -0.849 121.960 122.820 -0.017 0.000 2.549 227 A HA 0.781 5.102 4.320 0.001 0.000 0.297 227 A C -2.112 175.438 177.584 -0.056 0.000 1.061 227 A CA -0.374 51.659 52.037 -0.007 0.000 0.690 227 A CB 1.284 20.374 19.000 0.150 0.000 1.287 227 A HN 0.182 nan 8.150 nan 0.000 0.402 228 Y N 0.940 121.288 120.300 0.080 0.000 2.338 228 Y HA 0.395 4.946 4.550 0.001 0.000 0.328 228 Y C -0.261 175.604 175.900 -0.059 0.000 0.965 228 Y CA -1.365 56.710 58.100 -0.042 0.000 1.208 228 Y CB 1.676 39.838 38.460 -0.497 0.000 1.132 228 Y HN 0.674 nan 8.280 nan 0.000 0.469 229 D N 3.966 124.552 120.400 0.311 0.000 2.365 229 D HA 0.192 4.833 4.640 0.001 0.000 0.237 229 D C 0.896 177.429 176.300 0.388 0.000 1.190 229 D CA 0.215 54.385 54.000 0.282 0.000 0.867 229 D CB 0.853 41.855 40.800 0.337 0.000 1.050 229 D HN 0.602 nan 8.370 nan 0.000 0.491 230 L N 2.675 124.028 121.223 0.217 0.000 2.093 230 L HA 0.027 4.368 4.340 0.001 0.000 0.208 230 L C 1.256 178.593 176.870 0.780 0.000 1.085 230 L CA 0.750 55.807 54.840 0.360 0.000 0.755 230 L CB -0.171 41.996 42.059 0.180 0.000 0.904 230 L HN 0.426 nan 8.230 nan 0.000 0.435 231 M N -0.146 119.821 119.600 0.612 0.000 2.238 231 M HA 0.248 4.729 4.480 0.001 0.000 0.278 231 M C -1.087 175.430 176.300 0.362 0.000 1.040 231 M CA -0.526 55.097 55.300 0.539 0.000 0.969 231 M CB 2.006 34.928 32.600 0.538 0.000 1.694 231 M HN -0.132 nan 8.290 nan 0.000 0.472 232 N N 3.605 122.456 118.700 0.251 0.000 2.475 232 N HA 0.488 5.229 4.740 0.001 0.000 0.267 232 N C 0.060 175.626 175.510 0.095 0.000 1.169 232 N CA 1.369 54.487 53.050 0.114 0.000 0.947 232 N CB 0.925 39.285 38.487 -0.211 0.000 1.061 232 N HN 0.914 nan 8.380 nan 0.000 0.466 233 A N 2.453 125.300 122.820 0.045 0.000 2.362 233 A HA -0.130 4.191 4.320 0.001 0.000 0.290 233 A C -2.170 175.536 177.584 0.203 0.000 1.441 233 A CA -0.097 51.976 52.037 0.060 0.000 0.743 233 A CB -1.920 17.134 19.000 0.090 0.000 1.125 233 A HN 0.635 nan 8.150 nan 0.000 0.378 234 P HA 0.337 nan 4.420 nan 0.000 0.261 234 P C -0.345 177.220 177.300 0.443 0.000 1.183 234 P CA 0.574 63.952 63.100 0.463 0.000 0.761 234 P CB 0.152 32.096 31.700 0.406 0.000 0.785 235 F N 2.557 122.629 119.950 0.203 0.000 2.547 235 F HA 0.581 5.109 4.527 0.001 0.000 0.316 235 F C 0.930 176.376 175.800 -0.589 0.000 1.121 235 F CA -0.418 57.373 58.000 -0.348 0.000 0.911 235 F CB 1.697 40.281 39.000 -0.694 0.000 1.179 235 F HN 0.338 nan 8.300 nan 0.000 0.443 236 G N 2.861 110.551 108.800 -1.850 0.000 3.042 236 G HA2 0.379 4.340 3.960 0.001 0.000 0.212 236 G HA3 0.379 4.340 3.960 0.001 0.000 0.212 236 G C 0.922 175.185 174.900 -1.062 0.000 1.166 236 G CA 0.386 44.169 45.100 -2.196 0.000 0.767 236 G HN 1.433 nan 8.290 nan 0.000 0.546 237 G N 0.665 108.756 108.800 -1.181 0.000 2.596 237 G HA2 -0.372 3.589 3.960 0.001 0.000 0.304 237 G HA3 -0.372 3.589 3.960 0.001 0.000 0.304 237 G C 1.467 176.126 174.900 -0.402 0.000 1.189 237 G CA 0.725 45.567 45.100 -0.430 0.000 0.986 237 G HN 0.557 nan 8.290 nan 0.000 0.548 238 S N 0.559 116.159 115.700 -0.167 0.000 2.474 238 S HA 0.170 4.641 4.470 0.001 0.000 0.235 238 S C 1.172 175.661 174.600 -0.185 0.000 0.997 238 S CA 0.817 58.940 58.200 -0.128 0.000 0.949 238 S CB -0.210 62.968 63.200 -0.037 0.000 0.766 238 S HN 0.445 nan 8.310 nan 0.000 0.517 239 L N 2.690 123.742 121.223 -0.285 0.000 2.260 239 L HA 0.403 4.744 4.340 0.001 0.000 0.289 239 L C -0.054 176.552 176.870 -0.441 0.000 1.057 239 L CA -0.383 54.284 54.840 -0.288 0.000 0.811 239 L CB 0.632 42.555 42.059 -0.227 0.000 1.184 239 L HN 0.120 nan 8.230 nan 0.000 0.429 240 Q N 2.127 121.778 119.800 -0.247 0.000 2.451 240 Q HA 0.688 5.029 4.340 0.001 0.000 0.281 240 Q C 0.259 176.226 176.000 -0.055 0.000 1.099 240 Q CA -0.220 55.458 55.803 -0.208 0.000 0.806 240 Q CB 2.573 31.185 28.738 -0.209 0.000 1.419 240 Q HN 0.763 nan 8.270 nan 0.000 0.427 241 G N 1.374 110.171 108.800 -0.005 0.000 2.642 241 G HA2 -0.226 3.735 3.960 0.001 0.000 0.231 241 G HA3 -0.226 3.735 3.960 0.001 0.000 0.231 241 G C -2.055 172.856 174.900 0.018 0.000 1.338 241 G CA -0.220 44.885 45.100 0.008 0.000 0.883 241 G HN 0.476 nan 8.290 nan 0.000 0.570 242 P HA 0.034 nan 4.420 nan 0.000 0.218 242 P C 2.208 179.481 177.300 -0.045 0.000 1.148 242 P CA 2.908 65.989 63.100 -0.032 0.000 0.822 242 P CB -0.219 31.466 31.700 -0.026 0.000 0.784 243 A N -1.211 121.594 122.820 -0.026 0.000 1.978 243 A HA -0.224 4.097 4.320 0.001 0.000 0.220 243 A C 2.037 179.612 177.584 -0.014 0.000 1.170 243 A CA 1.400 53.421 52.037 -0.026 0.000 0.636 243 A CB -1.700 17.288 19.000 -0.020 0.000 0.810 243 A HN 0.151 nan 8.150 nan 0.000 0.448 244 F N 0.858 120.691 119.950 -0.194 0.000 2.074 244 F HA -0.028 4.500 4.527 0.001 0.000 0.293 244 F C 2.125 177.749 175.800 -0.294 0.000 1.116 244 F CA 1.855 59.676 58.000 -0.298 0.000 1.212 244 F CB -0.681 38.105 39.000 -0.356 0.000 0.998 244 F HN 0.359 nan 8.300 nan 0.000 0.471 245 E N 0.263 120.187 120.200 -0.459 0.000 2.072 245 E HA -0.121 4.230 4.350 0.001 0.000 0.191 245 E C 2.210 178.599 176.600 -0.351 0.000 0.985 245 E CA 1.090 57.162 56.400 -0.548 0.000 0.801 245 E CB -0.449 29.098 29.700 -0.255 0.000 0.750 245 E HN 0.440 nan 8.360 nan 0.000 0.452 246 A N 1.139 123.833 122.820 -0.209 0.000 2.119 246 A HA 0.081 4.402 4.320 0.001 0.000 0.217 246 A C 1.693 179.192 177.584 -0.141 0.000 1.153 246 A CA 1.157 53.111 52.037 -0.138 0.000 0.692 246 A CB -0.352 18.596 19.000 -0.086 0.000 0.799 246 A HN 0.287 nan 8.150 nan 0.000 0.458 247 G N -0.292 108.396 108.800 -0.186 0.000 3.380 247 G HA2 0.288 4.249 3.960 0.001 0.000 0.188 247 G HA3 0.288 4.249 3.960 0.001 0.000 0.188 247 G C -0.860 173.930 174.900 -0.182 0.000 1.892 247 G CA 0.451 45.466 45.100 -0.141 0.000 0.912 247 G HN 0.213 nan 8.290 nan 0.000 0.609 248 P HA -0.036 nan 4.420 nan 0.000 0.220 248 P C 2.044 179.161 177.300 -0.305 0.000 1.148 248 P CA 0.510 63.537 63.100 -0.121 0.000 0.803 248 P CB 0.102 31.823 31.700 0.035 0.000 0.782 249 L N 0.755 121.498 121.223 -0.800 0.000 1.976 249 L HA -0.078 4.263 4.340 0.001 0.000 0.209 249 L C 2.557 179.066 176.870 -0.602 0.000 1.071 249 L CA 2.306 56.560 54.840 -0.976 0.000 0.746 249 L CB -1.681 39.500 42.059 -1.464 0.000 0.890 249 L HN -0.070 nan 8.230 nan 0.000 0.432 250 A N -0.544 122.060 122.820 -0.360 0.000 1.908 250 A HA -0.139 4.181 4.320 0.001 0.000 0.218 250 A C 2.424 179.997 177.584 -0.019 0.000 1.181 250 A CA 2.026 54.012 52.037 -0.085 0.000 0.627 250 A CB -1.246 17.719 19.000 -0.058 0.000 0.818 250 A HN 0.615 nan 8.150 nan 0.000 0.445 251 A N -0.951 121.838 122.820 -0.051 0.000 1.972 251 A HA -0.119 4.202 4.320 0.001 0.000 0.219 251 A C 2.195 179.817 177.584 0.063 0.000 1.169 251 A CA 1.899 53.945 52.037 0.015 0.000 0.635 251 A CB -0.486 18.522 19.000 0.012 0.000 0.810 251 A HN 0.554 nan 8.150 nan 0.000 0.446 252 M N -1.362 118.278 119.600 0.066 0.000 2.132 252 M HA -0.120 4.361 4.480 0.001 0.000 0.263 252 M C 1.892 178.312 176.300 0.200 0.000 1.065 252 M CA 1.804 57.189 55.300 0.142 0.000 1.122 252 M CB -0.750 32.003 32.600 0.255 0.000 1.365 252 M HN 0.455 nan 8.290 nan 0.000 0.411 253 Y N 0.875 121.260 120.300 0.142 0.000 2.165 253 Y HA -0.250 4.301 4.550 0.001 0.000 0.286 253 Y C 2.707 178.642 175.900 0.059 0.000 1.155 253 Y CA 1.831 59.990 58.100 0.098 0.000 1.164 253 Y CB -1.399 37.098 38.460 0.061 0.000 0.978 253 Y HN 0.383 nan 8.280 nan 0.000 0.513 254 Q N 0.558 120.480 119.800 0.204 0.000 2.050 254 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 254 Q C 2.482 178.543 176.000 0.101 0.000 0.980 254 Q CA 1.921 57.794 55.803 0.116 0.000 0.840 254 Q CB -0.290 28.494 28.738 0.077 0.000 0.898 254 Q HN 0.397 nan 8.270 nan 0.000 0.424 255 R N -1.117 119.451 120.500 0.113 0.000 2.081 255 R HA -0.112 4.229 4.340 0.001 0.000 0.235 255 R C 1.908 178.278 176.300 0.117 0.000 1.131 255 R CA 1.919 58.082 56.100 0.105 0.000 0.960 255 R CB -0.350 30.016 30.300 0.111 0.000 0.856 255 R HN 0.303 nan 8.270 nan 0.000 0.436 256 T N -0.097 114.551 114.554 0.158 0.000 2.737 256 T HA -0.085 4.266 4.350 0.001 0.000 0.265 256 T C 1.716 176.449 174.700 0.054 0.000 1.038 256 T CA 1.759 63.947 62.100 0.146 0.000 1.144 256 T CB -0.346 68.662 68.868 0.234 0.000 0.866 256 T HN 0.363 nan 8.240 nan 0.000 0.434 257 T N 2.291 116.875 114.554 0.050 0.000 2.635 257 T HA -0.159 4.192 4.350 0.001 0.000 0.267 257 T C 1.724 176.435 174.700 0.019 0.000 1.040 257 T CA 1.525 63.630 62.100 0.009 0.000 1.156 257 T CB -0.577 68.300 68.868 0.016 0.000 0.863 257 T HN 0.323 nan 8.240 nan 0.000 0.430 258 D N 1.111 121.533 120.400 0.036 0.000 2.123 258 D HA -0.034 4.607 4.640 0.001 0.000 0.196 258 D C 2.334 178.655 176.300 0.036 0.000 0.992 258 D CA 1.310 55.329 54.000 0.032 0.000 0.833 258 D CB -0.497 40.326 40.800 0.038 0.000 0.954 258 D HN 0.424 nan 8.370 nan 0.000 0.455 259 A N 0.632 123.481 122.820 0.048 0.000 1.898 259 A HA -0.106 4.214 4.320 0.001 0.000 0.216 259 A C 2.399 180.008 177.584 0.042 0.000 1.181 259 A CA 0.758 52.826 52.037 0.052 0.000 0.620 259 A CB -0.692 18.353 19.000 0.075 0.000 0.819 259 A HN 0.185 nan 8.150 nan 0.000 0.442 260 I N -0.656 119.933 120.570 0.031 0.000 2.208 260 I HA -0.254 3.917 4.170 0.001 0.000 0.245 260 I C 2.293 178.440 176.117 0.050 0.000 1.097 260 I CA 1.105 62.422 61.300 0.028 0.000 1.363 260 I CB -0.267 37.725 38.000 -0.014 0.000 1.051 260 I HN 0.227 nan 8.210 nan 0.000 0.413 261 R N 0.772 121.292 120.500 0.034 0.000 2.339 261 R HA -0.075 4.266 4.340 0.001 0.000 0.199 261 R C 1.870 178.186 176.300 0.025 0.000 1.018 261 R CA 0.497 56.613 56.100 0.026 0.000 1.036 261 R CB -0.301 30.003 30.300 0.005 0.000 0.899 261 R HN 0.594 nan 8.270 nan 0.000 0.473 262 Q N 0.071 119.889 119.800 0.030 0.000 2.291 262 Q HA -0.071 4.270 4.340 0.001 0.000 0.205 262 Q C 1.759 177.778 176.000 0.032 0.000 0.970 262 Q CA 1.557 57.377 55.803 0.029 0.000 0.876 262 Q CB 0.363 29.119 28.738 0.031 0.000 0.935 262 Q HN 0.294 nan 8.270 nan 0.000 0.455 263 V N -4.857 115.082 119.914 0.042 0.000 3.426 263 V HA 0.282 4.403 4.120 0.001 0.000 0.279 263 V C -0.333 175.803 176.094 0.070 0.000 1.544 263 V CA -0.276 62.053 62.300 0.048 0.000 1.017 263 V CB 1.225 33.074 31.823 0.044 0.000 0.821 263 V HN -0.027 nan 8.190 nan 0.000 0.432 264 D N 0.224 120.676 120.400 0.086 0.000 2.478 264 D HA 0.394 5.035 4.640 0.001 0.000 0.240 264 D C 0.222 176.565 176.300 0.071 0.000 1.364 264 D CA -0.097 53.972 54.000 0.116 0.000 0.987 264 D CB 2.310 43.254 40.800 0.240 0.000 1.328 264 D HN 0.063 nan 8.370 nan 0.000 0.584 265 Q N 1.169 120.986 119.800 0.028 0.000 2.402 265 Q HA 0.177 4.518 4.340 0.001 0.000 0.206 265 Q C 0.444 176.401 176.000 -0.071 0.000 0.919 265 Q CA 0.752 56.544 55.803 -0.019 0.000 0.923 265 Q CB 0.703 29.429 28.738 -0.021 0.000 1.048 265 Q HN 0.398 nan 8.270 nan 0.000 0.515 266 D N -1.079 119.287 120.400 -0.058 0.000 2.454 266 D HA 0.061 4.701 4.640 0.001 0.000 0.219 266 D C -0.105 176.104 176.300 -0.151 0.000 1.081 266 D CA 0.315 54.243 54.000 -0.119 0.000 0.867 266 D CB 0.452 41.222 40.800 -0.051 0.000 1.054 266 D HN 0.017 nan 8.370 nan 0.000 0.500 267 T N 1.002 115.500 114.554 -0.093 0.000 2.919 267 T HA -0.006 4.345 4.350 0.001 0.000 0.302 267 T C 0.301 174.921 174.700 -0.134 0.000 1.031 267 T CA -0.261 61.755 62.100 -0.140 0.000 1.127 267 T CB 0.968 69.580 68.868 -0.428 0.000 0.952 267 T HN 0.028 nan 8.240 nan 0.000 0.540 268 W N 2.481 123.675 121.300 -0.177 0.000 2.216 268 W HA 0.292 4.953 4.660 0.002 0.000 0.326 268 W C -0.394 176.048 176.519 -0.128 0.000 1.319 268 W CA -0.443 56.834 57.345 -0.112 0.000 1.213 268 W CB 0.544 29.962 29.460 -0.070 0.000 1.171 268 W HN 0.256 nan 8.180 nan 0.000 0.557 269 V N 4.882 124.849 119.914 0.089 0.000 2.370 269 V HA 0.166 4.286 4.120 0.001 0.000 0.279 269 V C 0.054 176.178 176.094 0.049 0.000 1.029 269 V CA -0.554 61.763 62.300 0.029 0.000 0.870 269 V CB 0.878 32.679 31.823 -0.036 0.000 0.984 269 V HN 0.483 nan 8.190 nan 0.000 0.451 270 C N 5.543 124.859 119.300 0.026 0.000 2.329 270 C HA 0.778 5.239 4.460 0.001 0.000 0.329 270 C C 0.191 175.119 174.990 -0.103 0.000 1.275 270 C CA -0.820 58.213 59.018 0.025 0.000 1.726 270 C CB 0.904 28.701 27.740 0.094 0.000 2.291 270 C HN 0.770 nan 8.230 nan 0.000 0.514 271 V N 0.697 120.518 119.914 -0.154 0.000 2.680 271 V HA 0.997 5.117 4.120 0.001 0.000 0.309 271 V C -0.137 175.893 176.094 -0.107 0.000 1.052 271 V CA -0.487 61.543 62.300 -0.450 0.000 0.908 271 V CB 1.385 32.773 31.823 -0.726 0.000 1.001 271 V HN 1.112 nan 8.190 nan 0.000 0.431 272 A N 5.157 127.962 122.820 -0.025 0.000 2.337 272 A HA 1.042 5.363 4.320 0.001 0.000 0.331 272 A C -2.652 175.071 177.584 0.233 0.000 1.137 272 A CA -2.001 50.079 52.037 0.070 0.000 0.807 272 A CB 1.574 20.595 19.000 0.035 0.000 1.250 272 A HN 0.807 nan 8.150 nan 0.000 0.468 273 P HA 0.231 nan 4.420 nan 0.000 0.277 273 P C -0.725 176.654 177.300 0.132 0.000 1.271 273 P CA -0.426 62.791 63.100 0.195 0.000 0.795 273 P CB 0.328 32.156 31.700 0.214 0.000 1.101 274 Q N -0.125 119.743 119.800 0.113 0.000 2.349 274 Q HA 0.213 4.553 4.340 0.001 0.000 0.287 274 Q C 0.794 176.861 176.000 0.112 0.000 1.044 274 Q CA -0.008 55.896 55.803 0.169 0.000 0.918 274 Q CB 0.410 29.294 28.738 0.244 0.000 1.242 274 Q HN 0.431 nan 8.270 nan 0.000 0.405 275 A N 4.156 127.032 122.820 0.092 0.000 1.854 275 A HA -0.028 4.293 4.320 0.001 0.000 0.214 275 A C 0.931 178.543 177.584 0.046 0.000 1.192 275 A CA 0.467 52.532 52.037 0.045 0.000 0.611 275 A CB -0.254 18.749 19.000 0.005 0.000 0.832 275 A HN 0.831 nan 8.150 nan 0.000 0.442 276 I N -0.510 120.071 120.570 0.019 0.000 2.618 276 I HA 0.399 4.570 4.170 0.001 0.000 0.284 276 I C 1.407 177.545 176.117 0.035 0.000 1.146 276 I CA 1.320 62.623 61.300 0.004 0.000 1.425 276 I CB 0.530 38.519 38.000 -0.019 0.000 1.383 276 I HN 0.727 nan 8.210 nan 0.000 0.562 277 G N 4.547 113.374 108.800 0.046 0.000 3.329 277 G HA2 -0.313 3.648 3.960 0.001 0.000 0.220 277 G HA3 -0.313 3.648 3.960 0.001 0.000 0.220 277 G C 0.888 175.847 174.900 0.099 0.000 1.358 277 G CA 0.320 45.455 45.100 0.059 0.000 0.856 277 G HN 0.651 nan 8.290 nan 0.000 0.551 278 V N 1.675 121.657 119.914 0.113 0.000 2.515 278 V HA -0.109 4.012 4.120 0.001 0.000 0.250 278 V C 2.508 178.756 176.094 0.256 0.000 1.058 278 V CA 2.526 64.920 62.300 0.156 0.000 1.064 278 V CB -0.620 31.286 31.823 0.138 0.000 0.675 278 V HN 0.486 nan 8.190 nan 0.000 0.461 279 N N 0.569 119.412 118.700 0.238 0.000 2.205 279 N HA -0.176 4.565 4.740 0.001 0.000 0.186 279 N C 1.655 177.332 175.510 0.277 0.000 1.015 279 N CA 1.130 54.361 53.050 0.303 0.000 0.862 279 N CB -0.262 38.377 38.487 0.254 0.000 0.986 279 N HN 0.548 nan 8.380 nan 0.000 0.429 280 Q N -1.284 118.643 119.800 0.212 0.000 2.220 280 Q HA 0.403 4.743 4.340 0.001 0.000 0.205 280 Q C 0.753 176.858 176.000 0.176 0.000 0.865 280 Q CA 0.298 56.200 55.803 0.164 0.000 0.960 280 Q CB 0.503 29.306 28.738 0.107 0.000 1.097 280 Q HN 0.310 nan 8.270 nan 0.000 0.493 281 G N -0.511 108.441 108.800 0.254 0.000 2.159 281 G HA2 -0.222 3.739 3.960 0.001 0.000 0.227 281 G HA3 -0.222 3.739 3.960 0.001 0.000 0.227 281 G C -0.382 174.597 174.900 0.132 0.000 0.986 281 G CA -0.444 44.795 45.100 0.231 0.000 0.651 281 G HN 0.186 nan 8.290 nan 0.000 0.523 282 L N 1.992 123.281 121.223 0.110 0.000 2.439 282 L HA 0.561 4.902 4.340 0.001 0.000 0.261 282 L C -1.447 175.455 176.870 0.054 0.000 1.153 282 L CA -1.970 52.908 54.840 0.064 0.000 0.808 282 L CB 0.297 42.387 42.059 0.052 0.000 1.126 282 L HN -0.052 nan 8.230 nan 0.000 0.460 283 P HA 0.110 nan 4.420 nan 0.000 0.275 283 P C -0.781 176.542 177.300 0.039 0.000 1.228 283 P CA -0.460 62.650 63.100 0.017 0.000 0.786 283 P CB 1.242 32.926 31.700 -0.026 0.000 0.927 284 S N 1.006 116.743 115.700 0.061 0.000 2.585 284 S HA 0.500 4.971 4.470 0.001 0.000 0.277 284 S C 1.341 175.960 174.600 0.031 0.000 1.241 284 S CA -0.295 57.941 58.200 0.059 0.000 1.041 284 S CB 0.030 63.290 63.200 0.100 0.000 0.987 284 S HN 0.535 nan 8.310 nan 0.000 0.512 285 G N 3.095 111.898 108.800 0.004 0.000 3.284 285 G HA2 0.202 4.162 3.960 0.001 0.000 0.236 285 G HA3 0.202 4.162 3.960 0.001 0.000 0.236 285 G C 0.114 174.984 174.900 -0.051 0.000 1.158 285 G CA -0.294 44.793 45.100 -0.020 0.000 0.774 285 G HN 0.598 nan 8.290 nan 0.000 0.545 286 L N 3.069 124.263 121.223 -0.049 0.000 2.490 286 L HA 0.355 4.695 4.340 0.001 0.000 0.274 286 L C 0.888 177.706 176.870 -0.086 0.000 1.201 286 L CA 0.173 54.978 54.840 -0.057 0.000 0.869 286 L CB 0.598 42.655 42.059 -0.004 0.000 1.123 286 L HN 0.145 nan 8.230 nan 0.000 0.484 287 T N 1.999 116.512 114.554 -0.069 0.000 2.952 287 T HA 0.350 4.700 4.350 0.001 0.000 0.286 287 T C -0.036 174.624 174.700 -0.066 0.000 1.024 287 T CA -1.086 60.970 62.100 -0.074 0.000 1.029 287 T CB 0.980 69.813 68.868 -0.057 0.000 1.094 287 T HN 0.618 nan 8.240 nan 0.000 0.515 288 K N 0.985 121.339 120.400 -0.076 0.000 2.489 288 K HA 0.121 4.442 4.320 0.001 0.000 0.278 288 K C -0.507 176.073 176.600 -0.033 0.000 1.000 288 K CA -0.303 55.943 56.287 -0.068 0.000 1.012 288 K CB 0.138 32.596 32.500 -0.070 0.000 0.903 288 K HN 0.437 nan 8.250 nan 0.000 0.485 289 I N 3.900 124.454 120.570 -0.026 0.000 2.412 289 I HA 0.159 4.330 4.170 0.001 0.000 0.296 289 I C -0.114 175.994 176.117 -0.015 0.000 0.987 289 I CA -0.639 60.661 61.300 -0.001 0.000 1.180 289 I CB 1.523 39.528 38.000 0.009 0.000 1.340 289 I HN 0.579 nan 8.210 nan 0.000 0.455 290 D N 4.304 124.700 120.400 -0.007 0.000 2.225 290 D HA 0.142 4.783 4.640 0.001 0.000 0.248 290 D C -0.316 175.971 176.300 -0.020 0.000 1.096 290 D CA -0.064 53.926 54.000 -0.017 0.000 0.863 290 D CB 1.703 42.496 40.800 -0.011 0.000 1.156 290 D HN 0.328 nan 8.370 nan 0.000 0.450 291 D N 2.503 122.881 120.400 -0.036 0.000 2.373 291 D HA 0.158 4.799 4.640 0.001 0.000 0.227 291 D C -1.553 174.720 176.300 -0.044 0.000 1.091 291 D CA -1.992 51.978 54.000 -0.049 0.000 0.840 291 D CB 1.602 42.354 40.800 -0.081 0.000 1.060 291 D HN 0.045 nan 8.370 nan 0.000 0.502 292 P HA -0.040 nan 4.420 nan 0.000 0.242 292 P C 0.389 177.669 177.300 -0.034 0.000 1.197 292 P CA 0.096 63.180 63.100 -0.025 0.000 0.765 292 P CB -0.003 31.689 31.700 -0.012 0.000 0.936 293 R N 0.334 120.803 120.500 -0.052 0.000 2.694 293 R HA 0.419 4.760 4.340 0.001 0.000 0.268 293 R C -0.097 176.169 176.300 -0.056 0.000 1.061 293 R CA -0.412 55.652 56.100 -0.060 0.000 1.133 293 R CB 0.138 30.381 30.300 -0.096 0.000 1.020 293 R HN -0.137 nan 8.270 nan 0.000 0.475 294 A N 1.999 124.790 122.820 -0.048 0.000 2.450 294 A HA 0.500 4.821 4.320 0.001 0.000 0.255 294 A C 0.989 178.543 177.584 -0.050 0.000 1.096 294 A CA 0.520 52.533 52.037 -0.040 0.000 0.778 294 A CB -0.312 18.671 19.000 -0.030 0.000 1.031 294 A HN 1.274 nan 8.150 nan 0.000 0.494 295 G N 1.650 110.425 108.800 -0.042 0.000 2.499 295 G HA2 -0.169 3.792 3.960 0.001 0.000 0.232 295 G HA3 -0.169 3.792 3.960 0.001 0.000 0.232 295 G C -0.164 174.703 174.900 -0.054 0.000 1.251 295 G CA 0.068 45.143 45.100 -0.042 0.000 0.917 295 G HN 1.063 nan 8.290 nan 0.000 0.580 296 Q N 0.614 120.379 119.800 -0.057 0.000 2.364 296 Q HA 0.348 4.689 4.340 0.001 0.000 0.267 296 Q C 0.834 176.771 176.000 -0.105 0.000 0.999 296 Q CA 0.084 55.852 55.803 -0.059 0.000 0.886 296 Q CB 0.760 29.479 28.738 -0.032 0.000 1.243 296 Q HN 0.656 nan 8.270 nan 0.000 0.415 297 Q N 2.166 121.913 119.800 -0.087 0.000 2.315 297 Q HA -0.084 4.257 4.340 0.001 0.000 0.289 297 Q C -0.575 175.308 176.000 -0.195 0.000 1.044 297 Q CA 0.662 56.396 55.803 -0.114 0.000 0.920 297 Q CB 0.512 29.213 28.738 -0.061 0.000 1.214 297 Q HN 0.449 nan 8.270 nan 0.000 0.392 298 R N 4.840 125.135 120.500 -0.341 0.000 3.057 298 R HA 0.344 4.685 4.340 0.001 0.000 0.291 298 R C -0.918 175.173 176.300 -0.348 0.000 1.394 298 R CA -0.434 55.235 56.100 -0.719 0.000 1.630 298 R CB 0.497 29.994 30.300 -1.339 0.000 1.268 298 R HN 0.504 nan 8.270 nan 0.000 0.621 299 I N 1.237 121.799 120.570 -0.012 0.000 2.404 299 I HA 0.516 4.687 4.170 0.001 0.000 0.293 299 I C 0.371 176.648 176.117 0.267 0.000 0.992 299 I CA -0.953 60.410 61.300 0.105 0.000 1.149 299 I CB 1.454 39.461 38.000 0.013 0.000 1.315 299 I HN 0.301 nan 8.210 nan 0.000 0.446 300 A N 5.830 128.811 122.820 0.267 0.000 2.350 300 A HA 0.694 5.015 4.320 0.001 0.000 0.318 300 A C -1.675 176.003 177.584 0.158 0.000 1.132 300 A CA -0.479 51.663 52.037 0.176 0.000 0.811 300 A CB 1.516 20.569 19.000 0.088 0.000 1.313 300 A HN 0.534 nan 8.150 nan 0.000 0.454 301 Y N 0.018 120.304 120.300 -0.025 0.000 2.331 301 Y HA 0.480 5.031 4.550 0.001 0.000 0.338 301 Y C -0.239 175.667 175.900 0.010 0.000 0.992 301 Y CA -1.516 56.562 58.100 -0.036 0.000 1.121 301 Y CB 1.489 39.909 38.460 -0.068 0.000 1.184 301 Y HN 0.633 nan 8.280 nan 0.000 0.469 302 C N 10.615 129.780 119.300 -0.225 0.000 3.075 302 C HA 0.444 4.905 4.460 0.001 0.000 0.262 302 C C -2.442 172.438 174.990 -0.183 0.000 1.371 302 C CA -1.910 57.037 59.018 -0.119 0.000 1.594 302 C CB -1.253 26.529 27.740 0.070 0.000 1.849 302 C HN 0.665 nan 8.230 nan 0.000 0.475 303 P HA 0.275 nan 4.420 nan 0.000 0.274 303 P C -0.677 176.865 177.300 0.402 0.000 1.246 303 P CA 0.334 63.357 63.100 -0.128 0.000 0.795 303 P CB 0.937 32.487 31.700 -0.250 0.000 1.006 304 H N -0.006 119.213 119.070 0.248 0.000 2.544 304 H HA 0.608 5.165 4.556 0.001 0.000 0.342 304 H C -0.444 175.073 175.328 0.314 0.000 1.185 304 H CA -0.740 55.482 56.048 0.290 0.000 1.264 304 H CB 0.731 30.658 29.762 0.274 0.000 1.607 304 H HN 0.222 nan 8.280 nan 0.000 0.550 305 L N 2.106 123.449 121.223 0.200 0.000 2.404 305 L HA 0.326 4.667 4.340 0.001 0.000 0.272 305 L C -1.982 174.838 176.870 -0.083 0.000 0.980 305 L CA -0.435 54.279 54.840 -0.211 0.000 0.836 305 L CB 0.454 41.958 42.059 -0.924 0.000 1.238 305 L HN 0.544 nan 8.230 nan 0.000 0.408 306 Y N 5.922 126.245 120.300 0.038 0.000 2.563 306 Y HA 0.490 5.041 4.550 0.001 0.000 0.351 306 Y C -2.172 173.753 175.900 0.042 0.000 1.087 306 Y CA -1.470 56.671 58.100 0.069 0.000 1.272 306 Y CB 0.963 39.475 38.460 0.087 0.000 1.095 306 Y HN 0.573 nan 8.280 nan 0.000 0.620 319 L N 2.001 123.224 121.223 -0.000 0.000 2.068 319 L HA 0.551 4.892 4.340 0.001 0.000 0.204 319 L C 3.048 179.917 176.870 -0.003 0.000 1.076 319 L CA 2.577 57.417 54.840 -0.000 0.000 0.753 319 L CB -0.462 41.596 42.059 -0.001 0.000 0.910 319 L HN 0.314 nan 8.230 nan 0.000 0.439 320 A N -0.305 122.510 122.820 -0.009 0.000 1.986 320 A HA -0.257 4.064 4.320 0.001 0.000 0.220 320 A C 2.393 179.964 177.584 -0.021 0.000 1.171 320 A CA 1.996 54.022 52.037 -0.019 0.000 0.640 320 A CB -0.577 18.407 19.000 -0.027 0.000 0.811 320 A HN 0.500 nan 8.150 nan 0.000 0.451 321 R N -1.402 119.092 120.500 -0.010 0.000 2.062 321 R HA -0.054 4.286 4.340 0.001 0.000 0.229 321 R C 2.282 178.591 176.300 0.015 0.000 1.128 321 R CA 1.705 57.806 56.100 0.003 0.000 0.960 321 R CB -0.706 29.600 30.300 0.010 0.000 0.855 321 R HN 0.487 nan 8.270 nan 0.000 0.432 322 T N 1.748 116.309 114.554 0.011 0.000 2.788 322 T HA -0.060 4.290 4.350 0.001 0.000 0.268 322 T C 1.884 176.595 174.700 0.018 0.000 1.044 322 T CA 0.939 63.048 62.100 0.015 0.000 1.139 322 T CB -0.126 68.749 68.868 0.011 0.000 0.867 322 T HN 0.096 nan 8.240 nan 0.000 0.454 323 L N 0.609 121.839 121.223 0.012 0.000 2.012 323 L HA -0.160 4.181 4.340 0.001 0.000 0.210 323 L C 2.936 179.820 176.870 0.022 0.000 1.073 323 L CA 1.368 56.216 54.840 0.014 0.000 0.748 323 L CB -1.054 41.008 42.059 0.003 0.000 0.891 323 L HN 0.260 nan 8.230 nan 0.000 0.431 324 T N -1.115 113.449 114.554 0.016 0.000 2.746 324 T HA -0.181 4.170 4.350 0.001 0.000 0.267 324 T C 1.474 176.221 174.700 0.078 0.000 1.039 324 T CA 1.456 63.578 62.100 0.037 0.000 1.142 324 T CB -0.234 68.635 68.868 0.002 0.000 0.866 324 T HN 0.296 nan 8.240 nan 0.000 0.444 325 D N 0.903 121.340 120.400 0.062 0.000 2.104 325 D HA -0.098 4.542 4.640 0.001 0.000 0.194 325 D C 2.389 178.717 176.300 0.048 0.000 0.994 325 D CA 1.402 55.434 54.000 0.053 0.000 0.830 325 D CB -0.569 40.253 40.800 0.038 0.000 0.959 325 D HN 0.416 nan 8.370 nan 0.000 0.452 326 V N -1.453 118.487 119.914 0.043 0.000 2.667 326 V HA -0.127 3.994 4.120 0.001 0.000 0.252 326 V C 2.109 178.242 176.094 0.065 0.000 1.065 326 V CA 1.743 64.070 62.300 0.045 0.000 1.083 326 V CB -1.034 30.809 31.823 0.034 0.000 0.692 326 V HN -0.001 nan 8.190 nan 0.000 0.468 327 T N 1.343 115.940 114.554 0.070 0.000 2.746 327 T HA -0.048 4.303 4.350 0.001 0.000 0.267 327 T C 1.815 176.597 174.700 0.137 0.000 1.039 327 T CA 2.367 64.525 62.100 0.097 0.000 1.142 327 T CB -0.424 68.491 68.868 0.078 0.000 0.866 327 T HN 0.525 nan 8.240 nan 0.000 0.444 328 I N 1.095 121.724 120.570 0.099 0.000 2.315 328 I HA -0.157 4.014 4.170 0.001 0.000 0.248 328 I C 2.289 178.511 176.117 0.175 0.000 1.117 328 I CA 1.069 62.427 61.300 0.096 0.000 1.404 328 I CB -0.334 37.662 38.000 -0.005 0.000 1.071 328 I HN 0.136 nan 8.210 nan 0.000 0.419 329 D N 1.189 121.656 120.400 0.113 0.000 2.097 329 D HA -0.141 4.500 4.640 0.001 0.000 0.197 329 D C 2.310 178.671 176.300 0.102 0.000 0.984 329 D CA 1.635 55.690 54.000 0.091 0.000 0.826 329 D CB -0.269 40.563 40.800 0.053 0.000 0.973 329 D HN 0.323 nan 8.370 nan 0.000 0.460 330 A N 0.550 123.436 122.820 0.110 0.000 1.865 330 A HA -0.201 4.120 4.320 0.001 0.000 0.217 330 A C 2.206 179.871 177.584 0.135 0.000 1.191 330 A CA 1.768 53.865 52.037 0.100 0.000 0.623 330 A CB -1.399 17.661 19.000 0.101 0.000 0.826 330 A HN 0.423 nan 8.150 nan 0.000 0.444 331 W N 0.666 121.976 121.300 0.017 0.000 2.335 331 W HA -0.259 4.401 4.660 0.001 0.000 0.311 331 W C 2.511 179.044 176.519 0.023 0.000 1.213 331 W CA 2.530 59.890 57.345 0.025 0.000 1.274 331 W CB -0.233 29.236 29.460 0.016 0.000 1.148 331 W HN 0.362 nan 8.180 nan 0.000 0.498 332 R N 0.433 121.050 120.500 0.196 0.000 2.083 332 R HA -0.208 4.132 4.340 0.001 0.000 0.237 332 R C 2.226 178.457 176.300 -0.115 0.000 1.137 332 R CA 2.299 58.395 56.100 -0.008 0.000 0.951 332 R CB -0.913 29.458 30.300 0.117 0.000 0.851 332 R HN 0.212 nan 8.270 nan 0.000 0.434 333 A N 1.150 123.944 122.820 -0.043 0.000 1.902 333 A HA -0.170 4.151 4.320 0.001 0.000 0.217 333 A C 1.838 179.382 177.584 -0.066 0.000 1.181 333 A CA 1.658 53.668 52.037 -0.045 0.000 0.623 333 A CB -0.600 18.386 19.000 -0.024 0.000 0.818 333 A HN 0.464 nan 8.150 nan 0.000 0.443 334 N N -0.304 118.339 118.700 -0.095 0.000 2.142 334 N HA -0.095 4.646 4.740 0.001 0.000 0.186 334 N C 1.763 177.210 175.510 -0.105 0.000 1.023 334 N CA 1.886 54.888 53.050 -0.080 0.000 0.852 334 N CB -0.837 37.608 38.487 -0.070 0.000 0.998 334 N HN 0.475 nan 8.380 nan 0.000 0.424 335 T N 1.255 115.625 114.554 -0.306 0.000 2.708 335 T HA -0.065 4.286 4.350 0.001 0.000 0.266 335 T C 1.991 176.612 174.700 -0.132 0.000 1.037 335 T CA 1.446 63.384 62.100 -0.270 0.000 1.146 335 T CB -0.375 67.983 68.868 -0.850 0.000 0.865 335 T HN 0.333 nan 8.240 nan 0.000 0.435 336 A N 1.295 124.025 122.820 -0.150 0.000 1.908 336 A HA -0.225 4.095 4.320 0.001 0.000 0.218 336 A C 2.114 179.654 177.584 -0.074 0.000 1.181 336 A CA 1.956 53.936 52.037 -0.095 0.000 0.627 336 A CB -1.051 17.907 19.000 -0.070 0.000 0.818 336 A HN 0.714 nan 8.150 nan 0.000 0.445 337 H N -0.357 118.630 119.070 -0.139 0.000 2.267 337 H HA -0.135 4.422 4.556 0.001 0.000 0.297 337 H C 2.045 177.259 175.328 -0.191 0.000 1.080 337 H CA 2.185 58.151 56.048 -0.137 0.000 1.278 337 H CB -0.129 29.563 29.762 -0.116 0.000 1.365 337 H HN 0.435 nan 8.280 nan 0.000 0.489 338 T N 0.863 115.216 114.554 -0.334 0.000 2.833 338 T HA -0.066 4.285 4.350 0.001 0.000 0.269 338 T C 2.187 176.488 174.700 -0.664 0.000 1.054 338 T CA 0.981 62.736 62.100 -0.575 0.000 1.135 338 T CB -0.495 67.978 68.868 -0.657 0.000 0.869 338 T HN 0.507 nan 8.240 nan 0.000 0.466 339 A N 1.830 124.348 122.820 -0.503 0.000 1.940 339 A HA -0.140 4.181 4.320 0.001 0.000 0.219 339 A C 2.391 179.827 177.584 -0.246 0.000 1.176 339 A CA 1.382 53.231 52.037 -0.314 0.000 0.631 339 A CB -0.466 18.458 19.000 -0.127 0.000 0.814 339 A HN 0.395 nan 8.150 nan 0.000 0.446 340 R N -0.793 119.558 120.500 -0.248 0.000 2.070 340 R HA -0.089 4.252 4.340 0.001 0.000 0.233 340 R C 2.072 178.225 176.300 -0.245 0.000 1.137 340 R CA 1.513 57.487 56.100 -0.210 0.000 0.945 340 R CB -0.735 29.455 30.300 -0.183 0.000 0.845 340 R HN 0.366 nan 8.270 nan 0.000 0.430 341 V N 1.780 121.475 119.914 -0.365 0.000 2.370 341 V HA -0.260 3.861 4.120 0.001 0.000 0.252 341 V C 2.206 178.162 176.094 -0.230 0.000 1.068 341 V CA 1.740 63.849 62.300 -0.318 0.000 1.061 341 V CB -0.419 31.161 31.823 -0.405 0.000 0.656 341 V HN 0.328 nan 8.190 nan 0.000 0.455 342 L N -0.343 120.728 121.223 -0.253 0.000 2.395 342 L HA 0.244 4.585 4.340 0.001 0.000 0.218 342 L C 1.440 178.240 176.870 -0.117 0.000 1.130 342 L CA 1.005 55.735 54.840 -0.183 0.000 0.826 342 L CB -0.130 41.799 42.059 -0.216 0.000 0.941 342 L HN 0.571 nan 8.230 nan 0.000 0.451 343 G N -0.530 108.200 108.800 -0.117 0.000 2.244 343 G HA2 -0.132 3.829 3.960 0.001 0.000 0.163 343 G HA3 -0.132 3.829 3.960 0.001 0.000 0.163 343 G C -0.332 174.532 174.900 -0.059 0.000 1.064 343 G CA -0.477 44.577 45.100 -0.076 0.000 0.757 343 G HN 0.209 nan 8.290 nan 0.000 0.484 344 D N -1.265 119.086 120.400 -0.082 0.000 2.705 344 D HA -0.163 4.478 4.640 0.001 0.000 0.240 344 D C 1.024 177.300 176.300 -0.040 0.000 1.137 344 D CA 1.371 55.332 54.000 -0.065 0.000 0.677 344 D CB -1.816 38.959 40.800 -0.043 0.000 1.049 344 D HN 1.634 nan 8.370 nan 0.000 0.427 345 V N -3.189 116.698 119.914 -0.045 0.000 2.863 345 V HA 0.700 4.821 4.120 0.001 0.000 0.307 345 V C -2.084 173.997 176.094 -0.022 0.000 1.061 345 V CA -1.650 60.654 62.300 0.006 0.000 1.024 345 V CB 1.117 32.957 31.823 0.028 0.000 1.049 345 V HN -0.180 nan 8.190 nan 0.000 0.471 346 P HA 0.354 nan 4.420 nan 0.000 0.269 346 P C -0.684 176.575 177.300 -0.068 0.000 1.209 346 P CA 0.212 63.237 63.100 -0.124 0.000 0.776 346 P CB 0.288 31.869 31.700 -0.199 0.000 0.876 347 I N 3.035 123.544 120.570 -0.101 0.000 2.378 347 I HA 0.368 4.539 4.170 0.001 0.000 0.291 347 I C 0.043 176.126 176.117 -0.057 0.000 0.992 347 I CA -0.436 60.844 61.300 -0.033 0.000 1.154 347 I CB 1.031 39.015 38.000 -0.027 0.000 1.315 347 I HN 0.104 nan 8.210 nan 0.000 0.448 348 I N 6.872 127.428 120.570 -0.024 0.000 2.389 348 I HA 0.214 4.384 4.170 0.001 0.000 0.288 348 I C -0.576 175.593 176.117 0.087 0.000 0.999 348 I CA -0.867 60.435 61.300 0.002 0.000 1.129 348 I CB 1.856 39.863 38.000 0.012 0.000 1.288 348 I HN 0.345 nan 8.210 nan 0.000 0.444 349 L N 6.781 128.073 121.223 0.116 0.000 2.454 349 L HA 0.344 4.685 4.340 0.001 0.000 0.284 349 L C 1.141 178.129 176.870 0.195 0.000 1.139 349 L CA 0.485 55.430 54.840 0.175 0.000 0.911 349 L CB 0.474 42.571 42.059 0.063 0.000 1.262 349 L HN 0.717 nan 8.230 nan 0.000 0.453 350 G N 3.926 112.885 108.800 0.265 0.000 2.551 350 G HA2 -0.033 3.928 3.960 0.001 0.000 0.216 350 G HA3 -0.033 3.928 3.960 0.001 0.000 0.216 350 G C 0.344 175.319 174.900 0.124 0.000 1.137 350 G CA 0.066 45.337 45.100 0.286 0.000 0.798 350 G HN 0.580 nan 8.290 nan 0.000 0.536 351 E N -0.877 119.285 120.200 -0.063 0.000 2.307 351 E HA 0.490 4.841 4.350 0.001 0.000 0.280 351 E C -2.110 174.566 176.600 0.125 0.000 0.900 351 E CA -0.866 55.471 56.400 -0.106 0.000 0.790 351 E CB 1.710 30.953 29.700 -0.761 0.000 1.261 351 E HN 0.044 nan 8.360 nan 0.000 0.405 352 F N 2.691 122.595 119.950 -0.077 0.000 2.672 352 F HA 0.745 5.273 4.527 0.001 0.000 0.311 352 F C -1.147 174.392 175.800 -0.435 0.000 1.113 352 F CA 0.027 57.820 58.000 -0.346 0.000 0.996 352 F CB 1.654 40.400 39.000 -0.423 0.000 1.286 352 F HN 0.517 nan 8.300 nan 0.000 0.441 353 G N 3.944 111.989 108.800 -1.258 0.000 2.451 353 G HA2 0.627 4.588 3.960 0.001 0.000 0.292 353 G HA3 0.627 4.588 3.960 0.001 0.000 0.292 353 G C -2.311 172.083 174.900 -0.843 0.000 1.427 353 G CA -0.341 44.034 45.100 -1.209 0.000 0.792 353 G HN 1.638 nan 8.290 nan 0.000 0.498 354 L N -2.356 118.367 121.223 -0.834 0.000 2.999 354 L HA 0.727 5.068 4.340 0.001 0.000 0.274 354 L C -1.755 174.361 176.870 -1.256 0.000 1.044 354 L CA -1.100 52.930 54.840 -1.350 0.000 0.943 354 L CB 1.990 43.658 42.059 -0.651 0.000 1.522 354 L HN 0.518 nan 8.230 nan 0.000 0.400 355 D N 1.668 121.337 120.400 -1.219 0.000 2.349 355 D HA 0.090 4.731 4.640 0.001 0.000 0.266 355 D C 1.273 177.457 176.300 -0.193 0.000 1.293 355 D CA 0.688 54.399 54.000 -0.481 0.000 0.926 355 D CB 1.520 42.253 40.800 -0.112 0.000 1.090 355 D HN 0.746 nan 8.370 nan 0.000 0.502 356 T N -0.307 114.211 114.554 -0.059 0.000 3.007 356 T HA -0.167 4.184 4.350 0.001 0.000 0.270 356 T C 1.620 176.325 174.700 0.008 0.000 1.107 356 T CA 1.380 63.477 62.100 -0.006 0.000 1.118 356 T CB -0.388 68.494 68.868 0.023 0.000 0.889 356 T HN 0.408 nan 8.240 nan 0.000 0.506 357 T N -0.076 114.492 114.554 0.023 0.000 3.148 357 T HA 0.322 4.673 4.350 0.001 0.000 0.253 357 T C 0.578 175.289 174.700 0.019 0.000 1.134 357 T CA -0.357 61.761 62.100 0.031 0.000 1.051 357 T CB -0.691 68.209 68.868 0.053 0.000 0.959 357 T HN 0.402 nan 8.240 nan 0.000 0.525 358 L N 2.255 123.478 121.223 -0.001 0.000 2.331 358 L HA 0.401 4.742 4.340 0.001 0.000 0.278 358 L C -2.243 174.624 176.870 -0.005 0.000 1.106 358 L CA -2.470 52.365 54.840 -0.009 0.000 0.824 358 L CB 0.340 42.376 42.059 -0.039 0.000 1.142 358 L HN -0.047 nan 8.230 nan 0.000 0.443 359 P HA 0.052 nan 4.420 nan 0.000 0.266 359 P C 0.789 178.091 177.300 0.004 0.000 1.195 359 P CA 0.551 63.655 63.100 0.006 0.000 0.768 359 P CB 0.750 32.454 31.700 0.006 0.000 0.838 360 G N 1.862 110.673 108.800 0.017 0.000 2.179 360 G HA2 -0.324 3.637 3.960 0.001 0.000 0.260 360 G HA3 -0.324 3.637 3.960 0.001 0.000 0.260 360 G C 1.165 176.102 174.900 0.062 0.000 0.977 360 G CA 0.543 45.662 45.100 0.032 0.000 0.641 360 G HN 0.686 nan 8.290 nan 0.000 0.533 361 A N 0.377 123.226 122.820 0.049 0.000 1.858 361 A HA 0.069 4.390 4.320 0.001 0.000 0.216 361 A C 2.182 179.849 177.584 0.139 0.000 1.190 361 A CA 2.494 54.582 52.037 0.084 0.000 0.617 361 A CB -0.535 18.484 19.000 0.033 0.000 0.827 361 A HN 0.688 nan 8.150 nan 0.000 0.443 362 R N -0.394 120.156 120.500 0.085 0.000 2.091 362 R HA -0.194 4.147 4.340 0.001 0.000 0.238 362 R C 1.576 177.928 176.300 0.086 0.000 1.136 362 R CA 2.016 58.160 56.100 0.073 0.000 0.959 362 R CB -0.438 29.883 30.300 0.036 0.000 0.856 362 R HN 0.461 nan 8.270 nan 0.000 0.437 363 D N -0.687 119.764 120.400 0.085 0.000 2.123 363 D HA -0.213 4.427 4.640 0.001 0.000 0.196 363 D C 1.512 177.878 176.300 0.110 0.000 0.992 363 D CA 1.365 55.412 54.000 0.078 0.000 0.833 363 D CB -0.352 40.489 40.800 0.068 0.000 0.954 363 D HN 0.324 nan 8.370 nan 0.000 0.455 364 Y N 1.022 121.343 120.300 0.035 0.000 2.145 364 Y HA -0.135 4.416 4.550 0.001 0.000 0.286 364 Y C 2.064 178.028 175.900 0.108 0.000 1.145 364 Y CA 1.242 59.369 58.100 0.044 0.000 1.148 364 Y CB -0.425 38.056 38.460 0.035 0.000 0.981 364 Y HN -0.062 nan 8.280 nan 0.000 0.507 365 I N 0.459 121.099 120.570 0.116 0.000 2.127 365 I HA -0.352 3.819 4.170 0.001 0.000 0.241 365 I C 2.344 178.547 176.117 0.144 0.000 1.075 365 I CA 2.057 63.499 61.300 0.237 0.000 1.334 365 I CB -0.521 37.675 38.000 0.326 0.000 1.040 365 I HN 0.300 nan 8.210 nan 0.000 0.405 366 E N 0.208 120.451 120.200 0.072 0.000 2.118 366 E HA -0.300 4.051 4.350 0.001 0.000 0.195 366 E C 2.211 178.796 176.600 -0.026 0.000 0.992 366 E CA 1.305 57.724 56.400 0.033 0.000 0.804 366 E CB -0.131 29.574 29.700 0.009 0.000 0.741 366 E HN 0.297 nan 8.360 nan 0.000 0.458 367 R N 0.769 121.214 120.500 -0.091 0.000 2.092 367 R HA -0.100 4.241 4.340 0.001 0.000 0.231 367 R C 2.053 178.200 176.300 -0.254 0.000 1.119 367 R CA 1.035 57.053 56.100 -0.137 0.000 0.970 367 R CB -0.490 29.751 30.300 -0.098 0.000 0.864 367 R HN -0.019 nan 8.270 nan 0.000 0.440 368 V N 0.230 119.868 119.914 -0.460 0.000 2.295 368 V HA -0.252 3.869 4.120 0.001 0.000 0.246 368 V C 1.882 177.655 176.094 -0.534 0.000 1.049 368 V CA 1.947 63.818 62.300 -0.716 0.000 1.024 368 V CB -0.682 30.274 31.823 -1.446 0.000 0.648 368 V HN 0.318 nan 8.190 nan 0.000 0.447 369 Y N 1.210 121.304 120.300 -0.343 0.000 2.224 369 Y HA -0.085 4.465 4.550 0.001 0.000 0.289 369 Y C 2.532 178.326 175.900 -0.176 0.000 1.146 369 Y CA 1.571 59.550 58.100 -0.203 0.000 1.182 369 Y CB -0.949 37.446 38.460 -0.108 0.000 0.983 369 Y HN 0.277 nan 8.280 nan 0.000 0.524 370 G N -1.344 107.426 108.800 -0.051 0.000 2.422 370 G HA2 -0.229 3.732 3.960 0.001 0.000 0.218 370 G HA3 -0.229 3.732 3.960 0.001 0.000 0.218 370 G C 1.748 176.573 174.900 -0.126 0.000 1.146 370 G CA 1.568 46.597 45.100 -0.117 0.000 0.769 370 G HN 0.307 nan 8.290 nan 0.000 0.547 371 T N 1.551 116.027 114.554 -0.130 0.000 2.777 371 T HA 0.036 4.387 4.350 0.001 0.000 0.266 371 T C 2.840 177.504 174.700 -0.059 0.000 1.040 371 T CA 1.462 63.510 62.100 -0.087 0.000 1.141 371 T CB -0.364 68.453 68.868 -0.086 0.000 0.868 371 T HN 0.366 nan 8.240 nan 0.000 0.444 372 A N 1.805 124.558 122.820 -0.112 0.000 1.883 372 A HA -0.165 4.155 4.320 0.001 0.000 0.217 372 A C 2.267 179.848 177.584 -0.006 0.000 1.186 372 A CA 2.066 54.063 52.037 -0.067 0.000 0.624 372 A CB -0.653 18.243 19.000 -0.174 0.000 0.822 372 A HN 0.460 nan 8.150 nan 0.000 0.444 373 R N -0.074 120.406 120.500 -0.034 0.000 2.080 373 R HA -0.198 4.143 4.340 0.001 0.000 0.236 373 R C 2.073 178.335 176.300 -0.063 0.000 1.137 373 R CA 1.999 58.060 56.100 -0.064 0.000 0.943 373 R CB -0.415 29.654 30.300 -0.385 0.000 0.846 373 R HN 0.675 nan 8.270 nan 0.000 0.431 374 E N -0.001 120.140 120.200 -0.099 0.000 2.130 374 E HA -0.230 4.121 4.350 0.001 0.000 0.196 374 E C 1.935 178.530 176.600 -0.008 0.000 0.998 374 E CA 1.712 58.079 56.400 -0.056 0.000 0.806 374 E CB -0.116 29.548 29.700 -0.060 0.000 0.738 374 E HN 0.484 nan 8.360 nan 0.000 0.459 375 M N -0.680 118.918 119.600 -0.004 0.000 2.618 375 M HA 0.071 4.552 4.480 0.001 0.000 0.240 375 M C 1.091 177.366 176.300 -0.042 0.000 1.123 375 M CA 0.657 55.949 55.300 -0.014 0.000 1.060 375 M CB 0.466 33.066 32.600 0.000 0.000 1.535 375 M HN 0.250 nan 8.290 nan 0.000 0.507 376 G N 1.376 110.188 108.800 0.020 0.000 2.198 376 G HA2 -0.204 3.757 3.960 0.001 0.000 0.260 376 G HA3 -0.204 3.757 3.960 0.001 0.000 0.260 376 G C 0.030 174.881 174.900 -0.082 0.000 1.025 376 G CA 0.184 45.275 45.100 -0.015 0.000 0.769 376 G HN 0.684 nan 8.290 nan 0.000 0.507 377 A N -0.355 122.468 122.820 0.005 0.000 2.304 377 A HA 0.875 5.196 4.320 0.001 0.000 0.301 377 A C 1.030 178.618 177.584 0.007 0.000 1.132 377 A CA 0.518 52.544 52.037 -0.019 0.000 0.819 377 A CB 0.963 19.973 19.000 0.016 0.000 1.094 377 A HN 1.683 nan 8.150 nan 0.000 0.492 378 G N -0.592 108.171 108.800 -0.062 0.000 2.572 378 G HA2 0.513 4.473 3.960 0.001 0.000 0.261 378 G HA3 0.513 4.473 3.960 0.001 0.000 0.261 378 G C -0.794 174.080 174.900 -0.044 0.000 1.197 378 G CA -0.233 44.797 45.100 -0.117 0.000 0.870 378 G HN 1.016 nan 8.290 nan 0.000 0.548 379 V N 0.419 120.342 119.914 0.015 0.000 2.612 379 V HA 0.491 4.612 4.120 0.001 0.000 0.301 379 V C -0.333 175.932 176.094 0.286 0.000 1.059 379 V CA -0.872 61.477 62.300 0.082 0.000 0.886 379 V CB 1.885 33.652 31.823 -0.093 0.000 1.007 379 V HN 1.031 nan 8.190 nan 0.000 0.426 380 S N 3.983 119.881 115.700 0.329 0.000 2.566 380 S HA 0.624 5.095 4.470 0.001 0.000 0.324 380 S C -0.957 173.804 174.600 0.270 0.000 1.081 380 S CA -0.622 57.775 58.200 0.329 0.000 1.105 380 S CB 0.899 64.300 63.200 0.335 0.000 0.981 380 S HN 0.673 nan 8.310 nan 0.000 0.464 381 Y N 3.809 124.155 120.300 0.078 0.000 2.425 381 Y HA 0.264 4.815 4.550 0.001 0.000 0.331 381 Y C -0.069 175.985 175.900 0.257 0.000 1.157 381 Y CA -0.335 57.836 58.100 0.117 0.000 1.372 381 Y CB 0.533 38.938 38.460 -0.091 0.000 1.253 381 Y HN 0.840 nan 8.280 nan 0.000 0.536 382 W N 8.609 129.690 121.300 -0.365 0.000 2.311 382 W HA 0.435 5.095 4.660 0.001 0.000 0.317 382 W C -1.093 175.496 176.519 0.117 0.000 1.065 382 W CA -0.094 57.229 57.345 -0.036 0.000 1.364 382 W CB 0.689 30.192 29.460 0.072 0.000 1.233 382 W HN 0.785 nan 8.180 nan 0.000 0.409 383 S N 1.522 117.280 115.700 0.096 0.000 2.752 383 S HA 0.279 4.750 4.470 0.001 0.000 0.284 383 S C 0.569 175.228 174.600 0.098 0.000 1.189 383 S CA -0.039 58.063 58.200 -0.164 0.000 0.835 383 S CB 1.270 63.713 63.200 -1.262 0.000 1.192 383 S HN 0.335 nan 8.310 nan 0.000 0.506 384 S N -0.573 115.067 115.700 -0.099 0.000 2.562 384 S HA 0.147 4.617 4.470 0.001 0.000 0.221 384 S C -0.083 174.450 174.600 -0.111 0.000 0.975 384 S CA 0.212 58.268 58.200 -0.239 0.000 0.918 384 S CB -1.050 61.972 63.200 -0.297 0.000 0.772 384 S HN 0.698 nan 8.310 nan 0.000 0.531 385 D N 3.810 124.114 120.400 -0.159 0.000 2.449 385 D HA 0.248 4.888 4.640 0.001 0.000 0.236 385 D C -2.573 173.717 176.300 -0.018 0.000 1.149 385 D CA -0.579 53.361 54.000 -0.102 0.000 0.878 385 D CB 0.128 40.820 40.800 -0.180 0.000 1.198 385 D HN 0.213 nan 8.370 nan 0.000 0.446 386 P HA 0.305 nan 4.420 nan 0.000 0.267 386 P C -0.054 177.273 177.300 0.044 0.000 1.205 386 P CA 0.037 63.166 63.100 0.050 0.000 0.765 386 P CB 1.015 32.737 31.700 0.036 0.000 0.828 387 G N 3.789 112.640 108.800 0.086 0.000 2.337 387 G HA2 0.131 4.091 3.960 0.001 0.000 0.298 387 G HA3 0.131 4.091 3.960 0.001 0.000 0.298 387 G C -2.724 172.281 174.900 0.176 0.000 1.335 387 G CA -0.777 44.388 45.100 0.109 0.000 0.875 387 G HN 0.158 nan 8.290 nan 0.000 0.579 388 P HA 0.001 nan 4.420 nan 0.000 0.228 388 P C 0.829 178.337 177.300 0.347 0.000 1.151 388 P CA 0.953 64.202 63.100 0.248 0.000 0.770 388 P CB 0.143 31.986 31.700 0.239 0.000 0.786 389 W N 1.067 122.441 121.300 0.123 0.000 2.523 389 W HA 0.230 4.891 4.660 0.001 0.000 0.278 389 W C 1.813 178.474 176.519 0.237 0.000 1.236 389 W CA 0.943 58.407 57.345 0.199 0.000 1.306 389 W CB -1.174 28.422 29.460 0.226 0.000 1.101 389 W HN -0.124 nan 8.180 nan 0.000 0.577 390 G N 0.478 109.500 108.800 0.371 0.000 2.563 390 G HA2 0.218 4.178 3.960 0.001 0.000 0.283 390 G HA3 0.218 4.178 3.960 0.001 0.000 0.283 390 G C -1.655 173.248 174.900 0.006 0.000 1.309 390 G CA -0.685 44.536 45.100 0.202 0.000 1.022 390 G HN -0.175 nan 8.290 nan 0.000 0.501 391 P HA 0.051 nan 4.420 nan 0.000 0.229 391 P C -0.772 176.095 177.300 -0.722 0.000 1.160 391 P CA 0.919 63.726 63.100 -0.489 0.000 0.777 391 P CB 0.153 31.424 31.700 -0.714 0.000 0.814 392 Y N -1.089 119.196 120.300 -0.026 0.000 2.457 392 Y HA 0.355 4.906 4.550 0.001 0.000 0.343 392 Y C 0.778 176.683 175.900 0.008 0.000 0.994 392 Y CA -1.256 56.837 58.100 -0.012 0.000 1.031 392 Y CB 1.170 39.611 38.460 -0.032 0.000 1.246 392 Y HN -0.318 nan 8.280 nan 0.000 0.449 393 L N 4.155 125.470 121.223 0.153 0.000 2.472 393 L HA 0.182 4.523 4.340 0.001 0.000 0.260 393 L C -1.378 175.549 176.870 0.094 0.000 1.209 393 L CA -1.541 53.363 54.840 0.107 0.000 0.817 393 L CB 0.362 42.470 42.059 0.081 0.000 1.106 393 L HN 0.436 nan 8.230 nan 0.000 0.479 394 P HA -0.198 nan 4.420 nan 0.000 0.217 394 P C 0.629 177.940 177.300 0.019 0.000 1.151 394 P CA 1.316 64.436 63.100 0.034 0.000 0.849 394 P CB -0.047 31.668 31.700 0.024 0.000 0.787 395 D N -2.049 118.366 120.400 0.025 0.000 2.363 395 D HA 0.052 4.693 4.640 0.001 0.000 0.226 395 D C 1.380 177.683 176.300 0.005 0.000 1.020 395 D CA 0.825 54.831 54.000 0.011 0.000 0.892 395 D CB -0.974 39.834 40.800 0.014 0.000 0.900 395 D HN 0.264 nan 8.370 nan 0.000 0.531 396 G N -0.867 107.946 108.800 0.022 0.000 2.176 396 G HA2 -0.237 3.724 3.960 0.001 0.000 0.232 396 G HA3 -0.237 3.724 3.960 0.001 0.000 0.232 396 G C 0.297 175.262 174.900 0.109 0.000 0.986 396 G CA 0.144 45.247 45.100 0.005 0.000 0.643 396 G HN 0.439 nan 8.290 nan 0.000 0.522 397 T N 1.987 116.613 114.554 0.120 0.000 2.851 397 T HA 0.440 4.790 4.350 0.001 0.000 0.298 397 T C 0.593 175.397 174.700 0.173 0.000 0.977 397 T CA 0.048 62.223 62.100 0.125 0.000 1.126 397 T CB 1.212 70.124 68.868 0.075 0.000 0.916 397 T HN 0.417 nan 8.240 nan 0.000 0.529 398 Q N 2.042 121.934 119.800 0.153 0.000 2.364 398 Q HA 0.260 4.601 4.340 0.001 0.000 0.267 398 Q C 0.995 176.982 176.000 -0.022 0.000 0.999 398 Q CA -0.270 55.553 55.803 0.032 0.000 0.886 398 Q CB 0.571 29.317 28.738 0.014 0.000 1.243 398 Q HN 0.798 nan 8.270 nan 0.000 0.415 399 T N -1.263 113.232 114.554 -0.097 0.000 2.862 399 T HA 0.196 4.546 4.350 0.001 0.000 0.276 399 T C 1.032 175.692 174.700 -0.067 0.000 0.974 399 T CA -0.822 61.245 62.100 -0.054 0.000 0.966 399 T CB 0.528 69.373 68.868 -0.039 0.000 1.072 399 T HN 0.704 nan 8.240 nan 0.000 0.538 400 L N 0.205 121.405 121.223 -0.037 0.000 2.261 400 L HA -0.007 4.334 4.340 0.001 0.000 0.216 400 L C 2.191 179.024 176.870 -0.061 0.000 1.114 400 L CA 1.233 56.053 54.840 -0.034 0.000 0.777 400 L CB -0.605 41.448 42.059 -0.011 0.000 0.910 400 L HN 0.675 nan 8.230 nan 0.000 0.440 401 L N -0.672 120.494 121.223 -0.095 0.000 2.042 401 L HA -0.183 4.158 4.340 0.001 0.000 0.210 401 L C 2.355 179.141 176.870 -0.140 0.000 1.076 401 L CA 1.743 56.496 54.840 -0.145 0.000 0.749 401 L CB -0.508 41.423 42.059 -0.212 0.000 0.893 401 L HN 0.113 nan 8.230 nan 0.000 0.432 402 V N -0.154 119.669 119.914 -0.151 0.000 2.231 402 V HA -0.357 3.764 4.120 0.001 0.000 0.248 402 V C 2.255 178.319 176.094 -0.050 0.000 1.054 402 V CA 2.204 64.434 62.300 -0.117 0.000 1.015 402 V CB -0.782 30.946 31.823 -0.159 0.000 0.638 402 V HN 0.457 nan 8.190 nan 0.000 0.444 403 D N -0.342 120.037 120.400 -0.036 0.000 2.178 403 D HA -0.128 4.513 4.640 0.001 0.000 0.201 403 D C 2.238 178.523 176.300 -0.025 0.000 0.980 403 D CA 1.749 55.743 54.000 -0.009 0.000 0.842 403 D CB -0.374 40.425 40.800 -0.002 0.000 0.948 403 D HN 0.455 nan 8.370 nan 0.000 0.472 404 T N 0.682 115.201 114.554 -0.059 0.000 2.821 404 T HA -0.013 4.337 4.350 0.001 0.000 0.267 404 T C 2.094 176.708 174.700 -0.143 0.000 1.046 404 T CA 0.537 62.586 62.100 -0.084 0.000 1.139 404 T CB 0.004 68.817 68.868 -0.091 0.000 0.871 404 T HN 0.157 nan 8.240 nan 0.000 0.454 405 L N 0.620 121.743 121.223 -0.167 0.000 2.375 405 L HA 0.202 4.543 4.340 0.001 0.000 0.215 405 L C 1.144 177.962 176.870 -0.087 0.000 1.108 405 L CA 0.164 54.858 54.840 -0.242 0.000 0.830 405 L CB -0.306 41.602 42.059 -0.251 0.000 0.959 405 L HN 0.128 nan 8.230 nan 0.000 0.457 406 N N 1.819 120.526 118.700 0.012 0.000 2.971 406 N HA 0.033 4.773 4.740 0.001 0.000 0.294 406 N C -0.671 174.955 175.510 0.192 0.000 1.210 406 N CA 0.375 53.509 53.050 0.141 0.000 1.157 406 N CB 0.094 38.663 38.487 0.138 0.000 1.450 406 N HN -0.030 nan 8.380 nan 0.000 0.527 407 K N 1.640 122.179 120.400 0.232 0.000 2.328 407 K HA 0.539 4.859 4.320 0.001 0.000 0.246 407 K C -2.630 174.209 176.600 0.398 0.000 0.955 407 K CA -2.175 54.262 56.287 0.250 0.000 0.817 407 K CB 1.242 33.849 32.500 0.180 0.000 1.208 407 K HN 0.164 nan 8.250 nan 0.000 0.432 408 P HA 0.080 nan 4.420 nan 0.000 0.269 408 P C -1.087 176.426 177.300 0.355 0.000 1.209 408 P CA 0.198 63.410 63.100 0.187 0.000 0.776 408 P CB 0.073 31.791 31.700 0.031 0.000 0.876 409 Y N 0.072 120.377 120.300 0.008 0.000 2.558 409 Y HA 0.645 5.196 4.550 0.001 0.000 0.333 409 Y C -3.286 172.371 175.900 -0.405 0.000 1.125 409 Y CA -3.627 54.289 58.100 -0.306 0.000 1.039 409 Y CB 0.233 38.606 38.460 -0.145 0.000 1.331 409 Y HN 0.157 nan 8.280 nan 0.000 0.456 410 P HA 0.420 nan 4.420 nan 0.000 0.282 410 P C -0.253 176.730 177.300 -0.529 0.000 1.262 410 P CA -0.220 62.509 63.100 -0.618 0.000 0.773 410 P CB 1.581 32.905 31.700 -0.626 0.000 0.879 411 R N 2.637 122.843 120.500 -0.491 0.000 2.064 411 R HA 0.335 4.675 4.340 0.001 0.000 0.221 411 R C 0.399 176.592 176.300 -0.179 0.000 1.136 411 R CA 0.805 56.717 56.100 -0.313 0.000 0.980 411 R CB 0.110 30.229 30.300 -0.302 0.000 0.876 411 R HN 0.490 nan 8.270 nan 0.000 0.437 412 A N 0.939 123.645 122.820 -0.190 0.000 2.411 412 A HA 0.495 4.815 4.320 0.001 0.000 0.285 412 A C -1.022 176.461 177.584 -0.168 0.000 1.129 412 A CA -0.573 51.375 52.037 -0.149 0.000 0.736 412 A CB 1.502 20.445 19.000 -0.095 0.000 1.186 412 A HN -0.019 nan 8.150 nan 0.000 0.445 413 V N 2.147 121.945 119.914 -0.194 0.000 2.394 413 V HA 0.525 4.646 4.120 0.001 0.000 0.282 413 V C 0.989 177.000 176.094 -0.137 0.000 1.031 413 V CA -0.083 62.103 62.300 -0.190 0.000 0.881 413 V CB 1.503 33.175 31.823 -0.252 0.000 0.982 413 V HN 1.147 nan 8.190 nan 0.000 0.451 414 A N 4.401 127.158 122.820 -0.105 0.000 3.052 414 A HA 0.631 4.952 4.320 0.001 0.000 0.266 414 A C 0.966 178.511 177.584 -0.065 0.000 1.855 414 A CA 0.770 52.764 52.037 -0.071 0.000 1.473 414 A CB -1.158 17.807 19.000 -0.057 0.000 1.038 414 A HN 1.747 nan 8.150 nan 0.000 0.619 415 G N -0.480 108.278 108.800 -0.070 0.000 2.347 415 G HA2 0.203 4.163 3.960 0.001 0.000 0.341 415 G HA3 0.203 4.163 3.960 0.001 0.000 0.341 415 G C -0.491 174.354 174.900 -0.092 0.000 1.287 415 G CA -0.466 44.599 45.100 -0.058 0.000 0.984 415 G HN 0.542 nan 8.290 nan 0.000 0.526 416 T N 3.588 118.108 114.554 -0.056 0.000 2.749 416 T HA 0.561 4.911 4.350 0.001 0.000 0.295 416 T C -2.229 172.426 174.700 -0.075 0.000 0.936 416 T CA -0.503 61.557 62.100 -0.066 0.000 1.060 416 T CB 1.495 70.393 68.868 0.051 0.000 0.904 416 T HN 0.488 nan 8.240 nan 0.000 0.500 417 P HA 0.136 nan 4.420 nan 0.000 0.276 417 P C 0.932 178.298 177.300 0.110 0.000 1.264 417 P CA -0.230 62.841 63.100 -0.048 0.000 0.769 417 P CB 0.757 32.386 31.700 -0.119 0.000 0.840 418 T N 0.469 115.090 114.554 0.112 0.000 2.939 418 T HA 0.125 4.476 4.350 0.001 0.000 0.254 418 T C 0.321 175.104 174.700 0.139 0.000 1.041 418 T CA 0.485 62.657 62.100 0.121 0.000 1.142 418 T CB -0.012 68.902 68.868 0.077 0.000 0.874 418 T HN 0.420 nan 8.240 nan 0.000 0.452 419 E N 0.109 120.404 120.200 0.158 0.000 2.363 419 E HA 0.474 4.825 4.350 0.001 0.000 0.281 419 E C -1.566 175.190 176.600 0.261 0.000 0.953 419 E CA -1.141 55.346 56.400 0.145 0.000 0.778 419 E CB 2.254 31.997 29.700 0.071 0.000 1.220 419 E HN 0.544 nan 8.360 nan 0.000 0.431 420 W N 0.556 121.875 121.300 0.032 0.000 3.074 420 W HA 0.731 5.392 4.660 0.001 0.000 0.332 420 W C -1.380 175.161 176.519 0.037 0.000 1.253 420 W CA -0.970 56.392 57.345 0.028 0.000 1.180 420 W CB 0.857 30.333 29.460 0.028 0.000 1.445 420 W HN 0.571 nan 8.180 nan 0.000 0.573 421 S N 0.701 116.539 115.700 0.230 0.000 2.579 421 S HA 0.786 5.257 4.470 0.001 0.000 0.272 421 S C -0.941 173.824 174.600 0.274 0.000 1.141 421 S CA -0.541 57.690 58.200 0.051 0.000 0.843 421 S CB 1.734 64.938 63.200 0.008 0.000 1.122 421 S HN 1.249 nan 8.310 nan 0.000 0.468 422 S N 0.146 115.961 115.700 0.193 0.000 2.543 422 S HA 0.808 5.279 4.470 0.001 0.000 0.271 422 S C -0.399 174.289 174.600 0.145 0.000 1.148 422 S CA -0.182 58.163 58.200 0.241 0.000 0.914 422 S CB 1.273 64.715 63.200 0.404 0.000 1.096 422 S HN 1.570 nan 8.310 nan 0.000 0.471 423 T N -0.733 113.901 114.554 0.133 0.000 2.870 423 T HA 0.583 4.934 4.350 0.001 0.000 0.277 423 T C 1.442 176.216 174.700 0.123 0.000 1.000 423 T CA -0.033 62.124 62.100 0.095 0.000 0.982 423 T CB 0.833 69.734 68.868 0.055 0.000 1.249 423 T HN 1.333 nan 8.240 nan 0.000 0.589 424 S N -0.125 115.623 115.700 0.080 0.000 2.474 424 S HA -0.055 4.416 4.470 0.001 0.000 0.235 424 S C 0.748 175.386 174.600 0.064 0.000 0.997 424 S CA 1.067 59.319 58.200 0.087 0.000 0.949 424 S CB -0.676 62.550 63.200 0.043 0.000 0.766 424 S HN 0.910 nan 8.310 nan 0.000 0.517 425 D N -0.381 120.004 120.400 -0.025 0.000 2.673 425 D HA 0.271 4.912 4.640 0.001 0.000 0.278 425 D C 0.082 176.297 176.300 -0.141 0.000 1.393 425 D CA -0.410 53.396 54.000 -0.324 0.000 0.805 425 D CB -0.195 40.391 40.800 -0.358 0.000 1.110 425 D HN 0.383 nan 8.370 nan 0.000 0.476 426 R N 0.058 120.663 120.500 0.175 0.000 2.536 426 R HA 0.568 4.908 4.340 0.001 0.000 0.269 426 R C -2.248 174.193 176.300 0.234 0.000 1.113 426 R CA -0.768 55.462 56.100 0.217 0.000 0.948 426 R CB 1.609 31.966 30.300 0.096 0.000 1.237 426 R HN 0.128 nan 8.270 nan 0.000 0.441 427 L N 2.943 124.281 121.223 0.192 0.000 2.385 427 L HA 0.540 4.880 4.340 0.001 0.000 0.273 427 L C -1.325 175.604 176.870 0.097 0.000 0.990 427 L CA -0.299 54.622 54.840 0.135 0.000 0.821 427 L CB 1.987 44.070 42.059 0.040 0.000 1.279 427 L HN 0.730 nan 8.230 nan 0.000 0.412 428 Q N 3.873 123.756 119.800 0.139 0.000 2.356 428 Q HA 0.652 4.993 4.340 0.001 0.000 0.270 428 Q C -2.020 174.077 176.000 0.162 0.000 1.058 428 Q CA -0.817 55.051 55.803 0.108 0.000 0.802 428 Q CB 2.400 31.191 28.738 0.089 0.000 1.303 428 Q HN 0.657 nan 8.270 nan 0.000 0.444 429 L N 2.155 123.437 121.223 0.098 0.000 2.464 429 L HA 0.575 4.915 4.340 0.001 0.000 0.266 429 L C -1.527 175.379 176.870 0.059 0.000 0.965 429 L CA 0.105 55.010 54.840 0.107 0.000 0.833 429 L CB 2.621 44.679 42.059 -0.003 0.000 1.296 429 L HN 0.598 nan 8.230 nan 0.000 0.405 430 T N 6.171 120.773 114.554 0.081 0.000 2.771 430 T HA 0.685 5.035 4.350 0.001 0.000 0.281 430 T C -0.232 174.486 174.700 0.029 0.000 0.982 430 T CA -0.066 62.061 62.100 0.045 0.000 0.978 430 T CB 0.712 69.611 68.868 0.051 0.000 0.930 430 T HN 0.445 nan 8.240 nan 0.000 0.447 431 I N 2.174 122.745 120.570 0.002 0.000 2.441 431 I HA 0.358 4.528 4.170 0.001 0.000 0.295 431 I C 0.441 176.555 176.117 -0.005 0.000 0.994 431 I CA -0.816 60.475 61.300 -0.016 0.000 1.144 431 I CB 1.946 39.921 38.000 -0.041 0.000 1.314 431 I HN 0.508 nan 8.210 nan 0.000 0.445 432 E N 7.781 127.980 120.200 -0.002 0.000 2.089 432 E HA 0.283 4.634 4.350 0.001 0.000 0.284 432 E C -2.259 174.339 176.600 -0.003 0.000 1.023 432 E CA -1.958 54.446 56.400 0.006 0.000 0.819 432 E CB 0.965 30.677 29.700 0.021 0.000 1.076 432 E HN 0.249 nan 8.360 nan 0.000 0.396 433 P HA 0.029 nan 4.420 nan 0.000 0.269 433 P C -0.737 176.560 177.300 -0.005 0.000 1.215 433 P CA 0.113 63.208 63.100 -0.009 0.000 0.780 433 P CB 0.698 32.395 31.700 -0.006 0.000 0.898 434 D N 0.591 120.986 120.400 -0.008 0.000 2.386 434 D HA 0.359 5.000 4.640 0.001 0.000 0.247 434 D C 0.685 176.983 176.300 -0.004 0.000 1.336 434 D CA -0.686 53.312 54.000 -0.003 0.000 0.976 434 D CB 1.134 41.933 40.800 -0.001 0.000 1.257 434 D HN 0.213 nan 8.370 nan 0.000 0.570 435 A N 2.845 125.664 122.820 -0.001 0.000 2.121 435 A HA 0.159 4.480 4.320 0.001 0.000 0.218 435 A C 1.906 179.490 177.584 -0.000 0.000 1.154 435 A CA 1.447 53.483 52.037 -0.002 0.000 0.679 435 A CB -0.105 18.895 19.000 -0.000 0.000 0.795 435 A HN 0.556 nan 8.150 nan 0.000 0.458 436 A N -0.438 122.384 122.820 0.003 0.000 2.119 436 A HA 0.266 4.587 4.320 0.001 0.000 0.216 436 A C 0.890 178.476 177.584 0.004 0.000 1.152 436 A CA 0.141 52.181 52.037 0.005 0.000 0.708 436 A CB -0.347 18.659 19.000 0.009 0.000 0.805 436 A HN 0.450 nan 8.150 nan 0.000 0.460 437 I N 1.250 121.821 120.570 0.000 0.000 2.396 437 I HA 0.067 4.238 4.170 0.001 0.000 0.289 437 I C 1.572 177.685 176.117 -0.006 0.000 1.056 437 I CA 0.207 61.505 61.300 -0.003 0.000 1.365 437 I CB 1.484 39.478 38.000 -0.011 0.000 1.407 437 I HN 0.330 nan 8.210 nan 0.000 0.509 438 T N 1.827 116.379 114.554 -0.003 0.000 3.015 438 T HA 0.254 4.605 4.350 0.001 0.000 0.250 438 T C 0.898 175.594 174.700 -0.008 0.000 1.057 438 T CA -0.104 61.993 62.100 -0.005 0.000 1.066 438 T CB 0.234 69.102 68.868 -0.000 0.000 0.959 438 T HN 0.560 nan 8.240 nan 0.000 0.488 439 A N 3.981 126.797 122.820 -0.008 0.000 2.483 439 A HA 0.535 4.856 4.320 0.001 0.000 0.238 439 A C -1.930 175.641 177.584 -0.022 0.000 1.070 439 A CA -1.256 50.775 52.037 -0.011 0.000 0.770 439 A CB -0.193 18.802 19.000 -0.009 0.000 1.008 439 A HN 0.376 nan 8.150 nan 0.000 0.497 440 P HA 0.167 nan 4.420 nan 0.000 0.274 440 P C -0.228 177.040 177.300 -0.053 0.000 1.246 440 P CA -0.132 62.947 63.100 -0.035 0.000 0.795 440 P CB 0.311 31.995 31.700 -0.027 0.000 1.006 441 T N 1.456 115.968 114.554 -0.070 0.000 2.870 441 T HA 0.107 4.458 4.350 0.001 0.000 0.300 441 T C 0.175 174.811 174.700 -0.106 0.000 0.989 441 T CA 0.225 62.265 62.100 -0.101 0.000 1.139 441 T CB 0.023 68.821 68.868 -0.117 0.000 0.920 441 T HN 0.407 nan 8.240 nan 0.000 0.537 442 E N 3.454 123.578 120.200 -0.126 0.000 2.165 442 E HA 0.509 4.860 4.350 0.001 0.000 0.266 442 E C -1.117 175.368 176.600 -0.192 0.000 0.889 442 E CA -0.564 55.765 56.400 -0.119 0.000 0.756 442 E CB 0.814 30.462 29.700 -0.087 0.000 1.131 442 E HN 0.531 nan 8.360 nan 0.000 0.411 443 I N 3.969 124.426 120.570 -0.188 0.000 2.545 443 I HA 0.232 4.403 4.170 0.001 0.000 0.292 443 I C -1.071 174.925 176.117 -0.203 0.000 1.040 443 I CA -1.130 60.004 61.300 -0.277 0.000 1.068 443 I CB 1.675 39.497 38.000 -0.295 0.000 1.251 443 I HN 0.549 nan 8.210 nan 0.000 0.424 444 Y N 6.882 126.930 120.300 -0.421 0.000 2.327 444 Y HA 0.656 5.207 4.550 0.001 0.000 0.336 444 Y C -1.319 174.455 175.900 -0.210 0.000 1.035 444 Y CA -0.549 57.393 58.100 -0.263 0.000 1.165 444 Y CB 0.764 39.035 38.460 -0.316 0.000 1.181 444 Y HN 0.339 nan 8.280 nan 0.000 0.494 445 L N 9.422 130.156 121.223 -0.815 0.000 2.343 445 L HA 0.480 4.821 4.340 0.001 0.000 0.278 445 L C -2.488 173.922 176.870 -0.767 0.000 0.996 445 L CA -2.305 52.011 54.840 -0.874 0.000 0.831 445 L CB 1.845 43.278 42.059 -1.044 0.000 1.232 445 L HN 0.546 nan 8.230 nan 0.000 0.413 446 P HA 0.050 nan 4.420 nan 0.000 0.271 446 P C 0.327 177.691 177.300 0.107 0.000 1.218 446 P CA -0.184 62.809 63.100 -0.179 0.000 0.780 446 P CB 1.088 32.806 31.700 0.030 0.000 0.901 447 E N 2.423 122.697 120.200 0.125 0.000 2.152 447 E HA -0.155 4.196 4.350 0.001 0.000 0.192 447 E C 1.883 178.563 176.600 0.134 0.000 0.983 447 E CA 1.173 57.668 56.400 0.157 0.000 0.818 447 E CB -0.470 29.299 29.700 0.115 0.000 0.758 447 E HN 0.459 nan 8.360 nan 0.000 0.467 448 A N 0.562 123.444 122.820 0.105 0.000 1.873 448 A HA -0.180 4.141 4.320 0.001 0.000 0.218 448 A C 2.398 180.003 177.584 0.036 0.000 1.193 448 A CA 2.028 54.105 52.037 0.066 0.000 0.629 448 A CB -1.333 17.703 19.000 0.060 0.000 0.826 448 A HN 0.447 nan 8.150 nan 0.000 0.447 449 G N -2.648 106.181 108.800 0.048 0.000 2.551 449 G HA2 0.252 4.212 3.960 0.001 0.000 0.216 449 G HA3 0.252 4.212 3.960 0.001 0.000 0.216 449 G C 0.216 174.900 174.900 -0.360 0.000 1.137 449 G CA 0.268 45.297 45.100 -0.118 0.000 0.798 449 G HN 0.349 nan 8.290 nan 0.000 0.536 450 F N 1.032 120.989 119.950 0.012 0.000 2.550 450 F HA 0.338 4.866 4.527 0.001 0.000 0.348 450 F C -1.554 174.319 175.800 0.121 0.000 1.219 450 F CA -2.361 55.662 58.000 0.039 0.000 1.203 450 F CB 2.215 41.210 39.000 -0.009 0.000 1.436 450 F HN -0.067 nan 8.300 nan 0.000 0.541 451 P HA 0.090 nan 4.420 nan 0.000 0.231 451 P C 0.908 178.311 177.300 0.173 0.000 1.168 451 P CA 0.830 64.019 63.100 0.148 0.000 0.779 451 P CB 0.931 32.674 31.700 0.071 0.000 0.844 452 G N -0.685 108.245 108.800 0.215 0.000 3.267 452 G HA2 0.176 4.137 3.960 0.001 0.000 0.200 452 G HA3 0.176 4.137 3.960 0.001 0.000 0.200 452 G C -0.712 174.442 174.900 0.422 0.000 1.603 452 G CA 0.073 45.312 45.100 0.232 0.000 0.753 452 G HN 0.024 nan 8.290 nan 0.000 0.755 453 D N -0.374 120.223 120.400 0.328 0.000 2.423 453 D HA 0.470 5.111 4.640 0.001 0.000 0.255 453 D C 0.398 176.792 176.300 0.157 0.000 1.174 453 D CA -0.130 54.082 54.000 0.353 0.000 1.008 453 D CB 1.688 42.620 40.800 0.221 0.000 1.101 453 D HN 0.335 nan 8.370 nan 0.000 0.516 454 V N -0.966 118.915 119.914 -0.055 0.000 2.881 454 V HA 0.495 4.616 4.120 0.001 0.000 0.316 454 V C -0.467 175.639 176.094 0.021 0.000 1.070 454 V CA -0.684 61.532 62.300 -0.141 0.000 0.976 454 V CB 1.807 33.292 31.823 -0.564 0.000 1.038 454 V HN 0.619 nan 8.190 nan 0.000 0.446 455 H N 1.421 120.461 119.070 -0.049 0.000 2.646 455 H HA 0.726 5.283 4.556 0.001 0.000 0.328 455 H C -1.880 173.420 175.328 -0.046 0.000 0.998 455 H CA -0.437 55.590 56.048 -0.035 0.000 1.225 455 H CB 2.052 31.806 29.762 -0.013 0.000 1.457 455 H HN 0.649 nan 8.280 nan 0.000 0.505 456 V N 5.655 125.301 119.914 -0.446 0.000 2.495 456 V HA 0.264 4.385 4.120 0.001 0.000 0.298 456 V C -0.297 175.548 176.094 -0.414 0.000 1.031 456 V CA -0.700 61.389 62.300 -0.351 0.000 0.871 456 V CB 1.924 33.615 31.823 -0.220 0.000 0.988 456 V HN 0.786 nan 8.190 nan 0.000 0.432 457 E N 2.276 122.304 120.200 -0.287 0.000 2.222 457 E HA 0.605 4.955 4.350 0.001 0.000 0.267 457 E C 0.650 177.185 176.600 -0.109 0.000 0.884 457 E CA -0.024 56.266 56.400 -0.185 0.000 0.764 457 E CB 1.918 31.538 29.700 -0.134 0.000 1.169 457 E HN 1.010 nan 8.360 nan 0.000 0.413 458 G N 1.479 110.232 108.800 -0.079 0.000 2.157 458 G HA2 -0.092 3.868 3.960 0.001 0.000 0.239 458 G HA3 -0.092 3.868 3.960 0.001 0.000 0.239 458 G C -0.029 174.836 174.900 -0.058 0.000 0.982 458 G CA -0.014 45.053 45.100 -0.055 0.000 0.650 458 G HN 0.857 nan 8.290 nan 0.000 0.527 459 A N -0.950 121.827 122.820 -0.072 0.000 2.597 459 A HA 0.619 4.940 4.320 0.001 0.000 0.292 459 A C -1.684 175.858 177.584 -0.071 0.000 1.057 459 A CA -0.339 51.657 52.037 -0.068 0.000 0.674 459 A CB 0.904 19.858 19.000 -0.077 0.000 1.278 459 A HN 0.147 nan 8.150 nan 0.000 0.416 460 D N 1.015 121.382 120.400 -0.054 0.000 2.198 460 D HA 0.452 5.093 4.640 0.001 0.000 0.245 460 D C -0.072 176.202 176.300 -0.044 0.000 1.079 460 D CA -0.033 53.940 54.000 -0.044 0.000 0.854 460 D CB 1.827 42.610 40.800 -0.027 0.000 1.148 460 D HN 0.269 nan 8.370 nan 0.000 0.456 461 V N 3.016 122.906 119.914 -0.040 0.000 2.479 461 V HA -0.017 4.103 4.120 0.001 0.000 0.281 461 V C 1.523 177.619 176.094 0.003 0.000 1.031 461 V CA -0.110 62.174 62.300 -0.026 0.000 1.038 461 V CB 1.070 32.885 31.823 -0.015 0.000 0.981 461 V HN 0.401 nan 8.190 nan 0.000 0.478 462 V N 4.116 124.033 119.914 0.006 0.000 2.426 462 V HA 0.346 4.467 4.120 0.001 0.000 0.242 462 V C 1.117 177.235 176.094 0.041 0.000 1.036 462 V CA 1.511 63.821 62.300 0.016 0.000 1.044 462 V CB -0.083 31.743 31.823 0.005 0.000 0.688 462 V HN 0.969 nan 8.190 nan 0.000 0.462 463 G N -1.956 106.885 108.800 0.067 0.000 2.720 463 G HA2 0.462 4.423 3.960 0.001 0.000 0.295 463 G HA3 0.462 4.423 3.960 0.001 0.000 0.295 463 G C -2.166 172.868 174.900 0.225 0.000 1.437 463 G CA -0.455 44.711 45.100 0.111 0.000 0.886 463 G HN 0.145 nan 8.290 nan 0.000 0.509 464 W N 3.355 124.642 121.300 -0.022 0.000 2.521 464 W HA 0.422 5.083 4.660 0.001 0.000 0.310 464 W C -1.585 174.927 176.519 -0.011 0.000 1.000 464 W CA -0.788 56.541 57.345 -0.027 0.000 1.353 464 W CB 1.643 31.089 29.460 -0.024 0.000 1.276 464 W HN 0.450 nan 8.180 nan 0.000 0.417 465 D N 5.258 125.529 120.400 -0.215 0.000 2.411 465 D HA 0.175 4.815 4.640 0.001 0.000 0.225 465 D C 1.118 176.942 176.300 -0.793 0.000 1.156 465 D CA -0.016 53.753 54.000 -0.385 0.000 0.874 465 D CB 1.021 41.745 40.800 -0.127 0.000 1.034 465 D HN 0.529 nan 8.370 nan 0.000 0.502 466 R N 2.203 122.157 120.500 -0.911 0.000 2.307 466 R HA -0.001 4.340 4.340 0.001 0.000 0.199 466 R C 1.610 177.692 176.300 -0.364 0.000 1.000 466 R CA 0.548 56.117 56.100 -0.884 0.000 1.023 466 R CB 0.514 30.427 30.300 -0.645 0.000 0.908 466 R HN 0.519 nan 8.270 nan 0.000 0.473 467 Q N 0.015 119.673 119.800 -0.237 0.000 2.178 467 Q HA -0.029 4.312 4.340 0.001 0.000 0.195 467 Q C 2.097 178.111 176.000 0.024 0.000 0.960 467 Q CA 1.519 57.275 55.803 -0.080 0.000 0.843 467 Q CB 0.278 28.982 28.738 -0.056 0.000 0.927 467 Q HN 0.293 nan 8.270 nan 0.000 0.487 468 S N -0.130 115.592 115.700 0.037 0.000 2.489 468 S HA -0.009 4.461 4.470 0.001 0.000 0.228 468 S C 0.553 175.314 174.600 0.268 0.000 0.995 468 S CA 0.045 58.368 58.200 0.205 0.000 0.934 468 S CB 0.191 63.472 63.200 0.135 0.000 0.771 468 S HN 0.221 nan 8.310 nan 0.000 0.522 469 R N -0.062 120.492 120.500 0.089 0.000 3.776 469 R HA -0.094 4.246 4.340 0.001 0.000 0.312 469 R C -1.028 175.470 176.300 0.329 0.000 1.181 469 R CA 0.565 56.763 56.100 0.162 0.000 0.836 469 R CB -2.938 27.519 30.300 0.262 0.000 1.324 469 R HN 0.548 nan 8.270 nan 0.000 0.501 470 L N 1.070 122.446 121.223 0.255 0.000 2.280 470 L HA 0.439 4.779 4.340 0.001 0.000 0.287 470 L C 0.391 177.467 176.870 0.344 0.000 1.023 470 L CA -1.019 53.967 54.840 0.243 0.000 0.819 470 L CB 1.261 43.407 42.059 0.145 0.000 1.212 470 L HN -0.080 nan 8.230 nan 0.000 0.420 471 L N 4.215 125.597 121.223 0.264 0.000 2.276 471 L HA 0.512 4.852 4.340 0.001 0.000 0.286 471 L C 0.221 177.101 176.870 0.017 0.000 1.061 471 L CA 0.325 55.254 54.840 0.149 0.000 0.807 471 L CB 1.521 43.446 42.059 -0.224 0.000 1.177 471 L HN 0.649 nan 8.230 nan 0.000 0.429 472 T N 3.410 117.985 114.554 0.036 0.000 2.779 472 T HA 0.715 5.066 4.350 0.001 0.000 0.280 472 T C -0.263 174.418 174.700 -0.030 0.000 0.987 472 T CA -0.504 61.590 62.100 -0.010 0.000 0.966 472 T CB 1.244 70.117 68.868 0.008 0.000 0.933 472 T HN 0.708 nan 8.240 nan 0.000 0.442 473 V N 0.651 120.529 119.914 -0.059 0.000 3.001 473 V HA 0.837 4.958 4.120 0.001 0.000 0.314 473 V C -0.539 175.523 176.094 -0.054 0.000 1.099 473 V CA -1.548 60.714 62.300 -0.063 0.000 0.989 473 V CB 2.031 33.799 31.823 -0.092 0.000 1.040 473 V HN 1.122 nan 8.190 nan 0.000 0.434 474 R N 1.464 121.936 120.500 -0.046 0.000 2.534 474 R HA 0.747 5.088 4.340 0.001 0.000 0.301 474 R C -0.535 175.741 176.300 -0.040 0.000 0.961 474 R CA 0.155 56.233 56.100 -0.038 0.000 0.871 474 R CB 1.946 32.230 30.300 -0.026 0.000 1.170 474 R HN 1.155 nan 8.270 nan 0.000 0.446 475 T N 1.547 116.077 114.554 -0.039 0.000 2.885 475 T HA 0.540 4.891 4.350 0.001 0.000 0.285 475 T C -2.346 172.339 174.700 -0.026 0.000 1.019 475 T CA -1.956 60.123 62.100 -0.036 0.000 1.010 475 T CB 1.528 70.371 68.868 -0.041 0.000 1.022 475 T HN 0.373 nan 8.240 nan 0.000 0.466 476 P HA 0.345 nan 4.420 nan 0.000 0.264 476 P C 0.158 177.449 177.300 -0.015 0.000 1.183 476 P CA -0.344 62.747 63.100 -0.016 0.000 0.763 476 P CB 0.379 32.071 31.700 -0.014 0.000 0.807 477 A N 2.355 125.168 122.820 -0.011 0.000 2.343 477 A HA 0.051 4.372 4.320 0.001 0.000 0.223 477 A C 0.830 178.411 177.584 -0.005 0.000 1.214 477 A CA 0.232 52.263 52.037 -0.009 0.000 0.900 477 A CB -0.157 18.838 19.000 -0.008 0.000 0.942 477 A HN 0.566 nan 8.150 nan 0.000 0.507 478 D N -1.385 119.012 120.400 -0.005 0.000 2.501 478 D HA 0.205 4.846 4.640 0.001 0.000 0.226 478 D C 0.131 176.429 176.300 -0.003 0.000 1.198 478 D CA 0.302 54.300 54.000 -0.003 0.000 0.830 478 D CB -0.141 40.658 40.800 -0.003 0.000 1.014 478 D HN 0.006 nan 8.370 nan 0.000 0.496 479 S N -0.271 115.427 115.700 -0.003 0.000 3.021 479 S HA 0.578 5.048 4.470 0.001 0.000 0.252 479 S C 0.750 175.349 174.600 -0.002 0.000 0.996 479 S CA -0.313 57.886 58.200 -0.003 0.000 1.084 479 S CB 0.935 64.132 63.200 -0.005 0.000 1.021 479 S HN 0.684 nan 8.310 nan 0.000 0.566 480 G N 2.806 111.606 108.800 -0.001 0.000 2.697 480 G HA2 -0.249 3.712 3.960 0.001 0.000 0.240 480 G HA3 -0.249 3.712 3.960 0.001 0.000 0.240 480 G C -0.655 174.245 174.900 0.000 0.000 1.346 480 G CA -0.809 44.292 45.100 0.001 0.000 0.887 480 G HN 0.417 nan 8.290 nan 0.000 0.569 481 N N -0.529 118.174 118.700 0.004 0.000 2.412 481 N HA 0.325 5.066 4.740 0.001 0.000 0.258 481 N C 0.292 175.802 175.510 0.001 0.000 1.236 481 N CA 0.279 53.332 53.050 0.004 0.000 0.882 481 N CB 1.090 39.583 38.487 0.011 0.000 1.066 481 N HN 0.685 nan 8.380 nan 0.000 0.465 482 V N 1.732 121.643 119.914 -0.004 0.000 2.513 482 V HA 0.394 4.515 4.120 0.001 0.000 0.299 482 V C 0.288 176.378 176.094 -0.007 0.000 1.035 482 V CA -0.658 61.636 62.300 -0.009 0.000 0.889 482 V CB 2.012 33.824 31.823 -0.018 0.000 0.988 482 V HN 0.570 nan 8.190 nan 0.000 0.440 483 T N 3.991 118.541 114.554 -0.006 0.000 2.772 483 T HA 0.519 4.870 4.350 0.001 0.000 0.288 483 T C -0.339 174.351 174.700 -0.017 0.000 0.994 483 T CA -0.288 61.811 62.100 -0.002 0.000 0.951 483 T CB 1.264 70.137 68.868 0.008 0.000 0.933 483 T HN 0.375 nan 8.240 nan 0.000 0.447 484 V N 4.177 124.076 119.914 -0.024 0.000 2.427 484 V HA 0.540 4.661 4.120 0.001 0.000 0.286 484 V C 0.336 176.408 176.094 -0.036 0.000 1.034 484 V CA -0.660 61.611 62.300 -0.047 0.000 0.893 484 V CB 1.589 33.368 31.823 -0.072 0.000 0.982 484 V HN 0.922 nan 8.190 nan 0.000 0.452 485 T N 4.082 118.607 114.554 -0.049 0.000 2.824 485 T HA 0.630 4.980 4.350 0.001 0.000 0.282 485 T C -0.517 174.150 174.700 -0.055 0.000 0.993 485 T CA -0.456 61.628 62.100 -0.027 0.000 0.967 485 T CB 1.705 70.570 68.868 -0.005 0.000 0.960 485 T HN 0.374 nan 8.240 nan 0.000 0.441 486 V N 3.720 123.622 119.914 -0.020 0.000 2.448 486 V HA 0.819 4.940 4.120 0.001 0.000 0.295 486 V C 0.247 176.445 176.094 0.175 0.000 1.025 486 V CA -0.793 61.496 62.300 -0.018 0.000 0.859 486 V CB 1.582 33.307 31.823 -0.163 0.000 0.988 486 V HN 1.139 nan 8.190 nan 0.000 0.431 487 T N 2.974 117.663 114.554 0.225 0.000 2.864 487 T HA 0.718 5.068 4.350 0.001 0.000 0.299 487 T C -3.249 171.576 174.700 0.208 0.000 1.166 487 T CA -2.333 59.903 62.100 0.227 0.000 1.007 487 T CB 2.549 71.490 68.868 0.122 0.000 1.219 487 T HN 0.381 nan 8.240 nan 0.000 0.506 488 P HA 0.486 nan 4.420 nan 0.000 0.278 488 P C -0.443 176.862 177.300 0.009 0.000 1.238 488 P CA -0.426 62.632 63.100 -0.070 0.000 0.794 488 P CB 0.236 31.732 31.700 -0.340 0.000 0.955 489 A N 2.242 125.094 122.820 0.054 0.000 2.445 489 A HA 0.482 4.803 4.320 0.001 0.000 0.242 489 A C 0.729 178.304 177.584 -0.016 0.000 1.075 489 A CA 0.106 52.164 52.037 0.035 0.000 0.777 489 A CB -0.504 18.538 19.000 0.069 0.000 1.013 489 A HN 0.635 nan 8.150 nan 0.000 0.493 490 A N 0.000 122.789 122.820 -0.051 0.000 2.254 490 A HA 0.000 4.321 4.320 0.001 0.000 0.244 490 A CA 0.000 52.004 52.037 -0.056 0.000 0.836 490 A CB 0.000 18.951 19.000 -0.082 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486