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 3g5u_1_A DATA FIRST_RESID 33 DATA SEQUENCE VSVLTMFRYA GWLDRLYMLV GTLAAIIHGV ALPLMMLIFG DMTDSFASVG DATA SEQUENCE NVSKNSTNMS EADKRAMFAK LEEEMTTYAY YYTGIGAGVL IVAYIQVSFW DATA SEQUENCE CLAAGRQIHK IRQKFFHAIM NQEIGWFDVH DVGELNTRLT DDVSKINEGI DATA SEQUENCE GDKIGMFFQA MATFFGGFII GFTRGWKLTL VILAISPVLG LSAGIWAKIL DATA SEQUENCE SSFTDKELHA YAKAGAVAEE VLAAIRTVIA FGGQKKELER YNNNLEEAKR DATA SEQUENCE LGIKKAITAN ISMGAAFLLI YASYALAFWY GTSLVISKEY SIGQVLTVFF DATA SEQUENCE SVLIGAFSVG QASPNIEAFA NARGAAYEVF KIIDNKPSID SFSKSGHKPD DATA SEQUENCE NIQGNLEFKN IHFSYPSRKE VQILKGLNLK VKSGQTVALV GNSGCGKSTT DATA SEQUENCE VQLMQRLYDP LDGMVSIDGQ DIRTINVRYL REIIGVVSQE PVLFATTIAE DATA SEQUENCE NIRYGREDVT MDEIEKAVKE ANAYDFIMKL PHQFDTLVGE RGAQLSGGQK DATA SEQUENCE QRIAIARALV RNPKILLLDE ATSALDTESE AVVQAALDKA REGRTTIVIA DATA SEQUENCE HRLSTVRNAD VIAGFDGGVI VEQGNHDELM REKGIYFKLV MTQTXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XLDEDVPPAS FWRILKLNST EWPYFVVGIF CAIINGGLQP AFSVIFSKVV DATA SEQUENCE GVFTNGGPPE TQRQNSNLFS LLFLILGIIS FITFFLQGFT FGKAGEILTK DATA SEQUENCE RLRYMVFKSM LRQDVSWFDD PKNTTGALTT RLANDAAQVK GATGSRLAVI DATA SEQUENCE FQNIANLGTG IIISLIYGWQ LTLLLLAIVP IIAIAGVVEM KMLSGQALKD DATA SEQUENCE KKELEGSGKI ATEAIENFRT VVSLTREQKF ETMYAQSLQI PYRNAMKKAH DATA SEQUENCE VFGITFSFTQ AMMYFSYAAA FRFGAYLVTQ QLMTFENVLL VFSAIVFGAM DATA SEQUENCE AVGQVSSFAP DYAKATVSAS HIIRIIEKTP EIDSYSTQGL KPNMLEGNVQ DATA SEQUENCE FSGVVFNYPT RPSIPVLQGL SLEVKKGQTL ALVGSSGCGK STVVQLLERF DATA SEQUENCE YDPMAGSVFL DGKEIKQLNV QWLRAQLGIV SQEPILFDCS IAENIAYGDN DATA SEQUENCE SRVVSYEEIV RAAKEANIHQ FIDSLPDKYN TRVGDKGTQL SGGQKQRIAI DATA SEQUENCE ARALVRQPHI LLLDEATSAL DTESEKVVQE ALDKAREGRT CIVIAHRLST DATA SEQUENCE IQNADLIVVI QNGKVKEHGT HQQLLAQKGI YFSMVSVQA 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.098 176.094 0.006 0.000 1.182 33 V CA 0.000 62.304 62.300 0.007 0.000 1.235 33 V CB 0.000 31.827 31.823 0.007 0.000 1.184 34 S N 0.640 116.349 115.700 0.015 0.000 2.557 34 S HA -0.392 4.077 4.470 -0.001 0.000 0.344 34 S C 1.827 176.452 174.600 0.043 0.000 1.291 34 S CA 4.498 62.709 58.200 0.017 0.000 1.306 34 S CB -2.214 61.020 63.200 0.058 0.000 1.335 34 S HN 2.523 nan 8.310 nan 0.000 0.466 35 V N 3.036 122.993 119.914 0.071 0.000 2.221 35 V HA -0.211 3.909 4.120 -0.001 0.000 0.244 35 V C 2.619 178.609 176.094 -0.173 0.000 1.043 35 V CA 2.479 64.669 62.300 -0.184 0.000 0.996 35 V CB -1.779 29.721 31.823 -0.538 0.000 0.636 35 V HN 0.851 nan 8.190 nan 0.000 0.454 36 L N -0.496 120.647 121.223 -0.134 0.000 2.044 36 L HA 0.072 4.412 4.340 -0.001 0.000 0.205 36 L C 2.499 179.461 176.870 0.152 0.000 1.075 36 L CA 2.440 57.299 54.840 0.032 0.000 0.747 36 L CB -1.983 40.067 42.059 -0.014 0.000 0.903 36 L HN 0.377 nan 8.230 nan 0.000 0.435 37 T N -0.067 114.532 114.554 0.074 0.000 2.639 37 T HA -0.077 4.273 4.350 -0.001 0.000 0.261 37 T C 1.990 176.733 174.700 0.071 0.000 1.053 37 T CA 1.670 63.820 62.100 0.084 0.000 1.158 37 T CB -0.280 68.621 68.868 0.054 0.000 0.863 37 T HN 0.174 nan 8.240 nan 0.000 0.413 38 M N 0.595 120.187 119.600 -0.014 0.000 2.108 38 M HA -0.100 4.380 4.480 -0.001 0.000 0.257 38 M C 2.049 178.200 176.300 -0.249 0.000 1.071 38 M CA 1.512 56.714 55.300 -0.163 0.000 1.093 38 M CB -1.097 31.317 32.600 -0.309 0.000 1.345 38 M HN 0.283 nan 8.290 nan 0.000 0.403 39 F N 0.316 120.087 119.950 -0.299 0.000 2.154 39 F HA -0.205 4.322 4.527 -0.001 0.000 0.301 39 F C 1.322 177.114 175.800 -0.014 0.000 1.087 39 F CA 1.576 59.443 58.000 -0.222 0.000 1.274 39 F CB 0.045 38.971 39.000 -0.124 0.000 1.009 39 F HN 0.038 nan 8.300 nan 0.000 0.485 40 R N 0.055 120.627 120.500 0.121 0.000 3.057 40 R HA 0.139 4.479 4.340 -0.001 0.000 0.291 40 R C -0.877 175.522 176.300 0.166 0.000 1.394 40 R CA -0.518 55.645 56.100 0.104 0.000 1.630 40 R CB 0.195 30.580 30.300 0.142 0.000 1.268 40 R HN 0.284 nan 8.270 nan 0.000 0.621 41 Y N -0.501 119.781 120.300 -0.029 0.000 2.771 41 Y HA 0.700 5.250 4.550 -0.001 0.000 0.359 41 Y C 0.187 176.099 175.900 0.020 0.000 1.247 41 Y CA -1.804 56.303 58.100 0.012 0.000 1.324 41 Y CB -0.083 38.404 38.460 0.044 0.000 1.539 41 Y HN 0.262 nan 8.280 nan 0.000 0.698 42 A N 0.053 122.461 122.820 -0.687 0.000 1.679 42 A HA 0.336 4.655 4.320 -0.001 0.000 0.221 42 A C 0.211 177.612 177.584 -0.305 0.000 1.286 42 A CA 1.228 52.826 52.037 -0.731 0.000 0.693 42 A CB -2.219 15.944 19.000 -1.395 0.000 1.179 42 A HN 2.484 nan 8.150 nan 0.000 0.226 43 G N 1.102 109.833 108.800 -0.115 0.000 2.110 43 G HA2 0.326 4.286 3.960 -0.001 0.000 0.218 43 G HA3 0.326 4.286 3.960 -0.001 0.000 0.218 43 G C -0.011 174.942 174.900 0.090 0.000 2.460 43 G CA 0.427 45.518 45.100 -0.014 0.000 0.838 43 G HN 1.620 nan 8.290 nan 0.000 0.534 44 W N 3.971 125.240 121.300 -0.051 0.000 2.257 44 W HA 0.125 4.784 4.660 -0.001 0.000 0.299 44 W C 1.296 177.799 176.519 -0.027 0.000 1.000 44 W CA 0.733 58.058 57.345 -0.032 0.000 1.213 44 W CB -0.569 28.878 29.460 -0.023 0.000 1.226 44 W HN 0.298 nan 8.180 nan 0.000 0.467 45 L N 2.055 123.594 121.223 0.527 0.000 2.651 45 L HA -0.157 4.183 4.340 -0.001 0.000 0.236 45 L C 1.539 178.511 176.870 0.171 0.000 1.173 45 L CA 1.543 56.564 54.840 0.301 0.000 0.843 45 L CB -2.075 40.043 42.059 0.099 0.000 0.964 45 L HN 0.081 nan 8.230 nan 0.000 0.454 46 D N 0.133 120.616 120.400 0.139 0.000 2.191 46 D HA -0.102 4.538 4.640 -0.001 0.000 0.221 46 D C 2.167 178.482 176.300 0.025 0.000 1.006 46 D CA 0.658 54.701 54.000 0.071 0.000 0.910 46 D CB 0.051 40.870 40.800 0.031 0.000 1.031 46 D HN 0.043 nan 8.370 nan 0.000 0.447 47 R N 0.381 120.878 120.500 -0.004 0.000 2.153 47 R HA -0.155 4.184 4.340 -0.001 0.000 0.252 47 R C 2.348 178.594 176.300 -0.089 0.000 1.158 47 R CA 1.159 57.220 56.100 -0.064 0.000 0.975 47 R CB -0.362 29.904 30.300 -0.056 0.000 0.871 47 R HN 0.189 nan 8.270 nan 0.000 0.450 48 L N -1.387 119.825 121.223 -0.019 0.000 2.023 48 L HA -0.158 4.182 4.340 -0.001 0.000 0.205 48 L C 2.243 179.069 176.870 -0.074 0.000 1.073 48 L CA 1.236 56.059 54.840 -0.028 0.000 0.745 48 L CB -0.659 41.439 42.059 0.064 0.000 0.900 48 L HN 0.244 nan 8.230 nan 0.000 0.435 49 Y N 0.498 120.746 120.300 -0.086 0.000 2.256 49 Y HA -0.335 4.214 4.550 -0.001 0.000 0.288 49 Y C 2.623 178.364 175.900 -0.265 0.000 1.155 49 Y CA 1.691 59.715 58.100 -0.127 0.000 1.203 49 Y CB -0.159 38.244 38.460 -0.096 0.000 0.980 49 Y HN 0.098 nan 8.280 nan 0.000 0.530 50 M N -0.471 118.887 119.600 -0.402 0.000 2.126 50 M HA -0.269 4.210 4.480 -0.001 0.000 0.259 50 M C 2.030 177.870 176.300 -0.766 0.000 1.073 50 M CA 2.304 57.136 55.300 -0.780 0.000 1.103 50 M CB -0.516 31.758 32.600 -0.544 0.000 1.284 50 M HN 0.334 nan 8.290 nan 0.000 0.420 51 L N -0.345 120.611 121.223 -0.445 0.000 2.129 51 L HA -0.228 4.112 4.340 -0.001 0.000 0.212 51 L C 2.344 179.015 176.870 -0.332 0.000 1.087 51 L CA 0.897 55.539 54.840 -0.330 0.000 0.757 51 L CB -0.997 40.943 42.059 -0.199 0.000 0.896 51 L HN 0.285 nan 8.230 nan 0.000 0.434 52 V N 0.519 120.199 119.914 -0.390 0.000 2.214 52 V HA -0.261 3.859 4.120 -0.001 0.000 0.245 52 V C 2.679 178.548 176.094 -0.374 0.000 1.047 52 V CA 2.292 64.370 62.300 -0.370 0.000 0.998 52 V CB -1.304 30.230 31.823 -0.482 0.000 0.633 52 V HN 0.559 nan 8.190 nan 0.000 0.446 53 G N -0.689 107.774 108.800 -0.562 0.000 2.503 53 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.221 53 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.221 53 G C 1.626 176.563 174.900 0.060 0.000 1.131 53 G CA 1.803 46.772 45.100 -0.219 0.000 0.756 53 G HN 0.512 nan 8.290 nan 0.000 0.572 54 T N 1.170 115.695 114.554 -0.049 0.000 2.607 54 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 54 T C 2.268 176.901 174.700 -0.112 0.000 1.049 54 T CA 1.299 63.326 62.100 -0.122 0.000 1.162 54 T CB -0.445 68.100 68.868 -0.537 0.000 0.863 54 T HN 0.201 nan 8.240 nan 0.000 0.424 55 L N 1.217 122.364 121.223 -0.127 0.000 1.991 55 L HA -0.253 4.086 4.340 -0.001 0.000 0.221 55 L C 2.735 179.616 176.870 0.018 0.000 1.079 55 L CA 2.305 57.122 54.840 -0.039 0.000 0.778 55 L CB -0.823 41.200 42.059 -0.060 0.000 0.893 55 L HN 0.306 nan 8.230 nan 0.000 0.437 56 A N -0.489 122.322 122.820 -0.015 0.000 1.903 56 A HA -0.309 4.010 4.320 -0.001 0.000 0.219 56 A C 2.460 180.071 177.584 0.044 0.000 1.191 56 A CA 2.553 54.584 52.037 -0.010 0.000 0.638 56 A CB -1.401 17.567 19.000 -0.053 0.000 0.823 56 A HN 0.710 nan 8.150 nan 0.000 0.451 57 A N -0.306 122.571 122.820 0.096 0.000 1.873 57 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 57 A C 1.972 179.765 177.584 0.348 0.000 1.193 57 A CA 1.958 54.127 52.037 0.221 0.000 0.629 57 A CB -0.719 18.473 19.000 0.321 0.000 0.826 57 A HN 0.440 nan 8.150 nan 0.000 0.447 58 I N 0.479 121.231 120.570 0.304 0.000 2.044 58 I HA -0.334 3.835 4.170 -0.001 0.000 0.234 58 I C 2.524 178.842 176.117 0.335 0.000 1.031 58 I CA 1.893 63.412 61.300 0.366 0.000 1.305 58 I CB -0.829 37.358 38.000 0.312 0.000 1.026 58 I HN 0.634 nan 8.210 nan 0.000 0.392 59 I N -0.739 119.962 120.570 0.219 0.000 2.181 59 I HA -0.440 3.730 4.170 -0.001 0.000 0.247 59 I C 2.630 178.866 176.117 0.198 0.000 1.081 59 I CA 2.383 63.778 61.300 0.158 0.000 1.340 59 I CB -0.739 37.308 38.000 0.078 0.000 1.036 59 I HN 0.358 nan 8.210 nan 0.000 0.417 60 H N 1.323 120.428 119.070 0.058 0.000 2.289 60 H HA -0.112 4.444 4.556 -0.001 0.000 0.296 60 H C 2.222 177.680 175.328 0.217 0.000 1.091 60 H CA 2.178 58.228 56.048 0.003 0.000 1.274 60 H CB -1.003 28.594 29.762 -0.276 0.000 1.364 60 H HN 0.472 nan 8.280 nan 0.000 0.490 61 G N -0.184 108.852 108.800 0.393 0.000 2.440 61 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.218 61 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.218 61 G C 1.898 176.953 174.900 0.259 0.000 1.154 61 G CA 1.568 46.916 45.100 0.412 0.000 0.767 61 G HN 0.417 nan 8.290 nan 0.000 0.552 62 V N 1.672 121.750 119.914 0.274 0.000 2.469 62 V HA -0.168 3.951 4.120 -0.001 0.000 0.251 62 V C 3.267 179.437 176.094 0.126 0.000 1.064 62 V CA 1.836 64.255 62.300 0.197 0.000 1.066 62 V CB -1.120 30.780 31.823 0.128 0.000 0.667 62 V HN 0.497 nan 8.190 nan 0.000 0.461 63 A N 0.326 123.220 122.820 0.125 0.000 1.865 63 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 63 A C 2.237 179.868 177.584 0.079 0.000 1.191 63 A CA 1.892 53.984 52.037 0.092 0.000 0.623 63 A CB -0.661 18.410 19.000 0.117 0.000 0.826 63 A HN 0.376 nan 8.150 nan 0.000 0.444 64 L N 0.014 121.284 121.223 0.077 0.000 2.021 64 L HA -0.146 4.194 4.340 -0.001 0.000 0.215 64 L C -0.289 176.620 176.870 0.065 0.000 1.074 64 L CA 2.850 57.726 54.840 0.059 0.000 0.760 64 L CB -2.050 40.046 42.059 0.062 0.000 0.889 64 L HN 0.336 nan 8.230 nan 0.000 0.433 65 P HA -0.078 nan 4.420 nan 0.000 0.230 65 P C 2.205 179.554 177.300 0.082 0.000 1.168 65 P CA 0.723 63.870 63.100 0.078 0.000 0.793 65 P CB 0.211 31.962 31.700 0.084 0.000 0.851 66 L N -0.991 120.275 121.223 0.073 0.000 2.012 66 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 66 L C 2.749 179.671 176.870 0.088 0.000 1.073 66 L CA 1.611 56.488 54.840 0.061 0.000 0.748 66 L CB -0.910 41.177 42.059 0.047 0.000 0.891 66 L HN 0.005 nan 8.230 nan 0.000 0.431 67 M N -0.838 118.822 119.600 0.099 0.000 2.143 67 M HA -0.273 4.207 4.480 -0.001 0.000 0.258 67 M C 2.210 178.611 176.300 0.167 0.000 1.071 67 M CA 1.846 57.225 55.300 0.132 0.000 1.088 67 M CB -0.243 32.407 32.600 0.082 0.000 1.360 67 M HN 0.101 nan 8.290 nan 0.000 0.404 68 M N -0.661 119.038 119.600 0.165 0.000 2.126 68 M HA -0.182 4.298 4.480 -0.001 0.000 0.259 68 M C 2.160 178.620 176.300 0.267 0.000 1.073 68 M CA 1.682 57.136 55.300 0.258 0.000 1.103 68 M CB -1.872 30.857 32.600 0.214 0.000 1.284 68 M HN 0.453 nan 8.290 nan 0.000 0.420 69 L N 0.850 122.171 121.223 0.163 0.000 1.997 69 L HA -0.266 4.073 4.340 -0.001 0.000 0.227 69 L C 2.315 179.227 176.870 0.070 0.000 1.087 69 L CA 2.039 56.940 54.840 0.103 0.000 0.797 69 L CB -1.099 40.985 42.059 0.042 0.000 0.902 69 L HN 0.330 nan 8.230 nan 0.000 0.441 70 I N -1.275 119.324 120.570 0.049 0.000 2.194 70 I HA -0.382 3.787 4.170 -0.001 0.000 0.246 70 I C 2.445 178.513 176.117 -0.082 0.000 1.093 70 I CA 2.009 63.288 61.300 -0.035 0.000 1.355 70 I CB -0.452 37.521 38.000 -0.045 0.000 1.046 70 I HN 0.442 nan 8.210 nan 0.000 0.413 71 F N 1.541 121.419 119.950 -0.121 0.000 2.154 71 F HA -0.211 4.316 4.527 -0.001 0.000 0.301 71 F C 2.195 177.960 175.800 -0.059 0.000 1.087 71 F CA 1.676 59.589 58.000 -0.145 0.000 1.274 71 F CB -0.525 38.465 39.000 -0.016 0.000 1.009 71 F HN 0.006 nan 8.300 nan 0.000 0.485 72 G N 0.172 108.896 108.800 -0.126 0.000 2.484 72 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.215 72 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.215 72 G C 1.170 175.946 174.900 -0.207 0.000 1.219 72 G CA 1.037 46.026 45.100 -0.185 0.000 0.791 72 G HN 0.350 nan 8.290 nan 0.000 0.550 73 D N 0.824 121.142 120.400 -0.136 0.000 2.158 73 D HA -0.184 4.456 4.640 -0.001 0.000 0.197 73 D C 2.677 178.880 176.300 -0.162 0.000 0.995 73 D CA 1.562 55.485 54.000 -0.127 0.000 0.846 73 D CB -0.412 40.328 40.800 -0.099 0.000 0.941 73 D HN 0.591 nan 8.370 nan 0.000 0.456 74 M N -0.708 118.758 119.600 -0.223 0.000 2.132 74 M HA -0.072 4.408 4.480 -0.001 0.000 0.263 74 M C 1.895 178.103 176.300 -0.154 0.000 1.065 74 M CA 1.589 56.755 55.300 -0.223 0.000 1.122 74 M CB -0.851 31.638 32.600 -0.186 0.000 1.365 74 M HN -0.253 nan 8.290 nan 0.000 0.411 75 T N 0.867 115.244 114.554 -0.295 0.000 2.788 75 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 75 T C 1.511 176.188 174.700 -0.038 0.000 1.044 75 T CA 1.618 63.575 62.100 -0.239 0.000 1.139 75 T CB -0.424 68.138 68.868 -0.509 0.000 0.867 75 T HN 0.446 nan 8.240 nan 0.000 0.454 76 D N 1.003 121.354 120.400 -0.082 0.000 2.084 76 D HA -0.032 4.608 4.640 -0.001 0.000 0.196 76 D C 2.450 178.748 176.300 -0.003 0.000 0.985 76 D CA 0.978 54.950 54.000 -0.047 0.000 0.826 76 D CB -0.230 40.524 40.800 -0.077 0.000 0.978 76 D HN 0.212 nan 8.370 nan 0.000 0.456 77 S N 0.136 115.833 115.700 -0.004 0.000 2.402 77 S HA -0.189 4.280 4.470 -0.001 0.000 0.233 77 S C 1.698 176.343 174.600 0.074 0.000 1.030 77 S CA 0.522 58.730 58.200 0.014 0.000 1.003 77 S CB -0.360 62.836 63.200 -0.007 0.000 0.813 77 S HN 0.241 nan 8.310 nan 0.000 0.477 78 F N 1.941 121.857 119.950 -0.057 0.000 2.234 78 F HA -0.024 4.502 4.527 -0.001 0.000 0.299 78 F C 2.267 178.046 175.800 -0.035 0.000 1.087 78 F CA 0.594 58.579 58.000 -0.025 0.000 1.340 78 F CB -0.667 38.325 39.000 -0.014 0.000 1.031 78 F HN 0.180 nan 8.300 nan 0.000 0.500 79 A N -1.077 121.765 122.820 0.037 0.000 1.872 79 A HA -0.113 4.207 4.320 -0.001 0.000 0.214 79 A C 2.405 179.934 177.584 -0.092 0.000 1.187 79 A CA 1.718 53.729 52.037 -0.044 0.000 0.614 79 A CB -1.186 17.799 19.000 -0.024 0.000 0.826 79 A HN 0.303 nan 8.150 nan 0.000 0.442 80 S N -0.214 115.444 115.700 -0.070 0.000 2.374 80 S HA -0.168 4.302 4.470 -0.001 0.000 0.227 80 S C 1.869 176.413 174.600 -0.094 0.000 1.037 80 S CA 1.641 59.795 58.200 -0.076 0.000 1.024 80 S CB -0.514 62.653 63.200 -0.055 0.000 0.861 80 S HN 0.337 nan 8.310 nan 0.000 0.456 81 V N 1.240 121.086 119.914 -0.113 0.000 2.515 81 V HA -0.093 4.026 4.120 -0.001 0.000 0.250 81 V C 2.495 178.484 176.094 -0.175 0.000 1.058 81 V CA 1.818 64.036 62.300 -0.138 0.000 1.064 81 V CB -1.249 30.477 31.823 -0.163 0.000 0.675 81 V HN 0.598 nan 8.190 nan 0.000 0.461 82 G N -0.953 107.716 108.800 -0.218 0.000 2.511 82 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.217 82 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.217 82 G C 1.388 176.207 174.900 -0.136 0.000 1.133 82 G CA 0.644 45.628 45.100 -0.193 0.000 0.792 82 G HN 0.559 nan 8.290 nan 0.000 0.539 83 N N -0.123 118.501 118.700 -0.126 0.000 2.109 83 N HA -0.100 4.639 4.740 -0.001 0.000 0.188 83 N C 2.172 177.623 175.510 -0.099 0.000 1.034 83 N CA 1.037 54.020 53.050 -0.113 0.000 0.846 83 N CB 0.057 38.479 38.487 -0.109 0.000 1.010 83 N HN 0.115 nan 8.380 nan 0.000 0.425 84 V N 0.361 120.220 119.914 -0.092 0.000 2.759 84 V HA -0.104 4.015 4.120 -0.001 0.000 0.256 84 V C 2.115 178.159 176.094 -0.083 0.000 1.080 84 V CA 1.139 63.391 62.300 -0.079 0.000 1.101 84 V CB -0.192 31.590 31.823 -0.068 0.000 0.698 84 V HN 0.264 nan 8.190 nan 0.000 0.477 85 S N -0.039 115.602 115.700 -0.098 0.000 2.368 85 S HA -0.205 4.265 4.470 -0.001 0.000 0.224 85 S C 2.055 176.597 174.600 -0.097 0.000 1.029 85 S CA 1.651 59.790 58.200 -0.102 0.000 0.988 85 S CB -0.259 62.869 63.200 -0.121 0.000 0.838 85 S HN 0.499 nan 8.310 nan 0.000 0.462 86 K N 2.488 122.830 120.400 -0.097 0.000 2.026 86 K HA -0.057 4.262 4.320 -0.001 0.000 0.208 86 K C 1.819 178.370 176.600 -0.080 0.000 1.048 86 K CA 1.580 57.812 56.287 -0.091 0.000 0.929 86 K CB -0.684 31.759 32.500 -0.095 0.000 0.713 86 K HN 0.440 nan 8.250 nan 0.000 0.439 87 N N -0.432 118.222 118.700 -0.077 0.000 2.013 87 N HA -0.201 4.539 4.740 -0.001 0.000 0.195 87 N C 0.822 176.295 175.510 -0.061 0.000 1.051 87 N CA 1.398 54.408 53.050 -0.066 0.000 0.851 87 N CB -0.113 38.337 38.487 -0.062 0.000 1.044 87 N HN 0.230 nan 8.380 nan 0.000 0.422 88 S N -0.698 114.965 115.700 -0.063 0.000 3.645 88 S HA -0.399 4.071 4.470 -0.001 0.000 0.570 88 S C 0.714 175.284 174.600 -0.051 0.000 2.436 88 S CA 4.008 62.173 58.200 -0.059 0.000 4.077 88 S CB -1.828 61.331 63.200 -0.068 0.000 0.856 88 S HN 1.139 nan 8.310 nan 0.000 0.996 89 T N -1.283 113.241 114.554 -0.049 0.000 6.355 89 T HA -0.261 4.088 4.350 -0.001 0.000 0.325 89 T C 0.104 174.782 174.700 -0.036 0.000 1.258 89 T CA 2.150 64.225 62.100 -0.042 0.000 2.332 89 T CB -2.118 66.725 68.868 -0.042 0.000 2.396 89 T HN 0.745 nan 8.240 nan 0.000 1.078 90 N N -0.015 118.664 118.700 -0.036 0.000 3.513 90 N HA 0.616 5.356 4.740 -0.001 0.000 0.351 90 N C -0.280 175.213 175.510 -0.029 0.000 1.624 90 N CA -0.745 52.286 53.050 -0.031 0.000 0.712 90 N CB 0.114 38.582 38.487 -0.031 0.000 2.106 90 N HN 0.381 nan 8.380 nan 0.000 0.649 91 M N 0.939 120.524 119.600 -0.025 0.000 2.997 91 M HA -0.024 4.455 4.480 -0.001 0.000 0.401 91 M C 1.377 177.663 176.300 -0.023 0.000 1.798 91 M CA 0.356 55.643 55.300 -0.021 0.000 1.286 91 M CB -0.885 31.704 32.600 -0.019 0.000 2.036 91 M HN 0.413 nan 8.290 nan 0.000 0.480 92 S N 2.359 118.045 115.700 -0.023 0.000 2.353 92 S HA -0.216 4.254 4.470 -0.001 0.000 0.222 92 S C 2.051 176.640 174.600 -0.019 0.000 1.035 92 S CA 1.779 59.964 58.200 -0.025 0.000 1.025 92 S CB -0.130 63.056 63.200 -0.024 0.000 0.902 92 S HN 0.886 nan 8.310 nan 0.000 0.440 93 E N 1.735 121.928 120.200 -0.011 0.000 2.130 93 E HA -0.144 4.206 4.350 -0.001 0.000 0.196 93 E C 1.947 178.547 176.600 0.000 0.000 0.998 93 E CA 1.517 57.915 56.400 -0.003 0.000 0.806 93 E CB -0.985 28.715 29.700 0.000 0.000 0.738 93 E HN 0.584 nan 8.360 nan 0.000 0.459 94 A N 1.071 123.887 122.820 -0.006 0.000 2.209 94 A HA -0.100 4.220 4.320 -0.001 0.000 0.212 94 A C 1.553 179.131 177.584 -0.009 0.000 1.158 94 A CA 1.230 53.264 52.037 -0.006 0.000 0.742 94 A CB -0.113 18.880 19.000 -0.011 0.000 0.790 94 A HN 0.175 nan 8.150 nan 0.000 0.472 95 D N -0.118 120.273 120.400 -0.015 0.000 2.262 95 D HA -0.024 4.615 4.640 -0.001 0.000 0.212 95 D C 1.668 177.958 176.300 -0.017 0.000 0.964 95 D CA 0.828 54.812 54.000 -0.026 0.000 0.875 95 D CB -0.132 40.644 40.800 -0.040 0.000 0.996 95 D HN 0.457 nan 8.370 nan 0.000 0.497 96 K N 0.840 121.237 120.400 -0.005 0.000 2.148 96 K HA -0.014 4.305 4.320 -0.001 0.000 0.204 96 K C 2.175 178.814 176.600 0.066 0.000 1.050 96 K CA 0.731 57.026 56.287 0.015 0.000 0.942 96 K CB 0.203 32.718 32.500 0.026 0.000 0.724 96 K HN 0.049 nan 8.250 nan 0.000 0.446 97 R N 0.480 121.009 120.500 0.050 0.000 2.066 97 R HA 0.060 4.399 4.340 -0.001 0.000 0.224 97 R C 2.500 178.832 176.300 0.054 0.000 1.122 97 R CA 0.963 57.099 56.100 0.061 0.000 0.974 97 R CB -0.372 29.947 30.300 0.032 0.000 0.871 97 R HN 0.124 nan 8.270 nan 0.000 0.435 98 A N 1.171 124.005 122.820 0.024 0.000 1.908 98 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 98 A C 2.033 179.631 177.584 0.023 0.000 1.181 98 A CA 1.566 53.610 52.037 0.012 0.000 0.627 98 A CB -0.295 18.698 19.000 -0.011 0.000 0.818 98 A HN 0.101 nan 8.150 nan 0.000 0.445 99 M N -1.980 117.632 119.600 0.020 0.000 2.073 99 M HA 0.108 4.587 4.480 -0.001 0.000 0.259 99 M C 1.828 178.183 176.300 0.092 0.000 1.079 99 M CA 1.068 56.375 55.300 0.012 0.000 1.131 99 M CB -1.090 31.482 32.600 -0.047 0.000 1.316 99 M HN 0.358 nan 8.290 nan 0.000 0.415 100 F N 0.907 120.842 119.950 -0.025 0.000 2.373 100 F HA -0.115 4.411 4.527 -0.001 0.000 0.300 100 F C 2.116 177.911 175.800 -0.008 0.000 1.080 100 F CA 0.576 58.566 58.000 -0.017 0.000 1.417 100 F CB -1.033 37.957 39.000 -0.016 0.000 1.070 100 F HN 0.121 nan 8.300 nan 0.000 0.546 101 A N 0.277 123.211 122.820 0.190 0.000 1.821 101 A HA -0.187 4.133 4.320 -0.001 0.000 0.215 101 A C 2.339 179.972 177.584 0.082 0.000 1.216 101 A CA 1.541 53.632 52.037 0.091 0.000 0.615 101 A CB -0.631 18.399 19.000 0.049 0.000 0.862 101 A HN 0.114 nan 8.150 nan 0.000 0.450 102 K N -0.444 119.994 120.400 0.062 0.000 2.280 102 K HA -0.098 4.221 4.320 -0.001 0.000 0.202 102 K C 1.770 178.422 176.600 0.087 0.000 1.047 102 K CA 0.954 57.269 56.287 0.047 0.000 0.942 102 K CB -0.881 31.636 32.500 0.027 0.000 0.739 102 K HN 0.457 nan 8.250 nan 0.000 0.457 103 L N 2.308 123.615 121.223 0.141 0.000 1.925 103 L HA -0.197 4.142 4.340 -0.001 0.000 0.215 103 L C 2.305 179.303 176.870 0.214 0.000 1.082 103 L CA 2.120 57.076 54.840 0.194 0.000 0.764 103 L CB -1.137 41.038 42.059 0.193 0.000 0.887 103 L HN 0.349 nan 8.230 nan 0.000 0.432 104 E N -0.801 119.560 120.200 0.267 0.000 2.097 104 E HA -0.313 4.037 4.350 -0.001 0.000 0.196 104 E C 1.914 178.560 176.600 0.077 0.000 1.000 104 E CA 1.478 57.981 56.400 0.172 0.000 0.804 104 E CB -0.868 28.869 29.700 0.062 0.000 0.740 104 E HN 0.742 nan 8.360 nan 0.000 0.454 105 E N 1.585 121.813 120.200 0.046 0.000 2.021 105 E HA -0.288 4.062 4.350 -0.001 0.000 0.200 105 E C 2.033 178.591 176.600 -0.070 0.000 1.015 105 E CA 2.001 58.395 56.400 -0.011 0.000 0.824 105 E CB -0.159 29.536 29.700 -0.008 0.000 0.762 105 E HN 0.294 nan 8.360 nan 0.000 0.454 106 E N 0.257 120.391 120.200 -0.109 0.000 2.409 106 E HA -0.120 4.230 4.350 -0.001 0.000 0.198 106 E C 2.098 178.454 176.600 -0.407 0.000 1.024 106 E CA 0.765 56.968 56.400 -0.328 0.000 0.861 106 E CB -0.405 29.030 29.700 -0.440 0.000 0.788 106 E HN 0.323 nan 8.360 nan 0.000 0.521 107 M N -0.794 118.781 119.600 -0.042 0.000 2.229 107 M HA -0.110 4.370 4.480 -0.001 0.000 0.264 107 M C 1.760 178.124 176.300 0.107 0.000 1.063 107 M CA 1.477 56.917 55.300 0.234 0.000 1.114 107 M CB -0.022 32.734 32.600 0.260 0.000 1.387 107 M HN 0.053 nan 8.290 nan 0.000 0.420 108 T N -0.327 114.185 114.554 -0.070 0.000 2.770 108 T HA -0.090 4.259 4.350 -0.001 0.000 0.263 108 T C 1.587 176.066 174.700 -0.368 0.000 1.039 108 T CA 1.904 63.833 62.100 -0.285 0.000 1.142 108 T CB -0.329 68.373 68.868 -0.278 0.000 0.868 108 T HN 0.431 nan 8.240 nan 0.000 0.435 109 T N 1.330 115.758 114.554 -0.210 0.000 2.720 109 T HA -0.127 4.223 4.350 -0.001 0.000 0.268 109 T C 1.635 176.398 174.700 0.106 0.000 1.037 109 T CA 1.314 63.346 62.100 -0.114 0.000 1.144 109 T CB -0.505 68.246 68.868 -0.194 0.000 0.864 109 T HN 0.379 nan 8.240 nan 0.000 0.444 110 Y N 1.711 122.158 120.300 0.245 0.000 2.114 110 Y HA -0.008 4.541 4.550 -0.001 0.000 0.284 110 Y C 2.785 179.063 175.900 0.629 0.000 1.143 110 Y CA 0.265 58.777 58.100 0.687 0.000 1.135 110 Y CB -1.382 37.400 38.460 0.536 0.000 0.980 110 Y HN 0.196 nan 8.280 nan 0.000 0.499 111 A N -0.140 122.971 122.820 0.484 0.000 1.869 111 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 111 A C 2.098 179.781 177.584 0.165 0.000 1.203 111 A CA 2.095 54.394 52.037 0.437 0.000 0.638 111 A CB -1.661 17.437 19.000 0.164 0.000 0.831 111 A HN 0.657 nan 8.150 nan 0.000 0.450 112 Y N -1.628 118.715 120.300 0.072 0.000 2.483 112 Y HA -0.234 4.316 4.550 -0.000 0.000 0.291 112 Y C 2.310 178.175 175.900 -0.059 0.000 1.143 112 Y CA 0.922 58.983 58.100 -0.066 0.000 1.289 112 Y CB -0.407 38.052 38.460 -0.002 0.000 0.983 112 Y HN 0.733 nan 8.280 nan 0.000 0.556 113 Y N -0.157 120.199 120.300 0.093 0.000 2.177 113 Y HA -0.244 4.305 4.550 -0.001 0.000 0.291 113 Y C 2.507 178.415 175.900 0.013 0.000 1.117 113 Y CA 0.783 58.928 58.100 0.074 0.000 1.114 113 Y CB -1.543 37.019 38.460 0.169 0.000 1.017 113 Y HN 0.156 nan 8.280 nan 0.000 0.505 114 Y N 1.130 121.025 120.300 -0.675 0.000 2.207 114 Y HA -0.092 4.458 4.550 -0.001 0.000 0.287 114 Y C 1.939 177.583 175.900 -0.427 0.000 1.156 114 Y CA 1.495 59.261 58.100 -0.557 0.000 1.182 114 Y CB -1.481 36.778 38.460 -0.336 0.000 0.979 114 Y HN 0.157 nan 8.280 nan 0.000 0.521 115 T N 0.986 114.673 114.554 -1.446 0.000 2.453 115 T HA -0.153 4.196 4.350 -0.001 0.000 0.243 115 T C 2.255 176.592 174.700 -0.603 0.000 1.254 115 T CA 2.048 63.469 62.100 -1.130 0.000 1.327 115 T CB -1.326 67.071 68.868 -0.784 0.000 0.885 115 T HN 0.624 nan 8.240 nan 0.000 0.391 116 G N 2.445 111.029 108.800 -0.361 0.000 2.759 116 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.224 116 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.224 116 G C 1.438 176.198 174.900 -0.233 0.000 1.173 116 G CA 1.583 46.547 45.100 -0.228 0.000 0.770 116 G HN 0.424 nan 8.290 nan 0.000 0.626 117 I N 1.594 122.038 120.570 -0.210 0.000 2.060 117 I HA -0.071 4.099 4.170 -0.001 0.000 0.233 117 I C 3.205 179.127 176.117 -0.325 0.000 1.054 117 I CA 1.483 62.682 61.300 -0.168 0.000 1.318 117 I CB -1.945 36.020 38.000 -0.058 0.000 1.054 117 I HN 0.275 nan 8.210 nan 0.000 0.395 118 G N 1.061 109.491 108.800 -0.617 0.000 2.802 118 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.222 118 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.222 118 G C 1.832 176.207 174.900 -0.876 0.000 1.248 118 G CA 2.252 46.557 45.100 -1.325 0.000 0.787 118 G HN 0.557 nan 8.290 nan 0.000 0.643 119 A N 0.720 123.061 122.820 -0.800 0.000 1.903 119 A HA 0.036 4.356 4.320 -0.001 0.000 0.219 119 A C 2.781 180.214 177.584 -0.252 0.000 1.191 119 A CA 2.679 54.483 52.037 -0.387 0.000 0.638 119 A CB -1.425 17.400 19.000 -0.292 0.000 0.823 119 A HN 1.012 nan 8.150 nan 0.000 0.451 120 G N -0.055 108.595 108.800 -0.251 0.000 2.721 120 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.218 120 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.218 120 G C 1.749 176.572 174.900 -0.130 0.000 1.265 120 G CA 3.245 48.253 45.100 -0.153 0.000 0.796 120 G HN 1.290 nan 8.290 nan 0.000 0.620 121 V N 0.312 120.161 119.914 -0.108 0.000 2.220 121 V HA -0.253 3.867 4.120 -0.001 0.000 0.250 121 V C 2.624 178.606 176.094 -0.187 0.000 1.056 121 V CA 2.511 64.741 62.300 -0.117 0.000 1.016 121 V CB -1.051 30.782 31.823 0.017 0.000 0.639 121 V HN 0.316 nan 8.190 nan 0.000 0.446 122 L N 0.036 121.200 121.223 -0.099 0.000 1.997 122 L HA -0.243 4.096 4.340 -0.001 0.000 0.227 122 L C 2.521 179.349 176.870 -0.070 0.000 1.087 122 L CA 2.800 57.606 54.840 -0.056 0.000 0.797 122 L CB -0.952 41.118 42.059 0.019 0.000 0.902 122 L HN 0.417 nan 8.230 nan 0.000 0.441 123 I N -0.575 119.956 120.570 -0.065 0.000 2.091 123 I HA -0.269 3.901 4.170 -0.001 0.000 0.239 123 I C 2.555 178.651 176.117 -0.034 0.000 1.061 123 I CA 2.149 63.435 61.300 -0.023 0.000 1.317 123 I CB -1.365 36.614 38.000 -0.036 0.000 1.031 123 I HN 0.432 nan 8.210 nan 0.000 0.401 124 V N -0.583 119.254 119.914 -0.128 0.000 2.809 124 V HA 0.018 4.138 4.120 -0.001 0.000 0.256 124 V C 2.606 178.500 176.094 -0.334 0.000 1.080 124 V CA 1.173 63.364 62.300 -0.182 0.000 1.102 124 V CB -1.192 30.527 31.823 -0.173 0.000 0.705 124 V HN 0.288 nan 8.190 nan 0.000 0.475 125 A N 0.278 122.783 122.820 -0.525 0.000 1.845 125 A HA -0.193 4.127 4.320 -0.001 0.000 0.215 125 A C 2.201 179.560 177.584 -0.375 0.000 1.195 125 A CA 1.921 53.476 52.037 -0.804 0.000 0.616 125 A CB -1.204 17.146 19.000 -1.082 0.000 0.832 125 A HN 0.714 nan 8.150 nan 0.000 0.443 126 Y N 0.773 120.890 120.300 -0.306 0.000 2.181 126 Y HA -0.271 4.279 4.550 -0.001 0.000 0.284 126 Y C 1.948 177.834 175.900 -0.024 0.000 1.179 126 Y CA 1.593 59.620 58.100 -0.122 0.000 1.179 126 Y CB -0.173 38.224 38.460 -0.105 0.000 0.973 126 Y HN 0.260 nan 8.280 nan 0.000 0.519 127 I N 0.971 121.462 120.570 -0.132 0.000 2.163 127 I HA -0.314 3.855 4.170 -0.001 0.000 0.240 127 I C 2.577 178.688 176.117 -0.010 0.000 1.081 127 I CA 2.012 63.247 61.300 -0.109 0.000 1.353 127 I CB -1.666 36.310 38.000 -0.040 0.000 1.054 127 I HN 0.487 nan 8.210 nan 0.000 0.407 128 Q N 0.990 120.788 119.800 -0.003 0.000 2.297 128 Q HA -0.124 4.216 4.340 -0.001 0.000 0.208 128 Q C 1.832 177.985 176.000 0.256 0.000 0.981 128 Q CA 1.706 57.593 55.803 0.140 0.000 0.876 128 Q CB -0.608 28.182 28.738 0.088 0.000 0.921 128 Q HN 0.387 nan 8.270 nan 0.000 0.446 129 V N 0.552 120.602 119.914 0.226 0.000 2.591 129 V HA -0.117 4.003 4.120 -0.001 0.000 0.249 129 V C 2.129 178.378 176.094 0.257 0.000 1.053 129 V CA 1.389 63.881 62.300 0.320 0.000 1.068 129 V CB -0.344 31.703 31.823 0.373 0.000 0.689 129 V HN 0.308 nan 8.190 nan 0.000 0.462 130 S N 0.156 115.913 115.700 0.096 0.000 2.442 130 S HA -0.120 4.350 4.470 -0.001 0.000 0.236 130 S C 1.609 176.522 174.600 0.521 0.000 1.007 130 S CA 1.511 59.767 58.200 0.092 0.000 0.965 130 S CB -0.508 62.636 63.200 -0.093 0.000 0.773 130 S HN 0.701 nan 8.310 nan 0.000 0.504 131 F N 1.827 122.013 119.950 0.394 0.000 2.014 131 F HA -0.195 4.331 4.527 -0.001 0.000 0.295 131 F C 2.296 178.273 175.800 0.295 0.000 1.145 131 F CA 1.345 59.526 58.000 0.302 0.000 1.178 131 F CB -0.315 38.740 39.000 0.091 0.000 0.972 131 F HN 0.298 nan 8.300 nan 0.000 0.476 132 W N 2.322 123.876 121.300 0.423 0.000 2.269 132 W HA -0.393 4.267 4.660 -0.001 0.000 0.338 132 W C 2.369 178.998 176.519 0.183 0.000 1.359 132 W CA 2.868 60.322 57.345 0.182 0.000 1.186 132 W CB -1.444 28.033 29.460 0.028 0.000 1.082 132 W HN 0.293 nan 8.180 nan 0.000 0.485 133 C N 0.579 120.335 119.300 0.761 0.000 2.466 133 C HA -0.134 4.325 4.460 -0.001 0.000 0.278 133 C C 2.968 178.119 174.990 0.268 0.000 1.288 133 C CA 0.695 60.010 59.018 0.494 0.000 1.722 133 C CB -1.547 26.248 27.740 0.091 0.000 2.017 133 C HN 0.480 nan 8.230 nan 0.000 0.488 134 L N 1.238 122.564 121.223 0.173 0.000 2.010 134 L HA -0.285 4.055 4.340 -0.001 0.000 0.219 134 L C 2.754 179.699 176.870 0.124 0.000 1.077 134 L CA 2.344 57.211 54.840 0.046 0.000 0.773 134 L CB -1.010 40.969 42.059 -0.134 0.000 0.892 134 L HN 0.449 nan 8.230 nan 0.000 0.436 135 A N -0.385 122.561 122.820 0.210 0.000 2.037 135 A HA -0.222 4.098 4.320 -0.001 0.000 0.200 135 A C 2.389 180.057 177.584 0.141 0.000 1.230 135 A CA 2.112 54.245 52.037 0.159 0.000 0.695 135 A CB -1.390 17.727 19.000 0.195 0.000 0.883 135 A HN 0.510 nan 8.150 nan 0.000 0.502 136 A N -1.194 121.712 122.820 0.143 0.000 1.984 136 A HA -0.197 4.122 4.320 -0.001 0.000 0.224 136 A C 2.527 180.198 177.584 0.145 0.000 1.256 136 A CA 3.176 55.270 52.037 0.096 0.000 0.679 136 A CB -1.897 17.133 19.000 0.050 0.000 0.829 136 A HN 1.393 nan 8.150 nan 0.000 0.483 137 G N -0.487 108.432 108.800 0.199 0.000 2.679 137 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.217 137 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.217 137 G C 1.596 176.627 174.900 0.217 0.000 1.267 137 G CA 1.190 46.411 45.100 0.202 0.000 0.799 137 G HN 0.672 nan 8.290 nan 0.000 0.606 138 R N 0.044 120.663 120.500 0.198 0.000 2.103 138 R HA -0.108 4.231 4.340 -0.001 0.000 0.242 138 R C 2.645 178.997 176.300 0.085 0.000 1.142 138 R CA 1.410 57.616 56.100 0.177 0.000 0.960 138 R CB -0.633 29.738 30.300 0.119 0.000 0.858 138 R HN 0.426 nan 8.270 nan 0.000 0.439 139 Q N 0.477 120.307 119.800 0.051 0.000 2.096 139 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 139 Q C 2.252 178.268 176.000 0.026 0.000 0.982 139 Q CA 1.168 56.968 55.803 -0.004 0.000 0.850 139 Q CB -0.105 28.625 28.738 -0.013 0.000 0.901 139 Q HN 0.343 nan 8.270 nan 0.000 0.422 140 I N -0.228 120.375 120.570 0.054 0.000 2.193 140 I HA -0.200 3.970 4.170 -0.001 0.000 0.240 140 I C 2.278 178.399 176.117 0.007 0.000 1.084 140 I CA 1.234 62.558 61.300 0.041 0.000 1.365 140 I CB -1.441 36.599 38.000 0.066 0.000 1.064 140 I HN 0.249 nan 8.210 nan 0.000 0.410 141 H N 1.456 120.460 119.070 -0.111 0.000 2.272 141 H HA -0.289 4.267 4.556 -0.001 0.000 0.289 141 H C 2.279 177.481 175.328 -0.211 0.000 1.100 141 H CA 2.707 58.596 56.048 -0.264 0.000 1.209 141 H CB -0.045 29.401 29.762 -0.526 0.000 1.348 141 H HN 0.041 nan 8.280 nan 0.000 0.481 142 K N -0.142 120.228 120.400 -0.049 0.000 2.001 142 K HA -0.133 4.187 4.320 -0.001 0.000 0.214 142 K C 2.198 178.775 176.600 -0.037 0.000 1.050 142 K CA 1.663 57.918 56.287 -0.054 0.000 0.934 142 K CB -0.432 32.046 32.500 -0.037 0.000 0.718 142 K HN 0.195 nan 8.250 nan 0.000 0.443 143 I N 0.711 121.290 120.570 0.015 0.000 2.043 143 I HA -0.386 3.783 4.170 -0.001 0.000 0.231 143 I C 2.307 178.382 176.117 -0.069 0.000 1.024 143 I CA 1.765 63.064 61.300 -0.002 0.000 1.309 143 I CB -1.134 36.872 38.000 0.010 0.000 1.030 143 I HN 0.284 nan 8.210 nan 0.000 0.389 144 R N 0.801 121.227 120.500 -0.124 0.000 2.259 144 R HA -0.295 4.044 4.340 -0.001 0.000 0.247 144 R C 2.329 178.418 176.300 -0.350 0.000 1.114 144 R CA 2.626 58.562 56.100 -0.273 0.000 0.926 144 R CB -0.711 29.333 30.300 -0.426 0.000 0.937 144 R HN 0.505 nan 8.270 nan 0.000 0.434 145 Q N -0.785 118.806 119.800 -0.349 0.000 2.084 145 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 145 Q C 2.047 178.037 176.000 -0.017 0.000 0.978 145 Q CA 1.594 57.264 55.803 -0.222 0.000 0.844 145 Q CB -0.069 28.528 28.738 -0.235 0.000 0.898 145 Q HN 0.229 nan 8.270 nan 0.000 0.426 146 K N 0.558 120.947 120.400 -0.018 0.000 2.009 146 K HA -0.149 4.171 4.320 -0.001 0.000 0.210 146 K C 1.798 178.498 176.600 0.167 0.000 1.049 146 K CA 1.231 57.539 56.287 0.035 0.000 0.929 146 K CB -0.758 31.727 32.500 -0.025 0.000 0.714 146 K HN 0.272 nan 8.250 nan 0.000 0.440 147 F N 0.220 120.135 119.950 -0.060 0.000 2.095 147 F HA -0.283 4.244 4.527 -0.001 0.000 0.298 147 F C 2.134 178.004 175.800 0.118 0.000 1.104 147 F CA 0.582 58.570 58.000 -0.021 0.000 1.232 147 F CB -0.075 38.894 39.000 -0.051 0.000 0.987 147 F HN -0.112 nan 8.300 nan 0.000 0.475 148 F N 0.687 120.641 119.950 0.007 0.000 2.027 148 F HA -0.325 4.202 4.527 -0.001 0.000 0.297 148 F C 2.574 178.334 175.800 -0.067 0.000 1.129 148 F CA 2.233 60.169 58.000 -0.107 0.000 1.195 148 F CB -1.539 37.438 39.000 -0.038 0.000 0.960 148 F HN 0.161 nan 8.300 nan 0.000 0.485 149 H N -0.410 118.745 119.070 0.142 0.000 2.456 149 H HA 0.025 4.581 4.556 -0.001 0.000 0.296 149 H C 2.019 177.367 175.328 0.033 0.000 1.079 149 H CA 1.268 57.348 56.048 0.053 0.000 1.322 149 H CB -0.050 29.750 29.762 0.064 0.000 1.388 149 H HN 0.185 nan 8.280 nan 0.000 0.538 150 A N 1.622 124.568 122.820 0.210 0.000 1.835 150 A HA -0.128 4.191 4.320 -0.001 0.000 0.215 150 A C 2.329 179.904 177.584 -0.014 0.000 1.199 150 A CA 1.526 53.656 52.037 0.154 0.000 0.615 150 A CB -0.732 18.442 19.000 0.290 0.000 0.838 150 A HN 0.441 nan 8.150 nan 0.000 0.444 151 I N -0.175 120.325 120.570 -0.117 0.000 2.074 151 I HA -0.303 3.867 4.170 -0.001 0.000 0.238 151 I C 2.328 178.210 176.117 -0.391 0.000 1.037 151 I CA 1.746 62.851 61.300 -0.326 0.000 1.301 151 I CB -1.209 36.464 38.000 -0.546 0.000 1.016 151 I HN 0.297 nan 8.210 nan 0.000 0.400 152 M N -0.073 119.286 119.600 -0.401 0.000 2.703 152 M HA -0.194 4.285 4.480 -0.001 0.000 0.253 152 M C 1.502 177.683 176.300 -0.199 0.000 1.060 152 M CA 1.127 56.197 55.300 -0.383 0.000 1.059 152 M CB -1.657 30.788 32.600 -0.259 0.000 1.399 152 M HN 0.452 nan 8.290 nan 0.000 0.526 153 N N -0.749 117.861 118.700 -0.151 0.000 2.193 153 N HA -0.002 4.738 4.740 -0.001 0.000 0.210 153 N C 1.207 176.772 175.510 0.092 0.000 1.215 153 N CA -0.065 52.965 53.050 -0.033 0.000 0.901 153 N CB 0.445 38.861 38.487 -0.120 0.000 1.060 153 N HN 0.400 nan 8.380 nan 0.000 0.508 154 Q N 1.157 121.016 119.800 0.098 0.000 2.561 154 Q HA -0.122 4.218 4.340 -0.001 0.000 0.217 154 Q C -0.207 175.943 176.000 0.251 0.000 0.980 154 Q CA 0.807 56.709 55.803 0.166 0.000 0.927 154 Q CB 0.198 29.038 28.738 0.170 0.000 0.980 154 Q HN 0.194 nan 8.270 nan 0.000 0.525 155 E N -0.440 119.969 120.200 0.347 0.000 3.606 155 E HA -0.284 4.066 4.350 -0.001 0.000 0.354 155 E C 0.640 177.272 176.600 0.053 0.000 1.569 155 E CA 1.891 58.456 56.400 0.275 0.000 1.986 155 E CB -0.989 28.777 29.700 0.109 0.000 1.813 155 E HN 0.318 nan 8.360 nan 0.000 0.435 156 I N 0.625 121.083 120.570 -0.186 0.000 3.441 156 I HA 0.066 4.236 4.170 -0.001 0.000 0.316 156 I C 1.767 177.758 176.117 -0.210 0.000 1.214 156 I CA 1.487 62.561 61.300 -0.377 0.000 1.226 156 I CB -1.322 36.279 38.000 -0.666 0.000 0.993 156 I HN 0.413 nan 8.210 nan 0.000 0.563 157 G N -0.181 108.614 108.800 -0.008 0.000 2.709 157 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.208 157 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.208 157 G C 1.068 176.038 174.900 0.116 0.000 1.129 157 G CA -0.131 44.983 45.100 0.023 0.000 0.793 157 G HN 0.625 nan 8.290 nan 0.000 0.524 158 W N 0.939 122.303 121.300 0.106 0.000 2.747 158 W HA 0.279 4.938 4.660 -0.001 0.000 0.244 158 W C 0.849 177.452 176.519 0.140 0.000 1.270 158 W CA -0.267 57.206 57.345 0.214 0.000 1.333 158 W CB -0.364 29.161 29.460 0.109 0.000 1.139 158 W HN 0.082 nan 8.180 nan 0.000 0.662 159 F N 0.317 120.165 119.950 -0.169 0.000 2.570 159 F HA 0.137 4.664 4.527 -0.001 0.000 0.290 159 F C 1.856 177.536 175.800 -0.201 0.000 0.910 159 F CA 0.642 58.456 58.000 -0.309 0.000 1.119 159 F CB -0.489 38.097 39.000 -0.689 0.000 0.922 159 F HN -0.285 nan 8.300 nan 0.000 0.703 160 D N 1.308 121.596 120.400 -0.185 0.000 2.170 160 D HA -0.126 4.513 4.640 -0.001 0.000 0.193 160 D C 1.172 177.278 176.300 -0.324 0.000 1.004 160 D CA 2.410 56.258 54.000 -0.253 0.000 0.860 160 D CB -0.506 40.214 40.800 -0.134 0.000 0.931 160 D HN 0.345 nan 8.370 nan 0.000 0.448 161 V N -5.644 114.060 119.914 -0.351 0.000 3.870 161 V HA 0.426 4.546 4.120 -0.001 0.000 0.310 161 V C -1.097 174.854 176.094 -0.239 0.000 1.501 161 V CA -1.147 60.938 62.300 -0.357 0.000 0.934 161 V CB 1.280 32.838 31.823 -0.441 0.000 1.140 161 V HN 0.229 nan 8.190 nan 0.000 0.476 162 H N -0.077 119.003 119.070 0.016 0.000 3.851 162 H HA -0.126 4.429 4.556 -0.001 0.000 0.284 162 H C 0.213 175.574 175.328 0.055 0.000 0.720 162 H CA 0.724 56.803 56.048 0.052 0.000 0.826 162 H CB -1.183 28.638 29.762 0.097 0.000 1.345 162 H HN 1.005 nan 8.280 nan 0.000 0.314 163 D N 2.677 123.173 120.400 0.160 0.000 2.311 163 D HA 0.008 4.647 4.640 -0.001 0.000 0.212 163 D C 1.718 178.098 176.300 0.133 0.000 0.972 163 D CA 1.427 55.492 54.000 0.107 0.000 0.887 163 D CB 0.325 41.172 40.800 0.079 0.000 0.915 163 D HN 0.471 nan 8.370 nan 0.000 0.497 164 V N -1.453 118.562 119.914 0.169 0.000 1.115 164 V HA -0.359 3.761 4.120 -0.001 0.000 0.037 164 V C 1.904 178.053 176.094 0.091 0.000 2.140 164 V CA 1.920 64.320 62.300 0.166 0.000 3.046 164 V CB -1.483 30.496 31.823 0.259 0.000 1.438 164 V HN 0.453 nan 8.190 nan 0.000 0.999 165 G N -1.233 107.617 108.800 0.084 0.000 2.641 165 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.211 165 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.211 165 G C 1.099 176.025 174.900 0.044 0.000 1.190 165 G CA 0.759 45.894 45.100 0.059 0.000 0.842 165 G HN 0.561 nan 8.290 nan 0.000 0.585 166 E N 0.542 120.774 120.200 0.053 0.000 2.233 166 E HA -0.168 4.181 4.350 -0.001 0.000 0.199 166 E C 2.186 178.811 176.600 0.042 0.000 1.004 166 E CA 0.881 57.310 56.400 0.049 0.000 0.819 166 E CB -0.122 29.613 29.700 0.059 0.000 0.738 166 E HN 0.442 nan 8.360 nan 0.000 0.478 167 L N 1.786 123.027 121.223 0.029 0.000 1.960 167 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 167 L C 2.422 179.268 176.870 -0.040 0.000 1.090 167 L CA 2.012 56.843 54.840 -0.016 0.000 0.759 167 L CB -0.812 41.208 42.059 -0.066 0.000 0.892 167 L HN 0.169 nan 8.230 nan 0.000 0.436 168 N N -1.150 117.509 118.700 -0.068 0.000 2.089 168 N HA -0.295 4.444 4.740 -0.001 0.000 0.198 168 N C 1.491 176.991 175.510 -0.016 0.000 1.017 168 N CA 2.472 55.477 53.050 -0.076 0.000 0.880 168 N CB -1.371 37.075 38.487 -0.068 0.000 1.042 168 N HN 0.434 nan 8.380 nan 0.000 0.446 169 T N 1.947 116.506 114.554 0.007 0.000 2.597 169 T HA -0.234 4.115 4.350 -0.001 0.000 0.267 169 T C 2.043 176.775 174.700 0.052 0.000 1.053 169 T CA 2.473 64.591 62.100 0.029 0.000 1.165 169 T CB -0.377 68.510 68.868 0.032 0.000 0.863 169 T HN 0.633 nan 8.240 nan 0.000 0.427 170 R N 1.366 121.904 120.500 0.064 0.000 2.152 170 R HA 0.017 4.357 4.340 -0.001 0.000 0.232 170 R C 2.428 178.827 176.300 0.166 0.000 1.117 170 R CA 0.876 57.043 56.100 0.111 0.000 0.981 170 R CB -0.718 29.657 30.300 0.125 0.000 0.870 170 R HN 0.287 nan 8.270 nan 0.000 0.451 171 L N 1.629 122.922 121.223 0.116 0.000 1.956 171 L HA -0.182 4.157 4.340 -0.001 0.000 0.216 171 L C 1.454 178.431 176.870 0.179 0.000 1.073 171 L CA 2.739 57.666 54.840 0.146 0.000 0.762 171 L CB -1.391 40.641 42.059 -0.046 0.000 0.889 171 L HN 0.384 nan 8.230 nan 0.000 0.433 172 T N -0.065 114.557 114.554 0.115 0.000 2.668 172 T HA -0.159 4.190 4.350 -0.001 0.000 0.262 172 T C 1.512 176.277 174.700 0.108 0.000 1.045 172 T CA 1.399 63.562 62.100 0.106 0.000 1.152 172 T CB -0.416 68.498 68.868 0.077 0.000 0.864 172 T HN 0.322 nan 8.240 nan 0.000 0.419 173 D N 1.297 121.755 120.400 0.097 0.000 2.230 173 D HA -0.149 4.490 4.640 -0.001 0.000 0.189 173 D C 1.962 178.329 176.300 0.112 0.000 1.006 173 D CA 1.677 55.734 54.000 0.095 0.000 0.853 173 D CB -0.350 40.500 40.800 0.084 0.000 0.959 173 D HN 0.335 nan 8.370 nan 0.000 0.449 174 D N -0.319 120.160 120.400 0.132 0.000 2.078 174 D HA -0.130 4.510 4.640 -0.001 0.000 0.193 174 D C 2.218 178.603 176.300 0.142 0.000 0.990 174 D CA 0.609 54.694 54.000 0.142 0.000 0.827 174 D CB -0.952 39.939 40.800 0.152 0.000 0.975 174 D HN 0.068 nan 8.370 nan 0.000 0.451 175 V N 0.800 120.806 119.914 0.153 0.000 2.252 175 V HA -0.368 3.752 4.120 -0.001 0.000 0.255 175 V C 2.229 178.387 176.094 0.107 0.000 1.071 175 V CA 2.728 65.103 62.300 0.124 0.000 1.050 175 V CB -0.611 31.287 31.823 0.126 0.000 0.654 175 V HN 0.159 nan 8.190 nan 0.000 0.448 176 S N -0.974 114.791 115.700 0.109 0.000 2.359 176 S HA -0.255 4.215 4.470 -0.001 0.000 0.224 176 S C 1.886 176.556 174.600 0.116 0.000 1.035 176 S CA 1.982 60.248 58.200 0.109 0.000 1.018 176 S CB -0.428 62.834 63.200 0.104 0.000 0.876 176 S HN 0.638 nan 8.310 nan 0.000 0.448 177 K N 0.569 121.042 120.400 0.120 0.000 2.286 177 K HA -0.075 4.245 4.320 -0.001 0.000 0.203 177 K C 1.719 178.405 176.600 0.144 0.000 1.045 177 K CA 0.883 57.245 56.287 0.124 0.000 0.935 177 K CB -0.213 32.361 32.500 0.124 0.000 0.737 177 K HN 0.276 nan 8.250 nan 0.000 0.460 178 I N 1.119 121.784 120.570 0.158 0.000 2.163 178 I HA -0.278 3.892 4.170 -0.001 0.000 0.240 178 I C 2.086 178.252 176.117 0.082 0.000 1.081 178 I CA 1.290 62.697 61.300 0.179 0.000 1.353 178 I CB -1.610 36.438 38.000 0.081 0.000 1.054 178 I HN 0.284 nan 8.210 nan 0.000 0.407 179 N N 1.446 120.186 118.700 0.067 0.000 2.011 179 N HA -0.259 4.481 4.740 -0.001 0.000 0.199 179 N C 1.766 177.253 175.510 -0.038 0.000 1.047 179 N CA 2.155 55.237 53.050 0.053 0.000 0.863 179 N CB -0.081 38.490 38.487 0.141 0.000 1.056 179 N HN 0.458 nan 8.380 nan 0.000 0.427 180 E N -0.368 119.854 120.200 0.036 0.000 2.114 180 E HA -0.186 4.164 4.350 -0.001 0.000 0.199 180 E C 1.995 178.471 176.600 -0.208 0.000 1.008 180 E CA 1.096 57.472 56.400 -0.039 0.000 0.810 180 E CB -0.444 29.302 29.700 0.077 0.000 0.739 180 E HN 0.513 nan 8.360 nan 0.000 0.456 181 G N 1.692 110.438 108.800 -0.091 0.000 2.469 181 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.219 181 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.219 181 G C 1.493 176.208 174.900 -0.308 0.000 1.150 181 G CA 1.087 46.114 45.100 -0.122 0.000 0.763 181 G HN 0.082 nan 8.290 nan 0.000 0.561 182 I N 1.554 121.937 120.570 -0.312 0.000 2.162 182 I HA 0.015 4.184 4.170 -0.001 0.000 0.238 182 I C 3.082 178.840 176.117 -0.598 0.000 1.076 182 I CA 1.283 62.370 61.300 -0.356 0.000 1.353 182 I CB -1.865 36.012 38.000 -0.206 0.000 1.063 182 I HN 0.197 nan 8.210 nan 0.000 0.408 183 G N 0.614 108.687 108.800 -1.212 0.000 2.443 183 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.219 183 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.219 183 G C 1.333 175.643 174.900 -0.983 0.000 1.131 183 G CA 0.577 44.692 45.100 -1.641 0.000 0.775 183 G HN 0.325 nan 8.290 nan 0.000 0.547 184 D N 0.391 120.286 120.400 -0.842 0.000 2.103 184 D HA -0.075 4.564 4.640 -0.001 0.000 0.199 184 D C 2.303 178.473 176.300 -0.218 0.000 0.978 184 D CA 0.785 54.594 54.000 -0.319 0.000 0.829 184 D CB -0.205 40.483 40.800 -0.187 0.000 0.981 184 D HN 0.297 nan 8.370 nan 0.000 0.464 185 K N 1.299 121.553 120.400 -0.244 0.000 2.144 185 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 185 K C 2.346 178.915 176.600 -0.051 0.000 1.047 185 K CA 1.442 57.685 56.287 -0.072 0.000 0.927 185 K CB -0.352 32.075 32.500 -0.123 0.000 0.716 185 K HN 0.211 nan 8.250 nan 0.000 0.454 186 I N -0.117 120.227 120.570 -0.378 0.000 2.099 186 I HA -0.129 4.040 4.170 -0.001 0.000 0.239 186 I C 2.166 178.278 176.117 -0.009 0.000 1.066 186 I CA 2.258 63.242 61.300 -0.527 0.000 1.324 186 I CB -1.361 35.781 38.000 -1.430 0.000 1.037 186 I HN 0.157 nan 8.210 nan 0.000 0.401 187 G N 1.311 110.130 108.800 0.031 0.000 2.649 187 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.220 187 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.220 187 G C 1.646 176.674 174.900 0.215 0.000 1.189 187 G CA 1.786 47.036 45.100 0.250 0.000 0.777 187 G HN 0.590 nan 8.290 nan 0.000 0.602 188 M N -0.170 119.488 119.600 0.096 0.000 2.399 188 M HA -0.138 4.341 4.480 -0.001 0.000 0.263 188 M C 2.337 178.699 176.300 0.103 0.000 1.067 188 M CA 1.966 57.288 55.300 0.037 0.000 1.084 188 M CB -1.175 31.433 32.600 0.012 0.000 1.252 188 M HN 0.206 nan 8.290 nan 0.000 0.454 189 F N 0.936 120.925 119.950 0.066 0.000 2.077 189 F HA -0.392 4.135 4.527 -0.001 0.000 0.292 189 F C 2.297 178.203 175.800 0.177 0.000 1.120 189 F CA 2.988 61.054 58.000 0.110 0.000 1.246 189 F CB -1.579 37.517 39.000 0.160 0.000 0.941 189 F HN 0.455 nan 8.300 nan 0.000 0.514 190 F N 1.181 121.349 119.950 0.363 0.000 2.041 190 F HA -0.340 4.186 4.527 -0.001 0.000 0.296 190 F C 2.443 178.362 175.800 0.199 0.000 1.147 190 F CA 2.492 60.662 58.000 0.284 0.000 1.214 190 F CB -1.442 37.737 39.000 0.298 0.000 0.947 190 F HN 0.122 nan 8.300 nan 0.000 0.511 191 Q N 0.650 120.113 119.800 -0.561 0.000 2.135 191 Q HA -0.174 4.165 4.340 -0.001 0.000 0.204 191 Q C 2.488 178.390 176.000 -0.163 0.000 0.981 191 Q CA 1.776 57.240 55.803 -0.565 0.000 0.856 191 Q CB -1.127 27.293 28.738 -0.530 0.000 0.902 191 Q HN 0.662 nan 8.270 nan 0.000 0.425 192 A N 0.576 123.342 122.820 -0.090 0.000 1.997 192 A HA -0.202 4.118 4.320 -0.001 0.000 0.221 192 A C 1.988 179.564 177.584 -0.013 0.000 1.172 192 A CA 1.673 53.650 52.037 -0.100 0.000 0.645 192 A CB -0.302 18.580 19.000 -0.197 0.000 0.813 192 A HN 0.262 nan 8.150 nan 0.000 0.454 193 M N -1.394 118.269 119.600 0.104 0.000 2.435 193 M HA 0.146 4.626 4.480 -0.001 0.000 0.265 193 M C 2.391 178.855 176.300 0.273 0.000 1.104 193 M CA 1.131 56.555 55.300 0.207 0.000 1.140 193 M CB -1.214 31.595 32.600 0.348 0.000 1.372 193 M HN 0.451 nan 8.290 nan 0.000 0.456 194 A N 0.107 123.047 122.820 0.200 0.000 1.969 194 A HA -0.125 4.195 4.320 -0.001 0.000 0.218 194 A C 2.382 180.049 177.584 0.138 0.000 1.169 194 A CA 2.274 54.420 52.037 0.182 0.000 0.635 194 A CB -0.892 18.159 19.000 0.085 0.000 0.810 194 A HN 0.470 nan 8.150 nan 0.000 0.445 195 T N -2.051 112.557 114.554 0.090 0.000 2.732 195 T HA -0.106 4.243 4.350 -0.001 0.000 0.261 195 T C 1.664 176.462 174.700 0.164 0.000 1.040 195 T CA 1.436 63.590 62.100 0.090 0.000 1.145 195 T CB -0.418 68.479 68.868 0.048 0.000 0.866 195 T HN 0.395 nan 8.240 nan 0.000 0.427 196 F N 0.255 120.176 119.950 -0.050 0.000 2.011 196 F HA -0.117 4.409 4.527 -0.001 0.000 0.296 196 F C 2.014 177.826 175.800 0.020 0.000 1.144 196 F CA 1.847 59.775 58.000 -0.120 0.000 1.185 196 F CB -0.274 38.532 39.000 -0.323 0.000 0.961 196 F HN 0.177 nan 8.300 nan 0.000 0.485 197 F N 0.863 120.893 119.950 0.133 0.000 2.171 197 F HA -0.065 4.462 4.527 -0.001 0.000 0.300 197 F C 2.462 178.328 175.800 0.110 0.000 1.090 197 F CA 1.014 59.082 58.000 0.114 0.000 1.293 197 F CB -1.606 37.493 39.000 0.164 0.000 1.013 197 F HN 0.051 nan 8.300 nan 0.000 0.486 198 G N -0.097 108.867 108.800 0.274 0.000 2.666 198 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 198 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 198 G C 2.104 177.081 174.900 0.128 0.000 1.294 198 G CA 0.886 46.083 45.100 0.161 0.000 0.811 198 G HN 0.486 nan 8.290 nan 0.000 0.594 199 G N -0.190 108.671 108.800 0.103 0.000 2.657 199 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.224 199 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.224 199 G C 1.346 176.327 174.900 0.135 0.000 1.086 199 G CA 1.327 46.477 45.100 0.083 0.000 0.730 199 G HN 0.331 nan 8.290 nan 0.000 0.602 200 F N 0.210 120.133 119.950 -0.045 0.000 2.293 200 F HA 0.345 4.871 4.527 -0.001 0.000 0.256 200 F C 2.329 178.159 175.800 0.049 0.000 1.142 200 F CA -0.472 57.501 58.000 -0.045 0.000 1.041 200 F CB -0.919 37.988 39.000 -0.156 0.000 1.070 200 F HN 0.012 nan 8.300 nan 0.000 0.570 201 I N 1.236 121.754 120.570 -0.087 0.000 2.661 201 I HA -0.405 3.764 4.170 -0.001 0.000 0.221 201 I C 2.326 178.328 176.117 -0.191 0.000 0.909 201 I CA 2.867 64.038 61.300 -0.216 0.000 1.212 201 I CB -1.177 36.799 38.000 -0.040 0.000 0.929 201 I HN 0.512 nan 8.210 nan 0.000 0.375 202 I N -1.698 118.827 120.570 -0.075 0.000 2.277 202 I HA 0.106 4.276 4.170 -0.001 0.000 0.243 202 I C 2.296 178.353 176.117 -0.100 0.000 1.094 202 I CA 1.582 62.831 61.300 -0.086 0.000 1.393 202 I CB -1.897 36.093 38.000 -0.017 0.000 1.078 202 I HN 0.166 nan 8.210 nan 0.000 0.417 203 G N -0.925 107.855 108.800 -0.033 0.000 2.601 203 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.214 203 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.214 203 G C 0.988 175.925 174.900 0.062 0.000 1.132 203 G CA 1.333 46.426 45.100 -0.012 0.000 0.761 203 G HN 0.521 nan 8.290 nan 0.000 0.550 204 F N -1.419 118.418 119.950 -0.188 0.000 1.811 204 F HA 0.143 4.670 4.527 -0.001 0.000 0.232 204 F C 2.278 177.926 175.800 -0.253 0.000 1.232 204 F CA 0.998 58.889 58.000 -0.181 0.000 1.312 204 F CB -0.432 38.466 39.000 -0.170 0.000 1.880 204 F HN -0.037 nan 8.300 nan 0.000 0.287 205 T N 1.775 116.034 114.554 -0.492 0.000 2.635 205 T HA -0.256 4.093 4.350 -0.001 0.000 0.265 205 T C 0.743 175.036 174.700 -0.678 0.000 1.058 205 T CA 1.880 63.616 62.100 -0.606 0.000 1.162 205 T CB -0.424 68.221 68.868 -0.373 0.000 0.859 205 T HN -0.098 nan 8.240 nan 0.000 0.449 206 R N 0.497 120.713 120.500 -0.473 0.000 2.205 206 R HA 0.502 4.841 4.340 -0.001 0.000 0.342 206 R C 0.946 176.946 176.300 -0.501 0.000 1.058 206 R CA 0.341 56.164 56.100 -0.462 0.000 0.904 206 R CB 0.496 30.659 30.300 -0.228 0.000 1.089 206 R HN 0.447 nan 8.270 nan 0.000 0.471 207 G N 1.188 109.567 108.800 -0.702 0.000 2.905 207 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.196 207 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.196 207 G C -0.868 173.826 174.900 -0.344 0.000 1.044 207 G CA -0.371 44.353 45.100 -0.627 0.000 0.778 207 G HN 0.465 nan 8.290 nan 0.000 0.474 208 W N 1.723 122.742 121.300 -0.467 0.000 5.456 208 W HA -0.157 4.502 4.660 -0.001 0.000 0.433 208 W C 1.053 177.442 176.519 -0.217 0.000 1.783 208 W CA 1.684 58.792 57.345 -0.396 0.000 0.881 208 W CB -1.707 27.582 29.460 -0.285 0.000 2.913 208 W HN 0.867 nan 8.180 nan 0.000 1.117 209 K N -2.290 118.139 120.400 0.049 0.000 3.615 209 K HA -0.264 4.055 4.320 -0.001 0.000 0.264 209 K C 1.181 177.778 176.600 -0.005 0.000 1.090 209 K CA 1.562 57.880 56.287 0.052 0.000 1.058 209 K CB -1.841 30.696 32.500 0.062 0.000 1.304 209 K HN 0.363 nan 8.250 nan 0.000 0.513 210 L N 0.397 121.570 121.223 -0.082 0.000 2.286 210 L HA 0.146 4.485 4.340 -0.001 0.000 0.203 210 L C 1.764 178.525 176.870 -0.182 0.000 1.068 210 L CA 2.511 57.303 54.840 -0.079 0.000 0.811 210 L CB -0.692 41.225 42.059 -0.236 0.000 0.989 210 L HN 0.369 nan 8.230 nan 0.000 0.467 211 T N 0.226 114.613 114.554 -0.279 0.000 2.977 211 T HA -0.141 4.208 4.350 -0.001 0.000 0.271 211 T C 1.776 176.309 174.700 -0.278 0.000 1.105 211 T CA 1.281 63.170 62.100 -0.352 0.000 1.116 211 T CB -0.103 68.585 68.868 -0.300 0.000 0.878 211 T HN 0.265 nan 8.240 nan 0.000 0.509 212 L N 0.463 121.601 121.223 -0.141 0.000 2.249 212 L HA 0.296 4.635 4.340 -0.001 0.000 0.207 212 L C 2.357 179.192 176.870 -0.058 0.000 1.090 212 L CA 1.081 55.895 54.840 -0.043 0.000 0.802 212 L CB -0.579 41.507 42.059 0.044 0.000 0.947 212 L HN 0.077 nan 8.230 nan 0.000 0.453 213 V N 0.324 120.214 119.914 -0.041 0.000 2.324 213 V HA -0.348 3.772 4.120 -0.001 0.000 0.250 213 V C 2.475 178.575 176.094 0.011 0.000 1.060 213 V CA 2.238 64.606 62.300 0.113 0.000 1.042 213 V CB -0.590 31.476 31.823 0.406 0.000 0.650 213 V HN 0.385 nan 8.190 nan 0.000 0.450 214 I N -0.501 119.724 120.570 -0.575 0.000 2.043 214 I HA -0.306 3.863 4.170 -0.001 0.000 0.223 214 I C 2.413 178.412 176.117 -0.196 0.000 1.026 214 I CA 1.933 62.758 61.300 -0.791 0.000 1.326 214 I CB -0.741 36.711 38.000 -0.914 0.000 1.060 214 I HN 0.207 nan 8.210 nan 0.000 0.386 215 L N 0.446 121.576 121.223 -0.155 0.000 2.143 215 L HA -0.390 3.949 4.340 -0.001 0.000 0.231 215 L C 2.578 179.456 176.870 0.014 0.000 1.106 215 L CA 1.918 56.739 54.840 -0.031 0.000 0.827 215 L CB -1.295 40.768 42.059 0.006 0.000 0.915 215 L HN 0.521 nan 8.230 nan 0.000 0.448 216 A N 0.799 123.632 122.820 0.022 0.000 2.279 216 A HA -0.192 4.127 4.320 -0.001 0.000 0.190 216 A C 1.936 179.569 177.584 0.082 0.000 1.210 216 A CA 1.769 53.838 52.037 0.054 0.000 0.768 216 A CB -0.919 18.120 19.000 0.064 0.000 0.887 216 A HN 0.389 nan 8.150 nan 0.000 0.530 217 I N -0.529 120.113 120.570 0.119 0.000 2.132 217 I HA -0.325 3.844 4.170 -0.001 0.000 0.238 217 I C 2.217 178.429 176.117 0.158 0.000 1.012 217 I CA 2.385 63.771 61.300 0.144 0.000 1.288 217 I CB -1.678 36.439 38.000 0.195 0.000 0.997 217 I HN 0.271 nan 8.210 nan 0.000 0.402 218 S N 1.649 117.474 115.700 0.208 0.000 2.523 218 S HA -0.149 4.320 4.470 -0.001 0.000 0.226 218 S C 0.096 174.777 174.600 0.136 0.000 1.062 218 S CA 2.151 60.484 58.200 0.221 0.000 1.207 218 S CB -1.749 61.586 63.200 0.225 0.000 1.151 218 S HN 0.350 nan 8.310 nan 0.000 0.408 219 P HA -0.119 nan 4.420 nan 0.000 0.219 219 P C 1.352 178.695 177.300 0.072 0.000 1.149 219 P CA 0.968 64.112 63.100 0.073 0.000 0.835 219 P CB -0.168 31.563 31.700 0.052 0.000 0.778 220 V N -1.211 118.747 119.914 0.074 0.000 2.283 220 V HA -0.203 3.917 4.120 -0.001 0.000 0.243 220 V C 2.432 178.563 176.094 0.063 0.000 1.039 220 V CA 1.531 63.868 62.300 0.061 0.000 1.016 220 V CB -1.211 30.645 31.823 0.055 0.000 0.650 220 V HN 0.069 nan 8.190 nan 0.000 0.449 221 L N 0.797 122.067 121.223 0.079 0.000 1.989 221 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 221 L C 2.756 179.680 176.870 0.090 0.000 1.071 221 L CA 2.036 56.922 54.840 0.076 0.000 0.749 221 L CB -1.520 40.602 42.059 0.105 0.000 0.890 221 L HN 0.490 nan 8.230 nan 0.000 0.431 222 G N 0.206 109.073 108.800 0.112 0.000 2.507 222 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.221 222 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.221 222 G C 1.620 176.584 174.900 0.105 0.000 1.119 222 G CA 0.859 46.033 45.100 0.124 0.000 0.751 222 G HN 0.235 nan 8.290 nan 0.000 0.574 223 L N 1.186 122.455 121.223 0.076 0.000 1.988 223 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 223 L C 3.384 180.284 176.870 0.050 0.000 1.071 223 L CA 1.666 56.540 54.840 0.057 0.000 0.744 223 L CB -0.801 41.284 42.059 0.044 0.000 0.893 223 L HN 0.453 nan 8.230 nan 0.000 0.433 224 S N 0.349 116.076 115.700 0.045 0.000 2.387 224 S HA -0.238 4.231 4.470 -0.001 0.000 0.230 224 S C 2.112 176.732 174.600 0.034 0.000 1.035 224 S CA 1.055 59.278 58.200 0.039 0.000 1.014 224 S CB -0.601 62.601 63.200 0.004 0.000 0.836 224 S HN 0.384 nan 8.310 nan 0.000 0.466 225 A N 2.444 125.285 122.820 0.035 0.000 1.835 225 A HA 0.208 4.527 4.320 -0.001 0.000 0.215 225 A C 2.553 180.058 177.584 -0.132 0.000 1.199 225 A CA 1.746 53.776 52.037 -0.012 0.000 0.615 225 A CB -1.968 17.144 19.000 0.188 0.000 0.838 225 A HN 0.706 nan 8.150 nan 0.000 0.444 226 G N 0.022 108.834 108.800 0.020 0.000 2.574 226 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.220 226 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.220 226 G C 1.508 176.369 174.900 -0.065 0.000 1.173 226 G CA 1.484 46.590 45.100 0.010 0.000 0.772 226 G HN 0.505 nan 8.290 nan 0.000 0.585 227 I N -1.409 119.146 120.570 -0.026 0.000 2.054 227 I HA -0.125 4.044 4.170 -0.001 0.000 0.231 227 I C 2.530 178.610 176.117 -0.062 0.000 1.052 227 I CA 1.380 62.660 61.300 -0.033 0.000 1.320 227 I CB -0.511 37.493 38.000 0.007 0.000 1.063 227 I HN 0.275 nan 8.210 nan 0.000 0.393 228 W N 1.324 122.525 121.300 -0.164 0.000 2.290 228 W HA -0.354 4.306 4.660 -0.001 0.000 0.328 228 W C 2.749 179.125 176.519 -0.238 0.000 1.272 228 W CA 2.972 60.205 57.345 -0.188 0.000 1.262 228 W CB -0.574 28.772 29.460 -0.191 0.000 1.151 228 W HN 0.238 nan 8.180 nan 0.000 0.473 229 A N 0.159 122.930 122.820 -0.083 0.000 1.842 229 A HA -0.294 4.026 4.320 -0.001 0.000 0.217 229 A C 2.015 179.467 177.584 -0.219 0.000 1.206 229 A CA 2.491 54.349 52.037 -0.298 0.000 0.630 229 A CB -1.087 17.286 19.000 -1.044 0.000 0.839 229 A HN 0.164 nan 8.150 nan 0.000 0.447 230 K N -0.161 120.112 120.400 -0.211 0.000 2.160 230 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 230 K C 1.807 178.342 176.600 -0.109 0.000 1.047 230 K CA 1.261 57.489 56.287 -0.099 0.000 0.930 230 K CB -0.823 31.643 32.500 -0.056 0.000 0.720 230 K HN 0.686 nan 8.250 nan 0.000 0.450 231 I N 0.723 121.180 120.570 -0.188 0.000 2.076 231 I HA -0.312 3.858 4.170 -0.001 0.000 0.237 231 I C 2.183 178.175 176.117 -0.209 0.000 1.059 231 I CA 1.078 62.229 61.300 -0.248 0.000 1.317 231 I CB -0.341 37.378 38.000 -0.469 0.000 1.037 231 I HN 0.056 nan 8.210 nan 0.000 0.398 232 L N 0.250 121.292 121.223 -0.302 0.000 2.081 232 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 232 L C 2.722 179.623 176.870 0.053 0.000 1.080 232 L CA 1.789 56.530 54.840 -0.165 0.000 0.754 232 L CB -1.453 40.498 42.059 -0.181 0.000 0.893 232 L HN 0.277 nan 8.230 nan 0.000 0.433 233 S N 0.213 115.924 115.700 0.018 0.000 2.365 233 S HA -0.210 4.260 4.470 -0.001 0.000 0.225 233 S C 2.161 176.802 174.600 0.069 0.000 1.039 233 S CA 1.777 60.018 58.200 0.067 0.000 1.033 233 S CB -0.235 62.999 63.200 0.057 0.000 0.887 233 S HN 0.694 nan 8.310 nan 0.000 0.447 234 S N 1.319 117.041 115.700 0.037 0.000 2.356 234 S HA -0.138 4.332 4.470 -0.001 0.000 0.223 234 S C 1.670 176.296 174.600 0.042 0.000 1.032 234 S CA 1.133 59.344 58.200 0.019 0.000 1.005 234 S CB -0.973 62.222 63.200 -0.009 0.000 0.867 234 S HN 0.420 nan 8.310 nan 0.000 0.449 235 F N 2.841 122.739 119.950 -0.087 0.000 2.115 235 F HA -0.159 4.368 4.527 -0.001 0.000 0.300 235 F C 2.592 178.373 175.800 -0.033 0.000 1.092 235 F CA 1.995 59.947 58.000 -0.079 0.000 1.245 235 F CB -1.069 37.864 39.000 -0.112 0.000 0.995 235 F HN 0.212 nan 8.300 nan 0.000 0.481 236 T N -0.235 114.407 114.554 0.146 0.000 2.643 236 T HA -0.217 4.132 4.350 -0.001 0.000 0.264 236 T C 1.558 176.283 174.700 0.043 0.000 1.045 236 T CA 1.739 63.899 62.100 0.100 0.000 1.155 236 T CB -0.468 68.484 68.868 0.141 0.000 0.863 236 T HN 0.219 nan 8.240 nan 0.000 0.420 237 D N 0.762 121.193 120.400 0.051 0.000 2.126 237 D HA -0.116 4.524 4.640 -0.001 0.000 0.190 237 D C 2.222 178.540 176.300 0.030 0.000 1.001 237 D CA 1.007 55.056 54.000 0.080 0.000 0.841 237 D CB -0.268 40.559 40.800 0.044 0.000 0.949 237 D HN 0.146 nan 8.370 nan 0.000 0.446 238 K N 0.743 121.054 120.400 -0.148 0.000 2.059 238 K HA -0.201 4.118 4.320 -0.001 0.000 0.212 238 K C 1.782 178.319 176.600 -0.104 0.000 1.050 238 K CA 1.233 57.385 56.287 -0.224 0.000 0.927 238 K CB -0.130 32.196 32.500 -0.290 0.000 0.714 238 K HN 0.118 nan 8.250 nan 0.000 0.447 239 E N 0.929 121.046 120.200 -0.139 0.000 2.070 239 E HA -0.193 4.156 4.350 -0.001 0.000 0.197 239 E C 2.258 178.910 176.600 0.087 0.000 1.004 239 E CA 1.001 57.360 56.400 -0.069 0.000 0.805 239 E CB -0.431 29.223 29.700 -0.077 0.000 0.744 239 E HN 0.365 nan 8.360 nan 0.000 0.451 240 L N 0.205 121.524 121.223 0.159 0.000 2.083 240 L HA -0.220 4.119 4.340 -0.001 0.000 0.209 240 L C 2.481 179.468 176.870 0.194 0.000 1.083 240 L CA 1.245 56.228 54.840 0.239 0.000 0.752 240 L CB -0.471 41.708 42.059 0.199 0.000 0.899 240 L HN 0.185 nan 8.230 nan 0.000 0.433 241 H N -0.421 118.659 119.070 0.017 0.000 2.293 241 H HA -0.119 4.437 4.556 -0.001 0.000 0.300 241 H C 2.267 177.599 175.328 0.007 0.000 1.082 241 H CA 1.473 57.513 56.048 -0.012 0.000 1.308 241 H CB -0.450 29.297 29.762 -0.026 0.000 1.375 241 H HN 0.319 nan 8.280 nan 0.000 0.495 242 A N 0.567 123.480 122.820 0.155 0.000 1.940 242 A HA -0.266 4.054 4.320 -0.001 0.000 0.219 242 A C 2.244 179.916 177.584 0.148 0.000 1.176 242 A CA 1.775 53.869 52.037 0.096 0.000 0.631 242 A CB -1.326 17.700 19.000 0.044 0.000 0.814 242 A HN 0.688 nan 8.150 nan 0.000 0.446 243 Y N 0.362 120.669 120.300 0.011 0.000 2.014 243 Y HA -0.273 4.276 4.550 -0.001 0.000 0.270 243 Y C 2.715 178.614 175.900 -0.001 0.000 1.145 243 Y CA 1.606 59.709 58.100 0.005 0.000 1.106 243 Y CB -0.520 37.946 38.460 0.009 0.000 0.968 243 Y HN 0.377 nan 8.280 nan 0.000 0.484 244 A N 0.449 123.195 122.820 -0.123 0.000 1.954 244 A HA -0.385 3.935 4.320 -0.001 0.000 0.222 244 A C 2.043 179.583 177.584 -0.073 0.000 1.199 244 A CA 2.574 54.468 52.037 -0.239 0.000 0.657 244 A CB -0.941 17.910 19.000 -0.250 0.000 0.823 244 A HN 0.589 nan 8.150 nan 0.000 0.463 245 K N -0.611 119.787 120.400 -0.004 0.000 1.985 245 K HA 0.004 4.323 4.320 -0.001 0.000 0.210 245 K C 2.215 178.837 176.600 0.036 0.000 1.047 245 K CA 1.522 57.816 56.287 0.012 0.000 0.932 245 K CB -0.549 31.964 32.500 0.021 0.000 0.716 245 K HN 0.405 nan 8.250 nan 0.000 0.439 246 A N 0.104 122.970 122.820 0.077 0.000 1.986 246 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 246 A C 2.316 179.970 177.584 0.116 0.000 1.171 246 A CA 2.134 54.227 52.037 0.092 0.000 0.640 246 A CB -1.312 17.761 19.000 0.122 0.000 0.811 246 A HN 0.506 nan 8.150 nan 0.000 0.451 247 G N -1.051 107.830 108.800 0.135 0.000 2.448 247 G HA2 0.102 4.061 3.960 -0.001 0.000 0.218 247 G HA3 0.102 4.061 3.960 -0.001 0.000 0.218 247 G C 1.625 176.564 174.900 0.065 0.000 1.135 247 G CA 1.206 46.376 45.100 0.116 0.000 0.784 247 G HN 0.769 nan 8.290 nan 0.000 0.543 248 A N 0.296 123.137 122.820 0.035 0.000 1.897 248 A HA 0.159 4.478 4.320 -0.001 0.000 0.215 248 A C 2.287 179.913 177.584 0.070 0.000 1.181 248 A CA 1.379 53.437 52.037 0.034 0.000 0.620 248 A CB -0.411 18.597 19.000 0.013 0.000 0.821 248 A HN 0.235 nan 8.150 nan 0.000 0.443 249 V N -0.174 119.780 119.914 0.066 0.000 3.444 249 V HA 0.008 4.128 4.120 -0.001 0.000 0.271 249 V C 2.193 178.380 176.094 0.156 0.000 1.188 249 V CA 1.224 63.574 62.300 0.083 0.000 1.168 249 V CB -0.766 31.055 31.823 -0.003 0.000 0.810 249 V HN 0.580 nan 8.190 nan 0.000 0.500 250 A N -1.335 121.570 122.820 0.141 0.000 2.348 250 A HA 0.183 4.502 4.320 -0.001 0.000 0.224 250 A C 2.000 179.677 177.584 0.154 0.000 1.227 250 A CA 0.111 52.246 52.037 0.164 0.000 0.885 250 A CB 0.135 19.222 19.000 0.145 0.000 0.933 250 A HN 0.443 nan 8.150 nan 0.000 0.506 251 E N -0.207 120.072 120.200 0.132 0.000 2.067 251 E HA 0.208 4.558 4.350 -0.001 0.000 0.194 251 E C 0.066 176.745 176.600 0.131 0.000 0.950 251 E CA 0.566 57.027 56.400 0.101 0.000 0.872 251 E CB -0.042 29.691 29.700 0.055 0.000 0.877 251 E HN 0.417 nan 8.360 nan 0.000 0.470 252 E N -0.438 119.854 120.200 0.155 0.000 4.986 252 E HA -0.186 4.164 4.350 -0.001 0.000 0.189 252 E C -0.448 176.217 176.600 0.109 0.000 1.463 252 E CA 0.705 57.235 56.400 0.217 0.000 2.419 252 E CB -0.767 29.115 29.700 0.302 0.000 2.049 252 E HN 0.065 nan 8.360 nan 0.000 0.476 253 V N 1.007 120.935 119.914 0.024 0.000 3.036 253 V HA 0.356 4.475 4.120 -0.001 0.000 0.308 253 V C 0.752 176.705 176.094 -0.236 0.000 1.070 253 V CA 0.150 62.300 62.300 -0.250 0.000 1.056 253 V CB 0.766 32.131 31.823 -0.764 0.000 1.084 253 V HN 0.483 nan 8.190 nan 0.000 0.471 254 L N 1.162 122.242 121.223 -0.238 0.000 4.013 254 L HA 0.433 4.772 4.340 -0.001 0.000 0.387 254 L C 0.285 176.991 176.870 -0.274 0.000 1.204 254 L CA 0.315 55.024 54.840 -0.217 0.000 1.313 254 L CB -1.105 40.799 42.059 -0.259 0.000 1.538 254 L HN 0.659 nan 8.230 nan 0.000 0.625 255 A N 0.156 122.819 122.820 -0.262 0.000 2.624 255 A HA 0.856 5.176 4.320 -0.001 0.000 0.267 255 A C 1.308 178.764 177.584 -0.215 0.000 1.282 255 A CA 0.625 52.510 52.037 -0.253 0.000 0.934 255 A CB 0.766 19.649 19.000 -0.195 0.000 1.510 255 A HN 0.914 nan 8.150 nan 0.000 0.477 256 A N -2.029 120.694 122.820 -0.163 0.000 3.413 256 A HA -0.244 4.075 4.320 -0.001 0.000 0.268 256 A C 1.418 178.945 177.584 -0.094 0.000 1.128 256 A CA 1.716 53.684 52.037 -0.116 0.000 1.062 256 A CB -2.451 16.475 19.000 -0.124 0.000 1.121 256 A HN 2.067 nan 8.150 nan 0.000 0.895 257 I N 0.129 120.625 120.570 -0.124 0.000 2.227 257 I HA -0.319 3.851 4.170 -0.001 0.000 0.250 257 I C 2.057 178.201 176.117 0.045 0.000 1.087 257 I CA 2.816 64.091 61.300 -0.043 0.000 1.352 257 I CB -0.458 37.434 38.000 -0.180 0.000 1.043 257 I HN 0.568 nan 8.210 nan 0.000 0.425 258 R N -0.461 120.050 120.500 0.018 0.000 2.097 258 R HA -0.196 4.144 4.340 -0.001 0.000 0.236 258 R C 2.192 178.483 176.300 -0.015 0.000 1.135 258 R CA 2.515 58.596 56.100 -0.032 0.000 0.934 258 R CB -0.711 29.579 30.300 -0.017 0.000 0.846 258 R HN 0.450 nan 8.270 nan 0.000 0.431 259 T N 0.182 114.724 114.554 -0.020 0.000 2.803 259 T HA -0.105 4.245 4.350 -0.001 0.000 0.269 259 T C 1.702 176.389 174.700 -0.021 0.000 1.052 259 T CA 1.385 63.454 62.100 -0.052 0.000 1.136 259 T CB -0.073 68.719 68.868 -0.128 0.000 0.864 259 T HN 0.065 nan 8.240 nan 0.000 0.467 260 V N 0.897 120.832 119.914 0.034 0.000 3.041 260 V HA 0.036 4.156 4.120 -0.001 0.000 0.260 260 V C 2.196 178.427 176.094 0.229 0.000 1.105 260 V CA 0.596 63.006 62.300 0.184 0.000 1.125 260 V CB -0.456 31.468 31.823 0.167 0.000 0.730 260 V HN 0.410 nan 8.190 nan 0.000 0.479 261 I N 0.903 121.555 120.570 0.137 0.000 2.480 261 I HA 0.021 4.190 4.170 -0.001 0.000 0.251 261 I C 2.399 178.622 176.117 0.176 0.000 1.124 261 I CA 1.555 62.921 61.300 0.109 0.000 1.444 261 I CB -0.863 37.102 38.000 -0.058 0.000 1.098 261 I HN 0.324 nan 8.210 nan 0.000 0.428 262 A N -0.764 122.184 122.820 0.214 0.000 2.235 262 A HA -0.112 4.208 4.320 -0.001 0.000 0.208 262 A C 1.851 179.575 177.584 0.234 0.000 1.172 262 A CA 0.402 52.590 52.037 0.253 0.000 0.786 262 A CB -0.547 18.609 19.000 0.260 0.000 0.804 262 A HN 0.340 nan 8.150 nan 0.000 0.479 263 F N -0.776 119.194 119.950 0.034 0.000 2.343 263 F HA 0.398 4.924 4.527 -0.001 0.000 0.286 263 F C 1.728 177.551 175.800 0.040 0.000 1.057 263 F CA 1.133 59.148 58.000 0.024 0.000 1.365 263 F CB 0.256 39.273 39.000 0.028 0.000 1.114 263 F HN 0.322 nan 8.300 nan 0.000 0.545 264 G N -0.810 108.043 108.800 0.087 0.000 3.532 264 G HA2 0.277 4.236 3.960 -0.001 0.000 0.196 264 G HA3 0.277 4.236 3.960 -0.001 0.000 0.196 264 G C 0.350 175.236 174.900 -0.024 0.000 2.074 264 G CA -0.019 45.057 45.100 -0.041 0.000 1.323 264 G HN 1.126 nan 8.290 nan 0.000 0.439 265 G N -0.422 108.334 108.800 -0.073 0.000 1.875 265 G HA2 0.514 4.474 3.960 -0.001 0.000 0.218 265 G HA3 0.514 4.474 3.960 -0.001 0.000 0.218 265 G C 0.349 175.198 174.900 -0.086 0.000 1.648 265 G CA 0.716 45.802 45.100 -0.024 0.000 0.941 265 G HN 0.485 nan 8.290 nan 0.000 0.689 266 Q N 1.994 121.780 119.800 -0.024 0.000 1.927 266 Q HA -0.139 4.200 4.340 -0.001 0.000 0.210 266 Q C 1.936 177.844 176.000 -0.152 0.000 1.001 266 Q CA 2.089 57.863 55.803 -0.048 0.000 0.862 266 Q CB -0.296 28.458 28.738 0.026 0.000 0.934 266 Q HN 0.943 nan 8.270 nan 0.000 0.420 267 K N -1.455 118.774 120.400 -0.284 0.000 3.495 267 K HA -0.228 4.092 4.320 -0.001 0.000 0.288 267 K C 1.527 177.950 176.600 -0.295 0.000 0.908 267 K CA 1.724 57.805 56.287 -0.344 0.000 1.231 267 K CB -0.854 31.544 32.500 -0.170 0.000 1.399 267 K HN 0.086 nan 8.250 nan 0.000 0.465 268 K N 1.291 121.551 120.400 -0.234 0.000 2.424 268 K HA 0.125 4.445 4.320 -0.001 0.000 0.198 268 K C 1.317 177.773 176.600 -0.240 0.000 1.190 268 K CA 0.836 56.994 56.287 -0.215 0.000 0.935 268 K CB 0.517 32.931 32.500 -0.143 0.000 1.087 268 K HN 0.265 nan 8.250 nan 0.000 0.524 269 E N 1.417 121.479 120.200 -0.229 0.000 2.047 269 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 269 E C 2.068 178.459 176.600 -0.348 0.000 0.987 269 E CA 1.462 57.671 56.400 -0.320 0.000 0.799 269 E CB -0.179 29.396 29.700 -0.210 0.000 0.752 269 E HN 0.214 nan 8.360 nan 0.000 0.449 270 L N 0.754 121.848 121.223 -0.215 0.000 1.944 270 L HA -0.219 4.120 4.340 -0.001 0.000 0.218 270 L C 2.670 179.461 176.870 -0.132 0.000 1.075 270 L CA 1.642 56.422 54.840 -0.099 0.000 0.767 270 L CB -1.052 40.904 42.059 -0.172 0.000 0.890 270 L HN 0.000 nan 8.230 nan 0.000 0.434 271 E N 0.778 120.811 120.200 -0.279 0.000 2.065 271 E HA -0.324 4.025 4.350 -0.001 0.000 0.201 271 E C 2.295 178.774 176.600 -0.202 0.000 1.016 271 E CA 2.070 58.260 56.400 -0.351 0.000 0.818 271 E CB -0.122 29.140 29.700 -0.730 0.000 0.749 271 E HN 0.345 nan 8.360 nan 0.000 0.453 272 R N 0.185 120.566 120.500 -0.198 0.000 2.154 272 R HA -0.213 4.127 4.340 -0.001 0.000 0.236 272 R C 2.464 178.835 176.300 0.119 0.000 1.121 272 R CA 2.493 58.543 56.100 -0.083 0.000 0.915 272 R CB -1.503 28.699 30.300 -0.163 0.000 0.856 272 R HN 0.457 nan 8.270 nan 0.000 0.431 273 Y N 0.253 120.545 120.300 -0.013 0.000 2.181 273 Y HA -0.208 4.342 4.550 -0.001 0.000 0.288 273 Y C 2.280 178.192 175.900 0.020 0.000 1.146 273 Y CA 0.853 58.961 58.100 0.014 0.000 1.164 273 Y CB -0.385 38.098 38.460 0.038 0.000 0.982 273 Y HN 0.351 nan 8.280 nan 0.000 0.515 274 N N 0.812 119.616 118.700 0.173 0.000 2.004 274 N HA -0.267 4.473 4.740 -0.001 0.000 0.196 274 N C 1.350 176.912 175.510 0.087 0.000 1.080 274 N CA 1.621 54.743 53.050 0.121 0.000 0.881 274 N CB -0.544 37.995 38.487 0.087 0.000 1.073 274 N HN 0.225 nan 8.380 nan 0.000 0.439 275 N N 1.260 119.983 118.700 0.039 0.000 2.322 275 N HA -0.153 4.587 4.740 -0.001 0.000 0.189 275 N C 1.256 176.788 175.510 0.037 0.000 1.012 275 N CA 0.562 53.629 53.050 0.028 0.000 0.880 275 N CB -0.356 38.128 38.487 -0.005 0.000 0.967 275 N HN 0.279 nan 8.380 nan 0.000 0.439 276 N N 0.616 119.351 118.700 0.059 0.000 2.014 276 N HA -0.133 4.606 4.740 -0.001 0.000 0.194 276 N C 1.495 177.027 175.510 0.037 0.000 1.083 276 N CA 1.102 54.185 53.050 0.055 0.000 0.870 276 N CB -0.434 38.108 38.487 0.092 0.000 1.061 276 N HN 0.059 nan 8.380 nan 0.000 0.427 277 L N 1.777 123.027 121.223 0.044 0.000 2.043 277 L HA -0.127 4.213 4.340 -0.001 0.000 0.212 277 L C 2.446 179.333 176.870 0.028 0.000 1.075 277 L CA 1.508 56.369 54.840 0.035 0.000 0.752 277 L CB -1.535 40.554 42.059 0.050 0.000 0.891 277 L HN 0.398 nan 8.230 nan 0.000 0.432 278 E N -0.125 120.100 120.200 0.042 0.000 2.013 278 E HA -0.258 4.092 4.350 -0.001 0.000 0.202 278 E C 1.967 178.539 176.600 -0.048 0.000 1.018 278 E CA 1.444 57.843 56.400 -0.002 0.000 0.834 278 E CB -0.110 29.611 29.700 0.036 0.000 0.770 278 E HN 0.522 nan 8.360 nan 0.000 0.459 279 E N 0.525 120.717 120.200 -0.013 0.000 2.068 279 E HA -0.312 4.038 4.350 -0.001 0.000 0.207 279 E C 2.013 178.595 176.600 -0.030 0.000 1.032 279 E CA 1.141 57.532 56.400 -0.015 0.000 0.839 279 E CB -0.291 29.413 29.700 0.006 0.000 0.758 279 E HN 0.244 nan 8.360 nan 0.000 0.457 280 A N 1.762 124.571 122.820 -0.019 0.000 1.912 280 A HA -0.304 4.015 4.320 -0.001 0.000 0.217 280 A C 1.969 179.527 177.584 -0.042 0.000 1.309 280 A CA 2.485 54.510 52.037 -0.020 0.000 0.726 280 A CB -0.707 18.288 19.000 -0.009 0.000 0.840 280 A HN 0.093 nan 8.150 nan 0.000 0.473 281 K N -0.208 120.156 120.400 -0.060 0.000 2.574 281 K HA 0.008 4.327 4.320 -0.001 0.000 0.193 281 K C 1.953 178.446 176.600 -0.179 0.000 1.035 281 K CA 0.500 56.731 56.287 -0.093 0.000 0.982 281 K CB -0.085 32.373 32.500 -0.069 0.000 0.795 281 K HN 0.321 nan 8.250 nan 0.000 0.491 282 R N 0.467 120.867 120.500 -0.167 0.000 2.124 282 R HA -0.057 4.283 4.340 -0.001 0.000 0.215 282 R C 2.081 178.321 176.300 -0.100 0.000 1.145 282 R CA 1.395 57.392 56.100 -0.172 0.000 0.898 282 R CB -1.338 28.902 30.300 -0.099 0.000 0.790 282 R HN 0.195 nan 8.270 nan 0.000 0.458 283 L N -0.641 120.553 121.223 -0.050 0.000 2.137 283 L HA -0.068 4.271 4.340 -0.001 0.000 0.213 283 L C 2.181 179.027 176.870 -0.040 0.000 1.085 283 L CA 2.366 57.189 54.840 -0.028 0.000 0.760 283 L CB -1.867 40.196 42.059 0.007 0.000 0.893 283 L HN 0.293 nan 8.230 nan 0.000 0.434 284 G N 0.266 109.041 108.800 -0.042 0.000 2.524 284 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.215 284 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.215 284 G C 1.502 176.387 174.900 -0.025 0.000 1.239 284 G CA 0.747 45.829 45.100 -0.029 0.000 0.798 284 G HN 0.368 nan 8.290 nan 0.000 0.557 285 I N 0.502 121.045 120.570 -0.046 0.000 3.164 285 I HA 0.038 4.208 4.170 -0.001 0.000 0.278 285 I C 1.756 177.869 176.117 -0.007 0.000 1.320 285 I CA 1.030 62.320 61.300 -0.017 0.000 1.422 285 I CB -0.281 37.709 38.000 -0.016 0.000 1.066 285 I HN 0.015 nan 8.210 nan 0.000 0.503 286 K N 0.317 120.697 120.400 -0.034 0.000 2.379 286 K HA -0.021 4.299 4.320 -0.001 0.000 0.194 286 K C 1.876 178.457 176.600 -0.032 0.000 1.031 286 K CA 0.299 56.562 56.287 -0.038 0.000 1.037 286 K CB 0.053 32.519 32.500 -0.058 0.000 0.824 286 K HN 0.232 nan 8.250 nan 0.000 0.516 287 K N -0.130 120.268 120.400 -0.003 0.000 2.128 287 K HA 0.082 4.402 4.320 -0.001 0.000 0.202 287 K C 1.799 178.462 176.600 0.104 0.000 1.050 287 K CA 0.950 57.249 56.287 0.020 0.000 0.966 287 K CB 0.025 32.554 32.500 0.048 0.000 0.759 287 K HN 0.047 nan 8.250 nan 0.000 0.454 288 A N 1.486 124.385 122.820 0.131 0.000 2.066 288 A HA -0.034 4.286 4.320 -0.001 0.000 0.218 288 A C 1.938 179.612 177.584 0.148 0.000 1.157 288 A CA 0.613 52.768 52.037 0.196 0.000 0.670 288 A CB -0.311 18.782 19.000 0.155 0.000 0.804 288 A HN 0.260 nan 8.150 nan 0.000 0.453 289 I N 0.780 121.404 120.570 0.090 0.000 2.094 289 I HA -0.168 4.002 4.170 -0.001 0.000 0.234 289 I C 2.635 178.811 176.117 0.099 0.000 1.063 289 I CA 2.304 63.650 61.300 0.077 0.000 1.328 289 I CB -1.618 36.387 38.000 0.007 0.000 1.058 289 I HN 0.501 nan 8.210 nan 0.000 0.400 290 T N -0.804 113.776 114.554 0.044 0.000 3.219 290 T HA 0.069 4.419 4.350 -0.001 0.000 0.264 290 T C 1.341 176.159 174.700 0.197 0.000 1.178 290 T CA 0.852 62.995 62.100 0.073 0.000 1.057 290 T CB -0.356 68.489 68.868 -0.040 0.000 0.919 290 T HN 0.348 nan 8.240 nan 0.000 0.545 291 A N 1.000 123.935 122.820 0.192 0.000 2.192 291 A HA 0.252 4.571 4.320 -0.001 0.000 0.208 291 A C 2.281 180.009 177.584 0.241 0.000 1.220 291 A CA 0.195 52.363 52.037 0.217 0.000 0.900 291 A CB -0.264 18.859 19.000 0.205 0.000 0.937 291 A HN 0.488 nan 8.150 nan 0.000 0.487 292 N N 0.583 119.431 118.700 0.246 0.000 2.207 292 N HA -0.105 4.635 4.740 -0.001 0.000 0.182 292 N C 1.496 177.231 175.510 0.376 0.000 1.020 292 N CA 1.228 54.442 53.050 0.273 0.000 0.858 292 N CB -0.056 38.582 38.487 0.251 0.000 0.991 292 N HN 0.268 nan 8.380 nan 0.000 0.427 293 I N 1.533 122.337 120.570 0.390 0.000 2.072 293 I HA -0.190 3.980 4.170 -0.001 0.000 0.235 293 I C 2.233 178.707 176.117 0.596 0.000 1.058 293 I CA 1.052 62.687 61.300 0.558 0.000 1.320 293 I CB -1.551 36.670 38.000 0.368 0.000 1.047 293 I HN 0.065 nan 8.210 nan 0.000 0.397 294 S N 0.462 116.422 115.700 0.433 0.000 2.461 294 S HA -0.209 4.260 4.470 -0.001 0.000 0.246 294 S C 1.799 176.552 174.600 0.256 0.000 1.007 294 S CA 1.266 59.698 58.200 0.386 0.000 0.976 294 S CB -0.210 63.175 63.200 0.309 0.000 0.763 294 S HN 0.286 nan 8.310 nan 0.000 0.508 295 M N 0.839 120.603 119.600 0.272 0.000 2.248 295 M HA 0.184 4.663 4.480 -0.001 0.000 0.265 295 M C 2.421 178.829 176.300 0.180 0.000 1.079 295 M CA 0.879 56.300 55.300 0.202 0.000 1.150 295 M CB -1.838 30.890 32.600 0.214 0.000 1.366 295 M HN 0.316 nan 8.290 nan 0.000 0.433 296 G N -0.192 108.786 108.800 0.295 0.000 2.469 296 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.219 296 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.219 296 G C 1.639 176.287 174.900 -0.421 0.000 1.150 296 G CA 1.367 46.552 45.100 0.142 0.000 0.763 296 G HN 0.557 nan 8.290 nan 0.000 0.561 297 A N 1.090 123.638 122.820 -0.453 0.000 1.940 297 A HA 0.204 4.524 4.320 -0.001 0.000 0.219 297 A C 2.738 180.160 177.584 -0.270 0.000 1.176 297 A CA 2.389 54.231 52.037 -0.324 0.000 0.631 297 A CB -0.837 18.265 19.000 0.170 0.000 0.814 297 A HN 0.832 nan 8.150 nan 0.000 0.446 298 A N -0.744 121.975 122.820 -0.168 0.000 1.836 298 A HA 0.074 4.393 4.320 -0.001 0.000 0.212 298 A C 1.717 179.271 177.584 -0.050 0.000 1.243 298 A CA 1.495 53.431 52.037 -0.169 0.000 0.620 298 A CB -1.248 17.726 19.000 -0.044 0.000 0.889 298 A HN 0.440 nan 8.150 nan 0.000 0.463 299 F N 0.097 120.029 119.950 -0.029 0.000 2.079 299 F HA -0.284 4.242 4.527 -0.001 0.000 0.296 299 F C 2.232 178.038 175.800 0.010 0.000 1.084 299 F CA 1.990 59.985 58.000 -0.007 0.000 1.236 299 F CB -0.695 38.294 39.000 -0.017 0.000 0.984 299 F HN 0.142 nan 8.300 nan 0.000 0.488 300 L N -1.499 119.820 121.223 0.160 0.000 2.044 300 L HA -0.166 4.174 4.340 -0.001 0.000 0.205 300 L C 2.417 179.390 176.870 0.172 0.000 1.075 300 L CA 0.736 55.669 54.840 0.155 0.000 0.747 300 L CB -0.847 41.197 42.059 -0.026 0.000 0.903 300 L HN 0.175 nan 8.230 nan 0.000 0.435 301 L N 0.352 121.591 121.223 0.027 0.000 1.990 301 L HA -0.239 4.100 4.340 -0.001 0.000 0.213 301 L C 2.301 179.237 176.870 0.109 0.000 1.072 301 L CA 1.948 56.811 54.840 0.039 0.000 0.755 301 L CB -0.395 41.560 42.059 -0.172 0.000 0.889 301 L HN 0.053 nan 8.230 nan 0.000 0.432 302 I N -1.049 119.552 120.570 0.052 0.000 2.756 302 I HA -0.248 3.921 4.170 -0.001 0.000 0.262 302 I C 2.141 178.386 176.117 0.213 0.000 1.225 302 I CA 1.154 62.499 61.300 0.075 0.000 1.472 302 I CB -1.040 36.979 38.000 0.030 0.000 1.094 302 I HN 0.460 nan 8.210 nan 0.000 0.454 303 Y N 1.420 121.795 120.300 0.125 0.000 2.084 303 Y HA -0.252 4.297 4.550 -0.001 0.000 0.279 303 Y C 2.548 178.665 175.900 0.362 0.000 1.119 303 Y CA 1.528 59.714 58.100 0.143 0.000 1.101 303 Y CB -0.210 38.282 38.460 0.053 0.000 0.989 303 Y HN 0.071 nan 8.280 nan 0.000 0.484 304 A N -0.144 122.698 122.820 0.037 0.000 2.084 304 A HA -0.251 4.069 4.320 -0.001 0.000 0.221 304 A C 2.367 179.976 177.584 0.042 0.000 1.161 304 A CA 1.905 53.929 52.037 -0.021 0.000 0.653 304 A CB -1.296 17.796 19.000 0.153 0.000 0.802 304 A HN 0.642 nan 8.150 nan 0.000 0.457 305 S N -0.738 114.980 115.700 0.031 0.000 2.368 305 S HA -0.239 4.231 4.470 -0.001 0.000 0.224 305 S C 1.984 176.523 174.600 -0.102 0.000 1.029 305 S CA 1.604 59.686 58.200 -0.195 0.000 0.988 305 S CB -0.765 62.344 63.200 -0.152 0.000 0.838 305 S HN 0.905 nan 8.310 nan 0.000 0.462 306 Y N 2.219 122.457 120.300 -0.104 0.000 2.040 306 Y HA -0.172 4.378 4.550 -0.001 0.000 0.275 306 Y C 2.485 178.286 175.900 -0.165 0.000 1.171 306 Y CA 1.416 59.443 58.100 -0.121 0.000 1.123 306 Y CB -1.347 36.990 38.460 -0.204 0.000 0.963 306 Y HN 0.292 nan 8.280 nan 0.000 0.493 307 A N 1.662 123.558 122.820 -1.541 0.000 1.903 307 A HA -0.256 4.064 4.320 -0.001 0.000 0.219 307 A C 2.305 179.714 177.584 -0.292 0.000 1.191 307 A CA 2.177 53.405 52.037 -1.348 0.000 0.638 307 A CB -1.502 17.123 19.000 -0.625 0.000 0.823 307 A HN 0.765 nan 8.150 nan 0.000 0.451 308 L N -0.527 120.664 121.223 -0.053 0.000 1.924 308 L HA -0.166 4.173 4.340 -0.001 0.000 0.234 308 L C 2.679 179.689 176.870 0.233 0.000 1.090 308 L CA 2.753 57.778 54.840 0.308 0.000 0.816 308 L CB -0.835 41.197 42.059 -0.046 0.000 0.901 308 L HN 0.374 nan 8.230 nan 0.000 0.433 309 A N -1.035 121.834 122.820 0.081 0.000 2.009 309 A HA -0.299 4.021 4.320 -0.001 0.000 0.222 309 A C 2.094 179.717 177.584 0.065 0.000 1.175 309 A CA 2.179 54.269 52.037 0.087 0.000 0.651 309 A CB -1.424 17.636 19.000 0.099 0.000 0.815 309 A HN 0.673 nan 8.150 nan 0.000 0.459 310 F N -1.174 118.638 119.950 -0.230 0.000 2.014 310 F HA -0.309 4.217 4.527 -0.001 0.000 0.299 310 F C 2.320 177.849 175.800 -0.451 0.000 1.224 310 F CA 2.312 60.017 58.000 -0.492 0.000 1.200 310 F CB -0.545 37.816 39.000 -1.064 0.000 0.948 310 F HN 0.440 nan 8.300 nan 0.000 0.520 311 W N -1.478 119.863 121.300 0.068 0.000 2.321 311 W HA -0.292 4.368 4.660 -0.000 0.000 0.306 311 W C 2.286 178.677 176.519 -0.213 0.000 1.217 311 W CA 0.721 58.022 57.345 -0.074 0.000 1.257 311 W CB -0.913 28.638 29.460 0.152 0.000 1.145 311 W HN 0.230 nan 8.180 nan 0.000 0.509 312 Y N 1.109 121.248 120.300 -0.269 0.000 2.026 312 Y HA -0.241 4.308 4.550 -0.001 0.000 0.253 312 Y C 2.598 178.287 175.900 -0.351 0.000 1.098 312 Y CA 2.099 59.809 58.100 -0.650 0.000 1.074 312 Y CB -1.268 36.620 38.460 -0.953 0.000 0.971 312 Y HN -0.074 nan 8.280 nan 0.000 0.482 313 G N -1.342 107.342 108.800 -0.193 0.000 2.562 313 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.223 313 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.223 313 G C 1.625 176.356 174.900 -0.282 0.000 1.102 313 G CA 1.722 46.694 45.100 -0.212 0.000 0.742 313 G HN 0.501 nan 8.290 nan 0.000 0.587 314 T N 1.037 115.355 114.554 -0.394 0.000 2.639 314 T HA -0.093 4.256 4.350 -0.001 0.000 0.261 314 T C 2.892 177.424 174.700 -0.281 0.000 1.053 314 T CA 1.633 63.462 62.100 -0.451 0.000 1.158 314 T CB -0.436 68.168 68.868 -0.440 0.000 0.863 314 T HN 0.357 nan 8.240 nan 0.000 0.413 315 S N 1.750 117.282 115.700 -0.280 0.000 2.368 315 S HA -0.151 4.318 4.470 -0.001 0.000 0.226 315 S C 1.990 176.486 174.600 -0.174 0.000 1.044 315 S CA 1.345 59.377 58.200 -0.281 0.000 1.062 315 S CB -0.860 62.198 63.200 -0.238 0.000 0.931 315 S HN 0.315 nan 8.310 nan 0.000 0.440 316 L N 1.688 122.758 121.223 -0.255 0.000 1.971 316 L HA -0.117 4.222 4.340 -0.001 0.000 0.215 316 L C 1.550 178.367 176.870 -0.089 0.000 1.072 316 L CA 1.415 56.133 54.840 -0.202 0.000 0.758 316 L CB -0.362 41.509 42.059 -0.313 0.000 0.889 316 L HN 0.188 nan 8.230 nan 0.000 0.433 317 V N 0.604 120.471 119.914 -0.079 0.000 3.564 317 V HA -0.105 4.015 4.120 -0.001 0.000 0.283 317 V C 1.370 177.512 176.094 0.080 0.000 1.227 317 V CA 0.562 62.875 62.300 0.022 0.000 1.217 317 V CB -0.253 31.608 31.823 0.063 0.000 0.994 317 V HN 0.455 nan 8.190 nan 0.000 0.446 318 I N -1.285 119.316 120.570 0.052 0.000 4.655 318 I HA 0.183 4.352 4.170 -0.001 0.000 0.333 318 I C 1.634 177.864 176.117 0.188 0.000 1.312 318 I CA 0.813 62.186 61.300 0.123 0.000 1.270 318 I CB 0.969 39.007 38.000 0.063 0.000 1.318 318 I HN 0.227 nan 8.210 nan 0.000 0.456 319 S N 0.566 116.343 115.700 0.128 0.000 2.483 319 S HA 0.150 4.619 4.470 -0.001 0.000 0.221 319 S C 1.522 176.148 174.600 0.044 0.000 1.030 319 S CA 0.263 58.519 58.200 0.093 0.000 0.925 319 S CB 0.832 64.080 63.200 0.081 0.000 0.795 319 S HN 0.327 nan 8.310 nan 0.000 0.511 320 K N 1.587 122.011 120.400 0.040 0.000 2.165 320 K HA 0.131 4.450 4.320 -0.001 0.000 0.213 320 K C 0.807 177.439 176.600 0.053 0.000 1.036 320 K CA 0.310 56.616 56.287 0.032 0.000 0.981 320 K CB -0.177 32.336 32.500 0.021 0.000 1.059 320 K HN 0.408 nan 8.250 nan 0.000 0.457 321 E N 0.139 120.386 120.200 0.078 0.000 2.359 321 E HA 0.002 4.351 4.350 -0.001 0.000 0.255 321 E C -0.609 176.109 176.600 0.198 0.000 1.191 321 E CA -0.805 55.667 56.400 0.121 0.000 0.952 321 E CB 0.159 29.932 29.700 0.122 0.000 1.152 321 E HN 0.277 nan 8.360 nan 0.000 0.496 322 Y N 0.543 120.879 120.300 0.061 0.000 3.007 322 Y HA -0.253 4.297 4.550 -0.001 0.000 0.212 322 Y C -0.746 175.190 175.900 0.061 0.000 1.180 322 Y CA 0.613 58.752 58.100 0.064 0.000 1.076 322 Y CB -1.768 36.735 38.460 0.073 0.000 1.254 322 Y HN 0.402 nan 8.280 nan 0.000 0.534 323 S N 1.925 117.615 115.700 -0.017 0.000 2.670 323 S HA 0.267 4.737 4.470 -0.001 0.000 0.328 323 S C 0.993 175.506 174.600 -0.145 0.000 1.179 323 S CA 0.279 58.457 58.200 -0.036 0.000 1.194 323 S CB -0.343 62.850 63.200 -0.012 0.000 1.359 323 S HN 0.529 nan 8.310 nan 0.000 0.555 324 I N -0.704 119.737 120.570 -0.214 0.000 4.774 324 I HA 0.425 4.595 4.170 -0.001 0.000 0.330 324 I C 1.347 177.421 176.117 -0.071 0.000 1.287 324 I CA -0.212 60.949 61.300 -0.233 0.000 1.311 324 I CB -1.098 36.601 38.000 -0.502 0.000 1.315 324 I HN 0.530 nan 8.210 nan 0.000 0.459 325 G N 1.651 110.481 108.800 0.050 0.000 2.203 325 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.263 325 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.263 325 G C 0.729 175.630 174.900 0.002 0.000 1.012 325 G CA 0.993 46.159 45.100 0.111 0.000 0.749 325 G HN 0.446 nan 8.290 nan 0.000 0.512 326 Q N -0.925 118.847 119.800 -0.048 0.000 2.139 326 Q HA 0.421 4.761 4.340 -0.001 0.000 0.219 326 Q C 2.113 178.181 176.000 0.114 0.000 0.805 326 Q CA 0.708 56.502 55.803 -0.015 0.000 1.024 326 Q CB 0.510 29.193 28.738 -0.092 0.000 1.163 326 Q HN 0.651 nan 8.270 nan 0.000 0.485 327 V N -0.880 119.126 119.914 0.153 0.000 2.809 327 V HA -0.141 3.979 4.120 -0.001 0.000 0.256 327 V C 1.990 178.271 176.094 0.312 0.000 1.080 327 V CA 0.830 63.337 62.300 0.345 0.000 1.102 327 V CB -0.942 30.971 31.823 0.151 0.000 0.705 327 V HN 0.310 nan 8.190 nan 0.000 0.475 328 L N 1.472 122.833 121.223 0.229 0.000 1.981 328 L HA -0.277 4.063 4.340 -0.001 0.000 0.237 328 L C 2.535 179.635 176.870 0.384 0.000 1.095 328 L CA 3.108 58.131 54.840 0.305 0.000 0.820 328 L CB -1.435 40.786 42.059 0.271 0.000 0.914 328 L HN 0.372 nan 8.230 nan 0.000 0.442 329 T N -0.341 114.431 114.554 0.363 0.000 2.616 329 T HA -0.331 4.018 4.350 -0.001 0.000 0.261 329 T C 1.666 176.574 174.700 0.347 0.000 1.105 329 T CA 3.024 65.358 62.100 0.390 0.000 1.159 329 T CB -1.043 67.966 68.868 0.235 0.000 0.856 329 T HN 0.385 nan 8.240 nan 0.000 0.449 330 V N 0.737 120.810 119.914 0.265 0.000 2.244 330 V HA -0.150 3.969 4.120 -0.001 0.000 0.235 330 V C 1.979 178.170 176.094 0.162 0.000 1.026 330 V CA 2.046 64.435 62.300 0.147 0.000 0.990 330 V CB -1.504 30.358 31.823 0.065 0.000 0.640 330 V HN 0.311 nan 8.190 nan 0.000 0.463 331 F N 0.264 120.213 119.950 -0.002 0.000 2.048 331 F HA -0.278 4.249 4.527 -0.001 0.000 0.296 331 F C 2.344 178.293 175.800 0.248 0.000 1.109 331 F CA 2.407 60.361 58.000 -0.076 0.000 1.214 331 F CB -1.265 37.337 39.000 -0.663 0.000 0.963 331 F HN 0.067 nan 8.300 nan 0.000 0.491 332 F N 0.154 120.322 119.950 0.363 0.000 2.085 332 F HA -0.381 4.146 4.527 -0.001 0.000 0.299 332 F C 2.785 178.745 175.800 0.267 0.000 1.096 332 F CA 1.833 60.159 58.000 0.542 0.000 1.227 332 F CB -0.466 38.797 39.000 0.439 0.000 0.983 332 F HN 0.034 nan 8.300 nan 0.000 0.482 333 S N -0.715 115.133 115.700 0.246 0.000 2.368 333 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 333 S C 2.086 176.688 174.600 0.002 0.000 1.029 333 S CA 1.171 59.405 58.200 0.056 0.000 0.988 333 S CB -0.736 62.535 63.200 0.120 0.000 0.838 333 S HN 0.331 nan 8.310 nan 0.000 0.462 334 V N 1.874 121.816 119.914 0.047 0.000 2.324 334 V HA -0.146 3.974 4.120 -0.001 0.000 0.250 334 V C 2.289 178.361 176.094 -0.035 0.000 1.060 334 V CA 2.191 64.499 62.300 0.013 0.000 1.042 334 V CB -0.545 31.283 31.823 0.010 0.000 0.650 334 V HN 0.653 nan 8.190 nan 0.000 0.450 335 L N -0.400 120.800 121.223 -0.039 0.000 2.013 335 L HA -0.208 4.132 4.340 -0.001 0.000 0.212 335 L C 2.377 178.941 176.870 -0.511 0.000 1.073 335 L CA 2.237 56.905 54.840 -0.287 0.000 0.753 335 L CB -0.469 41.373 42.059 -0.361 0.000 0.890 335 L HN 0.269 nan 8.230 nan 0.000 0.432 336 I N 0.397 120.707 120.570 -0.433 0.000 2.236 336 I HA -0.283 3.886 4.170 -0.001 0.000 0.249 336 I C 2.598 178.616 176.117 -0.164 0.000 1.102 336 I CA 1.603 62.701 61.300 -0.336 0.000 1.365 336 I CB -2.304 35.576 38.000 -0.200 0.000 1.051 336 I HN 0.464 nan 8.210 nan 0.000 0.420 337 G N 0.578 109.315 108.800 -0.104 0.000 2.480 337 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.216 337 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.216 337 G C 1.881 176.777 174.900 -0.006 0.000 1.200 337 G CA 1.482 46.569 45.100 -0.021 0.000 0.782 337 G HN 0.513 nan 8.290 nan 0.000 0.554 338 A N 0.736 123.537 122.820 -0.032 0.000 1.859 338 A HA -0.068 4.252 4.320 -0.001 0.000 0.218 338 A C 2.250 179.917 177.584 0.139 0.000 1.209 338 A CA 1.794 53.856 52.037 0.042 0.000 0.639 338 A CB -0.971 18.047 19.000 0.029 0.000 0.835 338 A HN 0.411 nan 8.150 nan 0.000 0.450 339 F N 1.113 120.993 119.950 -0.117 0.000 2.085 339 F HA -0.334 4.193 4.527 -0.001 0.000 0.299 339 F C 3.014 178.743 175.800 -0.119 0.000 1.096 339 F CA 1.371 59.282 58.000 -0.148 0.000 1.227 339 F CB -0.461 38.437 39.000 -0.170 0.000 0.983 339 F HN 0.428 nan 8.300 nan 0.000 0.482 340 S N 0.016 115.776 115.700 0.099 0.000 2.399 340 S HA -0.146 4.323 4.470 -0.001 0.000 0.231 340 S C 1.747 176.331 174.600 -0.027 0.000 1.022 340 S CA 1.208 59.405 58.200 -0.006 0.000 0.983 340 S CB -1.096 62.086 63.200 -0.030 0.000 0.803 340 S HN 0.202 nan 8.310 nan 0.000 0.480 341 V N 2.379 122.296 119.914 0.005 0.000 2.594 341 V HA -0.068 4.051 4.120 -0.001 0.000 0.253 341 V C 2.740 178.822 176.094 -0.019 0.000 1.069 341 V CA 1.608 63.901 62.300 -0.011 0.000 1.082 341 V CB -1.691 30.140 31.823 0.013 0.000 0.680 341 V HN 0.640 nan 8.190 nan 0.000 0.469 342 G N -0.499 108.296 108.800 -0.009 0.000 2.484 342 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.215 342 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.215 342 G C 1.401 176.269 174.900 -0.053 0.000 1.219 342 G CA 0.628 45.709 45.100 -0.033 0.000 0.791 342 G HN 0.446 nan 8.290 nan 0.000 0.550 343 Q N 0.830 120.587 119.800 -0.071 0.000 2.133 343 Q HA -0.182 4.158 4.340 -0.001 0.000 0.208 343 Q C 2.915 178.870 176.000 -0.076 0.000 0.991 343 Q CA 1.675 57.431 55.803 -0.078 0.000 0.867 343 Q CB -1.186 27.491 28.738 -0.103 0.000 0.911 343 Q HN 0.448 nan 8.270 nan 0.000 0.417 344 A N 0.777 123.543 122.820 -0.090 0.000 1.892 344 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 344 A C 2.437 179.979 177.584 -0.070 0.000 1.188 344 A CA 2.281 54.263 52.037 -0.092 0.000 0.631 344 A CB -0.947 17.990 19.000 -0.105 0.000 0.822 344 A HN 0.400 nan 8.150 nan 0.000 0.447 345 S N -0.171 115.495 115.700 -0.057 0.000 2.353 345 S HA -0.099 4.370 4.470 -0.001 0.000 0.222 345 S C -0.140 174.442 174.600 -0.031 0.000 1.035 345 S CA 1.797 59.970 58.200 -0.045 0.000 1.025 345 S CB -1.005 62.179 63.200 -0.026 0.000 0.902 345 S HN 0.403 nan 8.310 nan 0.000 0.440 346 P HA -0.011 nan 4.420 nan 0.000 0.217 346 P C 0.852 178.152 177.300 -0.000 0.000 1.150 346 P CA 1.245 64.342 63.100 -0.005 0.000 0.832 346 P CB -0.226 31.474 31.700 0.001 0.000 0.787 347 N N -0.897 117.799 118.700 -0.007 0.000 2.061 347 N HA -0.160 4.579 4.740 -0.001 0.000 0.193 347 N C 1.599 177.123 175.510 0.023 0.000 1.030 347 N CA 0.812 53.866 53.050 0.006 0.000 0.856 347 N CB -0.392 38.094 38.487 -0.002 0.000 1.023 347 N HN -0.005 nan 8.380 nan 0.000 0.424 348 I N 1.626 122.192 120.570 -0.007 0.000 2.127 348 I HA -0.265 3.904 4.170 -0.001 0.000 0.241 348 I C 2.479 178.590 176.117 -0.011 0.000 1.075 348 I CA 1.344 62.630 61.300 -0.023 0.000 1.334 348 I CB -1.227 36.712 38.000 -0.101 0.000 1.040 348 I HN 0.326 nan 8.210 nan 0.000 0.405 349 E N 1.251 121.439 120.200 -0.019 0.000 2.068 349 E HA -0.306 4.044 4.350 -0.001 0.000 0.207 349 E C 2.248 178.863 176.600 0.025 0.000 1.032 349 E CA 2.218 58.612 56.400 -0.011 0.000 0.839 349 E CB -0.132 29.568 29.700 0.000 0.000 0.758 349 E HN 0.414 nan 8.360 nan 0.000 0.457 350 A N 0.792 123.637 122.820 0.042 0.000 1.881 350 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 350 A C 2.107 179.751 177.584 0.100 0.000 1.215 350 A CA 1.966 54.036 52.037 0.056 0.000 0.648 350 A CB -1.313 17.707 19.000 0.033 0.000 0.832 350 A HN 0.583 nan 8.150 nan 0.000 0.455 351 F N 0.885 120.781 119.950 -0.090 0.000 2.008 351 F HA -0.207 4.320 4.527 -0.001 0.000 0.297 351 F C 2.692 178.371 175.800 -0.202 0.000 1.156 351 F CA 1.491 59.415 58.000 -0.127 0.000 1.191 351 F CB -1.271 37.651 39.000 -0.131 0.000 0.955 351 F HN 0.321 nan 8.300 nan 0.000 0.497 352 A N 0.342 123.239 122.820 0.129 0.000 1.929 352 A HA -0.368 3.951 4.320 -0.001 0.000 0.221 352 A C 1.992 179.550 177.584 -0.043 0.000 1.211 352 A CA 2.606 54.585 52.037 -0.096 0.000 0.657 352 A CB -1.508 17.389 19.000 -0.172 0.000 0.827 352 A HN 0.692 nan 8.150 nan 0.000 0.462 353 N N 0.039 118.747 118.700 0.014 0.000 2.025 353 N HA -0.032 4.708 4.740 -0.001 0.000 0.194 353 N C 1.943 177.489 175.510 0.060 0.000 1.044 353 N CA 1.822 54.894 53.050 0.036 0.000 0.851 353 N CB -0.454 38.062 38.487 0.049 0.000 1.036 353 N HN 0.497 nan 8.380 nan 0.000 0.422 354 A N 0.886 123.752 122.820 0.078 0.000 1.978 354 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 354 A C 2.120 179.797 177.584 0.154 0.000 1.170 354 A CA 1.660 53.797 52.037 0.167 0.000 0.636 354 A CB -0.595 18.526 19.000 0.202 0.000 0.810 354 A HN 0.270 nan 8.150 nan 0.000 0.448 355 R N -0.675 119.630 120.500 -0.325 0.000 2.082 355 R HA -0.035 4.305 4.340 -0.001 0.000 0.228 355 R C 2.347 178.640 176.300 -0.012 0.000 1.140 355 R CA 1.930 57.459 56.100 -0.951 0.000 0.920 355 R CB -1.153 28.638 30.300 -0.848 0.000 0.828 355 R HN 0.346 nan 8.270 nan 0.000 0.430 356 G N 0.171 109.018 108.800 0.077 0.000 2.649 356 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.220 356 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.220 356 G C 1.480 176.567 174.900 0.312 0.000 1.189 356 G CA 1.624 46.932 45.100 0.348 0.000 0.777 356 G HN 0.621 nan 8.290 nan 0.000 0.602 357 A N 1.222 124.171 122.820 0.215 0.000 1.862 357 A HA 0.096 4.415 4.320 -0.001 0.000 0.214 357 A C 2.874 180.601 177.584 0.239 0.000 1.228 357 A CA 3.399 55.551 52.037 0.192 0.000 0.665 357 A CB -1.414 17.695 19.000 0.182 0.000 0.845 357 A HN 1.331 nan 8.150 nan 0.000 0.459 358 A N -1.044 121.995 122.820 0.366 0.000 1.908 358 A HA -0.148 4.171 4.320 -0.001 0.000 0.211 358 A C 2.035 179.885 177.584 0.443 0.000 1.225 358 A CA 2.673 54.959 52.037 0.415 0.000 0.689 358 A CB -1.656 17.656 19.000 0.521 0.000 0.843 358 A HN 1.531 nan 8.150 nan 0.000 0.472 359 Y N 0.702 121.195 120.300 0.322 0.000 2.110 359 Y HA -0.397 4.152 4.550 -0.001 0.000 0.258 359 Y C 1.986 177.945 175.900 0.099 0.000 1.271 359 Y CA 2.892 61.025 58.100 0.055 0.000 1.080 359 Y CB -0.986 37.509 38.460 0.058 0.000 0.892 359 Y HN 0.548 nan 8.280 nan 0.000 0.510 360 E N -0.100 119.733 120.200 -0.611 0.000 2.006 360 E HA -0.110 4.240 4.350 -0.001 0.000 0.192 360 E C 1.923 178.424 176.600 -0.164 0.000 0.993 360 E CA 1.869 57.923 56.400 -0.576 0.000 0.808 360 E CB -0.266 29.133 29.700 -0.501 0.000 0.764 360 E HN 0.491 nan 8.360 nan 0.000 0.449 361 V N -0.182 119.700 119.914 -0.054 0.000 3.513 361 V HA 0.054 4.174 4.120 -0.001 0.000 0.311 361 V C 0.913 176.962 176.094 -0.076 0.000 1.218 361 V CA 0.498 62.780 62.300 -0.031 0.000 1.266 361 V CB -0.695 31.133 31.823 0.008 0.000 1.074 361 V HN 0.178 nan 8.190 nan 0.000 0.421 362 F N 0.954 120.782 119.950 -0.204 0.000 2.602 362 F HA 0.411 4.937 4.527 -0.001 0.000 0.284 362 F C 1.960 177.637 175.800 -0.205 0.000 1.111 362 F CA 0.575 58.428 58.000 -0.245 0.000 1.405 362 F CB 0.401 39.333 39.000 -0.115 0.000 1.121 362 F HN 0.017 nan 8.300 nan 0.000 0.603 363 K N 0.491 121.002 120.400 0.185 0.000 2.365 363 K HA 0.049 4.369 4.320 -0.001 0.000 0.199 363 K C 1.849 178.443 176.600 -0.011 0.000 1.045 363 K CA 1.133 57.475 56.287 0.091 0.000 0.962 363 K CB 0.020 32.528 32.500 0.014 0.000 0.759 363 K HN 0.360 nan 8.250 nan 0.000 0.469 364 I N 0.276 120.815 120.570 -0.052 0.000 2.852 364 I HA -0.141 4.029 4.170 -0.001 0.000 0.264 364 I C 1.756 177.802 176.117 -0.118 0.000 1.179 364 I CA 0.582 61.851 61.300 -0.051 0.000 1.480 364 I CB 0.055 38.037 38.000 -0.030 0.000 1.111 364 I HN 0.076 nan 8.210 nan 0.000 0.441 365 I N 0.516 120.862 120.570 -0.374 0.000 2.716 365 I HA -0.197 3.973 4.170 -0.001 0.000 0.222 365 I C 1.963 177.812 176.117 -0.447 0.000 1.055 365 I CA 1.048 61.884 61.300 -0.773 0.000 1.397 365 I CB -0.478 36.741 38.000 -1.301 0.000 1.230 365 I HN 0.023 nan 8.210 nan 0.000 0.412 366 D N 1.555 121.535 120.400 -0.700 0.000 2.435 366 D HA -0.221 4.419 4.640 -0.001 0.000 0.206 366 D C 0.288 176.494 176.300 -0.157 0.000 1.055 366 D CA 1.726 55.461 54.000 -0.443 0.000 0.908 366 D CB -0.845 39.686 40.800 -0.448 0.000 1.151 366 D HN 0.492 nan 8.370 nan 0.000 0.479 367 N N 1.247 119.892 118.700 -0.091 0.000 1.517 367 N HA -0.249 4.491 4.740 -0.001 0.000 0.397 367 N C -0.697 174.815 175.510 0.004 0.000 1.159 367 N CA 0.781 53.819 53.050 -0.020 0.000 0.765 367 N CB 0.276 38.760 38.487 -0.006 0.000 0.958 367 N HN 0.200 nan 8.380 nan 0.000 0.546 368 K N 2.826 123.233 120.400 0.012 0.000 3.082 368 K HA 0.240 4.560 4.320 -0.001 0.000 0.203 368 K C -1.460 175.140 176.600 0.001 0.000 1.177 368 K CA -1.483 54.816 56.287 0.021 0.000 1.041 368 K CB 0.695 33.205 32.500 0.017 0.000 1.312 368 K HN 0.465 nan 8.250 nan 0.000 0.526 369 P HA -0.302 nan 4.420 nan 0.000 0.203 369 P C 0.818 178.113 177.300 -0.008 0.000 1.087 369 P CA 1.895 65.004 63.100 0.014 0.000 0.952 369 P CB 0.163 31.891 31.700 0.046 0.000 0.758 370 S N -1.419 114.293 115.700 0.021 0.000 3.927 370 S HA -0.352 4.118 4.470 -0.001 0.000 0.618 370 S C 1.137 175.727 174.600 -0.017 0.000 2.201 370 S CA 1.062 59.271 58.200 0.016 0.000 4.160 370 S CB -1.646 61.549 63.200 -0.009 0.000 0.266 370 S HN 0.217 nan 8.310 nan 0.000 0.760 371 I N 1.051 121.581 120.570 -0.066 0.000 3.899 371 I HA -0.277 3.892 4.170 -0.001 0.000 0.144 371 I C 0.965 177.083 176.117 0.001 0.000 0.379 371 I CA 2.263 63.525 61.300 -0.063 0.000 1.237 371 I CB -2.890 35.070 38.000 -0.067 0.000 1.087 371 I HN 1.079 nan 8.210 nan 0.000 0.213 372 D N 0.638 121.046 120.400 0.013 0.000 2.323 372 D HA 0.119 4.759 4.640 -0.001 0.000 0.239 372 D C 1.180 177.493 176.300 0.022 0.000 1.129 372 D CA 1.238 55.248 54.000 0.016 0.000 0.865 372 D CB 0.175 40.975 40.800 -0.000 0.000 0.913 372 D HN 0.690 nan 8.370 nan 0.000 0.517 373 S N -1.856 113.882 115.700 0.062 0.000 6.757 373 S HA 0.038 4.508 4.470 -0.001 0.000 0.075 373 S C 0.345 175.082 174.600 0.229 0.000 1.317 373 S CA -0.024 58.235 58.200 0.098 0.000 1.266 373 S CB -0.374 62.858 63.200 0.052 0.000 1.612 373 S HN 0.262 nan 8.310 nan 0.000 0.531 374 F N 1.015 120.975 119.950 0.016 0.000 2.183 374 F HA -0.039 4.487 4.527 -0.001 0.000 0.318 374 F C -0.602 175.211 175.800 0.022 0.000 0.131 374 F CA 0.804 58.818 58.000 0.023 0.000 0.912 374 F CB -1.001 38.016 39.000 0.028 0.000 4.135 374 F HN 0.832 nan 8.300 nan 0.000 0.137 375 S N 1.742 117.193 115.700 -0.416 0.000 3.040 375 S HA 0.205 4.675 4.470 -0.001 0.000 0.135 375 S C -0.885 173.279 174.600 -0.727 0.000 0.857 375 S CA -0.532 57.439 58.200 -0.382 0.000 0.850 375 S CB 0.656 63.762 63.200 -0.156 0.000 1.514 375 S HN 0.625 nan 8.310 nan 0.000 0.622 376 K N 0.239 120.034 120.400 -1.008 0.000 2.318 376 K HA 0.640 4.959 4.320 -0.001 0.000 0.265 376 K C 1.162 177.579 176.600 -0.305 0.000 1.055 376 K CA -0.432 55.396 56.287 -0.765 0.000 0.896 376 K CB 1.122 32.866 32.500 -1.259 0.000 1.479 376 K HN 0.153 nan 8.250 nan 0.000 0.449 377 S N -0.032 115.595 115.700 -0.122 0.000 1.736 377 S HA -0.244 4.226 4.470 -0.001 0.000 0.536 377 S C 0.945 175.548 174.600 0.005 0.000 0.915 377 S CA 2.676 60.863 58.200 -0.021 0.000 3.375 377 S CB -1.185 62.030 63.200 0.025 0.000 2.348 377 S HN 1.122 nan 8.310 nan 0.000 0.574 378 G N 0.095 108.917 108.800 0.036 0.000 2.568 378 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.222 378 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.222 378 G C -0.444 174.481 174.900 0.041 0.000 1.321 378 G CA 0.351 45.480 45.100 0.048 0.000 0.893 378 G HN 1.026 nan 8.290 nan 0.000 0.569 379 H N 0.849 119.881 119.070 -0.063 0.000 2.529 379 H HA 0.675 5.230 4.556 -0.001 0.000 0.348 379 H C -0.466 174.722 175.328 -0.232 0.000 1.152 379 H CA -1.021 54.962 56.048 -0.108 0.000 1.202 379 H CB 1.061 30.777 29.762 -0.077 0.000 1.562 379 H HN 0.309 nan 8.280 nan 0.000 0.515 380 K N 5.306 125.743 120.400 0.061 0.000 2.572 380 K HA 0.221 4.540 4.320 -0.001 0.000 0.244 380 K C -2.854 173.554 176.600 -0.320 0.000 0.965 380 K CA -1.972 54.069 56.287 -0.409 0.000 0.943 380 K CB 1.955 34.248 32.500 -0.345 0.000 1.154 380 K HN 0.546 nan 8.250 nan 0.000 0.447 381 P HA 0.235 nan 4.420 nan 0.000 0.234 381 P C -0.801 176.471 177.300 -0.047 0.000 1.799 381 P CA -0.300 62.688 63.100 -0.187 0.000 1.118 381 P CB 0.465 32.060 31.700 -0.175 0.000 1.827 382 D N 1.425 121.822 120.400 -0.006 0.000 2.336 382 D HA -0.073 4.566 4.640 -0.001 0.000 0.229 382 D C 1.345 177.694 176.300 0.082 0.000 1.061 382 D CA 0.530 54.600 54.000 0.117 0.000 0.875 382 D CB -0.520 40.342 40.800 0.103 0.000 0.904 382 D HN 0.416 nan 8.370 nan 0.000 0.525 383 N N 0.847 119.576 118.700 0.048 0.000 2.443 383 N HA -0.116 4.623 4.740 -0.001 0.000 0.184 383 N C 0.545 176.081 175.510 0.043 0.000 1.037 383 N CA 0.306 53.377 53.050 0.035 0.000 0.896 383 N CB -0.269 38.230 38.487 0.020 0.000 0.959 383 N HN 0.117 nan 8.380 nan 0.000 0.442 384 I N -2.994 117.617 120.570 0.068 0.000 9.022 384 I HA -0.385 3.784 4.170 -0.001 0.000 0.274 384 I C 0.277 176.419 176.117 0.041 0.000 1.980 384 I CA 0.780 62.118 61.300 0.062 0.000 2.005 384 I CB -1.450 36.574 38.000 0.040 0.000 3.895 384 I HN 0.339 nan 8.210 nan 0.000 0.250 385 Q N 1.097 120.913 119.800 0.027 0.000 2.855 385 Q HA 0.251 4.591 4.340 -0.001 0.000 0.359 385 Q C -0.155 175.856 176.000 0.018 0.000 1.513 385 Q CA 1.998 57.812 55.803 0.018 0.000 0.649 385 Q CB -0.353 28.392 28.738 0.012 0.000 1.373 385 Q HN 1.899 nan 8.270 nan 0.000 0.608 386 G N 1.904 110.713 108.800 0.014 0.000 2.321 386 G HA2 0.365 4.325 3.960 -0.001 0.000 0.298 386 G HA3 0.365 4.325 3.960 -0.001 0.000 0.298 386 G C -1.670 173.237 174.900 0.013 0.000 1.385 386 G CA -0.484 44.624 45.100 0.013 0.000 0.856 386 G HN 0.745 nan 8.290 nan 0.000 0.584 387 N N -0.896 117.812 118.700 0.013 0.000 2.430 387 N HA 0.713 5.453 4.740 -0.001 0.000 0.298 387 N C -0.431 175.094 175.510 0.026 0.000 1.130 387 N CA -0.656 52.400 53.050 0.011 0.000 0.894 387 N CB 1.660 40.150 38.487 0.005 0.000 1.209 387 N HN 0.399 nan 8.380 nan 0.000 0.503 388 L N 1.146 122.382 121.223 0.021 0.000 2.418 388 L HA 0.330 4.670 4.340 -0.001 0.000 0.265 388 L C 0.181 177.098 176.870 0.078 0.000 1.143 388 L CA 0.161 55.040 54.840 0.064 0.000 0.809 388 L CB 0.398 42.472 42.059 0.026 0.000 1.124 388 L HN 0.504 nan 8.230 nan 0.000 0.456 389 E N 3.180 123.490 120.200 0.182 0.000 2.621 389 E HA 0.217 4.567 4.350 -0.001 0.000 0.263 389 E C -1.232 175.578 176.600 0.350 0.000 1.033 389 E CA 0.017 56.526 56.400 0.183 0.000 0.778 389 E CB 0.823 30.587 29.700 0.107 0.000 1.426 389 E HN 0.346 nan 8.360 nan 0.000 0.394 390 F N 2.251 122.209 119.950 0.013 0.000 2.404 390 F HA 0.242 4.768 4.527 -0.001 0.000 0.359 390 F C 0.926 176.740 175.800 0.023 0.000 1.134 390 F CA -0.378 57.633 58.000 0.018 0.000 1.160 390 F CB 0.807 39.824 39.000 0.028 0.000 1.186 390 F HN -0.107 nan 8.300 nan 0.000 0.526 391 K N 3.036 123.526 120.400 0.149 0.000 2.339 391 K HA 0.127 4.446 4.320 -0.001 0.000 0.264 391 K C -0.205 176.446 176.600 0.085 0.000 0.986 391 K CA -0.925 55.424 56.287 0.104 0.000 0.866 391 K CB 1.227 33.773 32.500 0.077 0.000 1.103 391 K HN 0.571 nan 8.250 nan 0.000 0.441 392 N N 3.322 122.077 118.700 0.091 0.000 2.666 392 N HA -0.179 4.561 4.740 -0.001 0.000 0.274 392 N C -0.743 174.854 175.510 0.145 0.000 1.043 392 N CA 0.427 53.539 53.050 0.103 0.000 0.782 392 N CB -0.591 37.971 38.487 0.125 0.000 0.912 392 N HN 0.549 nan 8.380 nan 0.000 0.556 393 I N -0.821 119.802 120.570 0.089 0.000 2.362 393 I HA 0.485 4.654 4.170 -0.001 0.000 0.289 393 I C -0.187 175.997 176.117 0.111 0.000 0.994 393 I CA -0.736 60.638 61.300 0.122 0.000 1.158 393 I CB 1.090 39.084 38.000 -0.011 0.000 1.315 393 I HN 0.154 nan 8.210 nan 0.000 0.451 394 H N 6.255 125.363 119.070 0.063 0.000 2.502 394 H HA 0.817 5.372 4.556 -0.001 0.000 0.338 394 H C -1.089 174.333 175.328 0.156 0.000 1.155 394 H CA -0.608 55.487 56.048 0.077 0.000 1.237 394 H CB 1.915 31.703 29.762 0.044 0.000 1.534 394 H HN 0.687 nan 8.280 nan 0.000 0.523 395 F N 0.150 120.131 119.950 0.052 0.000 2.704 395 F HA 0.396 4.922 4.527 -0.001 0.000 0.312 395 F C -1.531 174.232 175.800 -0.062 0.000 1.108 395 F CA -0.398 57.594 58.000 -0.013 0.000 1.005 395 F CB 1.291 40.252 39.000 -0.065 0.000 1.277 395 F HN 0.520 nan 8.300 nan 0.000 0.445 396 S N 4.336 119.279 115.700 -1.262 0.000 2.542 396 S HA 0.564 5.034 4.470 -0.001 0.000 0.293 396 S C -0.874 172.809 174.600 -1.527 0.000 1.089 396 S CA -0.423 57.152 58.200 -1.042 0.000 0.961 396 S CB 0.847 63.777 63.200 -0.450 0.000 1.062 396 S HN 0.688 nan 8.310 nan 0.000 0.483 397 Y N 2.966 122.756 120.300 -0.849 0.000 2.554 397 Y HA 0.037 4.586 4.550 -0.001 0.000 0.353 397 Y C -0.582 175.187 175.900 -0.218 0.000 1.269 397 Y CA -0.992 56.851 58.100 -0.428 0.000 1.494 397 Y CB 0.442 38.809 38.460 -0.155 0.000 1.365 397 Y HN 0.625 nan 8.280 nan 0.000 0.664 398 P HA -0.159 nan 4.420 nan 0.000 0.218 398 P C 0.131 177.468 177.300 0.062 0.000 1.146 398 P CA 1.314 64.543 63.100 0.214 0.000 0.813 398 P CB -0.027 31.838 31.700 0.276 0.000 0.778 399 S N 1.247 116.964 115.700 0.028 0.000 4.027 399 S HA 0.064 4.534 4.470 -0.001 0.000 0.188 399 S C 1.345 175.932 174.600 -0.022 0.000 1.230 399 S CA -0.134 58.058 58.200 -0.013 0.000 0.920 399 S CB -0.898 62.291 63.200 -0.019 0.000 1.577 399 S HN 0.009 nan 8.310 nan 0.000 0.445 400 R N 2.351 122.838 120.500 -0.022 0.000 2.724 400 R HA -0.313 4.026 4.340 -0.001 0.000 0.175 400 R C 1.833 178.106 176.300 -0.044 0.000 0.664 400 R CA 2.503 58.584 56.100 -0.031 0.000 0.715 400 R CB -0.312 29.976 30.300 -0.020 0.000 0.633 400 R HN 0.566 nan 8.270 nan 0.000 0.451 401 K N -0.809 119.567 120.400 -0.041 0.000 2.425 401 K HA 0.135 4.454 4.320 -0.001 0.000 0.201 401 K C 0.012 176.584 176.600 -0.048 0.000 1.128 401 K CA 0.189 56.451 56.287 -0.041 0.000 1.000 401 K CB 0.204 32.687 32.500 -0.028 0.000 0.961 401 K HN 0.111 nan 8.250 nan 0.000 0.555 402 E N 1.842 122.013 120.200 -0.047 0.000 2.458 402 E HA -0.037 4.313 4.350 -0.001 0.000 0.264 402 E C -0.242 176.308 176.600 -0.083 0.000 1.097 402 E CA 0.168 56.539 56.400 -0.048 0.000 0.973 402 E CB 0.597 30.282 29.700 -0.025 0.000 0.963 402 E HN 0.032 nan 8.360 nan 0.000 0.451 403 V N 2.942 122.813 119.914 -0.073 0.000 2.788 403 V HA -0.091 4.028 4.120 -0.001 0.000 0.307 403 V C 0.071 176.088 176.094 -0.130 0.000 1.069 403 V CA -0.234 62.019 62.300 -0.078 0.000 1.173 403 V CB 0.716 32.507 31.823 -0.053 0.000 0.925 403 V HN 0.579 nan 8.190 nan 0.000 0.492 404 Q N 6.185 125.919 119.800 -0.110 0.000 2.580 404 Q HA -0.012 4.327 4.340 -0.001 0.000 0.232 404 Q C 0.906 176.838 176.000 -0.113 0.000 1.326 404 Q CA 0.028 55.744 55.803 -0.144 0.000 0.887 404 Q CB -0.537 28.175 28.738 -0.043 0.000 1.617 404 Q HN 0.720 nan 8.270 nan 0.000 0.554 405 I N 0.838 121.301 120.570 -0.179 0.000 2.130 405 I HA -0.350 3.819 4.170 -0.001 0.000 0.241 405 I C 1.231 177.314 176.117 -0.058 0.000 1.023 405 I CA 1.436 62.653 61.300 -0.139 0.000 1.293 405 I CB -0.534 37.324 38.000 -0.237 0.000 1.001 405 I HN 0.502 nan 8.210 nan 0.000 0.407 406 L N 3.270 124.493 121.223 -0.001 0.000 2.401 406 L HA 0.046 4.386 4.340 -0.001 0.000 0.283 406 L C 1.164 178.030 176.870 -0.007 0.000 1.151 406 L CA 0.295 55.154 54.840 0.033 0.000 0.942 406 L CB -0.334 41.786 42.059 0.102 0.000 1.283 406 L HN 0.481 nan 8.230 nan 0.000 0.442 407 K N 2.008 122.382 120.400 -0.043 0.000 2.911 407 K HA 0.281 4.601 4.320 -0.001 0.000 0.239 407 K C 0.372 176.795 176.600 -0.295 0.000 1.090 407 K CA 0.177 56.416 56.287 -0.081 0.000 1.225 407 K CB -0.053 32.431 32.500 -0.026 0.000 1.087 407 K HN 0.595 nan 8.250 nan 0.000 0.464 408 G N 1.598 110.030 108.800 -0.614 0.000 2.780 408 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.364 408 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.364 408 G C -1.099 173.617 174.900 -0.306 0.000 1.045 408 G CA -0.559 43.930 45.100 -1.018 0.000 1.202 408 G HN 0.342 nan 8.290 nan 0.000 0.534 409 L N 2.178 123.314 121.223 -0.144 0.000 2.386 409 L HA 0.752 5.091 4.340 -0.001 0.000 0.271 409 L C -1.079 175.841 176.870 0.083 0.000 0.993 409 L CA -0.939 53.917 54.840 0.027 0.000 0.819 409 L CB 1.930 44.075 42.059 0.142 0.000 1.294 409 L HN 0.460 nan 8.230 nan 0.000 0.414 410 N N 5.238 123.990 118.700 0.086 0.000 2.269 410 N HA 0.744 5.483 4.740 -0.001 0.000 0.304 410 N C -1.432 174.136 175.510 0.096 0.000 1.072 410 N CA -0.391 52.718 53.050 0.098 0.000 0.802 410 N CB 3.178 41.697 38.487 0.054 0.000 1.348 410 N HN 0.702 nan 8.380 nan 0.000 0.484 411 L N 0.962 122.254 121.223 0.115 0.000 2.789 411 L HA 0.418 4.758 4.340 -0.001 0.000 0.258 411 L C -1.897 174.987 176.870 0.024 0.000 0.966 411 L CA -0.729 54.133 54.840 0.035 0.000 0.916 411 L CB 1.873 43.926 42.059 -0.009 0.000 1.475 411 L HN 0.601 nan 8.230 nan 0.000 0.418 412 K N 2.375 122.753 120.400 -0.036 0.000 2.512 412 K HA 0.819 5.139 4.320 -0.001 0.000 0.263 412 K C -1.693 174.861 176.600 -0.076 0.000 0.966 412 K CA -0.989 55.280 56.287 -0.031 0.000 0.851 412 K CB 2.927 35.424 32.500 -0.004 0.000 1.395 412 K HN 0.244 nan 8.250 nan 0.000 0.440 413 V N 2.072 121.944 119.914 -0.070 0.000 2.653 413 V HA 0.252 4.372 4.120 -0.001 0.000 0.298 413 V C -1.446 174.621 176.094 -0.045 0.000 1.097 413 V CA -0.780 61.474 62.300 -0.076 0.000 0.908 413 V CB 1.735 33.485 31.823 -0.122 0.000 1.024 413 V HN 0.720 nan 8.190 nan 0.000 0.435 414 K N 2.902 123.281 120.400 -0.035 0.000 2.285 414 K HA 0.323 4.643 4.320 -0.001 0.000 0.255 414 K C 0.840 177.428 176.600 -0.020 0.000 1.000 414 K CA 0.655 56.929 56.287 -0.022 0.000 0.887 414 K CB 0.244 32.732 32.500 -0.021 0.000 0.997 414 K HN 0.917 nan 8.250 nan 0.000 0.510 415 S N -0.384 115.308 115.700 -0.012 0.000 2.626 415 S HA 0.283 4.752 4.470 -0.001 0.000 0.257 415 S C 1.430 176.023 174.600 -0.012 0.000 1.288 415 S CA -0.245 57.950 58.200 -0.010 0.000 0.980 415 S CB 0.249 63.447 63.200 -0.004 0.000 0.975 415 S HN 0.941 nan 8.310 nan 0.000 0.577 416 G N -0.041 108.753 108.800 -0.010 0.000 2.298 416 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.271 416 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.271 416 G C 0.378 175.269 174.900 -0.015 0.000 1.004 416 G CA 1.432 46.526 45.100 -0.011 0.000 0.664 416 G HN 0.833 nan 8.290 nan 0.000 0.553 417 Q N -0.520 119.269 119.800 -0.019 0.000 2.527 417 Q HA 0.529 4.868 4.340 -0.001 0.000 0.189 417 Q C 0.527 176.512 176.000 -0.027 0.000 1.116 417 Q CA 0.778 56.566 55.803 -0.024 0.000 1.169 417 Q CB 0.578 29.297 28.738 -0.031 0.000 1.211 417 Q HN 0.589 nan 8.270 nan 0.000 0.649 418 T N -2.458 112.077 114.554 -0.032 0.000 3.483 418 T HA 0.415 4.764 4.350 -0.001 0.000 0.329 418 T C -1.413 173.261 174.700 -0.043 0.000 1.014 418 T CA -0.763 61.317 62.100 -0.034 0.000 1.056 418 T CB 0.918 69.771 68.868 -0.024 0.000 1.090 418 T HN 0.354 nan 8.240 nan 0.000 0.460 419 V N 3.446 123.328 119.914 -0.054 0.000 2.581 419 V HA 0.916 5.035 4.120 -0.001 0.000 0.303 419 V C 0.049 176.110 176.094 -0.056 0.000 1.041 419 V CA -0.373 61.888 62.300 -0.065 0.000 0.907 419 V CB 1.265 33.035 31.823 -0.088 0.000 0.994 419 V HN 1.411 nan 8.190 nan 0.000 0.442 420 A N 6.813 129.597 122.820 -0.059 0.000 2.292 420 A HA 0.818 5.138 4.320 -0.001 0.000 0.319 420 A C -1.148 176.421 177.584 -0.025 0.000 1.206 420 A CA -0.533 51.479 52.037 -0.042 0.000 0.835 420 A CB 0.849 19.820 19.000 -0.049 0.000 1.164 420 A HN 0.758 nan 8.150 nan 0.000 0.505 421 L N 2.649 123.884 121.223 0.021 0.000 2.307 421 L HA 0.565 4.905 4.340 -0.001 0.000 0.284 421 L C -0.057 176.878 176.870 0.108 0.000 1.023 421 L CA -0.362 54.547 54.840 0.115 0.000 0.810 421 L CB 1.860 44.032 42.059 0.188 0.000 1.231 421 L HN 0.579 nan 8.230 nan 0.000 0.423 422 V N 0.416 120.420 119.914 0.150 0.000 2.376 422 V HA 1.053 5.173 4.120 -0.001 0.000 0.287 422 V C 0.026 176.249 176.094 0.214 0.000 1.015 422 V CA -0.185 62.208 62.300 0.155 0.000 0.834 422 V CB 0.739 32.669 31.823 0.179 0.000 1.001 422 V HN 0.763 nan 8.190 nan 0.000 0.428 423 G N 2.964 111.876 108.800 0.186 0.000 2.866 423 G HA2 0.642 4.602 3.960 -0.001 0.000 0.289 423 G HA3 0.642 4.602 3.960 -0.001 0.000 0.289 423 G C -0.582 174.441 174.900 0.205 0.000 1.396 423 G CA -0.143 45.082 45.100 0.208 0.000 0.848 423 G HN 0.631 nan 8.290 nan 0.000 0.515 424 N N -2.276 116.538 118.700 0.189 0.000 2.329 424 N HA -0.059 4.681 4.740 -0.001 0.000 0.303 424 N C 1.742 177.330 175.510 0.130 0.000 0.752 424 N CA 0.738 53.910 53.050 0.203 0.000 0.890 424 N CB 0.134 38.706 38.487 0.141 0.000 1.999 424 N HN 0.440 nan 8.380 nan 0.000 1.182 425 S N 0.703 116.459 115.700 0.094 0.000 2.894 425 S HA 0.352 4.822 4.470 -0.001 0.000 0.231 425 S C 1.113 175.748 174.600 0.060 0.000 0.971 425 S CA 0.395 58.634 58.200 0.065 0.000 1.005 425 S CB -1.375 61.857 63.200 0.053 0.000 0.799 425 S HN 0.678 nan 8.310 nan 0.000 0.527 426 G N 0.180 109.025 108.800 0.075 0.000 2.740 426 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.250 426 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.250 426 G C 0.278 175.188 174.900 0.016 0.000 1.358 426 G CA -0.625 44.510 45.100 0.059 0.000 0.897 426 G HN 1.402 nan 8.290 nan 0.000 0.567 427 C N -1.193 118.110 119.300 0.006 0.000 4.432 427 C HA 0.054 4.513 4.460 -0.001 0.000 0.294 427 C C 1.954 176.857 174.990 -0.144 0.000 1.398 427 C CA 1.840 60.820 59.018 -0.064 0.000 1.988 427 C CB -2.008 25.700 27.740 -0.054 0.000 1.251 427 C HN 2.586 nan 8.230 nan 0.000 0.791 428 G N -1.043 107.657 108.800 -0.166 0.000 3.686 428 G HA2 0.276 4.236 3.960 -0.001 0.000 0.132 428 G HA3 0.276 4.236 3.960 -0.001 0.000 0.132 428 G C 0.786 175.456 174.900 -0.383 0.000 1.319 428 G CA 0.548 45.473 45.100 -0.291 0.000 1.060 428 G HN 0.314 nan 8.290 nan 0.000 0.487 429 K N 2.073 122.161 120.400 -0.521 0.000 1.975 429 K HA -0.287 4.032 4.320 -0.001 0.000 0.233 429 K C 2.763 179.219 176.600 -0.240 0.000 0.991 429 K CA 3.021 59.024 56.287 -0.474 0.000 1.022 429 K CB -1.226 31.149 32.500 -0.207 0.000 0.723 429 K HN 0.517 nan 8.250 nan 0.000 0.473 430 S N 0.088 115.713 115.700 -0.125 0.000 2.393 430 S HA -0.302 4.167 4.470 -0.001 0.000 0.234 430 S C 2.066 176.641 174.600 -0.041 0.000 1.064 430 S CA 2.389 60.560 58.200 -0.049 0.000 1.088 430 S CB -1.658 61.547 63.200 0.007 0.000 0.939 430 S HN 0.479 nan 8.310 nan 0.000 0.448 431 T N 2.307 116.816 114.554 -0.075 0.000 2.720 431 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 431 T C 2.243 176.866 174.700 -0.128 0.000 1.037 431 T CA 1.976 64.018 62.100 -0.096 0.000 1.144 431 T CB -1.505 67.251 68.868 -0.186 0.000 0.864 431 T HN 0.828 nan 8.240 nan 0.000 0.444 432 T N 1.633 116.123 114.554 -0.107 0.000 2.746 432 T HA -0.070 4.279 4.350 -0.001 0.000 0.267 432 T C 2.069 176.843 174.700 0.123 0.000 1.039 432 T CA 0.910 63.032 62.100 0.038 0.000 1.142 432 T CB -1.042 67.987 68.868 0.268 0.000 0.866 432 T HN 0.234 nan 8.240 nan 0.000 0.444 433 V N 1.465 121.415 119.914 0.061 0.000 2.828 433 V HA -0.156 3.963 4.120 -0.001 0.000 0.260 433 V C 2.673 178.794 176.094 0.045 0.000 1.101 433 V CA 1.509 63.848 62.300 0.065 0.000 1.123 433 V CB -0.904 30.927 31.823 0.014 0.000 0.704 433 V HN 0.365 nan 8.190 nan 0.000 0.493 434 Q N 0.822 120.626 119.800 0.007 0.000 1.864 434 Q HA -0.079 4.260 4.340 -0.001 0.000 0.219 434 Q C 2.124 178.119 176.000 -0.008 0.000 0.975 434 Q CA 1.995 57.804 55.803 0.010 0.000 0.862 434 Q CB -0.687 28.051 28.738 -0.000 0.000 0.913 434 Q HN 0.630 nan 8.270 nan 0.000 0.431 435 L N -0.821 120.338 121.223 -0.106 0.000 2.450 435 L HA -0.067 4.273 4.340 -0.001 0.000 0.225 435 L C 1.863 178.671 176.870 -0.104 0.000 1.145 435 L CA 1.306 56.065 54.840 -0.136 0.000 0.801 435 L CB -0.740 41.123 42.059 -0.326 0.000 0.924 435 L HN 0.286 nan 8.230 nan 0.000 0.447 436 M N 0.286 119.867 119.600 -0.032 0.000 2.748 436 M HA -0.060 4.420 4.480 -0.001 0.000 0.241 436 M C 1.134 177.458 176.300 0.041 0.000 1.080 436 M CA 1.362 56.699 55.300 0.062 0.000 1.068 436 M CB -0.905 31.840 32.600 0.243 0.000 1.536 436 M HN 0.525 nan 8.290 nan 0.000 0.540 437 Q N -1.317 118.490 119.800 0.011 0.000 2.093 437 Q HA 0.271 4.611 4.340 -0.001 0.000 0.217 437 Q C 0.291 176.290 176.000 -0.000 0.000 0.785 437 Q CA -0.288 55.523 55.803 0.013 0.000 1.038 437 Q CB 0.682 29.430 28.738 0.017 0.000 1.190 437 Q HN 0.314 nan 8.270 nan 0.000 0.468 438 R N 0.498 120.988 120.500 -0.017 0.000 4.016 438 R HA -0.238 4.101 4.340 -0.001 0.000 0.385 438 R C 1.083 177.375 176.300 -0.013 0.000 1.158 438 R CA 0.491 56.578 56.100 -0.021 0.000 1.117 438 R CB -1.373 28.923 30.300 -0.006 0.000 1.635 438 R HN 0.404 nan 8.270 nan 0.000 0.560 439 L N -0.319 120.908 121.223 0.006 0.000 2.085 439 L HA -0.219 4.121 4.340 -0.001 0.000 0.218 439 L C 0.348 177.163 176.870 -0.092 0.000 1.080 439 L CA 2.256 57.085 54.840 -0.017 0.000 0.776 439 L CB -0.443 41.696 42.059 0.133 0.000 0.891 439 L HN 0.209 nan 8.230 nan 0.000 0.437 440 Y N -1.377 118.851 120.300 -0.121 0.000 2.457 440 Y HA 0.338 4.888 4.550 -0.001 0.000 0.343 440 Y C -0.003 175.809 175.900 -0.147 0.000 0.994 440 Y CA -1.977 56.066 58.100 -0.096 0.000 1.031 440 Y CB 0.903 39.299 38.460 -0.107 0.000 1.246 440 Y HN -0.096 nan 8.280 nan 0.000 0.449 441 D N 4.507 124.963 120.400 0.093 0.000 2.372 441 D HA 0.194 4.833 4.640 -0.001 0.000 0.243 441 D C -2.361 173.952 176.300 0.021 0.000 1.121 441 D CA -1.088 52.932 54.000 0.033 0.000 0.898 441 D CB 0.631 41.464 40.800 0.056 0.000 1.202 441 D HN 0.158 nan 8.370 nan 0.000 0.428 442 P HA -0.023 nan 4.420 nan 0.000 0.267 442 P C 0.832 178.217 177.300 0.142 0.000 1.205 442 P CA -0.077 63.018 63.100 -0.009 0.000 0.765 442 P CB 0.958 32.624 31.700 -0.057 0.000 0.828 443 L N 1.471 122.878 121.223 0.308 0.000 2.017 443 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 443 L C 0.868 177.813 176.870 0.125 0.000 1.073 443 L CA 1.931 56.918 54.840 0.246 0.000 0.745 443 L CB -0.077 42.128 42.059 0.244 0.000 0.894 443 L HN 0.504 nan 8.230 nan 0.000 0.432 444 D N -3.135 117.342 120.400 0.130 0.000 2.602 444 D HA 0.492 5.131 4.640 -0.001 0.000 0.236 444 D C -0.095 176.269 176.300 0.106 0.000 1.209 444 D CA 0.521 54.557 54.000 0.061 0.000 0.831 444 D CB 1.699 42.456 40.800 -0.071 0.000 1.478 444 D HN 0.275 nan 8.370 nan 0.000 0.438 445 G N 0.661 109.500 108.800 0.066 0.000 2.512 445 G HA2 0.141 4.100 3.960 -0.001 0.000 0.254 445 G HA3 0.141 4.100 3.960 -0.001 0.000 0.254 445 G C -0.120 174.801 174.900 0.034 0.000 1.199 445 G CA 0.693 45.840 45.100 0.078 0.000 0.941 445 G HN 1.401 nan 8.290 nan 0.000 0.569 446 M N -2.851 116.756 119.600 0.012 0.000 3.277 446 M HA 0.700 5.180 4.480 -0.001 0.000 0.282 446 M C -1.188 175.073 176.300 -0.065 0.000 1.009 446 M CA -0.447 54.836 55.300 -0.029 0.000 0.822 446 M CB 1.484 34.081 32.600 -0.006 0.000 1.620 446 M HN 2.284 nan 8.290 nan 0.000 0.557 447 V N 0.096 119.959 119.914 -0.084 0.000 3.007 447 V HA 0.950 5.070 4.120 -0.001 0.000 0.311 447 V C -1.611 174.477 176.094 -0.009 0.000 1.120 447 V CA 0.325 62.578 62.300 -0.078 0.000 0.980 447 V CB 2.192 33.860 31.823 -0.258 0.000 1.033 447 V HN 1.230 nan 8.190 nan 0.000 0.429 448 S N 4.443 120.173 115.700 0.051 0.000 2.547 448 S HA 0.777 5.246 4.470 -0.001 0.000 0.281 448 S C -1.155 173.482 174.600 0.062 0.000 1.118 448 S CA -0.536 57.689 58.200 0.041 0.000 0.947 448 S CB 1.518 64.740 63.200 0.036 0.000 1.053 448 S HN 1.036 nan 8.310 nan 0.000 0.482 449 I N 3.473 124.063 120.570 0.033 0.000 2.793 449 I HA 0.462 4.632 4.170 -0.001 0.000 0.313 449 I C 0.911 177.039 176.117 0.019 0.000 0.998 449 I CA 0.592 61.915 61.300 0.038 0.000 1.140 449 I CB 1.447 39.465 38.000 0.029 0.000 1.327 449 I HN 1.086 nan 8.210 nan 0.000 0.491 450 D N 3.308 123.720 120.400 0.021 0.000 3.750 450 D HA -0.280 4.360 4.640 -0.001 0.000 0.149 450 D C 0.890 177.197 176.300 0.013 0.000 0.867 450 D CA 2.195 56.203 54.000 0.013 0.000 1.010 450 D CB -1.268 39.533 40.800 0.002 0.000 0.462 450 D HN 0.776 nan 8.370 nan 0.000 0.436 451 G N -0.352 108.451 108.800 0.004 0.000 3.377 451 G HA2 0.361 4.321 3.960 -0.001 0.000 0.257 451 G HA3 0.361 4.321 3.960 -0.001 0.000 0.257 451 G C 0.139 175.038 174.900 -0.002 0.000 1.038 451 G CA 0.286 45.389 45.100 0.006 0.000 0.809 451 G HN 0.473 nan 8.290 nan 0.000 0.526 452 Q N 0.234 120.021 119.800 -0.021 0.000 2.195 452 Q HA 0.339 4.678 4.340 -0.001 0.000 0.250 452 Q C -1.117 174.864 176.000 -0.031 0.000 0.988 452 Q CA -0.880 54.898 55.803 -0.041 0.000 0.911 452 Q CB 1.630 30.300 28.738 -0.112 0.000 1.258 452 Q HN 0.118 nan 8.270 nan 0.000 0.475 453 D N 1.217 121.599 120.400 -0.029 0.000 2.277 453 D HA 0.019 4.658 4.640 -0.001 0.000 0.249 453 D C 0.788 177.069 176.300 -0.033 0.000 1.134 453 D CA -0.094 53.895 54.000 -0.018 0.000 0.863 453 D CB 1.048 41.846 40.800 -0.004 0.000 1.143 453 D HN 0.723 nan 8.370 nan 0.000 0.458 454 I N 4.873 125.428 120.570 -0.025 0.000 2.093 454 I HA -0.429 3.741 4.170 -0.001 0.000 0.239 454 I C 2.087 178.192 176.117 -0.019 0.000 1.026 454 I CA 1.585 62.871 61.300 -0.023 0.000 1.295 454 I CB 0.073 38.057 38.000 -0.025 0.000 1.007 454 I HN 0.476 nan 8.210 nan 0.000 0.401 455 R N 0.223 120.715 120.500 -0.014 0.000 2.140 455 R HA -0.257 4.083 4.340 -0.001 0.000 0.250 455 R C 2.358 178.671 176.300 0.021 0.000 1.150 455 R CA 2.440 58.543 56.100 0.005 0.000 0.966 455 R CB -1.322 28.981 30.300 0.006 0.000 0.869 455 R HN 0.704 nan 8.270 nan 0.000 0.445 456 T N 0.427 114.990 114.554 0.014 0.000 2.833 456 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 456 T C 1.125 175.856 174.700 0.050 0.000 1.054 456 T CA 0.942 63.074 62.100 0.054 0.000 1.135 456 T CB -0.595 68.315 68.868 0.070 0.000 0.869 456 T HN 0.368 nan 8.240 nan 0.000 0.466 457 I N 0.265 120.793 120.570 -0.070 0.000 2.764 457 I HA 0.343 4.512 4.170 -0.001 0.000 0.294 457 I C 0.484 176.605 176.117 0.007 0.000 1.045 457 I CA -1.070 60.167 61.300 -0.104 0.000 1.340 457 I CB 0.406 38.288 38.000 -0.197 0.000 1.436 457 I HN 0.138 nan 8.210 nan 0.000 0.567 458 N N 2.530 121.237 118.700 0.013 0.000 2.479 458 N HA 0.061 4.801 4.740 -0.001 0.000 0.257 458 N C 0.859 176.416 175.510 0.079 0.000 1.232 458 N CA -0.401 52.678 53.050 0.049 0.000 0.920 458 N CB 1.530 40.041 38.487 0.040 0.000 1.105 458 N HN 0.618 nan 8.380 nan 0.000 0.444 459 V N 4.495 124.448 119.914 0.064 0.000 2.216 459 V HA -0.234 3.886 4.120 -0.001 0.000 0.242 459 V C 2.607 178.740 176.094 0.064 0.000 1.042 459 V CA 1.838 64.173 62.300 0.057 0.000 0.991 459 V CB -1.066 30.779 31.823 0.037 0.000 0.633 459 V HN 0.823 nan 8.190 nan 0.000 0.449 460 R N -0.868 119.652 120.500 0.032 0.000 2.190 460 R HA -0.319 4.020 4.340 -0.001 0.000 0.255 460 R C 2.299 178.627 176.300 0.047 0.000 1.143 460 R CA 2.739 58.848 56.100 0.015 0.000 0.965 460 R CB -0.675 29.620 30.300 -0.007 0.000 0.889 460 R HN 0.634 nan 8.270 nan 0.000 0.448 461 Y N 0.555 120.837 120.300 -0.029 0.000 2.114 461 Y HA -0.236 4.314 4.550 -0.001 0.000 0.284 461 Y C 2.170 178.059 175.900 -0.020 0.000 1.143 461 Y CA 1.985 60.072 58.100 -0.022 0.000 1.135 461 Y CB -0.515 37.938 38.460 -0.013 0.000 0.980 461 Y HN 0.191 nan 8.280 nan 0.000 0.499 462 L N 0.513 121.869 121.223 0.223 0.000 1.933 462 L HA -0.314 4.025 4.340 -0.001 0.000 0.220 462 L C 2.460 179.356 176.870 0.044 0.000 1.078 462 L CA 2.059 56.975 54.840 0.126 0.000 0.773 462 L CB -0.709 41.399 42.059 0.081 0.000 0.890 462 L HN 0.089 nan 8.230 nan 0.000 0.434 463 R N 0.174 120.689 120.500 0.026 0.000 2.178 463 R HA -0.252 4.088 4.340 -0.001 0.000 0.257 463 R C 2.100 178.382 176.300 -0.031 0.000 1.163 463 R CA 2.157 58.256 56.100 -0.002 0.000 0.981 463 R CB -1.160 29.136 30.300 -0.006 0.000 0.878 463 R HN 0.669 nan 8.270 nan 0.000 0.454 464 E N 0.089 120.251 120.200 -0.063 0.000 2.028 464 E HA -0.060 4.290 4.350 -0.001 0.000 0.190 464 E C 1.699 178.234 176.600 -0.108 0.000 0.984 464 E CA 0.557 56.890 56.400 -0.111 0.000 0.800 464 E CB -0.028 29.553 29.700 -0.197 0.000 0.758 464 E HN 0.128 nan 8.360 nan 0.000 0.448 465 I N 1.274 121.770 120.570 -0.123 0.000 3.164 465 I HA -0.100 4.070 4.170 -0.001 0.000 0.278 465 I C 0.721 176.822 176.117 -0.027 0.000 1.320 465 I CA 1.163 62.413 61.300 -0.082 0.000 1.422 465 I CB -0.936 37.042 38.000 -0.036 0.000 1.066 465 I HN 0.073 nan 8.210 nan 0.000 0.503 466 I N 0.812 121.369 120.570 -0.022 0.000 2.595 466 I HA 0.283 4.452 4.170 -0.001 0.000 0.275 466 I C 0.803 176.915 176.117 -0.008 0.000 1.092 466 I CA -0.485 60.813 61.300 -0.003 0.000 1.145 466 I CB 1.205 39.214 38.000 0.014 0.000 1.276 466 I HN 0.003 nan 8.210 nan 0.000 0.497 467 G N 4.589 113.382 108.800 -0.012 0.000 2.380 467 G HA2 0.408 4.367 3.960 -0.001 0.000 0.242 467 G HA3 0.408 4.367 3.960 -0.001 0.000 0.242 467 G C -0.446 174.452 174.900 -0.003 0.000 1.298 467 G CA 0.100 45.194 45.100 -0.010 0.000 0.878 467 G HN 0.319 nan 8.290 nan 0.000 0.542 468 V N 2.333 122.246 119.914 -0.002 0.000 2.668 468 V HA 0.417 4.537 4.120 -0.001 0.000 0.304 468 V C -0.560 175.532 176.094 -0.004 0.000 1.071 468 V CA -0.606 61.694 62.300 -0.001 0.000 0.894 468 V CB 2.225 34.049 31.823 0.002 0.000 1.008 468 V HN 0.696 nan 8.190 nan 0.000 0.425 469 V N 3.106 123.017 119.914 -0.004 0.000 2.419 469 V HA 0.586 4.706 4.120 -0.001 0.000 0.287 469 V C 0.195 176.283 176.094 -0.010 0.000 1.017 469 V CA -0.466 61.830 62.300 -0.007 0.000 0.844 469 V CB 1.390 33.214 31.823 0.001 0.000 1.011 469 V HN 0.918 nan 8.190 nan 0.000 0.429 470 S N 3.851 119.539 115.700 -0.019 0.000 2.719 470 S HA 0.468 4.938 4.470 -0.001 0.000 0.285 470 S C 0.837 175.426 174.600 -0.020 0.000 1.137 470 S CA -0.559 57.630 58.200 -0.018 0.000 1.012 470 S CB 1.264 64.448 63.200 -0.027 0.000 1.134 470 S HN 0.740 nan 8.310 nan 0.000 0.544 471 Q N 1.259 121.051 119.800 -0.013 0.000 1.073 471 Q HA -0.116 4.224 4.340 -0.001 0.000 0.759 471 Q C 0.415 176.398 176.000 -0.027 0.000 0.907 471 Q CA 1.207 57.005 55.803 -0.009 0.000 0.889 471 Q CB -1.705 27.038 28.738 0.008 0.000 0.934 471 Q HN 0.836 nan 8.270 nan 0.000 0.276 472 E N 4.210 124.390 120.200 -0.033 0.000 3.490 472 E HA -0.079 4.271 4.350 -0.001 0.000 0.232 472 E C -2.082 174.473 176.600 -0.076 0.000 0.943 472 E CA -0.321 56.046 56.400 -0.055 0.000 0.933 472 E CB -0.275 29.385 29.700 -0.068 0.000 0.890 472 E HN 0.307 nan 8.360 nan 0.000 0.576 473 P HA 0.102 nan 4.420 nan 0.000 0.291 473 P C -0.925 176.317 177.300 -0.097 0.000 1.340 473 P CA -0.508 62.552 63.100 -0.067 0.000 0.799 473 P CB 1.396 33.072 31.700 -0.040 0.000 0.917 474 V N 6.077 125.904 119.914 -0.145 0.000 2.472 474 V HA 0.428 4.547 4.120 -0.001 0.000 0.290 474 V C -0.539 175.404 176.094 -0.252 0.000 1.037 474 V CA -0.826 61.344 62.300 -0.217 0.000 0.908 474 V CB 0.986 32.622 31.823 -0.313 0.000 0.985 474 V HN 0.359 nan 8.190 nan 0.000 0.454 475 L N 6.936 128.024 121.223 -0.226 0.000 2.381 475 L HA 0.560 4.900 4.340 -0.001 0.000 0.274 475 L C -0.795 175.995 176.870 -0.133 0.000 0.988 475 L CA -0.463 54.297 54.840 -0.133 0.000 0.824 475 L CB 1.822 43.871 42.059 -0.016 0.000 1.263 475 L HN 0.530 nan 8.230 nan 0.000 0.410 476 F N 1.146 121.116 119.950 0.034 0.000 2.440 476 F HA 0.309 4.835 4.527 -0.001 0.000 0.323 476 F C 1.121 176.926 175.800 0.009 0.000 1.192 476 F CA -0.524 57.515 58.000 0.064 0.000 1.252 476 F CB 0.424 39.520 39.000 0.159 0.000 1.214 476 F HN 0.486 nan 8.300 nan 0.000 0.578 477 A N 1.731 124.682 122.820 0.218 0.000 2.655 477 A HA 0.532 4.852 4.320 -0.001 0.000 0.297 477 A C -0.067 177.566 177.584 0.082 0.000 1.461 477 A CA 0.289 52.392 52.037 0.110 0.000 1.146 477 A CB -1.214 17.838 19.000 0.086 0.000 1.108 477 A HN 0.787 nan 8.150 nan 0.000 0.550 478 T N -0.147 114.434 114.554 0.045 0.000 2.661 478 T HA 0.451 4.800 4.350 -0.001 0.000 0.305 478 T C 0.168 174.868 174.700 -0.001 0.000 1.535 478 T CA -0.164 61.936 62.100 0.000 0.000 1.000 478 T CB 0.301 69.126 68.868 -0.073 0.000 1.811 478 T HN 0.787 nan 8.240 nan 0.000 0.471 479 T N 0.094 114.640 114.554 -0.013 0.000 2.868 479 T HA 0.406 4.756 4.350 -0.001 0.000 0.292 479 T C 1.481 176.206 174.700 0.042 0.000 1.028 479 T CA -0.791 61.322 62.100 0.023 0.000 1.059 479 T CB 0.188 69.073 68.868 0.029 0.000 0.991 479 T HN 0.389 nan 8.240 nan 0.000 0.531 480 I N 1.569 122.210 120.570 0.117 0.000 2.099 480 I HA -0.175 3.994 4.170 -0.001 0.000 0.239 480 I C 3.027 179.208 176.117 0.107 0.000 1.066 480 I CA 1.901 63.302 61.300 0.168 0.000 1.324 480 I CB -2.273 35.921 38.000 0.325 0.000 1.037 480 I HN 0.928 nan 8.210 nan 0.000 0.401 481 A N 0.846 123.732 122.820 0.110 0.000 1.873 481 A HA -0.293 4.027 4.320 -0.001 0.000 0.219 481 A C 2.194 179.741 177.584 -0.062 0.000 1.269 481 A CA 2.338 54.354 52.037 -0.034 0.000 0.671 481 A CB -0.953 18.032 19.000 -0.025 0.000 0.842 481 A HN 0.454 nan 8.150 nan 0.000 0.460 482 E N -0.029 120.128 120.200 -0.071 0.000 2.147 482 E HA -0.213 4.137 4.350 -0.001 0.000 0.199 482 E C 1.921 178.349 176.600 -0.287 0.000 1.005 482 E CA 1.336 57.641 56.400 -0.157 0.000 0.810 482 E CB -0.520 29.070 29.700 -0.183 0.000 0.736 482 E HN 0.655 nan 8.360 nan 0.000 0.460 483 N N 0.349 118.926 118.700 -0.205 0.000 2.080 483 N HA -0.125 4.614 4.740 -0.001 0.000 0.189 483 N C 2.008 177.508 175.510 -0.016 0.000 1.036 483 N CA 0.729 53.686 53.050 -0.154 0.000 0.846 483 N CB -0.255 38.242 38.487 0.017 0.000 1.015 483 N HN 0.099 nan 8.380 nan 0.000 0.423 484 I N 1.530 122.099 120.570 -0.003 0.000 2.208 484 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 484 I C 2.461 178.581 176.117 0.006 0.000 1.097 484 I CA 0.982 62.285 61.300 0.006 0.000 1.363 484 I CB -0.342 37.633 38.000 -0.040 0.000 1.051 484 I HN 0.037 nan 8.210 nan 0.000 0.413 485 R N -0.600 119.891 120.500 -0.016 0.000 2.105 485 R HA -0.204 4.136 4.340 -0.001 0.000 0.239 485 R C 2.381 178.749 176.300 0.114 0.000 1.135 485 R CA 1.537 57.647 56.100 0.016 0.000 0.967 485 R CB -0.539 29.764 30.300 0.004 0.000 0.861 485 R HN 0.434 nan 8.270 nan 0.000 0.442 486 Y N -1.042 119.199 120.300 -0.098 0.000 2.207 486 Y HA -0.215 4.334 4.550 -0.001 0.000 0.287 486 Y C 2.373 178.203 175.900 -0.118 0.000 1.156 486 Y CA 0.405 58.407 58.100 -0.163 0.000 1.182 486 Y CB -0.276 38.059 38.460 -0.208 0.000 0.979 486 Y HN 0.365 nan 8.280 nan 0.000 0.521 487 G N 0.022 108.893 108.800 0.118 0.000 2.469 487 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.219 487 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.219 487 G C 0.671 175.565 174.900 -0.011 0.000 1.150 487 G CA 0.510 45.634 45.100 0.040 0.000 0.763 487 G HN 0.209 nan 8.290 nan 0.000 0.561 488 R N -0.477 120.016 120.500 -0.011 0.000 2.531 488 R HA 0.291 4.630 4.340 -0.001 0.000 0.293 488 R C 0.442 176.722 176.300 -0.033 0.000 1.124 488 R CA -0.430 55.647 56.100 -0.039 0.000 0.945 488 R CB 1.205 31.479 30.300 -0.044 0.000 1.195 488 R HN 0.113 nan 8.270 nan 0.000 0.433 489 E N 1.210 121.380 120.200 -0.049 0.000 1.998 489 E HA -0.261 4.088 4.350 -0.001 0.000 0.221 489 E C -0.035 176.547 176.600 -0.030 0.000 1.018 489 E CA 2.104 58.480 56.400 -0.040 0.000 0.891 489 E CB -0.207 29.456 29.700 -0.061 0.000 0.807 489 E HN 0.727 nan 8.360 nan 0.000 0.523 490 D N 0.242 120.620 120.400 -0.036 0.000 2.424 490 D HA 0.290 4.929 4.640 -0.001 0.000 0.244 490 D C -0.575 175.702 176.300 -0.038 0.000 1.134 490 D CA -0.259 53.721 54.000 -0.033 0.000 0.881 490 D CB 1.267 42.048 40.800 -0.031 0.000 1.191 490 D HN 0.121 nan 8.370 nan 0.000 0.445 491 V N 1.888 121.778 119.914 -0.040 0.000 2.700 491 V HA 0.194 4.313 4.120 -0.001 0.000 0.246 491 V C -1.189 174.871 176.094 -0.057 0.000 1.817 491 V CA -0.504 61.766 62.300 -0.049 0.000 0.832 491 V CB 1.316 33.107 31.823 -0.054 0.000 1.340 491 V HN 0.855 nan 8.190 nan 0.000 0.479 492 T N 7.690 122.208 114.554 -0.061 0.000 2.875 492 T HA 0.402 4.751 4.350 -0.001 0.000 0.284 492 T C 1.302 175.944 174.700 -0.097 0.000 0.995 492 T CA 0.241 62.301 62.100 -0.066 0.000 1.060 492 T CB 1.390 70.228 68.868 -0.050 0.000 0.967 492 T HN 1.244 nan 8.240 nan 0.000 0.476 493 M N 1.452 120.984 119.600 -0.113 0.000 2.514 493 M HA -0.123 4.357 4.480 -0.001 0.000 0.259 493 M C 1.033 177.236 176.300 -0.162 0.000 1.073 493 M CA 1.626 56.818 55.300 -0.181 0.000 1.049 493 M CB -0.633 31.877 32.600 -0.150 0.000 1.392 493 M HN 0.363 nan 8.290 nan 0.000 0.466 494 D N 0.950 121.288 120.400 -0.104 0.000 2.123 494 D HA -0.099 4.541 4.640 -0.001 0.000 0.200 494 D C 1.859 178.095 176.300 -0.106 0.000 0.976 494 D CA 1.569 55.516 54.000 -0.088 0.000 0.831 494 D CB -0.061 40.703 40.800 -0.060 0.000 0.974 494 D HN 0.614 nan 8.370 nan 0.000 0.469 495 E N 0.301 120.440 120.200 -0.102 0.000 2.046 495 E HA -0.105 4.244 4.350 -0.001 0.000 0.190 495 E C 2.135 178.659 176.600 -0.127 0.000 0.982 495 E CA 0.488 56.829 56.400 -0.098 0.000 0.800 495 E CB -0.026 29.626 29.700 -0.080 0.000 0.756 495 E HN 0.180 nan 8.360 nan 0.000 0.449 496 I N 1.384 121.850 120.570 -0.174 0.000 2.163 496 I HA -0.281 3.888 4.170 -0.001 0.000 0.243 496 I C 2.373 178.335 176.117 -0.257 0.000 1.085 496 I CA 1.453 62.611 61.300 -0.237 0.000 1.347 496 I CB -0.520 37.251 38.000 -0.382 0.000 1.044 496 I HN 0.123 nan 8.210 nan 0.000 0.408 497 E N 1.034 121.063 120.200 -0.285 0.000 2.048 497 E HA -0.338 4.012 4.350 -0.001 0.000 0.202 497 E C 2.340 178.841 176.600 -0.166 0.000 1.021 497 E CA 1.832 58.118 56.400 -0.190 0.000 0.825 497 E CB -0.111 29.503 29.700 -0.144 0.000 0.756 497 E HN 0.251 nan 8.360 nan 0.000 0.454 498 K N 0.269 120.580 120.400 -0.148 0.000 2.001 498 K HA -0.250 4.069 4.320 -0.001 0.000 0.214 498 K C 2.074 178.621 176.600 -0.087 0.000 1.050 498 K CA 1.457 57.672 56.287 -0.119 0.000 0.934 498 K CB -0.603 31.842 32.500 -0.092 0.000 0.718 498 K HN 0.231 nan 8.250 nan 0.000 0.443 499 A N 1.025 123.798 122.820 -0.078 0.000 1.870 499 A HA -0.256 4.063 4.320 -0.001 0.000 0.219 499 A C 2.395 179.970 177.584 -0.015 0.000 1.224 499 A CA 3.391 55.400 52.037 -0.047 0.000 0.650 499 A CB -1.394 17.573 19.000 -0.055 0.000 0.836 499 A HN 0.271 nan 8.150 nan 0.000 0.454 500 V N -1.504 118.413 119.914 0.005 0.000 2.219 500 V HA -0.357 3.763 4.120 -0.001 0.000 0.248 500 V C 2.281 178.410 176.094 0.057 0.000 1.053 500 V CA 2.604 64.950 62.300 0.077 0.000 1.009 500 V CB -1.363 30.599 31.823 0.232 0.000 0.636 500 V HN 0.561 nan 8.190 nan 0.000 0.445 501 K N -0.248 120.170 120.400 0.029 0.000 2.144 501 K HA -0.293 4.027 4.320 -0.001 0.000 0.209 501 K C 2.424 179.028 176.600 0.006 0.000 1.047 501 K CA 2.230 58.520 56.287 0.006 0.000 0.927 501 K CB -0.272 32.135 32.500 -0.155 0.000 0.716 501 K HN 0.674 nan 8.250 nan 0.000 0.454 502 E N -0.479 119.715 120.200 -0.010 0.000 2.106 502 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 502 E C 0.491 177.101 176.600 0.017 0.000 0.984 502 E CA 0.886 57.284 56.400 -0.003 0.000 0.806 502 E CB 0.091 29.783 29.700 -0.014 0.000 0.750 502 E HN 0.292 nan 8.360 nan 0.000 0.458 503 A N 2.322 125.160 122.820 0.031 0.000 2.797 503 A HA 0.026 4.346 4.320 -0.001 0.000 0.287 503 A C 0.129 177.754 177.584 0.068 0.000 1.369 503 A CA -0.005 52.062 52.037 0.050 0.000 0.968 503 A CB -0.717 18.319 19.000 0.061 0.000 1.069 503 A HN 0.421 nan 8.150 nan 0.000 0.571 504 N N -1.063 117.670 118.700 0.054 0.000 2.702 504 N HA -0.275 4.465 4.740 -0.001 0.000 0.261 504 N C 0.402 175.936 175.510 0.041 0.000 0.965 504 N CA 1.128 54.213 53.050 0.057 0.000 0.795 504 N CB -1.345 37.184 38.487 0.070 0.000 0.909 504 N HN 0.692 nan 8.380 nan 0.000 0.546 505 A N -0.468 122.326 122.820 -0.043 0.000 2.192 505 A HA 0.071 4.391 4.320 -0.001 0.000 0.208 505 A C 1.535 178.729 177.584 -0.650 0.000 1.220 505 A CA 0.237 52.053 52.037 -0.369 0.000 0.900 505 A CB -0.334 18.613 19.000 -0.088 0.000 0.937 505 A HN 0.397 nan 8.150 nan 0.000 0.487 506 Y N 2.739 122.839 120.300 -0.333 0.000 2.298 506 Y HA -0.308 4.241 4.550 -0.001 0.000 0.287 506 Y C 1.831 177.531 175.900 -0.333 0.000 1.164 506 Y CA 1.934 59.875 58.100 -0.265 0.000 1.229 506 Y CB -0.341 38.061 38.460 -0.097 0.000 0.977 506 Y HN 0.677 nan 8.280 nan 0.000 0.538 507 D N -0.971 119.189 120.400 -0.400 0.000 2.084 507 D HA -0.229 4.411 4.640 -0.001 0.000 0.199 507 D C 1.954 178.056 176.300 -0.329 0.000 0.981 507 D CA 1.559 55.349 54.000 -0.351 0.000 0.841 507 D CB -1.554 39.170 40.800 -0.127 0.000 0.997 507 D HN 0.327 nan 8.370 nan 0.000 0.454 508 F N 1.722 121.599 119.950 -0.123 0.000 2.171 508 F HA -0.034 4.493 4.527 -0.001 0.000 0.300 508 F C 2.000 177.708 175.800 -0.153 0.000 1.090 508 F CA 0.546 58.479 58.000 -0.111 0.000 1.293 508 F CB -1.327 37.639 39.000 -0.058 0.000 1.013 508 F HN 0.108 nan 8.300 nan 0.000 0.486 509 I N -1.930 118.337 120.570 -0.506 0.000 2.454 509 I HA -0.172 3.998 4.170 -0.001 0.000 0.254 509 I C 1.905 177.759 176.117 -0.437 0.000 1.156 509 I CA 1.296 62.399 61.300 -0.328 0.000 1.433 509 I CB -1.003 36.681 38.000 -0.527 0.000 1.082 509 I HN 0.127 nan 8.210 nan 0.000 0.432 510 M N 0.802 120.088 119.600 -0.524 0.000 2.216 510 M HA 0.013 4.492 4.480 -0.001 0.000 0.264 510 M C 2.253 178.388 176.300 -0.275 0.000 1.080 510 M CA 1.535 56.538 55.300 -0.494 0.000 1.153 510 M CB -1.014 31.173 32.600 -0.688 0.000 1.356 510 M HN 0.311 nan 8.290 nan 0.000 0.432 511 K N 1.470 121.755 120.400 -0.193 0.000 2.025 511 K HA -0.036 4.283 4.320 -0.001 0.000 0.207 511 K C 0.687 177.242 176.600 -0.075 0.000 1.049 511 K CA 0.452 56.673 56.287 -0.111 0.000 0.933 511 K CB -0.969 31.491 32.500 -0.067 0.000 0.714 511 K HN 0.202 nan 8.250 nan 0.000 0.438 512 L N 2.751 123.955 121.223 -0.031 0.000 2.573 512 L HA 0.111 4.450 4.340 -0.001 0.000 0.290 512 L C -2.238 174.609 176.870 -0.038 0.000 1.247 512 L CA -0.841 53.999 54.840 0.000 0.000 0.876 512 L CB -0.579 41.525 42.059 0.075 0.000 1.123 512 L HN 0.166 nan 8.230 nan 0.000 0.505 513 P HA -0.093 nan 4.420 nan 0.000 0.272 513 P C 0.064 177.342 177.300 -0.036 0.000 1.243 513 P CA 0.421 63.448 63.100 -0.122 0.000 0.803 513 P CB 0.049 31.643 31.700 -0.175 0.000 0.974 514 H N -2.279 116.776 119.070 -0.026 0.000 4.555 514 H HA -0.266 4.290 4.556 -0.001 0.000 0.159 514 H C 0.937 176.250 175.328 -0.026 0.000 0.806 514 H CA 1.865 57.904 56.048 -0.015 0.000 1.221 514 H CB -1.148 28.616 29.762 0.004 0.000 0.965 514 H HN 0.503 nan 8.280 nan 0.000 0.400 515 Q N -2.874 116.939 119.800 0.021 0.000 0.955 515 Q HA -0.185 4.155 4.340 -0.001 0.000 0.271 515 Q C 1.098 177.053 176.000 -0.075 0.000 1.056 515 Q CA 1.489 57.226 55.803 -0.110 0.000 0.691 515 Q CB -2.013 26.697 28.738 -0.046 0.000 4.384 515 Q HN 0.308 nan 8.270 nan 0.000 0.385 516 F N 1.408 121.396 119.950 0.063 0.000 2.407 516 F HA -0.013 4.513 4.527 -0.001 0.000 0.299 516 F C 1.889 177.716 175.800 0.046 0.000 1.097 516 F CA 1.489 59.523 58.000 0.057 0.000 1.422 516 F CB 0.018 39.048 39.000 0.049 0.000 1.067 516 F HN 0.311 nan 8.300 nan 0.000 0.539 517 D N -0.543 119.988 120.400 0.218 0.000 2.349 517 D HA -0.013 4.627 4.640 -0.001 0.000 0.224 517 D C 0.658 176.996 176.300 0.063 0.000 1.029 517 D CA 0.441 54.515 54.000 0.123 0.000 0.879 517 D CB -0.295 40.564 40.800 0.099 0.000 0.906 517 D HN 0.142 nan 8.370 nan 0.000 0.528 518 T N 2.703 117.319 114.554 0.104 0.000 2.903 518 T HA 0.112 4.462 4.350 -0.001 0.000 0.314 518 T C 0.998 175.710 174.700 0.020 0.000 1.078 518 T CA -0.339 61.799 62.100 0.063 0.000 1.114 518 T CB 0.949 69.899 68.868 0.136 0.000 0.987 518 T HN -0.025 nan 8.240 nan 0.000 0.548 519 L N 0.450 121.653 121.223 -0.033 0.000 2.970 519 L HA 0.784 5.123 4.340 -0.001 0.000 0.214 519 L C -0.012 176.867 176.870 0.015 0.000 1.317 519 L CA -0.957 53.874 54.840 -0.016 0.000 1.187 519 L CB -0.620 41.408 42.059 -0.051 0.000 2.155 519 L HN 0.365 nan 8.230 nan 0.000 0.554 520 V N 0.171 120.092 119.914 0.012 0.000 2.666 520 V HA 0.298 4.417 4.120 -0.001 0.000 0.261 520 V C 0.782 176.883 176.094 0.011 0.000 0.892 520 V CA -0.314 61.996 62.300 0.017 0.000 0.937 520 V CB 0.538 32.378 31.823 0.028 0.000 1.063 520 V HN 1.041 nan 8.190 nan 0.000 0.494 521 G N 2.958 111.761 108.800 0.005 0.000 2.759 521 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.325 521 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.325 521 G C 0.331 175.234 174.900 0.005 0.000 0.312 521 G CA 0.756 45.858 45.100 0.003 0.000 1.249 521 G HN 0.768 nan 8.290 nan 0.000 0.331 522 E N 0.070 120.277 120.200 0.011 0.000 5.191 522 E HA -0.216 4.134 4.350 -0.001 0.000 0.242 522 E C 0.893 177.499 176.600 0.012 0.000 1.756 522 E CA 1.216 57.625 56.400 0.015 0.000 1.170 522 E CB -0.275 29.431 29.700 0.009 0.000 0.962 522 E HN 1.000 nan 8.360 nan 0.000 0.326 523 R N -0.153 120.360 120.500 0.021 0.000 3.967 523 R HA -0.171 4.169 4.340 -0.001 0.000 0.450 523 R C 0.555 176.847 176.300 -0.013 0.000 0.241 523 R CA 1.391 57.492 56.100 0.002 0.000 1.421 523 R CB -1.176 29.118 30.300 -0.010 0.000 1.115 523 R HN 0.841 nan 8.270 nan 0.000 0.508 524 G N 0.631 109.405 108.800 -0.044 0.000 3.356 524 G HA2 0.380 4.340 3.960 -0.001 0.000 0.239 524 G HA3 0.380 4.340 3.960 -0.001 0.000 0.239 524 G C 0.154 175.032 174.900 -0.038 0.000 1.252 524 G CA 0.591 45.663 45.100 -0.047 0.000 1.611 524 G HN 0.712 nan 8.290 nan 0.000 0.580 525 A N -0.040 122.765 122.820 -0.025 0.000 2.511 525 A HA 0.714 5.033 4.320 -0.001 0.000 0.340 525 A C 0.255 177.828 177.584 -0.018 0.000 1.396 525 A CA -0.526 51.498 52.037 -0.023 0.000 0.887 525 A CB 0.834 19.823 19.000 -0.017 0.000 1.145 525 A HN 0.443 nan 8.150 nan 0.000 0.497 526 Q N 1.309 121.094 119.800 -0.026 0.000 1.835 526 Q HA 0.157 4.497 4.340 -0.001 0.000 0.166 526 Q C -0.407 175.570 176.000 -0.038 0.000 0.676 526 Q CA 0.318 56.108 55.803 -0.022 0.000 0.752 526 Q CB 0.050 28.783 28.738 -0.009 0.000 1.193 526 Q HN 0.820 nan 8.270 nan 0.000 0.372 527 L N -0.314 120.873 121.223 -0.059 0.000 2.257 527 L HA 0.852 5.192 4.340 -0.001 0.000 0.257 527 L C -0.042 176.763 176.870 -0.109 0.000 1.033 527 L CA -0.902 53.879 54.840 -0.098 0.000 0.835 527 L CB 1.407 43.377 42.059 -0.147 0.000 1.398 527 L HN 0.091 nan 8.230 nan 0.000 0.429 528 S N -0.528 115.087 115.700 -0.141 0.000 2.533 528 S HA 0.175 4.644 4.470 -0.001 0.000 0.282 528 S C 1.272 175.799 174.600 -0.122 0.000 1.304 528 S CA -0.058 58.070 58.200 -0.121 0.000 1.063 528 S CB 0.959 64.081 63.200 -0.130 0.000 0.881 528 S HN 0.972 nan 8.310 nan 0.000 0.493 529 G N 3.242 111.993 108.800 -0.082 0.000 2.507 529 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.221 529 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.221 529 G C 1.287 176.146 174.900 -0.069 0.000 1.119 529 G CA 0.767 45.828 45.100 -0.066 0.000 0.751 529 G HN 1.042 nan 8.290 nan 0.000 0.574 530 G N 0.433 109.186 108.800 -0.078 0.000 2.545 530 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 530 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 530 G C 1.783 176.626 174.900 -0.095 0.000 1.218 530 G CA 1.259 46.318 45.100 -0.069 0.000 0.787 530 G HN 0.526 nan 8.290 nan 0.000 0.571 531 Q N 0.212 119.878 119.800 -0.224 0.000 2.084 531 Q HA -0.040 4.299 4.340 -0.001 0.000 0.202 531 Q C 2.609 178.518 176.000 -0.152 0.000 0.978 531 Q CA 1.321 56.898 55.803 -0.375 0.000 0.844 531 Q CB -0.144 28.000 28.738 -0.990 0.000 0.898 531 Q HN 0.448 nan 8.270 nan 0.000 0.426 532 K N 0.565 120.889 120.400 -0.128 0.000 1.988 532 K HA -0.305 4.014 4.320 -0.001 0.000 0.221 532 K C 2.191 178.787 176.600 -0.007 0.000 1.053 532 K CA 1.781 58.036 56.287 -0.053 0.000 0.959 532 K CB -0.306 32.158 32.500 -0.060 0.000 0.728 532 K HN 0.044 nan 8.250 nan 0.000 0.447 533 Q N 1.298 121.089 119.800 -0.015 0.000 2.118 533 Q HA -0.234 4.105 4.340 -0.001 0.000 0.211 533 Q C 1.997 178.024 176.000 0.046 0.000 0.998 533 Q CA 1.870 57.678 55.803 0.008 0.000 0.872 533 Q CB -0.278 28.462 28.738 0.002 0.000 0.925 533 Q HN 0.218 nan 8.270 nan 0.000 0.414 534 R N -0.610 119.934 120.500 0.073 0.000 2.082 534 R HA -0.124 4.216 4.340 -0.001 0.000 0.234 534 R C 2.445 178.846 176.300 0.167 0.000 1.136 534 R CA 1.857 58.045 56.100 0.146 0.000 0.935 534 R CB -0.511 29.947 30.300 0.264 0.000 0.842 534 R HN 0.411 nan 8.270 nan 0.000 0.430 535 I N 0.562 121.254 120.570 0.204 0.000 2.145 535 I HA -0.380 3.790 4.170 -0.001 0.000 0.244 535 I C 2.540 178.729 176.117 0.120 0.000 1.075 535 I CA 1.475 62.893 61.300 0.197 0.000 1.332 535 I CB -0.538 37.573 38.000 0.185 0.000 1.033 535 I HN 0.362 nan 8.210 nan 0.000 0.410 536 A N 1.341 124.212 122.820 0.085 0.000 1.859 536 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 536 A C 2.261 179.880 177.584 0.057 0.000 1.209 536 A CA 2.241 54.314 52.037 0.060 0.000 0.639 536 A CB -1.182 17.836 19.000 0.030 0.000 0.835 536 A HN 0.412 nan 8.150 nan 0.000 0.450 537 I N -0.228 120.375 120.570 0.054 0.000 2.181 537 I HA -0.413 3.757 4.170 -0.001 0.000 0.247 537 I C 2.911 179.055 176.117 0.044 0.000 1.081 537 I CA 1.421 62.749 61.300 0.045 0.000 1.340 537 I CB -0.384 37.647 38.000 0.052 0.000 1.036 537 I HN 0.439 nan 8.210 nan 0.000 0.417 538 A N 0.472 123.329 122.820 0.062 0.000 1.858 538 A HA -0.257 4.062 4.320 -0.001 0.000 0.216 538 A C 2.383 179.987 177.584 0.033 0.000 1.190 538 A CA 1.941 54.008 52.037 0.049 0.000 0.617 538 A CB -0.684 18.360 19.000 0.074 0.000 0.827 538 A HN 0.362 nan 8.150 nan 0.000 0.443 539 R N -0.379 120.150 120.500 0.047 0.000 2.132 539 R HA -0.206 4.133 4.340 -0.001 0.000 0.233 539 R C 2.314 178.629 176.300 0.025 0.000 1.125 539 R CA 2.114 58.240 56.100 0.044 0.000 0.914 539 R CB -0.615 29.730 30.300 0.075 0.000 0.845 539 R HN 0.428 nan 8.270 nan 0.000 0.431 540 A N 1.112 123.947 122.820 0.025 0.000 1.986 540 A HA -0.166 4.154 4.320 -0.001 0.000 0.220 540 A C 2.161 179.744 177.584 -0.001 0.000 1.171 540 A CA 1.230 53.272 52.037 0.009 0.000 0.640 540 A CB -0.650 18.355 19.000 0.009 0.000 0.811 540 A HN 0.430 nan 8.150 nan 0.000 0.451 541 L N 0.154 121.379 121.223 0.004 0.000 2.079 541 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 541 L C 2.437 179.297 176.870 -0.017 0.000 1.081 541 L CA 2.014 56.852 54.840 -0.004 0.000 0.752 541 L CB -0.852 41.209 42.059 0.002 0.000 0.896 541 L HN 0.331 nan 8.230 nan 0.000 0.433 542 V N -1.093 118.809 119.914 -0.020 0.000 2.719 542 V HA -0.152 3.967 4.120 -0.001 0.000 0.252 542 V C 2.565 178.636 176.094 -0.037 0.000 1.065 542 V CA 0.988 63.269 62.300 -0.032 0.000 1.086 542 V CB -0.723 31.079 31.823 -0.035 0.000 0.700 542 V HN 0.315 nan 8.190 nan 0.000 0.467 543 R N 2.020 122.500 120.500 -0.032 0.000 2.127 543 R HA -0.129 4.210 4.340 -0.001 0.000 0.238 543 R C 1.042 177.311 176.300 -0.052 0.000 1.134 543 R CA 1.090 57.163 56.100 -0.045 0.000 0.975 543 R CB -0.602 29.676 30.300 -0.036 0.000 0.865 543 R HN 0.863 nan 8.270 nan 0.000 0.447 544 N N -0.300 118.376 118.700 -0.040 0.000 2.652 544 N HA -0.144 4.595 4.740 -0.001 0.000 0.281 544 N C -2.470 173.013 175.510 -0.045 0.000 1.084 544 N CA 0.828 53.855 53.050 -0.038 0.000 0.775 544 N CB -0.990 37.474 38.487 -0.038 0.000 0.923 544 N HN 0.244 nan 8.380 nan 0.000 0.558 545 P HA 0.255 nan 4.420 nan 0.000 0.318 545 P C 0.169 177.454 177.300 -0.026 0.000 1.309 545 P CA -0.065 63.011 63.100 -0.039 0.000 0.736 545 P CB 0.603 32.286 31.700 -0.029 0.000 1.440 546 K N -1.418 118.972 120.400 -0.016 0.000 2.521 546 K HA 0.380 4.700 4.320 -0.001 0.000 0.213 546 K C 0.127 176.727 176.600 -0.001 0.000 1.223 546 K CA 0.187 56.471 56.287 -0.006 0.000 1.013 546 K CB 0.868 33.370 32.500 0.003 0.000 1.017 546 K HN 0.385 nan 8.250 nan 0.000 0.591 547 I N 1.289 121.859 120.570 -0.000 0.000 2.647 547 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 547 I C -0.904 175.213 176.117 -0.000 0.000 1.078 547 I CA -0.918 60.384 61.300 0.004 0.000 1.048 547 I CB 2.381 40.392 38.000 0.017 0.000 1.239 547 I HN -0.138 nan 8.210 nan 0.000 0.421 548 L N 6.013 127.234 121.223 -0.003 0.000 2.439 548 L HA 0.544 4.883 4.340 -0.001 0.000 0.270 548 L C -1.766 175.102 176.870 -0.003 0.000 0.972 548 L CA -0.647 54.191 54.840 -0.003 0.000 0.836 548 L CB 1.964 44.020 42.059 -0.006 0.000 1.255 548 L HN 0.382 nan 8.230 nan 0.000 0.404 549 L N 5.824 127.047 121.223 0.000 0.000 2.313 549 L HA 0.519 4.859 4.340 -0.001 0.000 0.283 549 L C -0.870 175.998 176.870 -0.003 0.000 1.013 549 L CA -0.258 54.582 54.840 -0.000 0.000 0.816 549 L CB 1.615 43.680 42.059 0.010 0.000 1.236 549 L HN 0.415 nan 8.230 nan 0.000 0.419 550 L N 3.049 124.267 121.223 -0.008 0.000 2.318 550 L HA 0.389 4.729 4.340 -0.001 0.000 0.277 550 L C -0.133 176.728 176.870 -0.014 0.000 1.008 550 L CA -0.132 54.703 54.840 -0.009 0.000 0.846 550 L CB 1.156 43.210 42.059 -0.008 0.000 1.220 550 L HN 0.375 nan 8.230 nan 0.000 0.423 551 D N 3.680 124.073 120.400 -0.012 0.000 2.517 551 D HA 0.153 4.792 4.640 -0.001 0.000 0.220 551 D C 0.639 176.929 176.300 -0.016 0.000 1.158 551 D CA 0.170 54.160 54.000 -0.016 0.000 0.992 551 D CB 0.164 40.961 40.800 -0.005 0.000 1.058 551 D HN 0.649 nan 8.370 nan 0.000 0.516 552 E N 0.347 120.528 120.200 -0.031 0.000 3.680 552 E HA -0.382 3.967 4.350 -0.001 0.000 0.309 552 E C 1.348 177.951 176.600 0.005 0.000 0.793 552 E CA 0.655 57.043 56.400 -0.020 0.000 1.083 552 E CB -1.312 28.390 29.700 0.002 0.000 1.548 552 E HN 0.523 nan 8.360 nan 0.000 0.456 553 A N 0.171 122.991 122.820 -0.000 0.000 2.557 553 A HA -0.499 3.820 4.320 -0.001 0.000 0.260 553 A C 2.079 179.669 177.584 0.010 0.000 2.292 553 A CA 3.757 55.796 52.037 0.003 0.000 1.035 553 A CB -1.941 17.061 19.000 0.003 0.000 0.477 553 A HN 0.575 nan 8.150 nan 0.000 0.426 554 T N -0.261 114.301 114.554 0.013 0.000 2.693 554 T HA -0.228 4.122 4.350 -0.001 0.000 0.263 554 T C 1.250 175.964 174.700 0.022 0.000 1.046 554 T CA 2.047 64.158 62.100 0.017 0.000 1.160 554 T CB -0.955 67.925 68.868 0.020 0.000 0.853 554 T HN 0.808 nan 8.240 nan 0.000 0.462 555 S N 0.053 115.773 115.700 0.034 0.000 2.615 555 S HA 0.221 4.690 4.470 -0.001 0.000 0.261 555 S C 0.997 175.619 174.600 0.036 0.000 1.401 555 S CA 0.481 58.711 58.200 0.050 0.000 0.993 555 S CB -0.501 62.749 63.200 0.084 0.000 0.851 555 S HN 1.419 nan 8.310 nan 0.000 0.526 556 A N -0.449 122.394 122.820 0.039 0.000 2.511 556 A HA -0.138 4.181 4.320 -0.001 0.000 0.297 556 A C -0.281 177.309 177.584 0.011 0.000 1.476 556 A CA 1.013 53.064 52.037 0.023 0.000 0.757 556 A CB -1.668 17.345 19.000 0.022 0.000 1.072 556 A HN 0.850 nan 8.150 nan 0.000 0.413 557 L N -0.538 120.692 121.223 0.011 0.000 2.518 557 L HA 0.699 5.039 4.340 -0.001 0.000 0.257 557 L C -0.155 176.717 176.870 0.003 0.000 0.980 557 L CA 0.015 54.856 54.840 0.002 0.000 0.837 557 L CB 1.734 43.794 42.059 0.002 0.000 1.410 557 L HN 0.574 nan 8.230 nan 0.000 0.410 558 D N 0.282 120.680 120.400 -0.003 0.000 2.449 558 D HA 0.107 4.747 4.640 -0.001 0.000 0.236 558 D C 1.018 177.320 176.300 0.004 0.000 1.149 558 D CA 0.576 54.576 54.000 -0.001 0.000 0.878 558 D CB 0.874 41.670 40.800 -0.006 0.000 1.198 558 D HN 0.814 nan 8.370 nan 0.000 0.446 559 T N -0.206 114.352 114.554 0.006 0.000 2.555 559 T HA -0.339 4.011 4.350 -0.001 0.000 0.264 559 T C 1.562 176.268 174.700 0.009 0.000 1.083 559 T CA 1.266 63.371 62.100 0.009 0.000 1.179 559 T CB -0.753 68.120 68.868 0.009 0.000 0.863 559 T HN 0.604 nan 8.240 nan 0.000 0.412 560 E N 1.969 122.174 120.200 0.007 0.000 2.108 560 E HA -0.256 4.094 4.350 -0.001 0.000 0.203 560 E C 2.525 179.132 176.600 0.011 0.000 1.022 560 E CA 2.367 58.772 56.400 0.009 0.000 0.823 560 E CB -0.616 29.088 29.700 0.007 0.000 0.744 560 E HN 0.766 nan 8.360 nan 0.000 0.456 561 S N 0.502 116.207 115.700 0.008 0.000 2.351 561 S HA -0.238 4.231 4.470 -0.001 0.000 0.220 561 S C 2.052 176.662 174.600 0.015 0.000 1.035 561 S CA 1.621 59.827 58.200 0.010 0.000 1.031 561 S CB -0.717 62.482 63.200 -0.002 0.000 0.928 561 S HN 0.446 nan 8.310 nan 0.000 0.433 562 E N 2.004 122.211 120.200 0.013 0.000 2.233 562 E HA -0.326 4.024 4.350 -0.001 0.000 0.210 562 E C 1.954 178.565 176.600 0.019 0.000 1.046 562 E CA 1.508 57.918 56.400 0.016 0.000 0.844 562 E CB -0.625 29.086 29.700 0.017 0.000 0.741 562 E HN 0.686 nan 8.360 nan 0.000 0.465 563 A N 0.422 123.252 122.820 0.018 0.000 1.821 563 A HA -0.160 4.159 4.320 -0.001 0.000 0.215 563 A C 2.427 180.025 177.584 0.023 0.000 1.216 563 A CA 1.934 53.982 52.037 0.018 0.000 0.615 563 A CB -1.111 17.899 19.000 0.016 0.000 0.862 563 A HN 0.201 nan 8.150 nan 0.000 0.450 564 V N -0.117 119.813 119.914 0.027 0.000 2.277 564 V HA -0.323 3.796 4.120 -0.001 0.000 0.253 564 V C 2.493 178.612 176.094 0.042 0.000 1.067 564 V CA 2.325 64.648 62.300 0.038 0.000 1.047 564 V CB -1.437 30.414 31.823 0.048 0.000 0.649 564 V HN 0.347 nan 8.190 nan 0.000 0.447 565 V N -0.401 119.536 119.914 0.038 0.000 2.261 565 V HA -0.341 3.779 4.120 -0.001 0.000 0.246 565 V C 2.541 178.653 176.094 0.031 0.000 1.047 565 V CA 2.489 64.812 62.300 0.038 0.000 1.015 565 V CB -0.718 31.122 31.823 0.029 0.000 0.642 565 V HN 0.594 nan 8.190 nan 0.000 0.446 566 Q N 0.157 119.971 119.800 0.024 0.000 2.170 566 Q HA -0.151 4.189 4.340 -0.001 0.000 0.203 566 Q C 2.060 178.072 176.000 0.019 0.000 0.976 566 Q CA 1.948 57.763 55.803 0.019 0.000 0.858 566 Q CB -0.507 28.241 28.738 0.016 0.000 0.907 566 Q HN 0.627 nan 8.270 nan 0.000 0.433 567 A N 0.287 123.121 122.820 0.023 0.000 1.883 567 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 567 A C 2.301 179.900 177.584 0.025 0.000 1.186 567 A CA 2.004 54.054 52.037 0.023 0.000 0.624 567 A CB -1.284 17.732 19.000 0.027 0.000 0.822 567 A HN 0.545 nan 8.150 nan 0.000 0.444 568 A N -0.471 122.369 122.820 0.033 0.000 1.930 568 A HA 0.025 4.344 4.320 -0.001 0.000 0.217 568 A C 2.181 179.780 177.584 0.026 0.000 1.175 568 A CA 1.369 53.427 52.037 0.035 0.000 0.627 568 A CB -0.590 18.441 19.000 0.052 0.000 0.815 568 A HN 0.473 nan 8.150 nan 0.000 0.443 569 L N -0.475 120.762 121.223 0.024 0.000 1.989 569 L HA -0.263 4.077 4.340 -0.001 0.000 0.211 569 L C 2.302 179.178 176.870 0.011 0.000 1.071 569 L CA 1.892 56.742 54.840 0.016 0.000 0.749 569 L CB -0.906 41.161 42.059 0.014 0.000 0.890 569 L HN 0.321 nan 8.230 nan 0.000 0.431 570 D N 0.342 120.748 120.400 0.010 0.000 2.108 570 D HA -0.214 4.426 4.640 -0.001 0.000 0.190 570 D C 2.080 178.384 176.300 0.005 0.000 0.995 570 D CA 1.385 55.389 54.000 0.006 0.000 0.834 570 D CB -0.170 40.634 40.800 0.006 0.000 0.967 570 D HN 0.157 nan 8.370 nan 0.000 0.446 571 K N -0.013 120.392 120.400 0.008 0.000 2.442 571 K HA -0.084 4.236 4.320 -0.001 0.000 0.200 571 K C 1.683 178.285 176.600 0.004 0.000 1.045 571 K CA 0.802 57.093 56.287 0.006 0.000 0.937 571 K CB 0.012 32.518 32.500 0.010 0.000 0.757 571 K HN 0.123 nan 8.250 nan 0.000 0.474 572 A N 1.174 123.997 122.820 0.005 0.000 1.881 572 A HA -0.030 4.290 4.320 -0.001 0.000 0.210 572 A C 1.941 179.524 177.584 -0.002 0.000 1.239 572 A CA 0.404 52.442 52.037 0.003 0.000 0.629 572 A CB -0.085 18.919 19.000 0.006 0.000 0.906 572 A HN 0.140 nan 8.150 nan 0.000 0.460 573 R N -0.257 120.241 120.500 -0.002 0.000 2.090 573 R HA -0.078 4.261 4.340 -0.001 0.000 0.228 573 R C 2.078 178.373 176.300 -0.007 0.000 1.110 573 R CA 1.329 57.426 56.100 -0.005 0.000 0.973 573 R CB -0.245 30.051 30.300 -0.007 0.000 0.869 573 R HN 0.550 nan 8.270 nan 0.000 0.440 574 E N 0.988 121.184 120.200 -0.007 0.000 2.085 574 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 574 E C 2.045 178.640 176.600 -0.008 0.000 0.994 574 E CA 1.721 58.116 56.400 -0.008 0.000 0.801 574 E CB -0.631 29.065 29.700 -0.007 0.000 0.743 574 E HN 0.329 nan 8.360 nan 0.000 0.453 575 G N 0.549 109.344 108.800 -0.007 0.000 2.545 575 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.222 575 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.222 575 G C 0.586 175.481 174.900 -0.008 0.000 1.126 575 G CA 1.068 46.164 45.100 -0.008 0.000 0.754 575 G HN 0.226 nan 8.290 nan 0.000 0.583 576 R N -0.231 120.263 120.500 -0.009 0.000 2.604 576 R HA 0.464 4.804 4.340 -0.001 0.000 0.287 576 R C -0.215 176.079 176.300 -0.010 0.000 0.970 576 R CA -0.339 55.756 56.100 -0.009 0.000 0.946 576 R CB 1.235 31.529 30.300 -0.009 0.000 1.127 576 R HN 0.087 nan 8.270 nan 0.000 0.473 577 T N -0.171 114.378 114.554 -0.009 0.000 2.799 577 T HA 0.092 4.441 4.350 -0.001 0.000 0.296 577 T C -0.049 174.641 174.700 -0.016 0.000 0.947 577 T CA -0.046 62.046 62.100 -0.014 0.000 1.141 577 T CB 0.639 69.500 68.868 -0.011 0.000 0.891 577 T HN 0.596 nan 8.240 nan 0.000 0.533 578 T N 5.608 120.148 114.554 -0.023 0.000 2.921 578 T HA 0.469 4.819 4.350 -0.001 0.000 0.297 578 T C -0.899 173.779 174.700 -0.036 0.000 1.013 578 T CA -1.013 61.073 62.100 -0.024 0.000 0.990 578 T CB 1.014 69.872 68.868 -0.017 0.000 1.023 578 T HN 0.684 nan 8.240 nan 0.000 0.447 579 I N 6.224 126.772 120.570 -0.038 0.000 2.304 579 I HA 0.551 4.720 4.170 -0.001 0.000 0.291 579 I C -0.656 175.441 176.117 -0.033 0.000 1.018 579 I CA -0.580 60.689 61.300 -0.052 0.000 1.260 579 I CB 0.834 38.789 38.000 -0.074 0.000 1.390 579 I HN 0.534 nan 8.210 nan 0.000 0.475 580 V N 9.399 129.294 119.914 -0.032 0.000 2.540 580 V HA 0.516 4.636 4.120 -0.001 0.000 0.302 580 V C -0.805 175.274 176.094 -0.026 0.000 1.035 580 V CA -0.674 61.611 62.300 -0.025 0.000 0.873 580 V CB 2.224 34.034 31.823 -0.021 0.000 0.992 580 V HN 0.582 nan 8.190 nan 0.000 0.428 581 I N 6.734 127.284 120.570 -0.035 0.000 2.433 581 I HA 0.926 5.096 4.170 -0.001 0.000 0.292 581 I C -0.341 175.717 176.117 -0.097 0.000 1.001 581 I CA 0.073 61.342 61.300 -0.051 0.000 1.119 581 I CB 1.189 39.155 38.000 -0.057 0.000 1.289 581 I HN 0.946 nan 8.210 nan 0.000 0.438 582 A N 6.463 129.200 122.820 -0.137 0.000 2.515 582 A HA 0.477 4.797 4.320 -0.001 0.000 0.292 582 A C -0.669 176.764 177.584 -0.252 0.000 1.065 582 A CA -0.497 51.411 52.037 -0.215 0.000 0.641 582 A CB 0.762 19.717 19.000 -0.074 0.000 1.306 582 A HN 0.784 nan 8.150 nan 0.000 0.441 583 H N 0.164 119.263 119.070 0.048 0.000 2.582 583 H HA 0.131 4.687 4.556 -0.001 0.000 0.269 583 H C 0.172 175.525 175.328 0.043 0.000 0.962 583 H CA 0.312 56.389 56.048 0.047 0.000 1.230 583 H CB 0.386 30.168 29.762 0.034 0.000 1.445 583 H HN 0.365 nan 8.280 nan 0.000 0.528 584 R N 2.596 123.173 120.500 0.130 0.000 3.206 584 R HA 0.006 4.346 4.340 -0.001 0.000 0.209 584 R C 1.037 177.383 176.300 0.077 0.000 1.632 584 R CA -0.147 56.004 56.100 0.086 0.000 1.234 584 R CB -0.352 29.983 30.300 0.059 0.000 1.270 584 R HN 0.203 nan 8.270 nan 0.000 0.665 585 L N 0.733 122.011 121.223 0.091 0.000 2.283 585 L HA -0.278 4.061 4.340 -0.001 0.000 0.217 585 L C 2.351 179.262 176.870 0.069 0.000 1.104 585 L CA 2.074 56.979 54.840 0.108 0.000 0.772 585 L CB -1.368 40.733 42.059 0.070 0.000 0.899 585 L HN 0.432 nan 8.230 nan 0.000 0.439 586 S N -0.485 115.237 115.700 0.037 0.000 2.382 586 S HA -0.154 4.315 4.470 -0.001 0.000 0.228 586 S C 1.779 176.386 174.600 0.011 0.000 1.027 586 S CA 1.619 59.827 58.200 0.013 0.000 0.991 586 S CB -0.462 62.744 63.200 0.011 0.000 0.823 586 S HN 0.594 nan 8.310 nan 0.000 0.469 587 T N -1.361 113.207 114.554 0.024 0.000 3.163 587 T HA 0.390 4.740 4.350 -0.001 0.000 0.252 587 T C 1.309 176.022 174.700 0.021 0.000 1.056 587 T CA 0.191 62.301 62.100 0.017 0.000 0.947 587 T CB 0.273 69.152 68.868 0.018 0.000 1.016 587 T HN 0.198 nan 8.240 nan 0.000 0.554 588 V N 1.060 120.999 119.914 0.042 0.000 2.341 588 V HA 0.088 4.207 4.120 -0.001 0.000 0.240 588 V C 2.701 178.814 176.094 0.031 0.000 1.035 588 V CA 1.062 63.397 62.300 0.058 0.000 1.033 588 V CB -0.497 31.419 31.823 0.156 0.000 0.678 588 V HN 0.428 nan 8.190 nan 0.000 0.464 589 R N 2.988 123.499 120.500 0.019 0.000 2.290 589 R HA -0.299 4.041 4.340 -0.001 0.000 0.232 589 R C 1.595 177.869 176.300 -0.043 0.000 1.110 589 R CA 2.688 58.743 56.100 -0.076 0.000 0.871 589 R CB -1.652 28.561 30.300 -0.144 0.000 0.964 589 R HN 0.774 nan 8.270 nan 0.000 0.410 590 N N 0.511 119.192 118.700 -0.033 0.000 2.719 590 N HA -0.016 4.723 4.740 -0.001 0.000 0.207 590 N C -0.905 174.595 175.510 -0.018 0.000 1.551 590 N CA 0.878 53.916 53.050 -0.021 0.000 0.914 590 N CB -0.490 37.987 38.487 -0.016 0.000 1.215 590 N HN 0.463 nan 8.380 nan 0.000 0.480 591 A N 0.252 123.060 122.820 -0.021 0.000 2.301 591 A HA 0.248 4.568 4.320 -0.001 0.000 0.298 591 A C 0.555 178.119 177.584 -0.032 0.000 1.185 591 A CA -0.654 51.363 52.037 -0.032 0.000 0.830 591 A CB 0.596 19.565 19.000 -0.052 0.000 1.112 591 A HN 0.094 nan 8.150 nan 0.000 0.508 592 D N 0.234 120.613 120.400 -0.033 0.000 2.218 592 D HA 0.020 4.660 4.640 -0.001 0.000 0.204 592 D C 0.511 176.785 176.300 -0.043 0.000 0.976 592 D CA 2.003 55.984 54.000 -0.031 0.000 0.853 592 D CB 0.193 40.974 40.800 -0.031 0.000 0.939 592 D HN 0.422 nan 8.370 nan 0.000 0.481 593 V N -0.739 119.139 119.914 -0.061 0.000 3.236 593 V HA 0.420 4.540 4.120 -0.001 0.000 0.287 593 V C -1.877 174.147 176.094 -0.117 0.000 1.491 593 V CA -0.872 61.377 62.300 -0.086 0.000 1.037 593 V CB 1.928 33.703 31.823 -0.080 0.000 1.160 593 V HN -0.214 nan 8.190 nan 0.000 0.453 594 I N 3.382 123.854 120.570 -0.164 0.000 2.934 594 I HA 1.013 5.183 4.170 -0.001 0.000 0.306 594 I C 0.045 176.045 176.117 -0.195 0.000 1.110 594 I CA -0.100 61.074 61.300 -0.210 0.000 1.019 594 I CB 2.065 39.823 38.000 -0.404 0.000 1.227 594 I HN 1.036 nan 8.210 nan 0.000 0.434 595 A N 1.662 124.373 122.820 -0.182 0.000 2.486 595 A HA 0.804 5.123 4.320 -0.001 0.000 0.300 595 A C -0.406 177.008 177.584 -0.283 0.000 1.048 595 A CA -0.543 51.345 52.037 -0.249 0.000 0.696 595 A CB 1.374 20.207 19.000 -0.278 0.000 1.278 595 A HN 0.868 nan 8.150 nan 0.000 0.405 596 G N 0.955 109.551 108.800 -0.339 0.000 2.391 596 G HA2 0.546 4.505 3.960 -0.001 0.000 0.305 596 G HA3 0.546 4.505 3.960 -0.001 0.000 0.305 596 G C -0.819 173.858 174.900 -0.372 0.000 1.072 596 G CA 0.055 45.013 45.100 -0.238 0.000 1.016 596 G HN 0.345 nan 8.290 nan 0.000 0.418 597 F N 0.223 120.190 119.950 0.028 0.000 2.712 597 F HA 0.684 5.210 4.527 -0.001 0.000 0.367 597 F C 0.196 176.020 175.800 0.040 0.000 1.132 597 F CA -1.252 56.763 58.000 0.025 0.000 1.066 597 F CB 2.660 41.669 39.000 0.014 0.000 1.416 597 F HN 0.414 nan 8.300 nan 0.000 0.515 598 D N -0.062 120.514 120.400 0.294 0.000 3.441 598 D HA 0.361 5.000 4.640 -0.001 0.000 0.131 598 D C -0.548 175.827 176.300 0.124 0.000 0.934 598 D CA 0.818 54.920 54.000 0.170 0.000 1.949 598 D CB -0.630 40.249 40.800 0.131 0.000 0.635 598 D HN 0.969 nan 8.370 nan 0.000 0.885 599 G N 1.355 110.211 108.800 0.093 0.000 2.734 599 G HA2 0.373 4.333 3.960 -0.001 0.000 0.277 599 G HA3 0.373 4.333 3.960 -0.001 0.000 0.277 599 G C 0.843 175.766 174.900 0.038 0.000 1.099 599 G CA 0.349 45.476 45.100 0.045 0.000 1.218 599 G HN 1.491 nan 8.290 nan 0.000 0.554 600 G N -1.738 107.065 108.800 0.005 0.000 2.352 600 G HA2 0.196 4.156 3.960 -0.001 0.000 0.283 600 G HA3 0.196 4.156 3.960 -0.001 0.000 0.283 600 G C 0.390 175.379 174.900 0.149 0.000 0.946 600 G CA 0.871 45.996 45.100 0.043 0.000 1.317 600 G HN 2.246 nan 8.290 nan 0.000 0.478 601 V N 3.595 123.693 119.914 0.308 0.000 2.841 601 V HA 0.460 4.580 4.120 -0.001 0.000 0.258 601 V C -0.089 176.066 176.094 0.102 0.000 0.973 601 V CA -0.782 61.627 62.300 0.183 0.000 0.921 601 V CB 0.750 32.634 31.823 0.102 0.000 1.053 601 V HN 1.071 nan 8.190 nan 0.000 0.498 602 I N 7.765 128.339 120.570 0.007 0.000 2.496 602 I HA 0.584 4.754 4.170 -0.001 0.000 0.285 602 I C 0.617 176.616 176.117 -0.197 0.000 1.080 602 I CA 1.503 62.614 61.300 -0.315 0.000 1.404 602 I CB 1.478 39.355 38.000 -0.205 0.000 1.403 602 I HN 0.595 nan 8.210 nan 0.000 0.539 603 V N 3.154 122.924 119.914 -0.240 0.000 5.538 603 V HA 0.449 4.569 4.120 -0.001 0.000 0.108 603 V C -0.099 175.923 176.094 -0.121 0.000 1.027 603 V CA -0.498 61.724 62.300 -0.130 0.000 1.178 603 V CB -0.713 31.064 31.823 -0.076 0.000 1.799 603 V HN 0.617 nan 8.190 nan 0.000 0.592 604 E N 2.895 123.031 120.200 -0.106 0.000 2.129 604 E HA 0.450 4.799 4.350 -0.001 0.000 0.283 604 E C -0.489 176.038 176.600 -0.122 0.000 1.080 604 E CA 0.066 56.416 56.400 -0.084 0.000 0.867 604 E CB 0.921 30.602 29.700 -0.030 0.000 1.056 604 E HN 0.575 nan 8.360 nan 0.000 0.404 605 Q N 2.551 122.282 119.800 -0.114 0.000 2.309 605 Q HA 0.606 4.946 4.340 -0.001 0.000 0.264 605 Q C -0.261 175.678 176.000 -0.102 0.000 1.008 605 Q CA -0.433 55.295 55.803 -0.125 0.000 0.853 605 Q CB 1.471 30.139 28.738 -0.117 0.000 1.314 605 Q HN 0.682 nan 8.270 nan 0.000 0.448 606 G N 2.362 111.094 108.800 -0.113 0.000 2.369 606 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.295 606 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.295 606 G C -1.523 173.315 174.900 -0.103 0.000 1.298 606 G CA -0.678 44.368 45.100 -0.090 0.000 0.940 606 G HN 0.795 nan 8.290 nan 0.000 0.536 607 N N -1.161 117.500 118.700 -0.065 0.000 2.399 607 N HA 0.299 5.039 4.740 -0.001 0.000 0.250 607 N C 1.474 176.971 175.510 -0.023 0.000 1.272 607 N CA 0.853 53.881 53.050 -0.036 0.000 0.928 607 N CB 0.709 39.197 38.487 0.001 0.000 1.158 607 N HN 0.877 nan 8.380 nan 0.000 0.463 608 H N 1.331 120.370 119.070 -0.053 0.000 2.371 608 H HA -0.213 4.342 4.556 -0.001 0.000 0.292 608 H C 0.559 175.982 175.328 0.158 0.000 1.066 608 H CA 2.930 59.014 56.048 0.060 0.000 1.153 608 H CB -0.674 29.162 29.762 0.123 0.000 1.375 608 H HN 0.832 nan 8.280 nan 0.000 0.558 609 D N 0.125 120.431 120.400 -0.157 0.000 2.280 609 D HA -0.157 4.483 4.640 -0.001 0.000 0.206 609 D C 1.941 178.175 176.300 -0.110 0.000 0.988 609 D CA 1.537 55.428 54.000 -0.182 0.000 0.886 609 D CB -0.143 40.669 40.800 0.020 0.000 0.914 609 D HN 0.688 nan 8.370 nan 0.000 0.473 610 E N -0.189 119.973 120.200 -0.063 0.000 2.051 610 E HA -0.059 4.290 4.350 -0.001 0.000 0.189 610 E C 1.685 178.265 176.600 -0.034 0.000 0.979 610 E CA 0.491 56.862 56.400 -0.047 0.000 0.803 610 E CB -0.045 29.631 29.700 -0.040 0.000 0.761 610 E HN 0.233 nan 8.360 nan 0.000 0.451 611 L N 0.509 121.735 121.223 0.005 0.000 2.395 611 L HA -0.037 4.303 4.340 -0.001 0.000 0.218 611 L C 2.188 179.175 176.870 0.195 0.000 1.130 611 L CA 0.996 55.904 54.840 0.113 0.000 0.826 611 L CB -0.134 42.007 42.059 0.137 0.000 0.941 611 L HN 0.168 nan 8.230 nan 0.000 0.451 612 M N -1.650 118.006 119.600 0.094 0.000 2.216 612 M HA -0.020 4.460 4.480 -0.001 0.000 0.264 612 M C 2.181 178.375 176.300 -0.177 0.000 1.080 612 M CA 0.957 56.285 55.300 0.047 0.000 1.153 612 M CB -0.612 31.936 32.600 -0.087 0.000 1.356 612 M HN 0.095 nan 8.290 nan 0.000 0.432 613 R N 0.594 121.011 120.500 -0.139 0.000 2.200 613 R HA -0.171 4.169 4.340 -0.001 0.000 0.234 613 R C 1.792 177.992 176.300 -0.166 0.000 1.127 613 R CA 1.240 57.248 56.100 -0.152 0.000 0.989 613 R CB -0.286 29.958 30.300 -0.093 0.000 0.869 613 R HN 0.343 nan 8.270 nan 0.000 0.459 614 E N 0.637 120.762 120.200 -0.125 0.000 2.170 614 E HA -0.078 4.272 4.350 -0.001 0.000 0.191 614 E C 0.060 176.562 176.600 -0.162 0.000 0.981 614 E CA 0.794 57.135 56.400 -0.099 0.000 0.830 614 E CB 0.158 29.841 29.700 -0.029 0.000 0.775 614 E HN 0.128 nan 8.360 nan 0.000 0.470 615 K N -1.397 118.829 120.400 -0.290 0.000 3.230 615 K HA -0.184 4.135 4.320 -0.001 0.000 0.285 615 K C 0.621 177.241 176.600 0.034 0.000 1.196 615 K CA 0.301 56.264 56.287 -0.540 0.000 0.838 615 K CB -1.994 30.163 32.500 -0.571 0.000 1.262 615 K HN 0.312 nan 8.250 nan 0.000 0.492 616 G N 0.828 109.696 108.800 0.112 0.000 3.137 616 G HA2 0.281 4.241 3.960 -0.001 0.000 0.163 616 G HA3 0.281 4.241 3.960 -0.001 0.000 0.163 616 G C 1.138 176.146 174.900 0.181 0.000 1.602 616 G CA -0.163 45.014 45.100 0.129 0.000 1.067 616 G HN 0.019 nan 8.290 nan 0.000 0.568 617 I N -0.585 120.065 120.570 0.134 0.000 2.133 617 I HA -0.087 4.082 4.170 -0.001 0.000 0.238 617 I C 2.433 178.650 176.117 0.166 0.000 1.074 617 I CA 1.235 62.608 61.300 0.123 0.000 1.342 617 I CB -1.259 36.796 38.000 0.091 0.000 1.053 617 I HN 0.404 nan 8.210 nan 0.000 0.404 618 Y N 1.930 122.269 120.300 0.065 0.000 1.993 618 Y HA -0.381 4.169 4.550 -0.001 0.000 0.267 618 Y C 2.751 178.707 175.900 0.094 0.000 1.155 618 Y CA 1.895 60.038 58.100 0.071 0.000 1.105 618 Y CB -1.366 37.132 38.460 0.064 0.000 0.960 618 Y HN 0.141 nan 8.280 nan 0.000 0.486 619 F N 1.364 121.249 119.950 -0.108 0.000 2.063 619 F HA -0.319 4.207 4.527 -0.001 0.000 0.298 619 F C 2.500 178.213 175.800 -0.146 0.000 1.105 619 F CA 2.680 60.561 58.000 -0.197 0.000 1.215 619 F CB -0.711 38.242 39.000 -0.079 0.000 0.972 619 F HN 0.033 nan 8.300 nan 0.000 0.483 620 K N 0.675 121.039 120.400 -0.060 0.000 1.980 620 K HA -0.202 4.118 4.320 -0.001 0.000 0.223 620 K C 2.114 178.585 176.600 -0.215 0.000 1.052 620 K CA 2.098 58.300 56.287 -0.142 0.000 0.974 620 K CB -1.067 31.452 32.500 0.032 0.000 0.734 620 K HN 0.294 nan 8.250 nan 0.000 0.447 621 L N 1.337 122.496 121.223 -0.106 0.000 2.129 621 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 621 L C 2.623 179.394 176.870 -0.166 0.000 1.087 621 L CA 1.114 55.902 54.840 -0.086 0.000 0.757 621 L CB -1.300 40.766 42.059 0.013 0.000 0.896 621 L HN 0.046 nan 8.230 nan 0.000 0.434 622 V N -0.672 119.059 119.914 -0.304 0.000 2.295 622 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 622 V C 2.581 178.487 176.094 -0.314 0.000 1.049 622 V CA 1.444 63.525 62.300 -0.367 0.000 1.024 622 V CB -0.358 31.105 31.823 -0.600 0.000 0.648 622 V HN 0.318 nan 8.190 nan 0.000 0.447 623 M N -0.433 118.901 119.600 -0.443 0.000 2.288 623 M HA -0.045 4.434 4.480 -0.001 0.000 0.266 623 M C 2.237 178.395 176.300 -0.236 0.000 1.072 623 M CA 1.419 56.489 55.300 -0.383 0.000 1.132 623 M CB -1.786 30.453 32.600 -0.601 0.000 1.386 623 M HN 0.392 nan 8.290 nan 0.000 0.432 624 T N 0.545 114.974 114.554 -0.208 0.000 2.759 624 T HA -0.170 4.180 4.350 -0.001 0.000 0.269 624 T C 1.782 176.424 174.700 -0.097 0.000 1.042 624 T CA 1.183 63.208 62.100 -0.125 0.000 1.140 624 T CB -0.162 68.651 68.868 -0.092 0.000 0.864 624 T HN 0.493 nan 8.240 nan 0.000 0.455 625 Q N 0.320 120.060 119.800 -0.101 0.000 2.432 625 Q HA 0.143 4.482 4.340 -0.001 0.000 0.205 625 Q C 0.053 176.011 176.000 -0.070 0.000 0.945 625 Q CA 0.329 56.091 55.803 -0.070 0.000 0.924 625 Q CB 0.165 28.873 28.738 -0.050 0.000 1.016 625 Q HN 0.460 nan 8.270 nan 0.000 0.503 685 D N 1.569 121.957 120.400 -0.019 0.000 2.354 685 D HA 0.470 5.110 4.640 -0.001 0.000 0.247 685 D C 0.553 176.853 176.300 -0.001 0.000 1.138 685 D CA 0.050 54.046 54.000 -0.006 0.000 0.958 685 D CB 2.308 43.110 40.800 0.004 0.000 1.144 685 D HN 0.556 nan 8.370 nan 0.000 0.458 686 E N -1.573 118.642 120.200 0.025 0.000 1.686 686 E HA -0.049 4.300 4.350 -0.001 0.000 0.242 686 E C -0.871 175.803 176.600 0.125 0.000 1.064 686 E CA -0.352 56.084 56.400 0.060 0.000 1.555 686 E CB -0.748 28.976 29.700 0.040 0.000 4.074 686 E HN 0.279 nan 8.360 nan 0.000 0.884 687 D N 2.862 123.360 120.400 0.162 0.000 5.509 687 D HA -0.026 4.613 4.640 -0.001 0.000 0.121 687 D C 0.117 176.493 176.300 0.127 0.000 0.991 687 D CA 1.216 55.342 54.000 0.209 0.000 0.640 687 D CB 0.150 41.025 40.800 0.125 0.000 1.258 687 D HN 0.140 nan 8.370 nan 0.000 0.696 688 V N 1.380 121.330 119.914 0.061 0.000 2.581 688 V HA 0.247 4.366 4.120 -0.001 0.000 0.303 688 V C -1.369 174.703 176.094 -0.037 0.000 1.041 688 V CA -1.543 60.745 62.300 -0.020 0.000 0.907 688 V CB 1.478 33.248 31.823 -0.089 0.000 0.994 688 V HN 0.254 nan 8.190 nan 0.000 0.442 689 P HA 0.023 nan 4.420 nan 0.000 0.215 689 P C -1.815 175.481 177.300 -0.007 0.000 1.157 689 P CA 0.733 63.832 63.100 -0.002 0.000 0.868 689 P CB -1.102 30.602 31.700 0.007 0.000 0.788 690 P HA 0.042 nan 4.420 nan 0.000 0.260 690 P C -0.103 177.191 177.300 -0.010 0.000 1.185 690 P CA 0.549 63.646 63.100 -0.005 0.000 0.763 690 P CB 0.403 32.097 31.700 -0.011 0.000 0.776 691 A N 2.401 125.239 122.820 0.031 0.000 3.748 691 A HA 0.670 4.990 4.320 -0.001 0.000 0.180 691 A C 0.567 178.194 177.584 0.071 0.000 1.758 691 A CA 0.317 52.386 52.037 0.052 0.000 1.736 691 A CB -0.071 18.984 19.000 0.093 0.000 1.559 691 A HN 0.406 nan 8.150 nan 0.000 0.575 692 S N -1.265 114.512 115.700 0.130 0.000 3.202 692 S HA 0.166 4.636 4.470 -0.001 0.000 0.132 692 S C -0.533 174.167 174.600 0.165 0.000 0.854 692 S CA -0.335 57.933 58.200 0.113 0.000 0.832 692 S CB -1.097 62.127 63.200 0.041 0.000 1.430 692 S HN 1.421 nan 8.310 nan 0.000 0.643 693 F N 2.517 122.549 119.950 0.137 0.000 2.433 693 F HA 0.130 4.657 4.527 -0.001 0.000 0.398 693 F C 0.999 177.041 175.800 0.403 0.000 1.002 693 F CA 0.753 58.878 58.000 0.209 0.000 1.053 693 F CB -0.643 38.337 39.000 -0.032 0.000 0.928 693 F HN 0.710 nan 8.300 nan 0.000 0.529 694 W N 2.796 123.952 121.300 -0.239 0.000 2.929 694 W HA -0.426 4.234 4.660 -0.001 0.000 0.272 694 W C 2.173 178.434 176.519 -0.430 0.000 1.040 694 W CA 0.882 58.014 57.345 -0.356 0.000 0.569 694 W CB -0.933 28.203 29.460 -0.540 0.000 2.058 694 W HN 0.728 nan 8.180 nan 0.000 1.477 695 R N 2.003 122.377 120.500 -0.211 0.000 2.062 695 R HA -0.123 4.217 4.340 -0.001 0.000 0.229 695 R C 2.243 178.489 176.300 -0.090 0.000 1.128 695 R CA 2.007 58.001 56.100 -0.176 0.000 0.960 695 R CB -0.683 29.539 30.300 -0.129 0.000 0.855 695 R HN 0.439 nan 8.270 nan 0.000 0.432 696 I N 0.610 121.141 120.570 -0.065 0.000 3.241 696 I HA -0.080 4.089 4.170 -0.001 0.000 0.280 696 I C 1.551 177.613 176.117 -0.092 0.000 1.320 696 I CA 0.471 61.731 61.300 -0.065 0.000 1.413 696 I CB -0.335 37.624 38.000 -0.069 0.000 1.060 696 I HN 0.179 nan 8.210 nan 0.000 0.500 697 L N 0.454 121.612 121.223 -0.109 0.000 2.084 697 L HA 0.138 4.478 4.340 -0.001 0.000 0.202 697 L C 2.284 179.075 176.870 -0.132 0.000 1.074 697 L CA 1.046 55.789 54.840 -0.160 0.000 0.757 697 L CB -1.324 40.593 42.059 -0.237 0.000 0.918 697 L HN -0.015 nan 8.230 nan 0.000 0.444 698 K N 0.562 120.903 120.400 -0.098 0.000 1.977 698 K HA -0.121 4.199 4.320 -0.001 0.000 0.218 698 K C 2.218 178.793 176.600 -0.042 0.000 1.051 698 K CA 2.203 58.454 56.287 -0.060 0.000 0.953 698 K CB -0.841 31.629 32.500 -0.050 0.000 0.727 698 K HN 0.302 nan 8.250 nan 0.000 0.445 699 L N 1.475 122.673 121.223 -0.040 0.000 2.187 699 L HA -0.226 4.113 4.340 -0.001 0.000 0.213 699 L C 2.155 179.011 176.870 -0.022 0.000 1.100 699 L CA 0.643 55.471 54.840 -0.021 0.000 0.765 699 L CB -0.618 41.428 42.059 -0.021 0.000 0.904 699 L HN 0.263 nan 8.230 nan 0.000 0.437 700 N N 0.131 118.794 118.700 -0.061 0.000 2.020 700 N HA -0.222 4.518 4.740 -0.001 0.000 0.199 700 N C 1.964 177.449 175.510 -0.042 0.000 1.059 700 N CA 2.078 55.075 53.050 -0.089 0.000 0.877 700 N CB -0.590 37.791 38.487 -0.177 0.000 1.078 700 N HN 0.097 nan 8.380 nan 0.000 0.452 701 S N -0.471 115.180 115.700 -0.081 0.000 2.413 701 S HA -0.195 4.275 4.470 -0.001 0.000 0.237 701 S C 1.957 176.675 174.600 0.198 0.000 1.044 701 S CA 1.750 60.004 58.200 0.089 0.000 1.024 701 S CB -0.779 62.464 63.200 0.072 0.000 0.829 701 S HN 0.489 nan 8.310 nan 0.000 0.475 702 T N 1.855 116.463 114.554 0.090 0.000 2.622 702 T HA -0.132 4.217 4.350 -0.001 0.000 0.266 702 T C 1.066 175.823 174.700 0.094 0.000 1.047 702 T CA 1.355 63.500 62.100 0.075 0.000 1.159 702 T CB -0.450 68.439 68.868 0.034 0.000 0.863 702 T HN 0.426 nan 8.240 nan 0.000 0.422 703 E N 0.225 120.477 120.200 0.087 0.000 2.651 703 E HA 0.186 4.535 4.350 -0.001 0.000 0.236 703 E C -0.792 175.928 176.600 0.200 0.000 1.422 703 E CA -0.066 56.392 56.400 0.096 0.000 1.534 703 E CB -0.376 29.365 29.700 0.067 0.000 1.381 703 E HN 0.450 nan 8.360 nan 0.000 0.435 704 W N 0.238 121.497 121.300 -0.068 0.000 3.479 704 W HA 0.307 4.967 4.660 -0.001 0.000 0.304 704 W C -2.409 174.026 176.519 -0.141 0.000 1.243 704 W CA -1.782 55.495 57.345 -0.113 0.000 1.202 704 W CB 1.342 30.754 29.460 -0.081 0.000 1.346 704 W HN -0.112 nan 8.180 nan 0.000 0.539 705 P HA 0.204 nan 4.420 nan 0.000 0.208 705 P C -1.153 175.565 177.300 -0.970 0.000 1.131 705 P CA 1.220 63.927 63.100 -0.655 0.000 0.906 705 P CB 1.502 32.728 31.700 -0.791 0.000 0.764 706 Y N -3.292 115.877 120.300 -1.885 0.000 2.739 706 Y HA 0.483 5.033 4.550 -0.001 0.000 0.377 706 Y C -2.015 172.976 175.900 -1.514 0.000 1.209 706 Y CA -1.808 55.077 58.100 -2.025 0.000 1.448 706 Y CB -0.720 37.212 38.460 -0.879 0.000 1.428 706 Y HN -0.074 nan 8.280 nan 0.000 0.530 707 F N 3.389 123.145 119.950 -0.324 0.000 2.791 707 F HA 0.141 4.667 4.527 -0.001 0.000 0.420 707 F C 0.620 176.670 175.800 0.416 0.000 1.265 707 F CA -0.467 57.633 58.000 0.167 0.000 1.110 707 F CB 0.937 40.038 39.000 0.168 0.000 2.417 707 F HN 0.674 nan 8.300 nan 0.000 0.502 708 V N 0.592 120.837 119.914 0.551 0.000 2.490 708 V HA -0.190 3.929 4.120 -0.001 0.000 0.250 708 V C 1.959 178.295 176.094 0.403 0.000 1.061 708 V CA 2.584 65.160 62.300 0.461 0.000 1.064 708 V CB 0.164 32.194 31.823 0.344 0.000 0.670 708 V HN 0.511 nan 8.190 nan 0.000 0.461 709 V N 1.591 121.683 119.914 0.296 0.000 2.231 709 V HA -0.180 3.940 4.120 -0.001 0.000 0.250 709 V C 2.421 178.654 176.094 0.230 0.000 1.058 709 V CA 3.065 65.455 62.300 0.149 0.000 1.022 709 V CB -1.648 30.192 31.823 0.028 0.000 0.640 709 V HN 0.552 nan 8.190 nan 0.000 0.445 710 G N 0.035 108.962 108.800 0.213 0.000 2.639 710 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.216 710 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.216 710 G C 1.709 176.763 174.900 0.256 0.000 1.267 710 G CA 1.378 46.608 45.100 0.216 0.000 0.801 710 G HN 0.767 nan 8.290 nan 0.000 0.592 711 I N -0.752 119.991 120.570 0.289 0.000 2.381 711 I HA -0.233 3.937 4.170 -0.001 0.000 0.255 711 I C 2.356 178.605 176.117 0.219 0.000 1.140 711 I CA 1.524 62.958 61.300 0.223 0.000 1.404 711 I CB -0.162 37.962 38.000 0.206 0.000 1.075 711 I HN 0.215 nan 8.210 nan 0.000 0.433 712 F N 2.047 122.065 119.950 0.113 0.000 2.010 712 F HA -0.340 4.186 4.527 -0.001 0.000 0.296 712 F C 2.970 178.811 175.800 0.068 0.000 1.146 712 F CA 2.620 60.671 58.000 0.086 0.000 1.181 712 F CB -0.673 38.374 39.000 0.078 0.000 0.965 712 F HN 0.457 nan 8.300 nan 0.000 0.480 713 C N 0.399 119.896 119.300 0.330 0.000 2.419 713 C HA 0.042 4.501 4.460 -0.001 0.000 0.283 713 C C 2.812 177.839 174.990 0.062 0.000 1.373 713 C CA 0.145 59.274 59.018 0.186 0.000 1.781 713 C CB -2.151 25.682 27.740 0.154 0.000 1.886 713 C HN 0.548 nan 8.230 nan 0.000 0.520 714 A N 2.769 125.621 122.820 0.053 0.000 1.859 714 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 714 A C 2.183 179.831 177.584 0.106 0.000 1.198 714 A CA 2.361 54.381 52.037 -0.029 0.000 0.629 714 A CB -0.625 18.435 19.000 0.099 0.000 0.830 714 A HN 0.581 nan 8.150 nan 0.000 0.446 715 I N 0.766 121.395 120.570 0.097 0.000 2.151 715 I HA -0.290 3.879 4.170 -0.001 0.000 0.243 715 I C 2.566 178.736 176.117 0.088 0.000 1.080 715 I CA 2.170 63.516 61.300 0.076 0.000 1.339 715 I CB -1.859 36.094 38.000 -0.079 0.000 1.039 715 I HN 0.611 nan 8.210 nan 0.000 0.409 716 I N 0.840 121.438 120.570 0.046 0.000 2.179 716 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 716 I C 2.390 178.579 176.117 0.119 0.000 1.088 716 I CA 1.909 63.253 61.300 0.074 0.000 1.357 716 I CB -1.165 36.886 38.000 0.087 0.000 1.051 716 I HN 0.158 nan 8.210 nan 0.000 0.409 717 N N 1.720 120.466 118.700 0.075 0.000 2.060 717 N HA -0.212 4.528 4.740 -0.001 0.000 0.195 717 N C 1.998 177.699 175.510 0.319 0.000 1.028 717 N CA 2.419 55.510 53.050 0.067 0.000 0.861 717 N CB -0.911 37.342 38.487 -0.389 0.000 1.029 717 N HN 0.632 nan 8.380 nan 0.000 0.428 718 G N -0.316 108.811 108.800 0.545 0.000 2.514 718 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.217 718 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.217 718 G C 1.616 176.646 174.900 0.216 0.000 1.198 718 G CA 1.435 46.831 45.100 0.493 0.000 0.780 718 G HN 0.515 nan 8.290 nan 0.000 0.565 719 G N 0.781 109.670 108.800 0.148 0.000 2.476 719 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.218 719 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.218 719 G C 1.767 176.763 174.900 0.160 0.000 1.164 719 G CA 1.194 46.354 45.100 0.100 0.000 0.768 719 G HN 0.422 nan 8.290 nan 0.000 0.560 720 L N 0.617 121.954 121.223 0.190 0.000 2.054 720 L HA -0.246 4.094 4.340 -0.001 0.000 0.220 720 L C 2.813 179.859 176.870 0.293 0.000 1.081 720 L CA 2.936 57.910 54.840 0.222 0.000 0.780 720 L CB -0.956 41.236 42.059 0.223 0.000 0.893 720 L HN 0.410 nan 8.230 nan 0.000 0.438 721 Q N -0.397 119.590 119.800 0.312 0.000 1.967 721 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 721 Q C -0.395 175.877 176.000 0.454 0.000 0.985 721 Q CA 2.496 58.531 55.803 0.385 0.000 0.839 721 Q CB -1.414 27.520 28.738 0.326 0.000 0.906 721 Q HN 0.295 nan 8.270 nan 0.000 0.423 722 P HA -0.169 nan 4.420 nan 0.000 0.218 722 P C 0.563 178.111 177.300 0.413 0.000 1.146 722 P CA 1.954 65.331 63.100 0.462 0.000 0.813 722 P CB -0.317 31.396 31.700 0.022 0.000 0.778 723 A N -0.620 122.382 122.820 0.304 0.000 1.873 723 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 723 A C 2.100 179.853 177.584 0.281 0.000 1.193 723 A CA 1.893 54.079 52.037 0.249 0.000 0.629 723 A CB -1.904 17.227 19.000 0.218 0.000 0.826 723 A HN 0.210 nan 8.150 nan 0.000 0.447 724 F N 1.721 121.838 119.950 0.278 0.000 2.069 724 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 724 F C 2.469 178.485 175.800 0.359 0.000 1.113 724 F CA 1.916 60.101 58.000 0.307 0.000 1.214 724 F CB -0.776 38.427 39.000 0.338 0.000 0.978 724 F HN 0.211 nan 8.300 nan 0.000 0.474 725 S N 0.361 116.155 115.700 0.157 0.000 2.381 725 S HA -0.261 4.208 4.470 -0.001 0.000 0.230 725 S C 2.125 176.729 174.600 0.008 0.000 1.052 725 S CA 1.907 60.152 58.200 0.074 0.000 1.068 725 S CB -0.985 62.415 63.200 0.333 0.000 0.918 725 S HN 0.335 nan 8.310 nan 0.000 0.448 726 V N 1.664 121.627 119.914 0.082 0.000 2.346 726 V HA -0.029 4.091 4.120 -0.001 0.000 0.244 726 V C 2.163 178.243 176.094 -0.023 0.000 1.037 726 V CA 0.923 63.253 62.300 0.050 0.000 1.029 726 V CB -0.601 31.281 31.823 0.098 0.000 0.663 726 V HN 0.410 nan 8.190 nan 0.000 0.454 727 I N 0.262 120.829 120.570 -0.005 0.000 2.194 727 I HA -0.291 3.878 4.170 -0.001 0.000 0.246 727 I C 2.318 178.384 176.117 -0.085 0.000 1.093 727 I CA 2.235 63.531 61.300 -0.007 0.000 1.355 727 I CB -0.549 37.502 38.000 0.085 0.000 1.046 727 I HN 0.440 nan 8.210 nan 0.000 0.413 728 F N 1.906 121.660 119.950 -0.327 0.000 2.039 728 F HA -0.245 4.282 4.527 -0.001 0.000 0.294 728 F C 2.783 178.385 175.800 -0.330 0.000 1.130 728 F CA 2.383 60.162 58.000 -0.369 0.000 1.189 728 F CB -0.753 37.922 39.000 -0.541 0.000 0.983 728 F HN 0.180 nan 8.300 nan 0.000 0.471 729 S N 0.375 115.784 115.700 -0.486 0.000 2.407 729 S HA -0.356 4.114 4.470 -0.001 0.000 0.235 729 S C 2.045 176.392 174.600 -0.423 0.000 1.036 729 S CA 1.687 59.571 58.200 -0.527 0.000 1.013 729 S CB -0.934 62.171 63.200 -0.158 0.000 0.820 729 S HN 0.640 nan 8.310 nan 0.000 0.476 730 K N 1.259 121.483 120.400 -0.292 0.000 1.984 730 K HA -0.053 4.267 4.320 -0.001 0.000 0.209 730 K C 1.980 178.418 176.600 -0.271 0.000 1.046 730 K CA 1.496 57.662 56.287 -0.203 0.000 0.934 730 K CB -0.565 31.866 32.500 -0.115 0.000 0.717 730 K HN 0.268 nan 8.250 nan 0.000 0.438 731 V N 1.800 121.487 119.914 -0.377 0.000 2.220 731 V HA -0.369 3.751 4.120 -0.001 0.000 0.250 731 V C 2.459 178.298 176.094 -0.425 0.000 1.053 731 V CA 2.355 64.388 62.300 -0.446 0.000 1.019 731 V CB -1.008 30.347 31.823 -0.780 0.000 0.646 731 V HN 0.473 nan 8.190 nan 0.000 0.455 732 V N 0.386 119.905 119.914 -0.659 0.000 2.233 732 V HA -0.265 3.854 4.120 -0.001 0.000 0.252 732 V C 2.395 178.358 176.094 -0.218 0.000 1.063 732 V CA 2.688 64.704 62.300 -0.473 0.000 1.032 732 V CB -2.156 29.279 31.823 -0.646 0.000 0.645 732 V HN 0.543 nan 8.190 nan 0.000 0.446 733 G N -0.218 108.433 108.800 -0.247 0.000 2.628 733 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.217 733 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.217 733 G C 1.582 176.453 174.900 -0.049 0.000 1.240 733 G CA 1.519 46.551 45.100 -0.114 0.000 0.792 733 G HN 0.844 nan 8.290 nan 0.000 0.593 734 V N 0.126 120.008 119.914 -0.053 0.000 3.535 734 V HA 0.293 4.412 4.120 -0.001 0.000 0.276 734 V C 0.935 177.059 176.094 0.051 0.000 1.227 734 V CA 1.435 63.727 62.300 -0.014 0.000 1.209 734 V CB -0.605 31.207 31.823 -0.019 0.000 0.969 734 V HN 0.414 nan 8.190 nan 0.000 0.469 735 F N -0.518 119.347 119.950 -0.143 0.000 3.064 735 F HA 0.153 4.680 4.527 -0.001 0.000 0.384 735 F C 1.691 177.415 175.800 -0.125 0.000 1.083 735 F CA 0.850 58.769 58.000 -0.136 0.000 1.037 735 F CB 0.215 39.111 39.000 -0.172 0.000 1.322 735 F HN 0.201 nan 8.300 nan 0.000 0.535 736 T N -1.190 113.382 114.554 0.032 0.000 3.044 736 T HA 0.263 4.613 4.350 -0.001 0.000 0.250 736 T C 0.111 174.762 174.700 -0.082 0.000 1.081 736 T CA 0.305 62.400 62.100 -0.008 0.000 1.040 736 T CB -0.312 68.568 68.868 0.020 0.000 0.962 736 T HN 0.342 nan 8.240 nan 0.000 0.506 737 N N 0.137 118.779 118.700 -0.095 0.000 2.905 737 N HA 0.475 5.214 4.740 -0.001 0.000 0.255 737 N C -0.555 174.898 175.510 -0.095 0.000 1.199 737 N CA -0.600 52.389 53.050 -0.101 0.000 0.911 737 N CB 1.280 39.726 38.487 -0.068 0.000 1.550 737 N HN 0.402 nan 8.380 nan 0.000 0.599 738 G N 0.041 108.766 108.800 -0.124 0.000 2.325 738 G HA2 0.527 4.487 3.960 -0.001 0.000 0.295 738 G HA3 0.527 4.487 3.960 -0.001 0.000 0.295 738 G C -1.139 173.693 174.900 -0.113 0.000 1.274 738 G CA -0.262 44.776 45.100 -0.104 0.000 0.857 738 G HN 0.550 nan 8.290 nan 0.000 0.499 739 G N 1.124 109.870 108.800 -0.089 0.000 2.358 739 G HA2 0.510 4.470 3.960 -0.001 0.000 0.273 739 G HA3 0.510 4.470 3.960 -0.001 0.000 0.273 739 G C -0.354 174.489 174.900 -0.094 0.000 1.215 739 G CA -0.183 44.869 45.100 -0.081 0.000 0.910 739 G HN 0.420 nan 8.290 nan 0.000 0.467 740 P HA -0.087 nan 4.420 nan 0.000 0.216 740 P C -1.574 175.681 177.300 -0.075 0.000 1.167 740 P CA 1.192 64.228 63.100 -0.107 0.000 0.914 740 P CB -1.159 30.487 31.700 -0.090 0.000 0.793 741 P HA 0.080 nan 4.420 nan 0.000 0.276 741 P C 0.418 177.707 177.300 -0.018 0.000 1.244 741 P CA 0.289 63.373 63.100 -0.028 0.000 0.801 741 P CB 0.756 32.443 31.700 -0.021 0.000 1.006 742 E N -1.509 118.691 120.200 0.001 0.000 4.174 742 E HA -0.184 4.165 4.350 -0.001 0.000 0.374 742 E C 1.327 177.944 176.600 0.030 0.000 0.582 742 E CA 1.995 58.404 56.400 0.015 0.000 1.359 742 E CB -2.734 26.970 29.700 0.007 0.000 1.820 742 E HN 0.756 nan 8.360 nan 0.000 0.388 743 T N -1.001 113.563 114.554 0.017 0.000 2.849 743 T HA -0.227 4.122 4.350 -0.001 0.000 0.270 743 T C 1.781 176.561 174.700 0.134 0.000 1.066 743 T CA 1.913 64.049 62.100 0.059 0.000 1.130 743 T CB -0.117 68.732 68.868 -0.031 0.000 0.864 743 T HN 0.205 nan 8.240 nan 0.000 0.481 744 Q N 1.453 121.308 119.800 0.091 0.000 2.016 744 Q HA -0.029 4.311 4.340 -0.001 0.000 0.200 744 Q C 2.479 178.538 176.000 0.099 0.000 0.978 744 Q CA 1.575 57.430 55.803 0.087 0.000 0.833 744 Q CB -0.301 28.468 28.738 0.053 0.000 0.895 744 Q HN 0.465 nan 8.270 nan 0.000 0.427 745 R N -0.176 120.376 120.500 0.086 0.000 2.075 745 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 745 R C 2.163 178.523 176.300 0.100 0.000 1.126 745 R CA 1.767 57.924 56.100 0.096 0.000 0.963 745 R CB -0.355 29.986 30.300 0.069 0.000 0.858 745 R HN 0.332 nan 8.270 nan 0.000 0.435 746 Q N 0.515 120.364 119.800 0.082 0.000 2.030 746 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 746 Q C 1.663 177.713 176.000 0.083 0.000 0.986 746 Q CA 1.491 57.337 55.803 0.070 0.000 0.843 746 Q CB -0.726 28.049 28.738 0.063 0.000 0.904 746 Q HN 0.387 nan 8.270 nan 0.000 0.420 747 N N 0.517 119.282 118.700 0.107 0.000 2.020 747 N HA -0.115 4.625 4.740 -0.001 0.000 0.191 747 N C 1.831 177.460 175.510 0.198 0.000 1.089 747 N CA 1.484 54.582 53.050 0.080 0.000 0.879 747 N CB -0.474 38.043 38.487 0.050 0.000 1.057 747 N HN 0.051 nan 8.380 nan 0.000 0.428 748 S N 1.170 117.024 115.700 0.256 0.000 2.461 748 S HA -0.282 4.188 4.470 -0.001 0.000 0.266 748 S C 1.621 176.506 174.600 0.475 0.000 1.138 748 S CA 1.785 60.278 58.200 0.490 0.000 1.146 748 S CB -0.801 62.612 63.200 0.355 0.000 1.042 748 S HN 0.509 nan 8.310 nan 0.000 0.448 749 N N 1.356 120.199 118.700 0.238 0.000 2.006 749 N HA -0.110 4.630 4.740 -0.001 0.000 0.196 749 N C 1.785 177.356 175.510 0.103 0.000 1.070 749 N CA 1.958 55.089 53.050 0.135 0.000 0.859 749 N CB -0.692 37.844 38.487 0.082 0.000 1.060 749 N HN 0.435 nan 8.380 nan 0.000 0.424 750 L N 0.408 121.679 121.223 0.081 0.000 2.123 750 L HA -0.241 4.099 4.340 -0.001 0.000 0.217 750 L C 2.631 179.567 176.870 0.110 0.000 1.081 750 L CA 2.006 56.873 54.840 0.044 0.000 0.772 750 L CB -0.933 41.106 42.059 -0.033 0.000 0.890 750 L HN 0.324 nan 8.230 nan 0.000 0.437 751 F N 0.371 120.379 119.950 0.095 0.000 2.000 751 F HA -0.324 4.202 4.527 -0.001 0.000 0.296 751 F C 2.881 178.821 175.800 0.233 0.000 1.159 751 F CA 1.970 60.111 58.000 0.234 0.000 1.183 751 F CB -0.885 38.282 39.000 0.279 0.000 0.959 751 F HN -0.020 nan 8.300 nan 0.000 0.490 752 S N 0.694 115.631 115.700 -1.272 0.000 2.372 752 S HA -0.277 4.193 4.470 -0.001 0.000 0.227 752 S C 2.050 176.466 174.600 -0.307 0.000 1.044 752 S CA 1.749 59.346 58.200 -1.004 0.000 1.050 752 S CB -1.014 61.826 63.200 -0.600 0.000 0.901 752 S HN 0.507 nan 8.310 nan 0.000 0.447 753 L N 1.500 122.630 121.223 -0.155 0.000 1.997 753 L HA -0.094 4.246 4.340 -0.001 0.000 0.216 753 L C 2.343 179.216 176.870 0.005 0.000 1.074 753 L CA 1.969 56.778 54.840 -0.052 0.000 0.763 753 L CB -1.095 40.964 42.059 -0.000 0.000 0.890 753 L HN 0.480 nan 8.230 nan 0.000 0.434 754 L N -1.814 119.463 121.223 0.089 0.000 2.013 754 L HA -0.292 4.047 4.340 -0.001 0.000 0.212 754 L C 2.319 179.291 176.870 0.170 0.000 1.073 754 L CA 2.018 56.987 54.840 0.215 0.000 0.753 754 L CB -0.497 41.797 42.059 0.392 0.000 0.890 754 L HN 0.438 nan 8.230 nan 0.000 0.432 755 F N 0.605 120.516 119.950 -0.066 0.000 1.992 755 F HA -0.297 4.230 4.527 -0.001 0.000 0.292 755 F C 2.372 178.134 175.800 -0.062 0.000 1.192 755 F CA 1.635 59.576 58.000 -0.098 0.000 1.157 755 F CB -0.373 38.508 39.000 -0.199 0.000 0.981 755 F HN 0.014 nan 8.300 nan 0.000 0.483 756 L N 1.152 121.840 121.223 -0.893 0.000 2.058 756 L HA -0.317 4.022 4.340 -0.001 0.000 0.226 756 L C 2.002 178.619 176.870 -0.422 0.000 1.089 756 L CA 1.975 56.296 54.840 -0.865 0.000 0.799 756 L CB -1.912 39.882 42.059 -0.441 0.000 0.900 756 L HN 0.329 nan 8.230 nan 0.000 0.442 757 I N -0.552 119.899 120.570 -0.198 0.000 2.040 757 I HA -0.275 3.895 4.170 -0.001 0.000 0.224 757 I C 2.595 178.705 176.117 -0.012 0.000 1.038 757 I CA 1.861 63.129 61.300 -0.054 0.000 1.330 757 I CB -1.129 36.892 38.000 0.035 0.000 1.076 757 I HN 0.442 nan 8.210 nan 0.000 0.388 758 L N 0.622 121.887 121.223 0.069 0.000 1.950 758 L HA -0.241 4.098 4.340 -0.001 0.000 0.233 758 L C 2.518 179.431 176.870 0.072 0.000 1.090 758 L CA 2.666 57.577 54.840 0.118 0.000 0.809 758 L CB -1.253 40.892 42.059 0.143 0.000 0.905 758 L HN 0.473 nan 8.230 nan 0.000 0.439 759 G N -0.264 108.576 108.800 0.067 0.000 2.843 759 G HA2 -0.424 3.536 3.960 -0.001 0.000 0.232 759 G HA3 -0.424 3.536 3.960 -0.001 0.000 0.232 759 G C 1.250 176.175 174.900 0.041 0.000 1.186 759 G CA 1.847 47.000 45.100 0.090 0.000 0.766 759 G HN 0.429 nan 8.290 nan 0.000 0.647 760 I N 1.052 121.557 120.570 -0.108 0.000 2.055 760 I HA -0.070 4.100 4.170 -0.001 0.000 0.228 760 I C 2.818 178.979 176.117 0.073 0.000 1.050 760 I CA 0.765 62.062 61.300 -0.006 0.000 1.326 760 I CB -0.964 36.961 38.000 -0.125 0.000 1.077 760 I HN 0.261 nan 8.210 nan 0.000 0.392 761 I N -0.189 120.403 120.570 0.035 0.000 2.267 761 I HA -0.526 3.644 4.170 -0.001 0.000 0.239 761 I C 2.683 178.884 176.117 0.139 0.000 0.984 761 I CA 2.216 63.564 61.300 0.080 0.000 1.272 761 I CB -0.722 37.330 38.000 0.087 0.000 0.976 761 I HN 0.352 nan 8.210 nan 0.000 0.407 762 S N -0.012 115.786 115.700 0.163 0.000 2.344 762 S HA -0.233 4.236 4.470 -0.001 0.000 0.217 762 S C 1.979 176.732 174.600 0.255 0.000 1.033 762 S CA 1.629 59.960 58.200 0.219 0.000 1.017 762 S CB -0.597 62.694 63.200 0.153 0.000 0.941 762 S HN 0.489 nan 8.310 nan 0.000 0.430 763 F N 1.671 121.615 119.950 -0.010 0.000 2.079 763 F HA -0.277 4.250 4.527 -0.001 0.000 0.296 763 F C 1.894 177.781 175.800 0.146 0.000 1.084 763 F CA 1.614 59.605 58.000 -0.016 0.000 1.236 763 F CB -0.192 38.783 39.000 -0.041 0.000 0.984 763 F HN 0.250 nan 8.300 nan 0.000 0.488 764 I N 0.615 121.231 120.570 0.077 0.000 2.045 764 I HA -0.332 3.837 4.170 -0.001 0.000 0.233 764 I C 2.607 178.847 176.117 0.205 0.000 1.048 764 I CA 2.131 63.447 61.300 0.026 0.000 1.313 764 I CB -1.716 36.308 38.000 0.039 0.000 1.043 764 I HN 0.276 nan 8.210 nan 0.000 0.393 765 T N 0.905 115.597 114.554 0.231 0.000 2.634 765 T HA -0.310 4.039 4.350 -0.001 0.000 0.256 765 T C 1.762 176.655 174.700 0.321 0.000 1.131 765 T CA 2.480 64.732 62.100 0.254 0.000 1.149 765 T CB -0.349 68.681 68.868 0.270 0.000 0.849 765 T HN 0.114 nan 8.240 nan 0.000 0.457 766 F N 0.737 120.790 119.950 0.171 0.000 1.997 766 F HA 0.074 4.601 4.527 -0.001 0.000 0.296 766 F C 2.041 177.982 175.800 0.234 0.000 1.160 766 F CA 1.353 59.493 58.000 0.234 0.000 1.176 766 F CB -1.584 37.591 39.000 0.292 0.000 0.964 766 F HN 0.213 nan 8.300 nan 0.000 0.484 767 F N 1.292 121.427 119.950 0.308 0.000 2.064 767 F HA -0.369 4.158 4.527 -0.001 0.000 0.292 767 F C 2.303 178.159 175.800 0.093 0.000 1.107 767 F CA 2.280 60.347 58.000 0.112 0.000 1.243 767 F CB -1.398 37.542 39.000 -0.100 0.000 0.949 767 F HN 0.047 nan 8.300 nan 0.000 0.506 768 L N 1.302 122.484 121.223 -0.067 0.000 1.955 768 L HA -0.205 4.134 4.340 -0.001 0.000 0.213 768 L C 2.570 179.389 176.870 -0.085 0.000 1.072 768 L CA 3.040 57.774 54.840 -0.177 0.000 0.755 768 L CB -1.980 40.034 42.059 -0.074 0.000 0.888 768 L HN 0.592 nan 8.230 nan 0.000 0.432 769 Q N 0.004 119.822 119.800 0.029 0.000 2.077 769 Q HA -0.173 4.166 4.340 -0.001 0.000 0.206 769 Q C 2.095 178.052 176.000 -0.072 0.000 0.989 769 Q CA 2.148 58.022 55.803 0.118 0.000 0.853 769 Q CB -1.402 27.476 28.738 0.233 0.000 0.907 769 Q HN 0.622 nan 8.270 nan 0.000 0.418 770 G N 0.363 109.046 108.800 -0.196 0.000 2.450 770 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.220 770 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.220 770 G C 1.194 175.735 174.900 -0.598 0.000 1.130 770 G CA 0.644 45.312 45.100 -0.720 0.000 0.760 770 G HN 0.475 nan 8.290 nan 0.000 0.557 771 F N 1.955 121.614 119.950 -0.484 0.000 2.031 771 F HA -0.194 4.332 4.527 -0.001 0.000 0.295 771 F C 3.216 178.724 175.800 -0.486 0.000 1.133 771 F CA 1.953 59.688 58.000 -0.442 0.000 1.188 771 F CB -0.211 38.492 39.000 -0.494 0.000 0.974 771 F HN 0.306 nan 8.300 nan 0.000 0.473 772 T N -0.007 114.298 114.554 -0.416 0.000 2.595 772 T HA -0.323 4.026 4.350 -0.001 0.000 0.264 772 T C 1.753 176.177 174.700 -0.459 0.000 1.058 772 T CA 1.722 63.329 62.100 -0.821 0.000 1.166 772 T CB -1.639 66.724 68.868 -0.841 0.000 0.863 772 T HN 0.466 nan 8.240 nan 0.000 0.415 773 F N 2.742 122.613 119.950 -0.133 0.000 2.161 773 F HA 0.227 4.753 4.527 -0.001 0.000 0.300 773 F C 2.431 178.268 175.800 0.063 0.000 1.089 773 F CA 0.506 58.546 58.000 0.067 0.000 1.282 773 F CB -1.447 37.591 39.000 0.064 0.000 1.010 773 F HN 0.271 nan 8.300 nan 0.000 0.485 774 G N 0.542 109.049 108.800 -0.489 0.000 2.421 774 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.216 774 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.216 774 G C 1.729 176.630 174.900 0.002 0.000 1.171 774 G CA 0.887 45.839 45.100 -0.247 0.000 0.775 774 G HN 0.471 nan 8.290 nan 0.000 0.543 775 K N 0.511 120.912 120.400 0.001 0.000 2.211 775 K HA 0.024 4.344 4.320 -0.001 0.000 0.204 775 K C 2.703 179.426 176.600 0.206 0.000 1.047 775 K CA 1.065 57.410 56.287 0.097 0.000 0.935 775 K CB -0.217 32.321 32.500 0.065 0.000 0.728 775 K HN 0.257 nan 8.250 nan 0.000 0.452 776 A N 0.336 123.346 122.820 0.317 0.000 1.930 776 A HA -0.031 4.288 4.320 -0.001 0.000 0.217 776 A C 2.256 179.980 177.584 0.233 0.000 1.175 776 A CA 1.651 53.908 52.037 0.366 0.000 0.627 776 A CB -0.837 18.493 19.000 0.550 0.000 0.815 776 A HN 0.497 nan 8.150 nan 0.000 0.443 777 G N -0.296 108.624 108.800 0.200 0.000 2.402 777 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.216 777 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.216 777 G C 1.332 176.286 174.900 0.090 0.000 1.162 777 G CA 0.909 46.091 45.100 0.136 0.000 0.777 777 G HN 0.636 nan 8.290 nan 0.000 0.539 778 E N 0.543 120.787 120.200 0.073 0.000 1.995 778 E HA -0.208 4.142 4.350 -0.001 0.000 0.207 778 E C 2.520 179.155 176.600 0.059 0.000 1.016 778 E CA 1.477 57.900 56.400 0.039 0.000 0.865 778 E CB -0.463 29.256 29.700 0.032 0.000 0.797 778 E HN 0.566 nan 8.360 nan 0.000 0.491 779 I N -0.243 120.369 120.570 0.070 0.000 2.093 779 I HA -0.375 3.794 4.170 -0.001 0.000 0.239 779 I C 2.541 178.703 176.117 0.074 0.000 1.026 779 I CA 1.650 62.988 61.300 0.063 0.000 1.295 779 I CB -0.715 37.310 38.000 0.042 0.000 1.007 779 I HN 0.080 nan 8.210 nan 0.000 0.401 780 L N 0.494 121.772 121.223 0.091 0.000 2.010 780 L HA -0.286 4.054 4.340 -0.001 0.000 0.219 780 L C 2.811 179.731 176.870 0.083 0.000 1.077 780 L CA 2.672 57.567 54.840 0.091 0.000 0.773 780 L CB -0.719 41.403 42.059 0.105 0.000 0.892 780 L HN 0.457 nan 8.230 nan 0.000 0.436 781 T N -1.071 113.532 114.554 0.080 0.000 2.746 781 T HA -0.188 4.161 4.350 -0.001 0.000 0.267 781 T C 1.822 176.579 174.700 0.095 0.000 1.039 781 T CA 1.448 63.597 62.100 0.083 0.000 1.142 781 T CB 0.021 68.934 68.868 0.076 0.000 0.866 781 T HN 0.303 nan 8.240 nan 0.000 0.444 782 K N 0.693 121.147 120.400 0.089 0.000 1.975 782 K HA 0.006 4.325 4.320 -0.001 0.000 0.210 782 K C 2.404 179.092 176.600 0.147 0.000 1.041 782 K CA 1.048 57.397 56.287 0.103 0.000 0.942 782 K CB -0.237 32.309 32.500 0.076 0.000 0.729 782 K HN 0.105 nan 8.250 nan 0.000 0.439 783 R N 0.897 121.478 120.500 0.135 0.000 2.276 783 R HA -0.158 4.182 4.340 -0.001 0.000 0.243 783 R C 1.860 178.248 176.300 0.147 0.000 1.161 783 R CA 0.875 57.071 56.100 0.160 0.000 1.007 783 R CB -0.029 30.327 30.300 0.093 0.000 0.867 783 R HN 0.107 nan 8.270 nan 0.000 0.472 784 L N 0.656 121.957 121.223 0.131 0.000 2.071 784 L HA 0.034 4.374 4.340 -0.001 0.000 0.201 784 L C 2.239 179.203 176.870 0.157 0.000 1.076 784 L CA 1.497 56.406 54.840 0.116 0.000 0.755 784 L CB -1.102 41.012 42.059 0.092 0.000 0.915 784 L HN 0.197 nan 8.230 nan 0.000 0.445 785 R N -1.275 119.327 120.500 0.170 0.000 2.119 785 R HA -0.274 4.066 4.340 -0.001 0.000 0.246 785 R C 2.120 178.602 176.300 0.303 0.000 1.146 785 R CA 1.988 58.207 56.100 0.198 0.000 0.962 785 R CB -0.785 29.622 30.300 0.178 0.000 0.863 785 R HN 0.441 nan 8.270 nan 0.000 0.442 786 Y N 1.064 121.439 120.300 0.124 0.000 2.034 786 Y HA -0.338 4.211 4.550 -0.001 0.000 0.269 786 Y C 2.648 178.616 175.900 0.113 0.000 1.125 786 Y CA 1.401 59.566 58.100 0.107 0.000 1.097 786 Y CB -0.189 38.303 38.460 0.053 0.000 0.978 786 Y HN -0.028 nan 8.280 nan 0.000 0.480 787 M N -0.292 119.368 119.600 0.101 0.000 2.270 787 M HA -0.401 4.079 4.480 -0.001 0.000 0.254 787 M C 1.951 178.299 176.300 0.079 0.000 1.072 787 M CA 2.375 57.660 55.300 -0.027 0.000 1.077 787 M CB -1.046 31.547 32.600 -0.013 0.000 1.288 787 M HN 0.306 nan 8.290 nan 0.000 0.424 788 V N -0.330 119.670 119.914 0.143 0.000 2.255 788 V HA -0.311 3.809 4.120 -0.001 0.000 0.247 788 V C 2.038 178.280 176.094 0.248 0.000 1.051 788 V CA 2.278 64.673 62.300 0.158 0.000 1.018 788 V CB -0.880 31.027 31.823 0.141 0.000 0.641 788 V HN 0.436 nan 8.190 nan 0.000 0.445 789 F N 0.907 120.932 119.950 0.125 0.000 2.046 789 F HA -0.253 4.273 4.527 -0.001 0.000 0.297 789 F C 2.636 178.510 175.800 0.124 0.000 1.123 789 F CA 1.558 59.637 58.000 0.132 0.000 1.199 789 F CB -0.021 39.064 39.000 0.142 0.000 0.972 789 F HN 0.036 nan 8.300 nan 0.000 0.474 790 K N 0.605 121.234 120.400 0.382 0.000 2.152 790 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 790 K C 2.042 178.736 176.600 0.157 0.000 1.048 790 K CA 1.315 57.712 56.287 0.184 0.000 0.933 790 K CB -0.907 31.620 32.500 0.044 0.000 0.721 790 K HN 0.255 nan 8.250 nan 0.000 0.447 791 S N 1.380 117.161 115.700 0.136 0.000 2.374 791 S HA -0.141 4.328 4.470 -0.001 0.000 0.227 791 S C 2.029 176.676 174.600 0.078 0.000 1.037 791 S CA 1.561 59.798 58.200 0.062 0.000 1.024 791 S CB -0.185 63.042 63.200 0.044 0.000 0.861 791 S HN 0.293 nan 8.310 nan 0.000 0.456 792 M N 0.561 120.286 119.600 0.207 0.000 2.064 792 M HA -0.020 4.459 4.480 -0.001 0.000 0.260 792 M C 2.234 178.745 176.300 0.352 0.000 1.073 792 M CA 1.086 56.568 55.300 0.302 0.000 1.124 792 M CB -0.543 32.267 32.600 0.350 0.000 1.326 792 M HN 0.206 nan 8.290 nan 0.000 0.410 793 L N 0.790 122.254 121.223 0.402 0.000 1.997 793 L HA -0.274 4.065 4.340 -0.001 0.000 0.216 793 L C 2.443 179.409 176.870 0.160 0.000 1.074 793 L CA 2.202 57.234 54.840 0.319 0.000 0.763 793 L CB -0.764 41.429 42.059 0.224 0.000 0.890 793 L HN 0.336 nan 8.230 nan 0.000 0.434 794 R N -1.132 119.420 120.500 0.087 0.000 2.075 794 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 794 R C 1.385 177.654 176.300 -0.051 0.000 1.126 794 R CA 0.262 56.361 56.100 -0.001 0.000 0.963 794 R CB -0.150 30.135 30.300 -0.025 0.000 0.858 794 R HN 0.489 nan 8.270 nan 0.000 0.435 795 Q N 0.628 120.386 119.800 -0.071 0.000 2.967 795 Q HA -0.049 4.291 4.340 -0.001 0.000 0.201 795 Q C -0.221 175.635 176.000 -0.240 0.000 1.148 795 Q CA 1.216 56.885 55.803 -0.224 0.000 1.177 795 Q CB 0.549 29.064 28.738 -0.372 0.000 1.323 795 Q HN 0.372 nan 8.270 nan 0.000 0.676 796 D N -4.048 116.104 120.400 -0.413 0.000 3.779 796 D HA 0.053 4.692 4.640 -0.001 0.000 0.349 796 D C -0.416 175.635 176.300 -0.414 0.000 1.572 796 D CA 0.113 53.773 54.000 -0.567 0.000 0.853 796 D CB -0.407 40.186 40.800 -0.345 0.000 1.381 796 D HN 0.480 nan 8.370 nan 0.000 0.513 797 V N -1.775 117.907 119.914 -0.388 0.000 3.598 797 V HA -0.196 3.924 4.120 -0.001 0.000 0.512 797 V C 1.569 177.488 176.094 -0.292 0.000 0.694 797 V CA 0.635 62.743 62.300 -0.319 0.000 2.207 797 V CB -1.737 29.982 31.823 -0.173 0.000 2.382 797 V HN 0.998 nan 8.190 nan 0.000 0.495 798 S N -0.132 115.479 115.700 -0.148 0.000 2.592 798 S HA -0.187 4.283 4.470 -0.001 0.000 0.256 798 S C 1.084 175.773 174.600 0.148 0.000 0.974 798 S CA 1.840 60.066 58.200 0.043 0.000 0.963 798 S CB -0.607 62.697 63.200 0.174 0.000 0.750 798 S HN 0.674 nan 8.310 nan 0.000 0.538 799 W N 1.163 122.325 121.300 -0.230 0.000 2.233 799 W HA -0.240 4.419 4.660 -0.001 0.000 0.321 799 W C 1.152 177.668 176.519 -0.005 0.000 1.187 799 W CA 1.193 58.435 57.345 -0.173 0.000 1.172 799 W CB -0.290 28.908 29.460 -0.437 0.000 1.186 799 W HN 0.418 nan 8.180 nan 0.000 0.456 800 F N 0.584 120.609 119.950 0.126 0.000 2.664 800 F HA 0.067 4.594 4.527 -0.001 0.000 0.296 800 F C 1.558 177.372 175.800 0.022 0.000 1.125 800 F CA 0.430 58.412 58.000 -0.030 0.000 1.444 800 F CB -1.622 37.352 39.000 -0.043 0.000 1.114 800 F HN -0.129 nan 8.300 nan 0.000 0.576 801 D N -0.176 120.250 120.400 0.043 0.000 2.265 801 D HA -0.133 4.506 4.640 -0.001 0.000 0.208 801 D C 0.044 176.547 176.300 0.338 0.000 0.977 801 D CA 1.617 55.659 54.000 0.071 0.000 0.871 801 D CB -0.032 40.508 40.800 -0.433 0.000 0.925 801 D HN 0.245 nan 8.370 nan 0.000 0.485 802 D N -1.431 119.123 120.400 0.257 0.000 2.668 802 D HA 0.087 4.726 4.640 -0.001 0.000 0.234 802 D C -2.650 173.746 176.300 0.161 0.000 1.349 802 D CA -1.085 53.084 54.000 0.281 0.000 0.889 802 D CB 1.169 42.209 40.800 0.400 0.000 1.520 802 D HN -0.118 nan 8.370 nan 0.000 0.521 803 P HA 0.498 nan 4.420 nan 0.000 0.349 803 P C -0.738 176.542 177.300 -0.035 0.000 1.263 803 P CA -0.276 62.813 63.100 -0.018 0.000 0.783 803 P CB 1.229 32.887 31.700 -0.071 0.000 1.657 804 K N -1.708 118.630 120.400 -0.104 0.000 3.148 804 K HA 0.138 4.457 4.320 -0.001 0.000 0.107 804 K C -0.924 175.588 176.600 -0.146 0.000 0.961 804 K CA -0.232 56.003 56.287 -0.086 0.000 1.018 804 K CB -1.587 30.882 32.500 -0.052 0.000 0.730 804 K HN 0.155 nan 8.250 nan 0.000 0.340 805 N N 2.271 120.839 118.700 -0.220 0.000 2.844 805 N HA 0.039 4.778 4.740 -0.001 0.000 0.268 805 N C -0.439 174.929 175.510 -0.237 0.000 1.574 805 N CA -0.183 52.694 53.050 -0.288 0.000 0.838 805 N CB 1.719 39.873 38.487 -0.556 0.000 1.177 805 N HN 0.331 nan 8.380 nan 0.000 0.495 806 T N -0.417 114.037 114.554 -0.167 0.000 2.856 806 T HA -0.052 4.298 4.350 -0.001 0.000 0.329 806 T C 1.629 176.223 174.700 -0.176 0.000 1.094 806 T CA 0.584 62.595 62.100 -0.148 0.000 1.112 806 T CB 0.588 69.392 68.868 -0.106 0.000 1.009 806 T HN 0.382 nan 8.240 nan 0.000 0.550 807 T N 3.556 118.005 114.554 -0.175 0.000 2.653 807 T HA -0.101 4.249 4.350 -0.001 0.000 0.268 807 T C 2.042 176.647 174.700 -0.158 0.000 1.035 807 T CA 1.912 63.896 62.100 -0.193 0.000 1.154 807 T CB -1.165 67.604 68.868 -0.165 0.000 0.862 807 T HN 0.852 nan 8.240 nan 0.000 0.441 808 G N 1.467 110.195 108.800 -0.121 0.000 2.587 808 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.217 808 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.217 808 G C 1.886 176.720 174.900 -0.109 0.000 1.240 808 G CA 1.393 46.432 45.100 -0.100 0.000 0.794 808 G HN 0.622 nan 8.290 nan 0.000 0.580 809 A N 0.184 122.936 122.820 -0.113 0.000 2.038 809 A HA -0.165 4.155 4.320 -0.001 0.000 0.224 809 A C 2.466 179.979 177.584 -0.119 0.000 1.190 809 A CA 2.061 54.028 52.037 -0.118 0.000 0.668 809 A CB -0.451 18.469 19.000 -0.133 0.000 0.820 809 A HN 0.426 nan 8.150 nan 0.000 0.474 810 L N -1.279 119.860 121.223 -0.139 0.000 2.145 810 L HA -0.078 4.261 4.340 -0.001 0.000 0.201 810 L C 3.044 179.830 176.870 -0.140 0.000 1.075 810 L CA 1.486 56.245 54.840 -0.137 0.000 0.773 810 L CB -0.954 40.993 42.059 -0.186 0.000 0.936 810 L HN 0.636 nan 8.230 nan 0.000 0.451 811 T N -3.113 111.353 114.554 -0.147 0.000 2.684 811 T HA -0.220 4.130 4.350 -0.001 0.000 0.267 811 T C 1.816 176.465 174.700 -0.085 0.000 1.036 811 T CA 1.942 63.967 62.100 -0.124 0.000 1.148 811 T CB -0.827 67.981 68.868 -0.100 0.000 0.863 811 T HN 0.188 nan 8.240 nan 0.000 0.436 812 T N 2.001 116.507 114.554 -0.080 0.000 2.505 812 T HA -0.189 4.161 4.350 -0.001 0.000 0.259 812 T C 2.149 176.816 174.700 -0.054 0.000 1.158 812 T CA 1.716 63.776 62.100 -0.065 0.000 1.190 812 T CB -0.417 68.406 68.868 -0.075 0.000 0.864 812 T HN 0.308 nan 8.240 nan 0.000 0.413 813 R N 0.499 120.962 120.500 -0.063 0.000 2.191 813 R HA -0.156 4.184 4.340 -0.001 0.000 0.248 813 R C 2.409 178.702 176.300 -0.012 0.000 1.127 813 R CA 1.486 57.562 56.100 -0.040 0.000 0.943 813 R CB -1.344 28.942 30.300 -0.024 0.000 0.891 813 R HN 0.350 nan 8.270 nan 0.000 0.439 814 L N -0.157 121.051 121.223 -0.026 0.000 1.941 814 L HA -0.277 4.063 4.340 -0.001 0.000 0.224 814 L C 2.585 179.471 176.870 0.028 0.000 1.081 814 L CA 2.377 57.216 54.840 -0.001 0.000 0.784 814 L CB -1.616 40.417 42.059 -0.044 0.000 0.894 814 L HN 0.280 nan 8.230 nan 0.000 0.436 815 A N 0.966 123.796 122.820 0.017 0.000 1.837 815 A HA -0.315 4.004 4.320 -0.001 0.000 0.216 815 A C 1.901 179.508 177.584 0.038 0.000 1.210 815 A CA 2.446 54.505 52.037 0.037 0.000 0.632 815 A CB -1.299 17.708 19.000 0.011 0.000 0.843 815 A HN 0.726 nan 8.150 nan 0.000 0.448 816 N N 0.360 119.066 118.700 0.010 0.000 2.027 816 N HA -0.269 4.471 4.740 -0.001 0.000 0.200 816 N C 1.113 176.639 175.510 0.028 0.000 1.042 816 N CA 2.473 55.530 53.050 0.011 0.000 0.871 816 N CB -0.823 37.658 38.487 -0.010 0.000 1.063 816 N HN 0.497 nan 8.380 nan 0.000 0.438 817 D N 0.378 120.792 120.400 0.024 0.000 2.116 817 D HA -0.206 4.434 4.640 -0.001 0.000 0.193 817 D C 2.042 178.372 176.300 0.050 0.000 0.998 817 D CA 1.871 55.893 54.000 0.037 0.000 0.836 817 D CB -0.819 40.007 40.800 0.043 0.000 0.951 817 D HN 0.565 nan 8.370 nan 0.000 0.449 818 A N 1.578 124.435 122.820 0.062 0.000 1.873 818 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 818 A C 2.383 180.008 177.584 0.067 0.000 1.193 818 A CA 2.918 54.998 52.037 0.072 0.000 0.629 818 A CB -1.038 18.017 19.000 0.091 0.000 0.826 818 A HN 0.267 nan 8.150 nan 0.000 0.447 819 A N -0.455 122.412 122.820 0.078 0.000 1.859 819 A HA -0.330 3.990 4.320 -0.001 0.000 0.218 819 A C 2.077 179.691 177.584 0.050 0.000 1.242 819 A CA 2.383 54.468 52.037 0.080 0.000 0.661 819 A CB -1.020 18.035 19.000 0.092 0.000 0.842 819 A HN 0.635 nan 8.150 nan 0.000 0.455 820 Q N -0.198 119.624 119.800 0.036 0.000 2.084 820 Q HA -0.300 4.039 4.340 -0.001 0.000 0.215 820 Q C 2.304 178.299 176.000 -0.009 0.000 1.020 820 Q CA 2.724 58.535 55.803 0.014 0.000 0.887 820 Q CB -1.902 26.844 28.738 0.013 0.000 0.975 820 Q HN 1.028 nan 8.270 nan 0.000 0.413 821 V N 0.140 120.053 119.914 -0.002 0.000 2.282 821 V HA -0.321 3.798 4.120 -0.001 0.000 0.249 821 V C 2.530 178.612 176.094 -0.019 0.000 1.057 821 V CA 2.668 64.955 62.300 -0.021 0.000 1.032 821 V CB -1.050 30.774 31.823 0.002 0.000 0.645 821 V HN 0.411 nan 8.190 nan 0.000 0.447 822 K N 1.587 121.997 120.400 0.016 0.000 2.107 822 K HA -0.205 4.114 4.320 -0.001 0.000 0.211 822 K C 2.163 178.764 176.600 0.002 0.000 1.049 822 K CA 2.419 58.725 56.287 0.032 0.000 0.927 822 K CB -1.109 31.424 32.500 0.055 0.000 0.714 822 K HN 0.606 nan 8.250 nan 0.000 0.452 823 G N 0.385 109.177 108.800 -0.014 0.000 2.446 823 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.217 823 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.217 823 G C 1.644 176.505 174.900 -0.064 0.000 1.168 823 G CA 1.042 46.121 45.100 -0.035 0.000 0.771 823 G HN 0.496 nan 8.290 nan 0.000 0.551 824 A N -0.009 122.740 122.820 -0.119 0.000 1.978 824 A HA -0.014 4.306 4.320 -0.001 0.000 0.220 824 A C 2.507 180.029 177.584 -0.104 0.000 1.170 824 A CA 2.484 54.402 52.037 -0.199 0.000 0.636 824 A CB -0.712 18.125 19.000 -0.271 0.000 0.810 824 A HN 0.333 nan 8.150 nan 0.000 0.448 825 T N -0.641 113.857 114.554 -0.094 0.000 2.770 825 T HA 0.062 4.412 4.350 -0.001 0.000 0.258 825 T C 2.052 176.689 174.700 -0.105 0.000 1.039 825 T CA 1.130 63.158 62.100 -0.119 0.000 1.143 825 T CB -0.688 68.122 68.868 -0.098 0.000 0.866 825 T HN 0.547 nan 8.240 nan 0.000 0.428 826 G N 0.883 109.632 108.800 -0.085 0.000 2.485 826 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.221 826 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.221 826 G C 1.826 176.627 174.900 -0.165 0.000 1.115 826 G CA 1.403 46.389 45.100 -0.192 0.000 0.751 826 G HN 0.527 nan 8.290 nan 0.000 0.567 827 S N 0.375 116.041 115.700 -0.057 0.000 2.345 827 S HA -0.102 4.367 4.470 -0.001 0.000 0.220 827 S C 2.530 177.132 174.600 0.003 0.000 1.031 827 S CA 1.074 59.298 58.200 0.041 0.000 0.996 827 S CB -0.234 63.087 63.200 0.202 0.000 0.882 827 S HN 0.315 nan 8.310 nan 0.000 0.445 828 R N 0.902 121.382 120.500 -0.034 0.000 2.170 828 R HA -0.062 4.278 4.340 -0.001 0.000 0.242 828 R C 2.238 178.485 176.300 -0.087 0.000 1.145 828 R CA 1.091 57.128 56.100 -0.105 0.000 0.984 828 R CB -1.310 28.879 30.300 -0.185 0.000 0.869 828 R HN 0.475 nan 8.270 nan 0.000 0.455 829 L N 0.147 121.329 121.223 -0.069 0.000 1.988 829 L HA -0.071 4.268 4.340 -0.001 0.000 0.207 829 L C 2.435 179.343 176.870 0.063 0.000 1.071 829 L CA 1.492 56.319 54.840 -0.021 0.000 0.744 829 L CB -0.651 41.365 42.059 -0.072 0.000 0.893 829 L HN 0.106 nan 8.230 nan 0.000 0.433 830 A N -0.942 121.932 122.820 0.090 0.000 2.259 830 A HA -0.018 4.302 4.320 -0.001 0.000 0.212 830 A C 2.071 179.716 177.584 0.102 0.000 1.178 830 A CA 0.894 53.076 52.037 0.241 0.000 0.734 830 A CB -0.582 18.575 19.000 0.261 0.000 0.774 830 A HN 0.224 nan 8.150 nan 0.000 0.481 831 V N -0.547 119.377 119.914 0.017 0.000 2.339 831 V HA -0.113 4.006 4.120 -0.001 0.000 0.234 831 V C 2.224 178.280 176.094 -0.062 0.000 1.053 831 V CA 1.279 63.537 62.300 -0.071 0.000 1.042 831 V CB -0.687 31.068 31.823 -0.113 0.000 0.678 831 V HN 0.562 nan 8.190 nan 0.000 0.475 832 I N -0.281 120.271 120.570 -0.031 0.000 2.181 832 I HA -0.344 3.825 4.170 -0.001 0.000 0.247 832 I C 2.274 178.407 176.117 0.026 0.000 1.081 832 I CA 2.247 63.539 61.300 -0.013 0.000 1.340 832 I CB -0.262 37.743 38.000 0.008 0.000 1.036 832 I HN 0.476 nan 8.210 nan 0.000 0.417 833 F N 2.117 122.035 119.950 -0.054 0.000 1.982 833 F HA -0.357 4.170 4.527 -0.001 0.000 0.296 833 F C 2.663 178.427 175.800 -0.060 0.000 1.199 833 F CA 2.135 60.105 58.000 -0.049 0.000 1.174 833 F CB -1.415 37.560 39.000 -0.043 0.000 0.963 833 F HN 0.271 nan 8.300 nan 0.000 0.495 834 Q N 0.864 119.831 119.800 -1.389 0.000 2.142 834 Q HA -0.386 3.954 4.340 -0.001 0.000 0.213 834 Q C 1.907 177.561 176.000 -0.577 0.000 1.004 834 Q CA 2.275 57.317 55.803 -1.269 0.000 0.883 834 Q CB -1.273 27.030 28.738 -0.725 0.000 0.939 834 Q HN 0.687 nan 8.270 nan 0.000 0.413 835 N N 1.189 119.680 118.700 -0.349 0.000 2.020 835 N HA -0.244 4.495 4.740 -0.001 0.000 0.199 835 N C 1.614 177.007 175.510 -0.195 0.000 1.059 835 N CA 2.590 55.511 53.050 -0.215 0.000 0.877 835 N CB -0.461 37.941 38.487 -0.141 0.000 1.078 835 N HN 0.342 nan 8.380 nan 0.000 0.452 836 I N 0.991 121.476 120.570 -0.141 0.000 2.074 836 I HA -0.338 3.831 4.170 -0.001 0.000 0.238 836 I C 2.390 178.414 176.117 -0.155 0.000 1.037 836 I CA 1.649 62.881 61.300 -0.113 0.000 1.301 836 I CB -2.088 35.882 38.000 -0.051 0.000 1.016 836 I HN 0.440 nan 8.210 nan 0.000 0.400 837 A N 1.164 123.894 122.820 -0.151 0.000 2.292 837 A HA -0.410 3.909 4.320 -0.001 0.000 0.215 837 A C 2.152 179.544 177.584 -0.320 0.000 1.339 837 A CA 2.953 54.888 52.037 -0.170 0.000 0.895 837 A CB -1.738 17.159 19.000 -0.173 0.000 0.795 837 A HN 0.643 nan 8.150 nan 0.000 0.529 838 N N -1.184 117.303 118.700 -0.356 0.000 2.053 838 N HA -0.247 4.493 4.740 -0.001 0.000 0.200 838 N C 1.688 176.928 175.510 -0.452 0.000 1.041 838 N CA 2.111 54.902 53.050 -0.433 0.000 0.882 838 N CB -0.299 38.043 38.487 -0.242 0.000 1.080 838 N HN 0.406 nan 8.380 nan 0.000 0.481 839 L N 0.611 121.666 121.223 -0.280 0.000 1.899 839 L HA 0.063 4.403 4.340 -0.001 0.000 0.220 839 L C 2.415 179.140 176.870 -0.241 0.000 1.091 839 L CA 2.324 57.029 54.840 -0.226 0.000 0.781 839 L CB -1.549 40.417 42.059 -0.154 0.000 0.886 839 L HN 0.463 nan 8.230 nan 0.000 0.430 840 G N -1.313 107.378 108.800 -0.182 0.000 2.867 840 G HA2 -0.467 3.492 3.960 -0.001 0.000 0.244 840 G HA3 -0.467 3.492 3.960 -0.001 0.000 0.244 840 G C 1.385 176.184 174.900 -0.170 0.000 1.151 840 G CA 2.232 47.243 45.100 -0.149 0.000 0.750 840 G HN 0.532 nan 8.290 nan 0.000 0.652 841 T N 0.863 115.292 114.554 -0.208 0.000 2.746 841 T HA 0.014 4.364 4.350 -0.001 0.000 0.267 841 T C 2.462 177.012 174.700 -0.251 0.000 1.039 841 T CA 1.723 63.705 62.100 -0.196 0.000 1.142 841 T CB -0.693 68.058 68.868 -0.194 0.000 0.866 841 T HN 0.515 nan 8.240 nan 0.000 0.444 842 G N 1.088 109.606 108.800 -0.470 0.000 2.418 842 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.217 842 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.217 842 G C 1.558 176.322 174.900 -0.226 0.000 1.158 842 G CA 0.304 45.183 45.100 -0.368 0.000 0.771 842 G HN 0.455 nan 8.290 nan 0.000 0.545 843 I N 0.680 121.109 120.570 -0.236 0.000 2.179 843 I HA -0.168 4.002 4.170 -0.001 0.000 0.242 843 I C 2.569 178.558 176.117 -0.213 0.000 1.088 843 I CA 0.638 61.799 61.300 -0.231 0.000 1.357 843 I CB -0.063 37.832 38.000 -0.175 0.000 1.051 843 I HN 0.070 nan 8.210 nan 0.000 0.409 844 I N 0.895 121.378 120.570 -0.146 0.000 2.091 844 I HA -0.319 3.851 4.170 -0.001 0.000 0.239 844 I C 2.400 178.462 176.117 -0.091 0.000 1.061 844 I CA 1.734 62.979 61.300 -0.092 0.000 1.317 844 I CB -1.434 36.535 38.000 -0.053 0.000 1.031 844 I HN 0.188 nan 8.210 nan 0.000 0.401 845 I N 0.673 121.197 120.570 -0.076 0.000 2.850 845 I HA -0.152 4.017 4.170 -0.001 0.000 0.266 845 I C 2.331 178.301 176.117 -0.245 0.000 1.257 845 I CA 0.901 62.191 61.300 -0.017 0.000 1.465 845 I CB -1.586 36.491 38.000 0.129 0.000 1.091 845 I HN 0.163 nan 8.210 nan 0.000 0.467 846 S N 0.553 115.958 115.700 -0.491 0.000 2.470 846 S HA 0.027 4.496 4.470 -0.001 0.000 0.225 846 S C 1.893 176.256 174.600 -0.396 0.000 1.006 846 S CA 0.338 58.050 58.200 -0.815 0.000 0.934 846 S CB 0.082 62.917 63.200 -0.608 0.000 0.778 846 S HN 0.244 nan 8.310 nan 0.000 0.517 847 L N 1.534 122.623 121.223 -0.223 0.000 2.007 847 L HA 0.048 4.387 4.340 -0.001 0.000 0.205 847 L C 2.149 179.040 176.870 0.035 0.000 1.073 847 L CA 1.244 56.021 54.840 -0.105 0.000 0.744 847 L CB -0.799 41.248 42.059 -0.021 0.000 0.898 847 L HN 0.375 nan 8.230 nan 0.000 0.435 848 I N -1.789 118.834 120.570 0.088 0.000 2.623 848 I HA -0.269 3.900 4.170 -0.001 0.000 0.261 848 I C 0.664 176.938 176.117 0.262 0.000 1.204 848 I CA 0.926 62.331 61.300 0.175 0.000 1.444 848 I CB -0.802 37.301 38.000 0.172 0.000 1.094 848 I HN 0.017 nan 8.210 nan 0.000 0.451 849 Y N 1.172 121.461 120.300 -0.019 0.000 2.425 849 Y HA 0.311 4.860 4.550 -0.001 0.000 0.331 849 Y C 1.494 177.395 175.900 0.002 0.000 1.157 849 Y CA -0.697 57.379 58.100 -0.040 0.000 1.372 849 Y CB 0.859 39.243 38.460 -0.125 0.000 1.253 849 Y HN 0.135 nan 8.280 nan 0.000 0.536 850 G N 4.032 112.976 108.800 0.240 0.000 3.636 850 G HA2 0.127 4.087 3.960 -0.001 0.000 0.260 850 G HA3 0.127 4.087 3.960 -0.001 0.000 0.260 850 G C -1.088 174.086 174.900 0.457 0.000 1.014 850 G CA -0.564 44.773 45.100 0.396 0.000 1.797 850 G HN 0.839 nan 8.290 nan 0.000 0.637 851 W N 0.401 121.761 121.300 0.100 0.000 7.153 851 W HA -0.179 4.482 4.660 0.002 0.000 0.427 851 W C 0.495 177.024 176.519 0.018 0.000 1.773 851 W CA 0.406 57.795 57.345 0.072 0.000 1.143 851 W CB -1.799 27.696 29.460 0.058 0.000 2.948 851 W HN 0.559 nan 8.180 nan 0.000 1.494 852 Q N -1.094 118.784 119.800 0.130 0.000 1.720 852 Q HA 0.145 4.484 4.340 -0.001 0.000 0.164 852 Q C 0.745 176.662 176.000 -0.138 0.000 0.781 852 Q CA -0.191 55.566 55.803 -0.078 0.000 0.818 852 Q CB -0.004 28.551 28.738 -0.304 0.000 1.228 852 Q HN 0.431 nan 8.270 nan 0.000 0.376 853 L N -0.544 120.688 121.223 0.015 0.000 2.376 853 L HA 0.125 4.464 4.340 -0.001 0.000 0.153 853 L C 1.810 178.743 176.870 0.104 0.000 1.272 853 L CA 1.849 56.681 54.840 -0.014 0.000 1.005 853 L CB -0.946 40.987 42.059 -0.210 0.000 2.027 853 L HN 0.015 nan 8.230 nan 0.000 0.495 854 T N 2.067 116.747 114.554 0.209 0.000 2.578 854 T HA -0.330 4.019 4.350 -0.001 0.000 0.252 854 T C 1.699 176.466 174.700 0.111 0.000 1.192 854 T CA 2.806 65.060 62.100 0.257 0.000 1.143 854 T CB -0.870 68.052 68.868 0.090 0.000 0.848 854 T HN 0.278 nan 8.240 nan 0.000 0.450 855 L N 0.844 122.135 121.223 0.114 0.000 2.072 855 L HA 0.173 4.512 4.340 -0.001 0.000 0.205 855 L C 2.274 179.223 176.870 0.131 0.000 1.079 855 L CA 1.353 56.261 54.840 0.113 0.000 0.752 855 L CB -0.913 41.243 42.059 0.162 0.000 0.906 855 L HN 0.213 nan 8.230 nan 0.000 0.436 856 L N -0.625 120.717 121.223 0.199 0.000 2.103 856 L HA -0.248 4.092 4.340 -0.001 0.000 0.215 856 L C 2.210 179.137 176.870 0.095 0.000 1.080 856 L CA 2.419 57.397 54.840 0.230 0.000 0.764 856 L CB -0.631 41.623 42.059 0.325 0.000 0.890 856 L HN 0.522 nan 8.230 nan 0.000 0.435 857 L N -1.811 119.454 121.223 0.069 0.000 2.265 857 L HA -0.012 4.327 4.340 -0.001 0.000 0.195 857 L C 2.352 179.238 176.870 0.026 0.000 1.083 857 L CA 0.988 55.846 54.840 0.029 0.000 0.798 857 L CB -0.352 41.719 42.059 0.020 0.000 0.989 857 L HN 0.351 nan 8.230 nan 0.000 0.472 858 L N 0.401 121.646 121.223 0.037 0.000 2.211 858 L HA -0.186 4.153 4.340 -0.001 0.000 0.216 858 L C 2.446 179.324 176.870 0.012 0.000 1.092 858 L CA 2.096 56.949 54.840 0.022 0.000 0.767 858 L CB -2.025 40.041 42.059 0.012 0.000 0.894 858 L HN 0.229 nan 8.230 nan 0.000 0.437 859 A N 0.479 123.305 122.820 0.011 0.000 1.855 859 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 859 A C 2.242 179.820 177.584 -0.009 0.000 1.191 859 A CA 1.858 53.893 52.037 -0.004 0.000 0.613 859 A CB -0.636 18.355 19.000 -0.015 0.000 0.829 859 A HN 0.397 nan 8.150 nan 0.000 0.442 860 I N 0.068 120.634 120.570 -0.007 0.000 2.099 860 I HA -0.211 3.958 4.170 -0.001 0.000 0.239 860 I C 2.585 178.707 176.117 0.009 0.000 1.066 860 I CA 1.333 62.630 61.300 -0.005 0.000 1.324 860 I CB -1.639 36.360 38.000 -0.002 0.000 1.037 860 I HN 0.136 nan 8.210 nan 0.000 0.401 861 V N 1.865 121.786 119.914 0.012 0.000 2.231 861 V HA -0.234 3.885 4.120 -0.001 0.000 0.250 861 V C 0.049 176.155 176.094 0.019 0.000 1.058 861 V CA 2.542 64.854 62.300 0.019 0.000 1.022 861 V CB -2.054 29.782 31.823 0.021 0.000 0.640 861 V HN 0.235 nan 8.190 nan 0.000 0.445 862 P HA -0.172 nan 4.420 nan 0.000 0.216 862 P C 1.677 178.986 177.300 0.016 0.000 1.157 862 P CA 1.644 64.750 63.100 0.010 0.000 0.880 862 P CB -0.099 31.603 31.700 0.003 0.000 0.791 863 I N -0.747 119.831 120.570 0.013 0.000 2.142 863 I HA -0.213 3.956 4.170 -0.001 0.000 0.240 863 I C 2.321 178.468 176.117 0.050 0.000 1.078 863 I CA 1.375 62.688 61.300 0.022 0.000 1.343 863 I CB -1.288 36.711 38.000 -0.003 0.000 1.046 863 I HN -0.060 nan 8.210 nan 0.000 0.405 864 I N -1.208 119.392 120.570 0.050 0.000 2.252 864 I HA -0.177 3.992 4.170 -0.001 0.000 0.245 864 I C 2.567 178.730 176.117 0.077 0.000 1.102 864 I CA 1.488 62.837 61.300 0.081 0.000 1.385 864 I CB -1.085 36.967 38.000 0.087 0.000 1.064 864 I HN 0.092 nan 8.210 nan 0.000 0.414 865 A N 2.492 125.344 122.820 0.053 0.000 1.851 865 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 865 A C 2.378 179.987 177.584 0.042 0.000 1.195 865 A CA 2.194 54.256 52.037 0.042 0.000 0.622 865 A CB -1.165 17.850 19.000 0.025 0.000 0.831 865 A HN 0.515 nan 8.150 nan 0.000 0.444 866 I N -0.225 120.367 120.570 0.036 0.000 2.290 866 I HA -0.391 3.778 4.170 -0.001 0.000 0.253 866 I C 2.880 179.022 176.117 0.041 0.000 1.112 866 I CA 1.128 62.447 61.300 0.031 0.000 1.377 866 I CB -0.354 37.663 38.000 0.028 0.000 1.060 866 I HN 0.436 nan 8.210 nan 0.000 0.428 867 A N 0.876 123.741 122.820 0.075 0.000 1.832 867 A HA -0.103 4.216 4.320 -0.001 0.000 0.214 867 A C 2.501 180.124 177.584 0.065 0.000 1.200 867 A CA 1.759 53.855 52.037 0.097 0.000 0.610 867 A CB -1.579 17.532 19.000 0.183 0.000 0.842 867 A HN 0.422 nan 8.150 nan 0.000 0.444 868 G N -0.319 108.525 108.800 0.073 0.000 2.759 868 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.224 868 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.224 868 G C 1.560 176.477 174.900 0.028 0.000 1.173 868 G CA 1.976 47.109 45.100 0.056 0.000 0.770 868 G HN 0.392 nan 8.290 nan 0.000 0.626 869 V N 0.077 120.003 119.914 0.020 0.000 2.216 869 V HA -0.186 3.933 4.120 -0.001 0.000 0.242 869 V C 2.809 178.895 176.094 -0.012 0.000 1.042 869 V CA 1.782 64.085 62.300 0.005 0.000 0.991 869 V CB -0.844 30.982 31.823 0.005 0.000 0.633 869 V HN 0.287 nan 8.190 nan 0.000 0.449 870 V N 0.170 120.072 119.914 -0.020 0.000 2.277 870 V HA -0.374 3.746 4.120 -0.001 0.000 0.253 870 V C 2.522 178.571 176.094 -0.076 0.000 1.067 870 V CA 2.957 65.227 62.300 -0.050 0.000 1.047 870 V CB -0.488 31.297 31.823 -0.064 0.000 0.649 870 V HN 0.817 nan 8.190 nan 0.000 0.447 871 E N -0.527 119.634 120.200 -0.065 0.000 2.012 871 E HA -0.305 4.045 4.350 -0.001 0.000 0.197 871 E C 2.320 178.856 176.600 -0.106 0.000 1.007 871 E CA 2.303 58.649 56.400 -0.091 0.000 0.816 871 E CB -0.493 29.187 29.700 -0.032 0.000 0.762 871 E HN 0.612 nan 8.360 nan 0.000 0.451 872 M N 1.274 120.838 119.600 -0.061 0.000 2.108 872 M HA -0.248 4.232 4.480 -0.001 0.000 0.257 872 M C 2.121 178.385 176.300 -0.059 0.000 1.071 872 M CA 2.157 57.425 55.300 -0.053 0.000 1.093 872 M CB -0.655 31.937 32.600 -0.013 0.000 1.345 872 M HN -0.009 nan 8.290 nan 0.000 0.403 873 K N 0.801 121.170 120.400 -0.052 0.000 1.987 873 K HA -0.218 4.102 4.320 -0.001 0.000 0.216 873 K C 1.993 178.553 176.600 -0.067 0.000 1.051 873 K CA 2.555 58.816 56.287 -0.044 0.000 0.942 873 K CB -0.933 31.544 32.500 -0.039 0.000 0.722 873 K HN 0.353 nan 8.250 nan 0.000 0.444 874 M N 0.661 120.200 119.600 -0.102 0.000 2.149 874 M HA -0.069 4.411 4.480 -0.001 0.000 0.261 874 M C 1.992 178.191 176.300 -0.168 0.000 1.064 874 M CA 1.451 56.675 55.300 -0.127 0.000 1.102 874 M CB -0.474 32.030 32.600 -0.160 0.000 1.369 874 M HN 0.405 nan 8.290 nan 0.000 0.408 875 L N -1.103 119.974 121.223 -0.244 0.000 2.079 875 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 875 L C 2.035 178.872 176.870 -0.054 0.000 1.081 875 L CA 1.840 56.490 54.840 -0.316 0.000 0.752 875 L CB -0.413 41.466 42.059 -0.299 0.000 0.896 875 L HN 0.316 nan 8.230 nan 0.000 0.433 876 S N -0.003 115.679 115.700 -0.029 0.000 2.345 876 S HA -0.086 4.383 4.470 -0.001 0.000 0.220 876 S C 1.895 176.512 174.600 0.028 0.000 1.031 876 S CA 0.988 59.200 58.200 0.021 0.000 0.996 876 S CB -0.930 62.279 63.200 0.015 0.000 0.882 876 S HN 0.715 nan 8.310 nan 0.000 0.445 877 G N 2.099 110.901 108.800 0.004 0.000 2.529 877 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.219 877 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.219 877 G C 1.375 176.295 174.900 0.034 0.000 1.177 877 G CA 1.025 46.131 45.100 0.011 0.000 0.773 877 G HN 0.369 nan 8.290 nan 0.000 0.573 878 Q N 0.442 120.272 119.800 0.050 0.000 2.084 878 Q HA -0.083 4.256 4.340 -0.001 0.000 0.202 878 Q C 3.058 179.124 176.000 0.110 0.000 0.978 878 Q CA 1.501 57.365 55.803 0.102 0.000 0.844 878 Q CB -0.801 28.063 28.738 0.209 0.000 0.898 878 Q HN 0.467 nan 8.270 nan 0.000 0.426 879 A N 1.150 124.047 122.820 0.130 0.000 1.873 879 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 879 A C 2.163 179.789 177.584 0.071 0.000 1.193 879 A CA 1.687 53.787 52.037 0.105 0.000 0.629 879 A CB -0.834 18.235 19.000 0.114 0.000 0.826 879 A HN 0.335 nan 8.150 nan 0.000 0.447 880 L N 0.815 122.073 121.223 0.060 0.000 1.994 880 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 880 L C 2.559 179.454 176.870 0.041 0.000 1.071 880 L CA 2.934 57.803 54.840 0.047 0.000 0.745 880 L CB -0.786 41.297 42.059 0.039 0.000 0.892 880 L HN 0.608 nan 8.230 nan 0.000 0.431 881 K N -1.198 119.225 120.400 0.038 0.000 2.059 881 K HA -0.272 4.047 4.320 -0.001 0.000 0.212 881 K C 1.830 178.451 176.600 0.035 0.000 1.050 881 K CA 2.186 58.492 56.287 0.032 0.000 0.927 881 K CB -0.960 31.557 32.500 0.029 0.000 0.714 881 K HN 0.301 nan 8.250 nan 0.000 0.447 882 D N 0.672 121.098 120.400 0.042 0.000 2.104 882 D HA -0.105 4.534 4.640 -0.001 0.000 0.194 882 D C 1.714 178.038 176.300 0.041 0.000 0.994 882 D CA 1.150 55.175 54.000 0.042 0.000 0.830 882 D CB 0.092 40.919 40.800 0.045 0.000 0.959 882 D HN 0.136 nan 8.370 nan 0.000 0.452 883 K N 0.750 121.175 120.400 0.043 0.000 2.228 883 K HA -0.158 4.161 4.320 -0.001 0.000 0.205 883 K C 1.834 178.452 176.600 0.030 0.000 1.045 883 K CA 0.855 57.166 56.287 0.040 0.000 0.931 883 K CB -0.161 32.364 32.500 0.042 0.000 0.727 883 K HN 0.224 nan 8.250 nan 0.000 0.458 884 K N 1.327 121.743 120.400 0.027 0.000 1.975 884 K HA -0.080 4.239 4.320 -0.001 0.000 0.210 884 K C 2.178 178.786 176.600 0.014 0.000 1.041 884 K CA 1.166 57.464 56.287 0.018 0.000 0.942 884 K CB -0.462 32.048 32.500 0.018 0.000 0.729 884 K HN 0.259 nan 8.250 nan 0.000 0.439 885 E N 1.399 121.610 120.200 0.019 0.000 2.068 885 E HA -0.245 4.105 4.350 -0.001 0.000 0.207 885 E C 2.001 178.608 176.600 0.013 0.000 1.032 885 E CA 2.041 58.452 56.400 0.018 0.000 0.839 885 E CB -0.623 29.095 29.700 0.031 0.000 0.758 885 E HN 0.269 nan 8.360 nan 0.000 0.457 886 L N 0.786 122.023 121.223 0.023 0.000 2.127 886 L HA -0.198 4.142 4.340 -0.001 0.000 0.211 886 L C 2.351 179.225 176.870 0.006 0.000 1.089 886 L CA 2.350 57.203 54.840 0.023 0.000 0.757 886 L CB -1.096 40.985 42.059 0.036 0.000 0.899 886 L HN 0.181 nan 8.230 nan 0.000 0.434 887 E N 0.749 120.950 120.200 0.002 0.000 2.110 887 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 887 E C 2.194 178.768 176.600 -0.043 0.000 0.988 887 E CA 1.257 57.650 56.400 -0.011 0.000 0.804 887 E CB -0.832 28.867 29.700 -0.003 0.000 0.745 887 E HN 0.493 nan 8.360 nan 0.000 0.458 888 G N 0.825 109.597 108.800 -0.047 0.000 2.480 888 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.216 888 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.216 888 G C 1.741 176.541 174.900 -0.167 0.000 1.200 888 G CA 1.146 46.197 45.100 -0.083 0.000 0.782 888 G HN 0.342 nan 8.290 nan 0.000 0.554 889 S N 0.921 116.534 115.700 -0.145 0.000 2.398 889 S HA -0.119 4.351 4.470 -0.001 0.000 0.220 889 S C 2.565 177.016 174.600 -0.248 0.000 1.038 889 S CA 1.516 59.580 58.200 -0.228 0.000 1.080 889 S CB -1.249 61.935 63.200 -0.027 0.000 1.039 889 S HN 0.589 nan 8.310 nan 0.000 0.419 890 G N 1.819 110.597 108.800 -0.037 0.000 2.545 890 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.222 890 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.222 890 G C 1.360 176.192 174.900 -0.113 0.000 1.126 890 G CA 1.361 46.457 45.100 -0.007 0.000 0.754 890 G HN 0.441 nan 8.290 nan 0.000 0.583 891 K N 0.102 120.426 120.400 -0.128 0.000 2.032 891 K HA -0.085 4.234 4.320 -0.001 0.000 0.209 891 K C 2.557 179.062 176.600 -0.159 0.000 1.048 891 K CA 1.610 57.829 56.287 -0.114 0.000 0.927 891 K CB -0.300 32.144 32.500 -0.092 0.000 0.712 891 K HN 0.632 nan 8.250 nan 0.000 0.441 892 I N -2.578 117.807 120.570 -0.308 0.000 2.761 892 I HA -0.018 4.151 4.170 -0.001 0.000 0.261 892 I C 2.115 178.139 176.117 -0.155 0.000 1.198 892 I CA 0.936 62.036 61.300 -0.334 0.000 1.482 892 I CB -0.403 37.219 38.000 -0.630 0.000 1.100 892 I HN -0.102 nan 8.210 nan 0.000 0.445 893 A N 1.515 124.166 122.820 -0.281 0.000 2.066 893 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 893 A C 2.282 179.712 177.584 -0.256 0.000 1.157 893 A CA 1.946 53.829 52.037 -0.257 0.000 0.670 893 A CB -0.897 17.702 19.000 -0.668 0.000 0.804 893 A HN 0.484 nan 8.150 nan 0.000 0.453 894 T N -0.784 113.671 114.554 -0.164 0.000 2.894 894 T HA -0.065 4.284 4.350 -0.001 0.000 0.258 894 T C 1.804 176.474 174.700 -0.050 0.000 1.043 894 T CA 1.019 63.057 62.100 -0.103 0.000 1.141 894 T CB -0.167 68.663 68.868 -0.063 0.000 0.873 894 T HN 0.687 nan 8.240 nan 0.000 0.449 895 E N 1.329 121.509 120.200 -0.034 0.000 2.086 895 E HA -0.286 4.064 4.350 -0.001 0.000 0.205 895 E C 2.262 178.914 176.600 0.086 0.000 1.027 895 E CA 1.611 58.038 56.400 0.045 0.000 0.830 895 E CB -0.239 29.511 29.700 0.083 0.000 0.751 895 E HN 0.471 nan 8.360 nan 0.000 0.456 896 A N 0.946 123.744 122.820 -0.036 0.000 1.832 896 A HA -0.173 4.146 4.320 -0.001 0.000 0.214 896 A C 2.243 179.907 177.584 0.133 0.000 1.200 896 A CA 1.953 54.033 52.037 0.071 0.000 0.610 896 A CB -0.983 17.822 19.000 -0.326 0.000 0.842 896 A HN 0.476 nan 8.150 nan 0.000 0.444 897 I N -1.047 119.475 120.570 -0.080 0.000 2.194 897 I HA -0.254 3.915 4.170 -0.001 0.000 0.246 897 I C 2.018 178.213 176.117 0.130 0.000 1.093 897 I CA 2.547 63.751 61.300 -0.161 0.000 1.355 897 I CB -0.873 36.919 38.000 -0.346 0.000 1.046 897 I HN 0.523 nan 8.210 nan 0.000 0.413 898 E N 0.619 120.881 120.200 0.104 0.000 2.338 898 E HA -0.191 4.159 4.350 -0.001 0.000 0.197 898 E C 0.686 177.419 176.600 0.221 0.000 1.007 898 E CA 0.733 57.230 56.400 0.162 0.000 0.849 898 E CB -0.101 29.648 29.700 0.082 0.000 0.774 898 E HN 0.605 nan 8.360 nan 0.000 0.506 899 N N 0.372 119.222 118.700 0.251 0.000 2.401 899 N HA 0.010 4.750 4.740 -0.001 0.000 0.264 899 N C 0.570 176.214 175.510 0.223 0.000 1.238 899 N CA -0.093 53.062 53.050 0.174 0.000 0.889 899 N CB 0.065 38.615 38.487 0.106 0.000 1.196 899 N HN 0.195 nan 8.380 nan 0.000 0.511 900 F N 1.907 122.135 119.950 0.463 0.000 2.114 900 F HA -0.340 4.187 4.527 -0.001 0.000 0.289 900 F C 0.913 176.748 175.800 0.057 0.000 1.022 900 F CA 1.470 59.705 58.000 0.392 0.000 1.324 900 F CB -0.648 38.231 39.000 -0.202 0.000 1.069 900 F HN -0.098 nan 8.300 nan 0.000 0.503 901 R N 0.826 120.850 120.500 -0.794 0.000 2.753 901 R HA 0.045 4.384 4.340 -0.001 0.000 0.213 901 R C 1.776 177.992 176.300 -0.140 0.000 1.591 901 R CA 0.858 56.547 56.100 -0.685 0.000 1.410 901 R CB -1.618 28.304 30.300 -0.629 0.000 0.985 901 R HN 0.724 nan 8.270 nan 0.000 0.496 902 T N -3.526 111.069 114.554 0.070 0.000 3.098 902 T HA 0.021 4.371 4.350 -0.001 0.000 0.246 902 T C 1.533 176.296 174.700 0.106 0.000 0.983 902 T CA 0.324 62.517 62.100 0.155 0.000 1.094 902 T CB -0.294 68.727 68.868 0.256 0.000 1.035 902 T HN 0.031 nan 8.240 nan 0.000 0.456 903 V N 2.381 122.415 119.914 0.200 0.000 2.794 903 V HA -0.051 4.069 4.120 -0.001 0.000 0.260 903 V C 2.467 178.595 176.094 0.057 0.000 1.103 903 V CA 1.958 64.339 62.300 0.134 0.000 1.125 903 V CB -0.797 31.093 31.823 0.111 0.000 0.702 903 V HN 0.503 nan 8.190 nan 0.000 0.494 904 V N 0.635 120.588 119.914 0.065 0.000 2.324 904 V HA -0.249 3.871 4.120 -0.001 0.000 0.250 904 V C 2.312 178.409 176.094 0.005 0.000 1.060 904 V CA 3.223 65.541 62.300 0.030 0.000 1.042 904 V CB -0.194 31.631 31.823 0.003 0.000 0.650 904 V HN 0.833 nan 8.190 nan 0.000 0.450 905 S N -1.324 114.371 115.700 -0.007 0.000 2.539 905 S HA 0.216 4.685 4.470 -0.001 0.000 0.226 905 S C 1.344 175.906 174.600 -0.063 0.000 1.054 905 S CA 0.453 58.631 58.200 -0.036 0.000 0.910 905 S CB 0.469 63.644 63.200 -0.042 0.000 0.818 905 S HN 0.660 nan 8.310 nan 0.000 0.490 906 L N 1.857 123.041 121.223 -0.065 0.000 4.914 906 L HA -0.207 4.133 4.340 -0.001 0.000 0.443 906 L C 0.425 177.202 176.870 -0.156 0.000 1.095 906 L CA 1.324 56.113 54.840 -0.084 0.000 0.975 906 L CB -1.784 40.249 42.059 -0.042 0.000 1.914 906 L HN 0.547 nan 8.230 nan 0.000 0.837 907 T N -2.055 112.387 114.554 -0.186 0.000 4.099 907 T HA 0.395 4.744 4.350 -0.001 0.000 0.223 907 T C 1.060 175.536 174.700 -0.373 0.000 0.968 907 T CA 0.090 62.058 62.100 -0.220 0.000 0.966 907 T CB 0.148 68.916 68.868 -0.166 0.000 1.328 907 T HN 0.670 nan 8.240 nan 0.000 0.783 908 R N -0.719 119.525 120.500 -0.426 0.000 2.535 908 R HA 0.073 4.412 4.340 -0.001 0.000 0.050 908 R C 0.847 176.892 176.300 -0.425 0.000 0.816 908 R CA 0.581 56.297 56.100 -0.639 0.000 2.949 908 R CB -0.670 28.837 30.300 -1.322 0.000 1.256 908 R HN 0.249 nan 8.270 nan 0.000 0.520 909 E N 1.673 121.684 120.200 -0.315 0.000 2.843 909 E HA -0.334 4.015 4.350 -0.001 0.000 0.230 909 E C 1.520 178.086 176.600 -0.057 0.000 0.862 909 E CA 2.956 59.276 56.400 -0.133 0.000 1.153 909 E CB -0.790 28.855 29.700 -0.093 0.000 1.246 909 E HN 0.400 nan 8.360 nan 0.000 0.482 910 Q N 0.352 120.133 119.800 -0.033 0.000 2.002 910 Q HA -0.184 4.155 4.340 -0.001 0.000 0.204 910 Q C 1.889 177.875 176.000 -0.024 0.000 0.988 910 Q CA 2.517 58.330 55.803 0.016 0.000 0.843 910 Q CB -0.457 28.303 28.738 0.036 0.000 0.908 910 Q HN 0.308 nan 8.270 nan 0.000 0.420 911 K N -0.112 120.246 120.400 -0.070 0.000 2.137 911 K HA -0.251 4.069 4.320 -0.001 0.000 0.216 911 K C 1.942 178.504 176.600 -0.062 0.000 1.052 911 K CA 1.922 58.153 56.287 -0.093 0.000 0.939 911 K CB -0.953 31.437 32.500 -0.183 0.000 0.724 911 K HN 0.378 nan 8.250 nan 0.000 0.465 912 F N 1.263 121.019 119.950 -0.322 0.000 1.979 912 F HA -0.193 4.334 4.527 -0.001 0.000 0.295 912 F C 2.555 177.976 175.800 -0.631 0.000 1.222 912 F CA 0.888 58.589 58.000 -0.498 0.000 1.165 912 F CB -0.198 38.524 39.000 -0.463 0.000 0.968 912 F HN 0.128 nan 8.300 nan 0.000 0.493 913 E N -0.023 120.015 120.200 -0.271 0.000 2.301 913 E HA -0.230 4.120 4.350 -0.001 0.000 0.202 913 E C 1.826 178.400 176.600 -0.043 0.000 1.017 913 E CA 1.606 57.854 56.400 -0.253 0.000 0.831 913 E CB -0.751 28.937 29.700 -0.021 0.000 0.742 913 E HN 0.468 nan 8.360 nan 0.000 0.491 914 T N 1.124 115.644 114.554 -0.056 0.000 2.674 914 T HA -0.135 4.214 4.350 -0.001 0.000 0.265 914 T C 2.004 176.731 174.700 0.044 0.000 1.039 914 T CA 1.542 63.648 62.100 0.011 0.000 1.150 914 T CB -0.168 68.698 68.868 -0.003 0.000 0.864 914 T HN 0.188 nan 8.240 nan 0.000 0.427 915 M N 0.249 119.844 119.600 -0.008 0.000 2.144 915 M HA -0.151 4.328 4.480 -0.001 0.000 0.260 915 M C 1.906 178.416 176.300 0.351 0.000 1.067 915 M CA 1.687 57.062 55.300 0.125 0.000 1.095 915 M CB -0.612 32.055 32.600 0.112 0.000 1.365 915 M HN 0.262 nan 8.290 nan 0.000 0.406 916 Y N 0.116 120.455 120.300 0.064 0.000 2.457 916 Y HA 0.140 4.690 4.550 -0.001 0.000 0.292 916 Y C 2.628 178.603 175.900 0.126 0.000 1.125 916 Y CA 0.415 58.590 58.100 0.125 0.000 1.254 916 Y CB -1.556 37.025 38.460 0.201 0.000 1.012 916 Y HN 0.228 nan 8.280 nan 0.000 0.555 917 A N 0.146 123.109 122.820 0.238 0.000 1.969 917 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 917 A C 2.179 179.827 177.584 0.107 0.000 1.169 917 A CA 1.199 53.300 52.037 0.107 0.000 0.635 917 A CB -0.284 18.756 19.000 0.066 0.000 0.810 917 A HN 0.277 nan 8.150 nan 0.000 0.445 918 Q N 0.679 120.560 119.800 0.134 0.000 1.965 918 Q HA -0.135 4.204 4.340 -0.001 0.000 0.200 918 Q C 2.534 178.605 176.000 0.119 0.000 0.981 918 Q CA 1.910 57.783 55.803 0.118 0.000 0.834 918 Q CB -1.257 27.549 28.738 0.112 0.000 0.900 918 Q HN 0.769 nan 8.270 nan 0.000 0.426 919 S N 2.352 118.129 115.700 0.129 0.000 2.401 919 S HA -0.225 4.245 4.470 -0.001 0.000 0.236 919 S C 2.044 176.703 174.600 0.097 0.000 1.058 919 S CA 1.474 59.729 58.200 0.092 0.000 1.151 919 S CB -0.940 62.295 63.200 0.058 0.000 1.049 919 S HN 0.194 nan 8.310 nan 0.000 0.432 920 L N 2.626 123.908 121.223 0.099 0.000 1.987 920 L HA -0.321 4.019 4.340 -0.001 0.000 0.230 920 L C 3.064 180.059 176.870 0.209 0.000 1.089 920 L CA 2.709 57.611 54.840 0.103 0.000 0.802 920 L CB -1.795 40.247 42.059 -0.027 0.000 0.905 920 L HN 0.750 nan 8.230 nan 0.000 0.441 921 Q N -0.620 119.307 119.800 0.213 0.000 2.129 921 Q HA -0.324 4.015 4.340 -0.001 0.000 0.218 921 Q C 2.052 178.182 176.000 0.217 0.000 1.040 921 Q CA 2.885 58.836 55.803 0.247 0.000 0.913 921 Q CB -0.364 28.471 28.738 0.161 0.000 1.030 921 Q HN 0.433 nan 8.270 nan 0.000 0.419 922 I N 1.031 121.686 120.570 0.141 0.000 2.113 922 I HA -0.163 4.006 4.170 -0.001 0.000 0.238 922 I C -0.396 175.783 176.117 0.103 0.000 1.070 922 I CA 1.174 62.532 61.300 0.097 0.000 1.332 922 I CB -2.351 35.689 38.000 0.067 0.000 1.044 922 I HN 0.254 nan 8.210 nan 0.000 0.402 923 P HA -0.188 nan 4.420 nan 0.000 0.226 923 P C 1.713 179.107 177.300 0.156 0.000 1.146 923 P CA 1.255 64.421 63.100 0.109 0.000 0.773 923 P CB -0.222 31.538 31.700 0.100 0.000 0.772 924 Y N 0.272 120.589 120.300 0.029 0.000 2.176 924 Y HA -0.116 4.434 4.550 -0.001 0.000 0.291 924 Y C 2.388 178.234 175.900 -0.090 0.000 1.122 924 Y CA 1.048 59.112 58.100 -0.059 0.000 1.128 924 Y CB -0.007 38.349 38.460 -0.174 0.000 1.005 924 Y HN -0.258 nan 8.280 nan 0.000 0.509 925 R N 0.589 121.001 120.500 -0.145 0.000 2.080 925 R HA -0.247 4.092 4.340 -0.001 0.000 0.236 925 R C 2.214 178.416 176.300 -0.163 0.000 1.137 925 R CA 1.575 57.534 56.100 -0.235 0.000 0.943 925 R CB -0.981 29.255 30.300 -0.107 0.000 0.846 925 R HN 0.504 nan 8.270 nan 0.000 0.431 926 N N 1.208 119.867 118.700 -0.069 0.000 2.137 926 N HA -0.206 4.533 4.740 -0.001 0.000 0.190 926 N C 1.634 177.116 175.510 -0.047 0.000 1.017 926 N CA 1.727 54.752 53.050 -0.041 0.000 0.859 926 N CB 0.006 38.492 38.487 -0.002 0.000 1.002 926 N HN 0.234 nan 8.380 nan 0.000 0.428 927 A N 1.646 124.432 122.820 -0.056 0.000 1.877 927 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 927 A C 2.494 180.021 177.584 -0.095 0.000 1.186 927 A CA 1.597 53.605 52.037 -0.049 0.000 0.620 927 A CB -0.569 18.438 19.000 0.011 0.000 0.822 927 A HN 0.394 nan 8.150 nan 0.000 0.443 928 M N -0.467 119.019 119.600 -0.189 0.000 2.082 928 M HA -0.229 4.251 4.480 -0.001 0.000 0.258 928 M C 2.303 178.563 176.300 -0.067 0.000 1.069 928 M CA 2.281 57.480 55.300 -0.168 0.000 1.102 928 M CB -0.642 31.801 32.600 -0.260 0.000 1.336 928 M HN 0.514 nan 8.290 nan 0.000 0.404 929 K N 1.828 122.189 120.400 -0.066 0.000 1.969 929 K HA -0.236 4.083 4.320 -0.001 0.000 0.216 929 K C 1.960 178.590 176.600 0.050 0.000 1.048 929 K CA 2.390 58.663 56.287 -0.023 0.000 0.948 929 K CB -0.353 32.115 32.500 -0.055 0.000 0.726 929 K HN 0.397 nan 8.250 nan 0.000 0.442 930 K N 0.183 120.608 120.400 0.041 0.000 2.304 930 K HA -0.190 4.130 4.320 -0.001 0.000 0.204 930 K C 1.824 178.514 176.600 0.150 0.000 1.044 930 K CA 1.485 57.843 56.287 0.117 0.000 0.932 930 K CB -0.339 32.215 32.500 0.090 0.000 0.735 930 K HN 0.233 nan 8.250 nan 0.000 0.468 931 A N 2.454 125.300 122.820 0.042 0.000 1.828 931 A HA -0.261 4.058 4.320 -0.001 0.000 0.215 931 A C 2.293 179.974 177.584 0.161 0.000 1.203 931 A CA 1.755 53.793 52.037 0.001 0.000 0.614 931 A CB -1.271 17.722 19.000 -0.013 0.000 0.844 931 A HN 0.638 nan 8.150 nan 0.000 0.445 932 H N 0.545 119.656 119.070 0.069 0.000 2.267 932 H HA -0.178 4.378 4.556 -0.001 0.000 0.291 932 H C 2.050 177.532 175.328 0.255 0.000 1.094 932 H CA 2.527 58.678 56.048 0.172 0.000 1.227 932 H CB -0.836 29.011 29.762 0.141 0.000 1.351 932 H HN 0.146 nan 8.280 nan 0.000 0.483 933 V N 0.885 121.110 119.914 0.518 0.000 2.250 933 V HA -0.316 3.803 4.120 -0.001 0.000 0.253 933 V C 2.730 178.995 176.094 0.285 0.000 1.065 933 V CA 2.330 64.849 62.300 0.365 0.000 1.039 933 V CB -1.183 30.763 31.823 0.205 0.000 0.647 933 V HN 0.236 nan 8.190 nan 0.000 0.446 934 F N 1.296 121.290 119.950 0.072 0.000 2.120 934 F HA -0.128 4.399 4.527 -0.001 0.000 0.300 934 F C 2.310 178.203 175.800 0.155 0.000 1.095 934 F CA 1.642 59.659 58.000 0.029 0.000 1.249 934 F CB -1.308 37.611 39.000 -0.136 0.000 0.995 934 F HN 0.188 nan 8.300 nan 0.000 0.480 935 G N 0.213 109.233 108.800 0.367 0.000 2.604 935 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.216 935 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.216 935 G C 1.806 176.981 174.900 0.458 0.000 1.265 935 G CA 0.884 46.210 45.100 0.378 0.000 0.804 935 G HN 0.433 nan 8.290 nan 0.000 0.579 936 I N 1.398 122.221 120.570 0.422 0.000 2.121 936 I HA -0.334 3.836 4.170 -0.001 0.000 0.243 936 I C 3.032 179.256 176.117 0.177 0.000 1.047 936 I CA 2.987 64.380 61.300 0.155 0.000 1.308 936 I CB -0.663 37.394 38.000 0.096 0.000 1.015 936 I HN 0.439 nan 8.210 nan 0.000 0.410 937 T N -0.169 114.466 114.554 0.135 0.000 2.486 937 T HA -0.375 3.974 4.350 -0.001 0.000 0.257 937 T C 1.851 176.694 174.700 0.239 0.000 1.175 937 T CA 2.008 64.146 62.100 0.064 0.000 1.207 937 T CB -1.655 67.180 68.868 -0.055 0.000 0.864 937 T HN 0.608 nan 8.240 nan 0.000 0.405 938 F N 2.986 122.985 119.950 0.082 0.000 2.053 938 F HA -0.350 4.176 4.527 -0.001 0.000 0.295 938 F C 2.706 178.615 175.800 0.182 0.000 1.102 938 F CA 2.555 60.634 58.000 0.132 0.000 1.225 938 F CB -0.559 38.525 39.000 0.141 0.000 0.961 938 F HN 0.475 nan 8.300 nan 0.000 0.495 939 S N 1.211 116.940 115.700 0.049 0.000 2.414 939 S HA -0.402 4.068 4.470 -0.001 0.000 0.225 939 S C 1.792 176.487 174.600 0.157 0.000 1.041 939 S CA 1.494 59.642 58.200 -0.086 0.000 1.114 939 S CB -1.920 61.288 63.200 0.013 0.000 1.064 939 S HN 0.593 nan 8.310 nan 0.000 0.420 940 F N 3.545 123.534 119.950 0.065 0.000 2.158 940 F HA -0.237 4.289 4.527 -0.001 0.000 0.299 940 F C 2.218 178.097 175.800 0.132 0.000 1.060 940 F CA 2.081 60.142 58.000 0.102 0.000 1.284 940 F CB -1.347 37.693 39.000 0.067 0.000 1.035 940 F HN 0.320 nan 8.300 nan 0.000 0.496 941 T N 0.189 115.054 114.554 0.518 0.000 2.777 941 T HA -0.169 4.180 4.350 -0.001 0.000 0.266 941 T C 1.762 176.632 174.700 0.282 0.000 1.040 941 T CA 1.423 63.773 62.100 0.417 0.000 1.141 941 T CB -0.206 68.904 68.868 0.404 0.000 0.868 941 T HN 0.283 nan 8.240 nan 0.000 0.444 942 Q N 1.094 121.041 119.800 0.245 0.000 2.172 942 Q HA 0.184 4.524 4.340 -0.001 0.000 0.200 942 Q C 2.625 178.744 176.000 0.199 0.000 0.964 942 Q CA 1.248 57.175 55.803 0.205 0.000 0.855 942 Q CB -0.947 27.871 28.738 0.134 0.000 0.918 942 Q HN 0.574 nan 8.270 nan 0.000 0.444 943 A N 1.164 124.102 122.820 0.196 0.000 1.883 943 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 943 A C 2.087 179.783 177.584 0.186 0.000 1.186 943 A CA 1.690 53.892 52.037 0.275 0.000 0.624 943 A CB -0.441 18.762 19.000 0.337 0.000 0.822 943 A HN 0.208 nan 8.150 nan 0.000 0.444 944 M N -0.585 119.105 119.600 0.150 0.000 2.143 944 M HA -0.228 4.251 4.480 -0.001 0.000 0.258 944 M C 2.253 178.630 176.300 0.128 0.000 1.071 944 M CA 2.022 57.382 55.300 0.099 0.000 1.088 944 M CB -1.344 31.279 32.600 0.038 0.000 1.360 944 M HN 0.726 nan 8.290 nan 0.000 0.404 945 M N 0.667 120.362 119.600 0.159 0.000 2.539 945 M HA -0.311 4.169 4.480 -0.001 0.000 0.265 945 M C 2.467 178.867 176.300 0.166 0.000 1.064 945 M CA 2.610 58.014 55.300 0.173 0.000 1.077 945 M CB -1.180 31.505 32.600 0.141 0.000 1.246 945 M HN 0.351 nan 8.290 nan 0.000 0.470 946 Y N -0.282 120.020 120.300 0.003 0.000 2.097 946 Y HA -0.231 4.319 4.550 -0.001 0.000 0.282 946 Y C 1.895 177.810 175.900 0.025 0.000 1.152 946 Y CA 1.849 59.918 58.100 -0.052 0.000 1.136 946 Y CB -1.714 36.641 38.460 -0.176 0.000 0.975 946 Y HN 0.265 nan 8.280 nan 0.000 0.498 947 F N 1.345 120.770 119.950 -0.875 0.000 2.032 947 F HA -0.358 4.169 4.527 -0.001 0.000 0.297 947 F C 2.730 178.402 175.800 -0.214 0.000 1.125 947 F CA 2.113 59.690 58.000 -0.705 0.000 1.202 947 F CB -1.041 37.532 39.000 -0.711 0.000 0.958 947 F HN 0.154 nan 8.300 nan 0.000 0.491 948 S N -0.448 115.333 115.700 0.133 0.000 2.456 948 S HA -0.303 4.166 4.470 -0.001 0.000 0.232 948 S C 1.611 176.364 174.600 0.255 0.000 1.046 948 S CA 1.812 60.114 58.200 0.169 0.000 1.175 948 S CB -1.051 62.284 63.200 0.225 0.000 1.129 948 S HN 0.233 nan 8.310 nan 0.000 0.420 949 Y N 1.929 122.336 120.300 0.179 0.000 1.938 949 Y HA -0.334 4.216 4.550 -0.001 0.000 0.253 949 Y C 2.778 178.906 175.900 0.380 0.000 1.163 949 Y CA 0.992 59.297 58.100 0.341 0.000 1.086 949 Y CB -1.494 37.176 38.460 0.349 0.000 0.928 949 Y HN 0.328 nan 8.280 nan 0.000 0.493 950 A N 0.140 123.201 122.820 0.402 0.000 1.879 950 A HA -0.357 3.963 4.320 -0.001 0.000 0.222 950 A C 2.512 180.192 177.584 0.161 0.000 1.368 950 A CA 3.381 55.525 52.037 0.179 0.000 0.707 950 A CB -1.725 17.231 19.000 -0.073 0.000 0.846 950 A HN 0.630 nan 8.150 nan 0.000 0.468 951 A N -0.781 122.068 122.820 0.048 0.000 1.896 951 A HA -0.046 4.273 4.320 -0.001 0.000 0.220 951 A C 2.591 180.236 177.584 0.103 0.000 1.206 951 A CA 3.522 55.574 52.037 0.025 0.000 0.647 951 A CB -1.491 17.492 19.000 -0.028 0.000 0.828 951 A HN 1.626 nan 8.150 nan 0.000 0.455 952 A N -0.979 121.910 122.820 0.116 0.000 1.849 952 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 952 A C 1.931 179.507 177.584 -0.012 0.000 1.225 952 A CA 1.914 53.978 52.037 0.046 0.000 0.653 952 A CB -1.270 17.708 19.000 -0.036 0.000 0.844 952 A HN 0.559 nan 8.150 nan 0.000 0.453 953 F N -0.517 119.423 119.950 -0.018 0.000 2.147 953 F HA -0.244 4.282 4.527 -0.001 0.000 0.301 953 F C 2.669 178.274 175.800 -0.325 0.000 1.084 953 F CA 1.922 59.824 58.000 -0.164 0.000 1.268 953 F CB -0.279 38.635 39.000 -0.143 0.000 1.009 953 F HN 0.140 nan 8.300 nan 0.000 0.486 954 R N 0.325 120.772 120.500 -0.088 0.000 2.082 954 R HA -0.196 4.144 4.340 -0.001 0.000 0.228 954 R C 2.361 178.761 176.300 0.166 0.000 1.140 954 R CA 1.914 57.983 56.100 -0.051 0.000 0.920 954 R CB -1.486 28.873 30.300 0.099 0.000 0.828 954 R HN 0.351 nan 8.270 nan 0.000 0.430 955 F N 0.579 120.546 119.950 0.028 0.000 2.063 955 F HA -0.293 4.234 4.527 -0.001 0.000 0.298 955 F C 2.171 178.024 175.800 0.089 0.000 1.109 955 F CA 1.662 59.699 58.000 0.062 0.000 1.212 955 F CB -0.610 38.387 39.000 -0.004 0.000 0.973 955 F HN 0.263 nan 8.300 nan 0.000 0.480 956 G N -0.131 108.662 108.800 -0.013 0.000 2.679 956 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.217 956 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.217 956 G C 1.732 176.618 174.900 -0.024 0.000 1.267 956 G CA 1.481 46.488 45.100 -0.156 0.000 0.799 956 G HN 0.648 nan 8.290 nan 0.000 0.606 957 A N -0.122 122.729 122.820 0.051 0.000 2.001 957 A HA -0.216 4.103 4.320 -0.001 0.000 0.224 957 A C 1.436 179.113 177.584 0.155 0.000 1.203 957 A CA 1.574 53.727 52.037 0.193 0.000 0.667 957 A CB -1.128 18.042 19.000 0.283 0.000 0.823 957 A HN 0.943 nan 8.150 nan 0.000 0.473 958 Y N -0.307 120.028 120.300 0.059 0.000 2.792 958 Y HA -0.011 4.538 4.550 -0.002 0.000 0.395 958 Y C 0.472 176.374 175.900 0.003 0.000 1.183 958 Y CA 1.044 59.171 58.100 0.044 0.000 1.600 958 Y CB -0.441 38.006 38.460 -0.022 0.000 1.074 958 Y HN 0.588 nan 8.280 nan 0.000 0.521 959 L N 5.360 126.087 121.223 -0.826 0.000 2.939 959 L HA -0.175 4.165 4.340 -0.001 0.000 0.705 959 L C -0.433 176.225 176.870 -0.354 0.000 1.098 959 L CA 0.520 54.925 54.840 -0.725 0.000 1.347 959 L CB -0.699 40.858 42.059 -0.836 0.000 1.956 959 L HN 0.733 nan 8.230 nan 0.000 0.922 960 V N -0.584 119.136 119.914 -0.323 0.000 2.804 960 V HA 0.277 4.396 4.120 -0.001 0.000 0.360 960 V C 0.880 176.821 176.094 -0.255 0.000 1.282 960 V CA 0.224 62.403 62.300 -0.202 0.000 1.274 960 V CB 0.943 32.709 31.823 -0.095 0.000 1.415 960 V HN 0.539 nan 8.190 nan 0.000 0.610 961 T N 2.911 117.237 114.554 -0.380 0.000 3.185 961 T HA 0.321 4.671 4.350 -0.001 0.000 0.287 961 T C 0.599 175.186 174.700 -0.187 0.000 1.051 961 T CA 1.115 62.995 62.100 -0.367 0.000 1.051 961 T CB -0.129 68.412 68.868 -0.545 0.000 1.034 961 T HN 0.871 nan 8.240 nan 0.000 0.685 962 Q N 2.790 122.516 119.800 -0.124 0.000 2.405 962 Q HA -0.207 4.133 4.340 -0.001 0.000 0.201 962 Q C -0.626 175.316 176.000 -0.096 0.000 0.625 962 Q CA 0.589 56.340 55.803 -0.088 0.000 1.332 962 Q CB -1.312 27.382 28.738 -0.073 0.000 1.199 962 Q HN 0.871 nan 8.270 nan 0.000 0.915 963 Q N -0.606 119.126 119.800 -0.112 0.000 2.205 963 Q HA -0.078 4.262 4.340 -0.001 0.000 0.295 963 Q C -1.152 174.781 176.000 -0.112 0.000 1.133 963 Q CA 0.883 56.618 55.803 -0.114 0.000 0.628 963 Q CB -0.993 27.677 28.738 -0.113 0.000 0.880 963 Q HN 0.439 nan 8.270 nan 0.000 0.329 964 L N 0.866 122.028 121.223 -0.101 0.000 2.260 964 L HA 0.472 4.811 4.340 -0.001 0.000 0.265 964 L C 1.047 177.897 176.870 -0.032 0.000 1.015 964 L CA -0.842 53.951 54.840 -0.079 0.000 0.826 964 L CB 1.363 43.371 42.059 -0.085 0.000 1.373 964 L HN 0.704 nan 8.230 nan 0.000 0.450 965 M N 0.975 120.576 119.600 0.002 0.000 2.768 965 M HA -0.096 4.384 4.480 -0.001 0.000 0.246 965 M C 0.397 176.842 176.300 0.241 0.000 1.047 965 M CA 0.626 55.979 55.300 0.089 0.000 1.057 965 M CB -1.901 30.750 32.600 0.086 0.000 1.352 965 M HN 0.645 nan 8.290 nan 0.000 0.537 966 T N -1.345 113.331 114.554 0.204 0.000 2.821 966 T HA 0.571 4.920 4.350 -0.001 0.000 0.307 966 T C -0.369 174.526 174.700 0.325 0.000 1.034 966 T CA -0.815 61.416 62.100 0.219 0.000 0.953 966 T CB 0.369 69.289 68.868 0.087 0.000 0.968 966 T HN 0.344 nan 8.240 nan 0.000 0.462 967 F N 0.505 120.470 119.950 0.025 0.000 4.183 967 F HA 0.570 5.097 4.527 -0.001 0.000 0.334 967 F C 1.473 177.353 175.800 0.135 0.000 1.111 967 F CA -1.013 56.971 58.000 -0.027 0.000 0.867 967 F CB 0.232 39.175 39.000 -0.095 0.000 1.812 967 F HN 0.349 nan 8.300 nan 0.000 0.515 968 E N 1.786 121.657 120.200 -0.547 0.000 2.086 968 E HA -0.321 4.028 4.350 -0.001 0.000 0.200 968 E C 1.362 177.569 176.600 -0.655 0.000 1.012 968 E CA 2.706 58.840 56.400 -0.443 0.000 0.812 968 E CB -1.110 28.487 29.700 -0.172 0.000 0.743 968 E HN 0.809 nan 8.360 nan 0.000 0.453 969 N N 0.334 118.265 118.700 -1.282 0.000 2.202 969 N HA -0.291 4.449 4.740 -0.001 0.000 0.197 969 N C 1.985 177.211 175.510 -0.474 0.000 0.995 969 N CA 2.602 55.232 53.050 -0.700 0.000 0.894 969 N CB -1.152 36.971 38.487 -0.606 0.000 1.010 969 N HN 0.220 nan 8.380 nan 0.000 0.453 970 V N -1.631 118.032 119.914 -0.418 0.000 2.527 970 V HA -0.211 3.908 4.120 -0.001 0.000 0.255 970 V C 2.174 178.120 176.094 -0.247 0.000 1.081 970 V CA 1.357 63.455 62.300 -0.336 0.000 1.092 970 V CB -0.774 30.889 31.823 -0.267 0.000 0.673 970 V HN 0.311 nan 8.190 nan 0.000 0.470 971 L N -0.892 120.225 121.223 -0.178 0.000 2.141 971 L HA 0.004 4.344 4.340 -0.001 0.000 0.209 971 L C 2.432 179.292 176.870 -0.017 0.000 1.094 971 L CA 1.673 56.480 54.840 -0.055 0.000 0.763 971 L CB -1.037 40.934 42.059 -0.147 0.000 0.908 971 L HN 0.407 nan 8.230 nan 0.000 0.437 972 L N -1.343 119.801 121.223 -0.132 0.000 2.313 972 L HA -0.070 4.270 4.340 -0.001 0.000 0.214 972 L C 2.434 179.196 176.870 -0.180 0.000 1.119 972 L CA 0.745 55.554 54.840 -0.052 0.000 0.809 972 L CB -0.596 41.481 42.059 0.030 0.000 0.933 972 L HN -0.048 nan 8.230 nan 0.000 0.449 973 V N -0.860 118.810 119.914 -0.407 0.000 2.295 973 V HA -0.323 3.796 4.120 -0.001 0.000 0.246 973 V C 2.294 178.271 176.094 -0.196 0.000 1.049 973 V CA 1.867 63.923 62.300 -0.406 0.000 1.024 973 V CB -0.795 30.756 31.823 -0.454 0.000 0.648 973 V HN 0.427 nan 8.190 nan 0.000 0.447 974 F N 1.675 121.476 119.950 -0.249 0.000 2.154 974 F HA -0.227 4.299 4.527 -0.001 0.000 0.301 974 F C 2.498 178.172 175.800 -0.210 0.000 1.087 974 F CA 1.804 59.715 58.000 -0.149 0.000 1.274 974 F CB -0.492 38.531 39.000 0.038 0.000 1.009 974 F HN 0.108 nan 8.300 nan 0.000 0.485 975 S N 0.565 116.294 115.700 0.049 0.000 2.365 975 S HA -0.230 4.239 4.470 -0.001 0.000 0.225 975 S C 2.301 175.928 174.600 -1.621 0.000 1.039 975 S CA 1.376 59.318 58.200 -0.430 0.000 1.033 975 S CB -0.991 62.075 63.200 -0.222 0.000 0.887 975 S HN 0.563 nan 8.310 nan 0.000 0.447 976 A N 0.766 122.983 122.820 -1.005 0.000 2.016 976 A HA 0.124 4.443 4.320 -0.001 0.000 0.217 976 A C 1.993 179.452 177.584 -0.208 0.000 1.162 976 A CA 0.658 52.348 52.037 -0.579 0.000 0.662 976 A CB -0.552 18.550 19.000 0.171 0.000 0.812 976 A HN 0.498 nan 8.150 nan 0.000 0.450 977 I N -1.191 119.195 120.570 -0.308 0.000 2.193 977 I HA -0.146 4.023 4.170 -0.001 0.000 0.240 977 I C 2.269 178.231 176.117 -0.258 0.000 1.084 977 I CA 0.995 62.140 61.300 -0.258 0.000 1.365 977 I CB -0.464 37.303 38.000 -0.388 0.000 1.064 977 I HN 0.157 nan 8.210 nan 0.000 0.410 978 V N 0.929 120.571 119.914 -0.454 0.000 2.720 978 V HA -0.245 3.875 4.120 -0.001 0.000 0.256 978 V C 2.284 178.400 176.094 0.037 0.000 1.082 978 V CA 1.637 63.759 62.300 -0.297 0.000 1.101 978 V CB -0.486 31.090 31.823 -0.412 0.000 0.693 978 V HN 0.178 nan 8.190 nan 0.000 0.479 979 F N 1.319 121.265 119.950 -0.007 0.000 2.060 979 F HA 0.076 4.602 4.527 -0.001 0.000 0.295 979 F C 2.550 178.338 175.800 -0.019 0.000 1.120 979 F CA 1.206 59.214 58.000 0.014 0.000 1.205 979 F CB -1.730 37.274 39.000 0.006 0.000 0.986 979 F HN 0.235 nan 8.300 nan 0.000 0.470 980 G N -0.239 108.671 108.800 0.183 0.000 2.513 980 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.219 980 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.219 980 G C 1.877 176.810 174.900 0.054 0.000 1.160 980 G CA 1.440 46.588 45.100 0.080 0.000 0.767 980 G HN 0.503 nan 8.290 nan 0.000 0.571 981 A N 1.031 123.878 122.820 0.046 0.000 2.019 981 A HA -0.032 4.288 4.320 -0.001 0.000 0.219 981 A C 2.373 179.982 177.584 0.042 0.000 1.164 981 A CA 2.167 54.225 52.037 0.036 0.000 0.644 981 A CB -0.442 18.571 19.000 0.022 0.000 0.805 981 A HN 0.635 nan 8.150 nan 0.000 0.449 982 M N -0.744 118.903 119.600 0.079 0.000 2.077 982 M HA -0.044 4.436 4.480 -0.001 0.000 0.261 982 M C 2.177 178.478 176.300 0.003 0.000 1.070 982 M CA 2.143 57.487 55.300 0.073 0.000 1.125 982 M CB -0.754 31.931 32.600 0.142 0.000 1.339 982 M HN 0.232 nan 8.290 nan 0.000 0.409 983 A N 0.747 123.552 122.820 -0.024 0.000 1.978 983 A HA -0.051 4.269 4.320 -0.001 0.000 0.220 983 A C 2.260 179.816 177.584 -0.046 0.000 1.170 983 A CA 1.876 53.865 52.037 -0.079 0.000 0.636 983 A CB -1.226 17.726 19.000 -0.082 0.000 0.810 983 A HN 0.446 nan 8.150 nan 0.000 0.448 984 V N -0.069 119.836 119.914 -0.015 0.000 2.287 984 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 984 V C 2.838 178.923 176.094 -0.014 0.000 1.053 984 V CA 2.139 64.435 62.300 -0.006 0.000 1.027 984 V CB -1.411 30.419 31.823 0.011 0.000 0.646 984 V HN 0.628 nan 8.190 nan 0.000 0.447 985 G N -1.381 107.406 108.800 -0.021 0.000 2.513 985 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.219 985 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.219 985 G C 1.460 176.344 174.900 -0.026 0.000 1.160 985 G CA 1.272 46.351 45.100 -0.034 0.000 0.767 985 G HN 0.514 nan 8.290 nan 0.000 0.571 986 Q N -0.515 119.265 119.800 -0.033 0.000 2.030 986 Q HA -0.052 4.287 4.340 -0.001 0.000 0.204 986 Q C 2.757 178.758 176.000 0.003 0.000 0.986 986 Q CA 1.605 57.389 55.803 -0.033 0.000 0.843 986 Q CB -0.756 27.933 28.738 -0.082 0.000 0.904 986 Q HN 0.317 nan 8.270 nan 0.000 0.420 987 V N -0.395 119.514 119.914 -0.007 0.000 2.287 987 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 987 V C 1.297 177.412 176.094 0.035 0.000 1.053 987 V CA 2.231 64.538 62.300 0.011 0.000 1.027 987 V CB -0.261 31.562 31.823 -0.000 0.000 0.646 987 V HN 0.310 nan 8.190 nan 0.000 0.447 988 S N 0.328 116.044 115.700 0.026 0.000 2.803 988 S HA 0.278 4.748 4.470 -0.001 0.000 0.228 988 S C 0.307 174.935 174.600 0.047 0.000 0.953 988 S CA 0.198 58.418 58.200 0.034 0.000 0.983 988 S CB -0.188 63.022 63.200 0.016 0.000 0.784 988 S HN 0.666 nan 8.310 nan 0.000 0.498 989 S N -0.214 115.529 115.700 0.072 0.000 2.705 989 S HA 0.742 5.212 4.470 -0.001 0.000 0.280 989 S C -0.652 174.095 174.600 0.245 0.000 1.174 989 S CA -0.723 57.547 58.200 0.117 0.000 0.823 989 S CB 0.973 64.204 63.200 0.051 0.000 1.162 989 S HN 0.172 nan 8.310 nan 0.000 0.487 990 F N 0.540 120.525 119.950 0.057 0.000 2.183 990 F HA -0.236 4.291 4.527 -0.001 0.000 0.318 990 F C 1.108 176.940 175.800 0.052 0.000 0.130 990 F CA 0.510 58.540 58.000 0.050 0.000 0.912 990 F CB -1.523 37.483 39.000 0.010 0.000 4.135 990 F HN 0.945 nan 8.300 nan 0.000 0.137 991 A N 2.672 125.552 122.820 0.101 0.000 2.552 991 A HA 0.332 4.651 4.320 -0.001 0.000 0.241 991 A C -2.067 175.572 177.584 0.091 0.000 1.103 991 A CA 0.241 52.297 52.037 0.031 0.000 0.789 991 A CB -1.252 17.735 19.000 -0.022 0.000 1.050 991 A HN 0.474 nan 8.150 nan 0.000 0.515 992 P HA -0.007 nan 4.420 nan 0.000 0.266 992 P C -0.376 176.990 177.300 0.111 0.000 1.195 992 P CA -0.134 63.013 63.100 0.080 0.000 0.768 992 P CB 0.333 32.066 31.700 0.055 0.000 0.838 993 D N 2.252 122.720 120.400 0.114 0.000 2.907 993 D HA -0.132 4.507 4.640 -0.001 0.000 0.220 993 D C 0.984 177.416 176.300 0.220 0.000 1.098 993 D CA 0.790 54.871 54.000 0.136 0.000 1.286 993 D CB -1.169 39.693 40.800 0.103 0.000 1.188 993 D HN 0.411 nan 8.370 nan 0.000 0.446 994 Y N -0.111 120.206 120.300 0.029 0.000 2.875 994 Y HA -0.464 4.086 4.550 -0.001 0.000 0.467 994 Y C 1.475 177.397 175.900 0.036 0.000 1.183 994 Y CA 2.645 60.759 58.100 0.023 0.000 2.568 994 Y CB -1.173 37.300 38.460 0.022 0.000 1.216 994 Y HN 0.371 nan 8.280 nan 0.000 0.629 995 A N -0.339 122.621 122.820 0.234 0.000 5.483 995 A HA -0.450 3.870 4.320 -0.001 0.000 0.309 995 A C 1.343 178.955 177.584 0.047 0.000 1.898 995 A CA 3.057 55.177 52.037 0.139 0.000 0.716 995 A CB -1.967 17.113 19.000 0.133 0.000 1.309 995 A HN 1.417 nan 8.150 nan 0.000 0.380 996 K N -0.480 119.955 120.400 0.058 0.000 2.265 996 K HA -0.333 3.987 4.320 -0.001 0.000 0.210 996 K C 2.015 178.624 176.600 0.016 0.000 1.036 996 K CA 3.349 59.663 56.287 0.045 0.000 0.934 996 K CB -1.898 30.630 32.500 0.047 0.000 0.765 996 K HN 1.778 nan 8.250 nan 0.000 0.485 997 A N 1.423 124.230 122.820 -0.021 0.000 1.855 997 A HA -0.094 4.225 4.320 -0.001 0.000 0.215 997 A C 2.451 179.953 177.584 -0.136 0.000 1.191 997 A CA 2.284 54.276 52.037 -0.075 0.000 0.613 997 A CB -1.063 17.869 19.000 -0.112 0.000 0.829 997 A HN 0.510 nan 8.150 nan 0.000 0.442 998 T N -0.251 114.157 114.554 -0.244 0.000 2.684 998 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 998 T C 1.849 176.508 174.700 -0.067 0.000 1.036 998 T CA 1.552 63.509 62.100 -0.239 0.000 1.148 998 T CB -0.659 68.071 68.868 -0.229 0.000 0.863 998 T HN 0.102 nan 8.240 nan 0.000 0.436 999 V N 1.530 121.440 119.914 -0.007 0.000 2.231 999 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 999 V C 2.786 178.942 176.094 0.104 0.000 1.054 999 V CA 2.199 64.531 62.300 0.053 0.000 1.015 999 V CB -0.858 31.022 31.823 0.095 0.000 0.638 999 V HN 0.475 nan 8.190 nan 0.000 0.444 1000 S N -0.259 115.498 115.700 0.095 0.000 2.387 1000 S HA -0.241 4.228 4.470 -0.001 0.000 0.230 1000 S C 2.100 176.757 174.600 0.094 0.000 1.035 1000 S CA 1.488 59.756 58.200 0.113 0.000 1.014 1000 S CB -0.541 62.690 63.200 0.051 0.000 0.836 1000 S HN 0.692 nan 8.310 nan 0.000 0.466 1001 A N 1.505 124.339 122.820 0.023 0.000 1.845 1001 A HA -0.096 4.224 4.320 -0.001 0.000 0.215 1001 A C 2.363 179.963 177.584 0.026 0.000 1.195 1001 A CA 1.937 53.977 52.037 0.004 0.000 0.616 1001 A CB -1.209 17.755 19.000 -0.060 0.000 0.832 1001 A HN 0.445 nan 8.150 nan 0.000 0.443 1002 S N -0.774 114.927 115.700 0.003 0.000 2.368 1002 S HA -0.263 4.207 4.470 -0.001 0.000 0.226 1002 S C 1.952 176.547 174.600 -0.007 0.000 1.044 1002 S CA 1.561 59.749 58.200 -0.021 0.000 1.062 1002 S CB -0.725 62.437 63.200 -0.063 0.000 0.931 1002 S HN 0.669 nan 8.310 nan 0.000 0.440 1003 H N 0.780 119.870 119.070 0.033 0.000 2.257 1003 H HA -0.092 4.464 4.556 -0.001 0.000 0.292 1003 H C 2.260 177.622 175.328 0.057 0.000 1.075 1003 H CA 1.756 57.834 56.048 0.050 0.000 1.212 1003 H CB -0.844 28.945 29.762 0.046 0.000 1.354 1003 H HN 0.291 nan 8.280 nan 0.000 0.497 1004 I N 1.278 121.968 120.570 0.200 0.000 2.657 1004 I HA -0.193 3.977 4.170 -0.001 0.000 0.261 1004 I C 2.129 178.301 176.117 0.092 0.000 1.212 1004 I CA 1.077 62.456 61.300 0.131 0.000 1.453 1004 I CB -0.849 37.208 38.000 0.095 0.000 1.092 1004 I HN 0.192 nan 8.210 nan 0.000 0.452 1005 I N 0.442 121.054 120.570 0.071 0.000 2.277 1005 I HA -0.230 3.939 4.170 -0.001 0.000 0.243 1005 I C 2.692 178.830 176.117 0.035 0.000 1.094 1005 I CA 0.708 62.032 61.300 0.039 0.000 1.393 1005 I CB -0.457 37.554 38.000 0.019 0.000 1.078 1005 I HN 0.168 nan 8.210 nan 0.000 0.417 1006 R N 0.914 121.439 120.500 0.043 0.000 2.103 1006 R HA -0.208 4.132 4.340 -0.001 0.000 0.242 1006 R C 2.184 178.504 176.300 0.034 0.000 1.142 1006 R CA 1.726 57.847 56.100 0.035 0.000 0.960 1006 R CB -0.156 30.173 30.300 0.048 0.000 0.858 1006 R HN 0.187 nan 8.270 nan 0.000 0.439 1007 I N 0.342 120.963 120.570 0.084 0.000 2.394 1007 I HA -0.206 3.963 4.170 -0.001 0.000 0.251 1007 I C 2.158 178.284 176.117 0.015 0.000 1.136 1007 I CA 1.044 62.390 61.300 0.076 0.000 1.425 1007 I CB -0.197 37.912 38.000 0.182 0.000 1.079 1007 I HN 0.270 nan 8.210 nan 0.000 0.425 1008 I N -0.275 120.311 120.570 0.028 0.000 3.059 1008 I HA -0.116 4.053 4.170 -0.001 0.000 0.270 1008 I C 2.137 178.242 176.117 -0.020 0.000 1.238 1008 I CA 0.817 62.124 61.300 0.012 0.000 1.478 1008 I CB -0.080 37.936 38.000 0.026 0.000 1.097 1008 I HN 0.141 nan 8.210 nan 0.000 0.455 1009 E N 2.020 122.204 120.200 -0.027 0.000 2.005 1009 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 1009 E C 0.856 177.415 176.600 -0.069 0.000 0.987 1009 E CA 1.060 57.437 56.400 -0.038 0.000 0.814 1009 E CB -0.375 29.308 29.700 -0.028 0.000 0.772 1009 E HN 0.510 nan 8.360 nan 0.000 0.453 1010 K N -0.281 120.053 120.400 -0.109 0.000 2.403 1010 K HA -0.248 4.071 4.320 -0.001 0.000 0.203 1010 K C 0.293 176.816 176.600 -0.128 0.000 1.500 1010 K CA 1.626 57.810 56.287 -0.172 0.000 0.779 1010 K CB -1.565 30.783 32.500 -0.252 0.000 0.682 1010 K HN 0.237 nan 8.250 nan 0.000 0.958 1011 T N -0.121 114.343 114.554 -0.149 0.000 3.318 1011 T HA 0.443 4.792 4.350 -0.001 0.000 0.304 1011 T C -2.224 172.425 174.700 -0.086 0.000 1.051 1011 T CA -0.922 61.123 62.100 -0.093 0.000 1.546 1011 T CB 0.514 69.336 68.868 -0.078 0.000 0.875 1011 T HN 0.395 nan 8.240 nan 0.000 0.578 1012 P HA -0.261 nan 4.420 nan 0.000 0.233 1012 P C 1.064 178.333 177.300 -0.052 0.000 1.146 1012 P CA 1.687 64.749 63.100 -0.063 0.000 0.931 1012 P CB 0.177 31.853 31.700 -0.039 0.000 0.777 1013 E N -2.746 117.459 120.200 0.010 0.000 4.145 1013 E HA -0.240 4.110 4.350 -0.001 0.000 0.296 1013 E C 0.343 177.018 176.600 0.126 0.000 0.666 1013 E CA 1.952 58.387 56.400 0.059 0.000 1.214 1013 E CB -1.242 28.447 29.700 -0.018 0.000 1.679 1013 E HN 0.528 nan 8.360 nan 0.000 0.406 1014 I N -2.554 117.989 120.570 -0.044 0.000 2.608 1014 I HA 0.230 4.400 4.170 -0.001 0.000 0.250 1014 I C 0.058 175.947 176.117 -0.380 0.000 1.626 1014 I CA -0.403 60.737 61.300 -0.265 0.000 0.913 1014 I CB 0.129 38.106 38.000 -0.038 0.000 1.540 1014 I HN -0.198 nan 8.210 nan 0.000 0.488 1015 D N 2.104 122.178 120.400 -0.543 0.000 2.397 1015 D HA 0.210 4.850 4.640 -0.001 0.000 0.262 1015 D C 1.113 177.160 176.300 -0.422 0.000 1.323 1015 D CA 1.061 54.852 54.000 -0.349 0.000 0.999 1015 D CB 0.684 41.350 40.800 -0.222 0.000 0.971 1015 D HN 0.450 nan 8.370 nan 0.000 0.338 1016 S N -2.608 112.843 115.700 -0.416 0.000 2.667 1016 S HA 0.710 5.179 4.470 -0.001 0.000 0.292 1016 S C -1.488 172.982 174.600 -0.215 0.000 1.108 1016 S CA -0.475 57.590 58.200 -0.224 0.000 0.992 1016 S CB 0.298 63.469 63.200 -0.048 0.000 1.269 1016 S HN 0.324 nan 8.310 nan 0.000 0.528 1017 Y N -1.829 118.475 120.300 0.007 0.000 3.059 1017 Y HA 0.151 4.701 4.550 -0.001 0.000 0.429 1017 Y C 0.662 176.559 175.900 -0.006 0.000 1.063 1017 Y CA -0.405 57.696 58.100 0.001 0.000 1.396 1017 Y CB 0.005 38.471 38.460 0.011 0.000 1.791 1017 Y HN 0.569 nan 8.280 nan 0.000 0.520 1018 S N -0.390 115.395 115.700 0.141 0.000 2.811 1018 S HA 0.053 4.523 4.470 -0.001 0.000 0.237 1018 S C 0.719 175.320 174.600 0.002 0.000 1.038 1018 S CA 1.208 59.430 58.200 0.037 0.000 0.881 1018 S CB -0.520 62.674 63.200 -0.009 0.000 0.815 1018 S HN 1.353 nan 8.310 nan 0.000 0.582 1019 T N 1.540 116.086 114.554 -0.013 0.000 3.414 1019 T HA -0.112 4.238 4.350 -0.001 0.000 0.377 1019 T C -0.021 174.628 174.700 -0.085 0.000 0.767 1019 T CA 1.558 63.634 62.100 -0.040 0.000 1.894 1019 T CB -2.526 66.345 68.868 0.005 0.000 1.781 1019 T HN 1.272 nan 8.240 nan 0.000 0.643 1020 Q N -3.186 116.533 119.800 -0.136 0.000 2.893 1020 Q HA 0.402 4.742 4.340 -0.001 0.000 0.300 1020 Q C -0.086 175.763 176.000 -0.251 0.000 0.858 1020 Q CA -0.027 55.632 55.803 -0.239 0.000 0.918 1020 Q CB -0.307 28.210 28.738 -0.368 0.000 1.530 1020 Q HN 0.894 nan 8.270 nan 0.000 0.571 1021 G N -0.135 108.470 108.800 -0.325 0.000 4.552 1021 G HA2 0.485 4.445 3.960 -0.001 0.000 0.281 1021 G HA3 0.485 4.445 3.960 -0.001 0.000 0.281 1021 G C 0.154 174.834 174.900 -0.366 0.000 1.037 1021 G CA 0.053 44.992 45.100 -0.269 0.000 0.806 1021 G HN 1.625 nan 8.290 nan 0.000 0.495 1022 L N 0.001 120.799 121.223 -0.709 0.000 3.843 1022 L HA -0.178 4.161 4.340 -0.001 0.000 0.411 1022 L C -0.138 176.498 176.870 -0.390 0.000 1.205 1022 L CA -0.018 54.309 54.840 -0.855 0.000 0.945 1022 L CB -0.986 40.857 42.059 -0.359 0.000 1.929 1022 L HN 0.183 nan 8.230 nan 0.000 0.934 1023 K N 0.625 120.814 120.400 -0.351 0.000 2.539 1023 K HA -0.107 4.213 4.320 -0.001 0.000 0.271 1023 K C -1.791 174.746 176.600 -0.105 0.000 1.004 1023 K CA -0.109 56.064 56.287 -0.190 0.000 1.117 1023 K CB -0.081 32.312 32.500 -0.179 0.000 0.815 1023 K HN 0.187 nan 8.250 nan 0.000 0.481 1024 P HA -0.030 nan 4.420 nan 0.000 0.277 1024 P C -0.336 176.964 177.300 -0.000 0.000 1.617 1024 P CA 0.539 63.633 63.100 -0.010 0.000 0.829 1024 P CB -0.236 31.460 31.700 -0.006 0.000 1.774 1025 N N -2.130 116.563 118.700 -0.011 0.000 1.893 1025 N HA 0.033 4.773 4.740 -0.001 0.000 0.232 1025 N C 0.864 176.377 175.510 0.005 0.000 1.392 1025 N CA -0.023 53.027 53.050 0.001 0.000 0.801 1025 N CB -0.338 38.140 38.487 -0.015 0.000 1.084 1025 N HN 0.065 nan 8.380 nan 0.000 0.479 1026 M N 1.253 120.844 119.600 -0.015 0.000 2.818 1026 M HA 0.079 4.559 4.480 -0.001 0.000 0.226 1026 M C 0.590 176.938 176.300 0.079 0.000 1.050 1026 M CA 0.644 55.954 55.300 0.016 0.000 1.059 1026 M CB -0.390 32.168 32.600 -0.070 0.000 1.634 1026 M HN 0.046 nan 8.290 nan 0.000 0.545 1027 L N -0.595 120.648 121.223 0.035 0.000 2.492 1027 L HA -0.025 4.314 4.340 -0.001 0.000 0.223 1027 L C 2.273 179.233 176.870 0.150 0.000 1.132 1027 L CA 0.851 55.673 54.840 -0.029 0.000 0.850 1027 L CB -0.559 41.578 42.059 0.131 0.000 0.966 1027 L HN 0.223 nan 8.230 nan 0.000 0.454 1028 E N 1.032 121.299 120.200 0.110 0.000 2.012 1028 E HA -0.213 4.137 4.350 -0.001 0.000 0.211 1028 E C 1.451 178.134 176.600 0.137 0.000 1.029 1028 E CA 1.620 58.089 56.400 0.115 0.000 0.867 1028 E CB -0.474 29.267 29.700 0.067 0.000 0.790 1028 E HN 0.383 nan 8.360 nan 0.000 0.482 1029 G N 1.278 110.136 108.800 0.097 0.000 2.226 1029 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.176 1029 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.176 1029 G C -0.480 174.450 174.900 0.050 0.000 1.042 1029 G CA 0.148 45.299 45.100 0.084 0.000 0.732 1029 G HN 0.170 nan 8.290 nan 0.000 0.494 1030 N N 0.031 118.758 118.700 0.044 0.000 2.414 1030 N HA 0.507 5.246 4.740 -0.001 0.000 0.256 1030 N C 0.267 175.786 175.510 0.015 0.000 1.029 1030 N CA -0.184 52.883 53.050 0.028 0.000 0.948 1030 N CB 1.699 40.208 38.487 0.037 0.000 1.102 1030 N HN 0.158 nan 8.380 nan 0.000 0.496 1031 V N 2.904 122.803 119.914 -0.026 0.000 2.498 1031 V HA 0.256 4.376 4.120 -0.001 0.000 0.279 1031 V C 0.054 176.083 176.094 -0.109 0.000 1.048 1031 V CA -0.389 61.856 62.300 -0.092 0.000 0.967 1031 V CB 1.204 32.930 31.823 -0.162 0.000 0.988 1031 V HN 0.509 nan 8.190 nan 0.000 0.473 1032 Q N 3.630 123.342 119.800 -0.146 0.000 2.333 1032 Q HA 0.494 4.834 4.340 -0.001 0.000 0.268 1032 Q C -1.515 174.369 176.000 -0.195 0.000 1.007 1032 Q CA -0.383 55.337 55.803 -0.138 0.000 0.810 1032 Q CB 1.867 30.536 28.738 -0.115 0.000 1.264 1032 Q HN 0.598 nan 8.270 nan 0.000 0.452 1033 F N 0.991 120.874 119.950 -0.112 0.000 2.445 1033 F HA 0.374 4.901 4.527 -0.001 0.000 0.348 1033 F C 0.081 175.809 175.800 -0.120 0.000 1.125 1033 F CA -0.760 57.172 58.000 -0.114 0.000 0.983 1033 F CB 1.831 40.789 39.000 -0.071 0.000 1.198 1033 F HN 0.223 nan 8.300 nan 0.000 0.436 1034 S N 2.086 117.846 115.700 0.100 0.000 2.521 1034 S HA 0.604 5.074 4.470 -0.001 0.000 0.295 1034 S C 0.635 175.223 174.600 -0.020 0.000 1.098 1034 S CA 0.339 58.535 58.200 -0.007 0.000 0.999 1034 S CB 1.324 64.475 63.200 -0.082 0.000 1.034 1034 S HN 1.186 nan 8.310 nan 0.000 0.483 1035 G N 2.899 111.683 108.800 -0.027 0.000 3.163 1035 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.227 1035 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.227 1035 G C 0.364 175.235 174.900 -0.049 0.000 1.300 1035 G CA 0.099 45.182 45.100 -0.028 0.000 0.867 1035 G HN 1.807 nan 8.290 nan 0.000 0.533 1036 V N 0.636 120.507 119.914 -0.073 0.000 5.861 1036 V HA 0.011 4.130 4.120 -0.001 0.000 0.214 1036 V C 0.846 176.890 176.094 -0.085 0.000 0.740 1036 V CA 1.524 63.736 62.300 -0.148 0.000 0.753 1036 V CB -1.232 30.329 31.823 -0.436 0.000 0.817 1036 V HN 1.976 nan 8.190 nan 0.000 0.410 1037 V N 4.259 124.174 119.914 0.002 0.000 2.588 1037 V HA 1.026 5.146 4.120 -0.001 0.000 0.304 1037 V C -0.991 175.206 176.094 0.173 0.000 1.042 1037 V CA -0.783 61.544 62.300 0.046 0.000 0.877 1037 V CB 2.076 33.916 31.823 0.028 0.000 0.996 1037 V HN 1.076 nan 8.190 nan 0.000 0.425 1038 F N 3.709 123.636 119.950 -0.039 0.000 2.740 1038 F HA 0.578 5.104 4.527 -0.001 0.000 0.312 1038 F C -2.013 173.794 175.800 0.010 0.000 1.121 1038 F CA -0.470 57.526 58.000 -0.008 0.000 0.977 1038 F CB 1.478 40.476 39.000 -0.004 0.000 1.265 1038 F HN 0.802 nan 8.300 nan 0.000 0.443 1039 N N 4.265 122.189 118.700 -1.294 0.000 2.500 1039 N HA 0.228 4.967 4.740 -0.001 0.000 0.291 1039 N C -1.478 173.353 175.510 -1.131 0.000 1.092 1039 N CA -0.448 51.910 53.050 -1.153 0.000 0.890 1039 N CB 1.206 39.380 38.487 -0.521 0.000 1.466 1039 N HN 0.655 nan 8.380 nan 0.000 0.507 1040 Y N 2.043 121.710 120.300 -1.055 0.000 2.916 1040 Y HA 0.162 4.712 4.550 -0.001 0.000 0.344 1040 Y C -2.187 173.695 175.900 -0.029 0.000 1.282 1040 Y CA -1.855 56.150 58.100 -0.157 0.000 1.604 1040 Y CB -1.183 37.271 38.460 -0.010 0.000 1.207 1040 Y HN 0.390 nan 8.280 nan 0.000 0.561 1041 P HA -0.171 nan 4.420 nan 0.000 0.240 1041 P C 0.518 177.757 177.300 -0.102 0.000 1.079 1041 P CA 1.938 65.058 63.100 0.035 0.000 0.839 1041 P CB -0.156 31.640 31.700 0.160 0.000 0.750 1042 T N 1.782 116.212 114.554 -0.207 0.000 5.369 1042 T HA -0.044 4.305 4.350 -0.001 0.000 0.319 1042 T C 1.258 175.790 174.700 -0.279 0.000 1.141 1042 T CA -0.112 61.838 62.100 -0.249 0.000 0.436 1042 T CB -1.080 67.549 68.868 -0.399 0.000 0.506 1042 T HN 0.312 nan 8.240 nan 0.000 0.261 1043 R N 1.631 121.984 120.500 -0.245 0.000 2.265 1043 R HA -0.170 4.170 4.340 -0.001 0.000 0.268 1043 R C -1.051 175.149 176.300 -0.166 0.000 1.178 1043 R CA 2.751 58.724 56.100 -0.212 0.000 1.005 1043 R CB -0.675 29.548 30.300 -0.127 0.000 0.891 1043 R HN 0.421 nan 8.270 nan 0.000 0.472 1044 P HA -0.159 nan 4.420 nan 0.000 0.217 1044 P C 0.708 177.944 177.300 -0.107 0.000 1.151 1044 P CA 1.905 64.946 63.100 -0.099 0.000 0.849 1044 P CB -0.275 31.378 31.700 -0.080 0.000 0.787 1045 S N -0.319 115.294 115.700 -0.146 0.000 2.967 1045 S HA 0.084 4.554 4.470 -0.001 0.000 0.254 1045 S C 0.877 175.398 174.600 -0.131 0.000 1.089 1045 S CA -0.528 57.595 58.200 -0.128 0.000 1.183 1045 S CB -1.518 61.595 63.200 -0.146 0.000 0.848 1045 S HN -0.121 nan 8.310 nan 0.000 0.477 1046 I N -0.174 120.323 120.570 -0.122 0.000 5.691 1046 I HA -0.191 3.978 4.170 -0.001 0.000 0.126 1046 I C -2.604 173.424 176.117 -0.150 0.000 1.270 1046 I CA 0.064 61.297 61.300 -0.111 0.000 2.583 1046 I CB -1.437 36.519 38.000 -0.074 0.000 2.270 1046 I HN 0.221 nan 8.210 nan 0.000 0.308 1047 P HA 0.305 nan 4.420 nan 0.000 0.283 1047 P C 0.526 177.766 177.300 -0.100 0.000 1.271 1047 P CA -0.405 62.588 63.100 -0.180 0.000 0.841 1047 P CB 0.885 32.483 31.700 -0.169 0.000 1.122 1048 V N -1.865 118.000 119.914 -0.081 0.000 3.647 1048 V HA 0.245 4.364 4.120 -0.001 0.000 0.279 1048 V C 0.019 176.107 176.094 -0.010 0.000 1.314 1048 V CA 0.747 63.034 62.300 -0.022 0.000 1.125 1048 V CB -0.623 31.208 31.823 0.013 0.000 0.907 1048 V HN 0.202 nan 8.190 nan 0.000 0.434 1049 L N 3.176 124.396 121.223 -0.006 0.000 2.388 1049 L HA 0.533 4.872 4.340 -0.001 0.000 0.267 1049 L C -0.411 176.452 176.870 -0.011 0.000 0.995 1049 L CA -0.143 54.697 54.840 -0.001 0.000 0.864 1049 L CB 1.131 43.215 42.059 0.042 0.000 1.216 1049 L HN 0.641 nan 8.230 nan 0.000 0.430 1050 Q N 1.019 120.805 119.800 -0.023 0.000 2.700 1050 Q HA 0.605 4.945 4.340 -0.001 0.000 0.249 1050 Q C 0.488 176.475 176.000 -0.021 0.000 1.033 1050 Q CA -0.523 55.268 55.803 -0.020 0.000 0.804 1050 Q CB 1.292 30.017 28.738 -0.022 0.000 1.164 1050 Q HN 0.759 nan 8.270 nan 0.000 0.500 1051 G N 1.855 110.640 108.800 -0.025 0.000 2.325 1051 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.248 1051 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.248 1051 G C -0.777 174.101 174.900 -0.036 0.000 1.108 1051 G CA -0.295 44.790 45.100 -0.025 0.000 0.881 1051 G HN 0.532 nan 8.290 nan 0.000 0.494 1052 L N 0.626 121.808 121.223 -0.067 0.000 2.357 1052 L HA 0.884 5.224 4.340 -0.001 0.000 0.273 1052 L C 0.155 176.974 176.870 -0.084 0.000 1.080 1052 L CA -0.231 54.557 54.840 -0.087 0.000 0.803 1052 L CB 2.028 43.998 42.059 -0.148 0.000 1.174 1052 L HN 0.310 nan 8.230 nan 0.000 0.443 1053 S N 5.274 120.950 115.700 -0.040 0.000 2.652 1053 S HA 0.743 5.212 4.470 -0.001 0.000 0.273 1053 S C -1.269 173.342 174.600 0.020 0.000 1.172 1053 S CA -0.665 57.537 58.200 0.003 0.000 1.009 1053 S CB 1.034 64.233 63.200 -0.002 0.000 1.094 1053 S HN 0.420 nan 8.310 nan 0.000 0.471 1054 L N 1.369 122.635 121.223 0.072 0.000 2.305 1054 L HA 0.813 5.153 4.340 -0.001 0.000 0.239 1054 L C -0.113 176.787 176.870 0.050 0.000 1.146 1054 L CA -0.723 54.138 54.840 0.036 0.000 1.038 1054 L CB 0.392 42.486 42.059 0.057 0.000 1.591 1054 L HN 0.794 nan 8.230 nan 0.000 0.438 1055 E N -0.495 119.713 120.200 0.013 0.000 2.421 1055 E HA 0.446 4.796 4.350 -0.001 0.000 0.278 1055 E C -2.225 174.362 176.600 -0.021 0.000 1.141 1055 E CA -0.345 56.050 56.400 -0.008 0.000 0.880 1055 E CB 2.379 32.069 29.700 -0.017 0.000 1.381 1055 E HN 0.299 nan 8.360 nan 0.000 0.436 1056 V N 2.481 122.382 119.914 -0.023 0.000 2.697 1056 V HA 0.385 4.505 4.120 -0.001 0.000 0.300 1056 V C -0.564 175.525 176.094 -0.008 0.000 1.115 1056 V CA -0.585 61.705 62.300 -0.017 0.000 0.912 1056 V CB 1.677 33.490 31.823 -0.017 0.000 1.024 1056 V HN 0.735 nan 8.190 nan 0.000 0.431 1057 K N 3.720 124.118 120.400 -0.003 0.000 2.485 1057 K HA 0.150 4.470 4.320 -0.001 0.000 0.269 1057 K C 0.199 176.807 176.600 0.012 0.000 1.112 1057 K CA 0.482 56.773 56.287 0.006 0.000 0.842 1057 K CB 0.097 32.601 32.500 0.006 0.000 1.049 1057 K HN 0.843 nan 8.250 nan 0.000 0.496 1058 K N -1.911 118.500 120.400 0.018 0.000 2.258 1058 K HA 0.514 4.834 4.320 -0.001 0.000 0.236 1058 K C 0.523 177.133 176.600 0.017 0.000 1.008 1058 K CA -0.365 55.938 56.287 0.025 0.000 0.869 1058 K CB 1.271 33.794 32.500 0.038 0.000 1.171 1058 K HN 0.479 nan 8.250 nan 0.000 0.447 1059 G N 1.059 109.868 108.800 0.015 0.000 2.420 1059 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.305 1059 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.305 1059 G C -0.190 174.710 174.900 -0.001 0.000 0.971 1059 G CA 1.733 46.833 45.100 -0.001 0.000 0.843 1059 G HN 0.830 nan 8.290 nan 0.000 0.512 1060 Q N -1.987 117.815 119.800 0.003 0.000 3.158 1060 Q HA 0.822 5.161 4.340 -0.001 0.000 0.235 1060 Q C -0.107 175.896 176.000 0.004 0.000 1.110 1060 Q CA -0.176 55.629 55.803 0.003 0.000 0.546 1060 Q CB 0.302 29.043 28.738 0.006 0.000 4.477 1060 Q HN 0.203 nan 8.270 nan 0.000 0.307 1061 T N 1.299 115.857 114.554 0.006 0.000 3.348 1061 T HA 0.295 4.645 4.350 -0.001 0.000 0.328 1061 T C -1.587 173.120 174.700 0.010 0.000 0.913 1061 T CA -0.599 61.507 62.100 0.009 0.000 1.043 1061 T CB 0.657 69.533 68.868 0.014 0.000 1.021 1061 T HN 0.503 nan 8.240 nan 0.000 0.461 1062 L N 4.129 125.357 121.223 0.009 0.000 2.385 1062 L HA 0.684 5.024 4.340 -0.001 0.000 0.281 1062 L C 0.223 177.105 176.870 0.020 0.000 1.106 1062 L CA -0.141 54.705 54.840 0.010 0.000 0.856 1062 L CB -0.389 41.675 42.059 0.008 0.000 1.186 1062 L HN 0.764 nan 8.230 nan 0.000 0.453 1063 A N 6.969 129.802 122.820 0.022 0.000 2.309 1063 A HA 0.498 4.817 4.320 -0.001 0.000 0.290 1063 A C -0.624 176.984 177.584 0.041 0.000 1.206 1063 A CA -0.524 51.533 52.037 0.034 0.000 0.850 1063 A CB 0.526 19.546 19.000 0.034 0.000 1.118 1063 A HN 0.676 nan 8.150 nan 0.000 0.523 1064 L N 4.207 125.461 121.223 0.053 0.000 2.325 1064 L HA 0.611 4.950 4.340 -0.001 0.000 0.281 1064 L C -0.891 176.027 176.870 0.079 0.000 1.004 1064 L CA -0.369 54.507 54.840 0.060 0.000 0.823 1064 L CB 1.481 43.574 42.059 0.055 0.000 1.236 1064 L HN 0.520 nan 8.230 nan 0.000 0.415 1065 V N 5.671 125.640 119.914 0.093 0.000 2.419 1065 V HA 0.840 4.960 4.120 -0.001 0.000 0.287 1065 V C 0.117 176.274 176.094 0.105 0.000 1.017 1065 V CA 0.036 62.409 62.300 0.120 0.000 0.844 1065 V CB 1.310 33.241 31.823 0.179 0.000 1.011 1065 V HN 0.886 nan 8.190 nan 0.000 0.429 1066 G N 3.850 112.703 108.800 0.087 0.000 2.971 1066 G HA2 0.493 4.453 3.960 -0.001 0.000 0.235 1066 G HA3 0.493 4.453 3.960 -0.001 0.000 0.235 1066 G C 0.883 175.817 174.900 0.057 0.000 1.351 1066 G CA 0.261 45.398 45.100 0.061 0.000 1.039 1066 G HN 1.043 nan 8.290 nan 0.000 0.563 1067 S N -1.518 114.197 115.700 0.026 0.000 2.311 1067 S HA 0.322 4.791 4.470 -0.001 0.000 0.209 1067 S C 0.962 175.540 174.600 -0.038 0.000 1.029 1067 S CA 1.371 59.577 58.200 0.009 0.000 0.968 1067 S CB -0.243 62.956 63.200 -0.000 0.000 0.946 1067 S HN 1.283 nan 8.310 nan 0.000 0.450 1068 S N -1.941 113.722 115.700 -0.063 0.000 2.614 1068 S HA 0.515 4.984 4.470 -0.001 0.000 0.280 1068 S C 0.269 174.818 174.600 -0.086 0.000 1.111 1068 S CA 0.112 58.236 58.200 -0.126 0.000 0.847 1068 S CB 0.655 63.770 63.200 -0.142 0.000 1.079 1068 S HN 1.733 nan 8.310 nan 0.000 0.452 1069 G N 2.490 111.230 108.800 -0.098 0.000 2.672 1069 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.332 1069 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.332 1069 G C 0.949 175.815 174.900 -0.057 0.000 1.213 1069 G CA 0.371 45.428 45.100 -0.071 0.000 0.980 1069 G HN 1.569 nan 8.290 nan 0.000 0.548 1070 C N 1.497 120.763 119.300 -0.056 0.000 2.867 1070 C HA 0.451 4.910 4.460 -0.001 0.000 0.385 1070 C C 2.276 177.246 174.990 -0.032 0.000 1.270 1070 C CA 2.211 61.195 59.018 -0.057 0.000 2.000 1070 C CB -0.214 27.500 27.740 -0.044 0.000 2.664 1070 C HN 2.626 nan 8.230 nan 0.000 0.730 1071 G N 0.948 109.734 108.800 -0.023 0.000 4.677 1071 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.215 1071 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.215 1071 G C 1.021 175.920 174.900 -0.002 0.000 1.506 1071 G CA 0.465 45.560 45.100 -0.008 0.000 1.016 1071 G HN 0.660 nan 8.290 nan 0.000 0.653 1072 K N 1.528 121.928 120.400 0.001 0.000 2.057 1072 K HA 0.020 4.340 4.320 -0.001 0.000 0.207 1072 K C 2.996 179.605 176.600 0.015 0.000 1.049 1072 K CA 2.241 58.538 56.287 0.016 0.000 0.931 1072 K CB -0.320 32.190 32.500 0.018 0.000 0.714 1072 K HN 0.624 nan 8.250 nan 0.000 0.440 1073 S N 1.301 116.999 115.700 -0.003 0.000 2.343 1073 S HA -0.209 4.261 4.470 -0.001 0.000 0.219 1073 S C 2.387 176.987 174.600 -0.001 0.000 1.033 1073 S CA 1.877 60.076 58.200 -0.002 0.000 1.014 1073 S CB -1.414 61.767 63.200 -0.032 0.000 0.915 1073 S HN 0.464 nan 8.310 nan 0.000 0.435 1074 T N 1.236 115.777 114.554 -0.021 0.000 2.653 1074 T HA -0.152 4.198 4.350 -0.001 0.000 0.268 1074 T C 1.794 176.491 174.700 -0.005 0.000 1.035 1074 T CA 1.557 63.652 62.100 -0.008 0.000 1.154 1074 T CB -1.427 67.489 68.868 0.080 0.000 0.862 1074 T HN 0.225 nan 8.240 nan 0.000 0.441 1075 V N 1.876 121.797 119.914 0.012 0.000 2.214 1075 V HA -0.232 3.887 4.120 -0.001 0.000 0.247 1075 V C 2.920 179.099 176.094 0.143 0.000 1.051 1075 V CA 2.140 64.486 62.300 0.076 0.000 1.003 1075 V CB -1.090 30.791 31.823 0.097 0.000 0.635 1075 V HN 0.476 nan 8.190 nan 0.000 0.447 1076 V N -0.686 119.274 119.914 0.077 0.000 2.223 1076 V HA -0.471 3.648 4.120 -0.001 0.000 0.253 1076 V C 2.355 178.426 176.094 -0.038 0.000 1.061 1076 V CA 2.770 65.085 62.300 0.025 0.000 1.035 1076 V CB -1.126 30.708 31.823 0.017 0.000 0.653 1076 V HN 0.562 nan 8.190 nan 0.000 0.454 1077 Q N -0.554 119.232 119.800 -0.024 0.000 2.028 1077 Q HA -0.286 4.054 4.340 -0.001 0.000 0.213 1077 Q C 2.209 178.125 176.000 -0.139 0.000 1.017 1077 Q CA 2.701 58.463 55.803 -0.068 0.000 0.875 1077 Q CB -0.590 28.249 28.738 0.168 0.000 0.962 1077 Q HN 0.595 nan 8.270 nan 0.000 0.413 1078 L N -0.190 121.022 121.223 -0.019 0.000 2.085 1078 L HA -0.284 4.056 4.340 -0.001 0.000 0.218 1078 L C 2.364 179.265 176.870 0.051 0.000 1.080 1078 L CA 1.200 56.064 54.840 0.040 0.000 0.776 1078 L CB -0.615 41.533 42.059 0.149 0.000 0.891 1078 L HN 0.371 nan 8.230 nan 0.000 0.437 1079 L N -0.633 120.596 121.223 0.009 0.000 2.093 1079 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 1079 L C 2.260 179.014 176.870 -0.194 0.000 1.085 1079 L CA 1.775 56.533 54.840 -0.137 0.000 0.755 1079 L CB -0.611 41.350 42.059 -0.164 0.000 0.904 1079 L HN 0.148 nan 8.230 nan 0.000 0.435 1080 E N 0.744 120.742 120.200 -0.338 0.000 2.516 1080 E HA -0.149 4.200 4.350 -0.001 0.000 0.199 1080 E C 0.450 176.754 176.600 -0.494 0.000 1.069 1080 E CA 0.229 56.275 56.400 -0.591 0.000 0.876 1080 E CB -0.365 28.572 29.700 -1.273 0.000 0.843 1080 E HN 0.452 nan 8.360 nan 0.000 0.530 1081 R N 0.244 120.612 120.500 -0.221 0.000 3.109 1081 R HA -0.222 4.117 4.340 -0.001 0.000 0.241 1081 R C 0.027 176.382 176.300 0.091 0.000 0.882 1081 R CA -0.023 56.059 56.100 -0.030 0.000 0.604 1081 R CB -1.400 28.914 30.300 0.022 0.000 1.040 1081 R HN 0.002 nan 8.270 nan 0.000 0.480 1082 F N -0.150 119.857 119.950 0.095 0.000 2.147 1082 F HA 0.112 4.639 4.527 -0.001 0.000 0.291 1082 F C 0.801 176.521 175.800 -0.134 0.000 1.093 1082 F CA 0.706 58.705 58.000 -0.002 0.000 1.263 1082 F CB -0.238 38.839 39.000 0.127 0.000 1.036 1082 F HN 0.101 nan 8.300 nan 0.000 0.481 1083 Y N -0.075 120.300 120.300 0.125 0.000 2.393 1083 Y HA 0.381 4.930 4.550 -0.001 0.000 0.341 1083 Y C -0.088 175.701 175.900 -0.184 0.000 0.988 1083 Y CA -2.197 55.893 58.100 -0.015 0.000 1.078 1083 Y CB 0.437 38.853 38.460 -0.073 0.000 1.203 1083 Y HN -0.198 nan 8.280 nan 0.000 0.453 1084 D N 5.010 125.441 120.400 0.053 0.000 2.225 1084 D HA 0.211 4.851 4.640 -0.001 0.000 0.248 1084 D C -2.389 173.893 176.300 -0.029 0.000 1.096 1084 D CA -1.441 52.564 54.000 0.008 0.000 0.863 1084 D CB 1.373 42.211 40.800 0.065 0.000 1.156 1084 D HN 0.285 nan 8.370 nan 0.000 0.450 1085 P HA -0.081 nan 4.420 nan 0.000 0.263 1085 P C 0.713 178.095 177.300 0.137 0.000 1.168 1085 P CA 0.180 63.284 63.100 0.006 0.000 0.759 1085 P CB 0.709 32.415 31.700 0.010 0.000 0.782 1086 M N 1.397 121.146 119.600 0.249 0.000 2.476 1086 M HA 0.028 4.508 4.480 -0.001 0.000 0.262 1086 M C 0.808 177.171 176.300 0.104 0.000 1.079 1086 M CA 1.282 56.693 55.300 0.184 0.000 1.104 1086 M CB -0.031 32.678 32.600 0.181 0.000 1.409 1086 M HN 0.503 nan 8.290 nan 0.000 0.467 1087 A N -0.620 122.251 122.820 0.085 0.000 2.582 1087 A HA 0.642 4.962 4.320 -0.001 0.000 0.297 1087 A C -0.143 177.460 177.584 0.031 0.000 1.059 1087 A CA -0.172 51.895 52.037 0.050 0.000 0.705 1087 A CB 0.409 19.432 19.000 0.038 0.000 1.279 1087 A HN 0.502 nan 8.150 nan 0.000 0.404 1088 G N -0.148 108.665 108.800 0.022 0.000 2.526 1088 G HA2 0.493 4.453 3.960 -0.001 0.000 0.250 1088 G HA3 0.493 4.453 3.960 -0.001 0.000 0.250 1088 G C -0.007 174.900 174.900 0.011 0.000 1.289 1088 G CA 0.477 45.580 45.100 0.005 0.000 0.947 1088 G HN 2.275 nan 8.290 nan 0.000 0.517 1089 S N -2.734 112.957 115.700 -0.013 0.000 2.727 1089 S HA 0.883 5.353 4.470 -0.001 0.000 0.278 1089 S C -1.146 173.416 174.600 -0.063 0.000 1.186 1089 S CA 0.799 58.985 58.200 -0.024 0.000 0.836 1089 S CB 1.363 64.524 63.200 -0.066 0.000 1.186 1089 S HN 2.362 nan 8.310 nan 0.000 0.499 1090 V N 0.883 120.721 119.914 -0.126 0.000 3.188 1090 V HA 0.884 5.004 4.120 -0.001 0.000 0.305 1090 V C -2.394 173.666 176.094 -0.057 0.000 1.232 1090 V CA -0.550 61.630 62.300 -0.201 0.000 1.043 1090 V CB 2.034 33.757 31.823 -0.167 0.000 1.068 1090 V HN 0.743 nan 8.190 nan 0.000 0.439 1091 F N 5.316 125.207 119.950 -0.098 0.000 2.941 1091 F HA 0.413 4.939 4.527 -0.001 0.000 0.359 1091 F C 0.597 176.349 175.800 -0.081 0.000 1.231 1091 F CA -0.895 57.068 58.000 -0.060 0.000 1.089 1091 F CB 1.650 40.631 39.000 -0.031 0.000 1.407 1091 F HN 0.751 nan 8.300 nan 0.000 0.538 1092 L N -1.165 120.133 121.223 0.124 0.000 2.651 1092 L HA 0.038 4.377 4.340 -0.001 0.000 0.236 1092 L C 0.449 177.364 176.870 0.075 0.000 1.173 1092 L CA 2.201 57.069 54.840 0.046 0.000 0.843 1092 L CB 0.028 42.127 42.059 0.067 0.000 0.964 1092 L HN 0.670 nan 8.230 nan 0.000 0.454 1093 D N -1.399 119.064 120.400 0.105 0.000 1.262 1093 D HA 0.019 4.658 4.640 -0.001 0.000 0.732 1093 D C 1.373 177.698 176.300 0.043 0.000 0.888 1093 D CA 0.521 54.564 54.000 0.073 0.000 0.984 1093 D CB -0.715 40.128 40.800 0.071 0.000 2.704 1093 D HN 0.063 nan 8.370 nan 0.000 0.290 1094 G N -0.524 108.251 108.800 -0.041 0.000 3.581 1094 G HA2 0.446 4.406 3.960 -0.001 0.000 0.248 1094 G HA3 0.446 4.406 3.960 -0.001 0.000 0.248 1094 G C -0.789 173.779 174.900 -0.553 0.000 1.037 1094 G CA -0.204 44.786 45.100 -0.182 0.000 0.902 1094 G HN 0.203 nan 8.290 nan 0.000 0.512 1095 K N 0.748 120.709 120.400 -0.733 0.000 2.584 1095 K HA 0.288 4.607 4.320 -0.001 0.000 0.260 1095 K C -0.631 175.619 176.600 -0.584 0.000 0.949 1095 K CA -0.801 54.758 56.287 -1.213 0.000 0.888 1095 K CB 0.632 32.779 32.500 -0.590 0.000 1.330 1095 K HN 0.056 nan 8.250 nan 0.000 0.432 1096 E N 3.220 123.218 120.200 -0.336 0.000 0.804 1096 E HA -0.216 4.134 4.350 -0.001 0.000 0.289 1096 E C -0.290 176.489 176.600 0.299 0.000 0.679 1096 E CA 0.449 57.220 56.400 0.618 0.000 1.015 1096 E CB -0.227 29.712 29.700 0.398 0.000 0.772 1096 E HN 0.335 nan 8.360 nan 0.000 0.308 1097 I N 3.173 123.946 120.570 0.337 0.000 2.268 1097 I HA 0.001 4.171 4.170 -0.001 0.000 0.298 1097 I C 1.030 177.239 176.117 0.152 0.000 1.185 1097 I CA 0.886 62.287 61.300 0.169 0.000 1.548 1097 I CB -0.036 38.018 38.000 0.089 0.000 1.492 1097 I HN 0.503 nan 8.210 nan 0.000 0.711 1098 K N 3.670 124.158 120.400 0.146 0.000 3.152 1098 K HA 0.059 4.379 4.320 -0.001 0.000 0.247 1098 K C 0.053 176.708 176.600 0.092 0.000 2.313 1098 K CA 0.020 56.377 56.287 0.117 0.000 1.484 1098 K CB 0.291 32.877 32.500 0.142 0.000 2.590 1098 K HN 0.183 nan 8.250 nan 0.000 0.508 1099 Q N 2.417 122.270 119.800 0.089 0.000 2.523 1099 Q HA 0.472 4.811 4.340 -0.001 0.000 0.251 1099 Q C -1.646 174.375 176.000 0.034 0.000 1.033 1099 Q CA -0.685 55.143 55.803 0.041 0.000 0.746 1099 Q CB 1.075 29.815 28.738 0.003 0.000 1.189 1099 Q HN 0.297 nan 8.270 nan 0.000 0.508 1100 L N 2.904 124.167 121.223 0.067 0.000 2.466 1100 L HA 0.475 4.815 4.340 -0.001 0.000 0.258 1100 L C -1.113 175.840 176.870 0.137 0.000 0.973 1100 L CA -0.393 54.491 54.840 0.074 0.000 0.826 1100 L CB 2.146 44.282 42.059 0.128 0.000 1.372 1100 L HN 0.633 nan 8.230 nan 0.000 0.409 1101 N N 3.221 122.004 118.700 0.139 0.000 2.416 1101 N HA -0.051 4.688 4.740 -0.001 0.000 0.271 1101 N C 1.317 176.987 175.510 0.267 0.000 1.245 1101 N CA 0.872 54.055 53.050 0.221 0.000 0.940 1101 N CB 0.970 39.564 38.487 0.177 0.000 1.175 1101 N HN 0.756 nan 8.380 nan 0.000 0.483 1102 V N 4.507 124.567 119.914 0.244 0.000 2.236 1102 V HA -0.360 3.759 4.120 -0.001 0.000 0.255 1102 V C 2.237 178.408 176.094 0.129 0.000 1.068 1102 V CA 2.646 65.048 62.300 0.170 0.000 1.044 1102 V CB -0.649 31.260 31.823 0.143 0.000 0.653 1102 V HN 0.812 nan 8.190 nan 0.000 0.448 1103 Q N -1.013 118.847 119.800 0.100 0.000 2.152 1103 Q HA -0.275 4.064 4.340 -0.001 0.000 0.206 1103 Q C 1.729 177.788 176.000 0.098 0.000 0.985 1103 Q CA 2.985 58.829 55.803 0.069 0.000 0.863 1103 Q CB -0.681 28.081 28.738 0.039 0.000 0.904 1103 Q HN 0.906 nan 8.270 nan 0.000 0.422 1104 W N -0.608 120.691 121.300 -0.001 0.000 2.444 1104 W HA -0.093 4.566 4.660 -0.001 0.000 0.308 1104 W C 1.744 178.255 176.519 -0.013 0.000 1.183 1104 W CA 1.055 58.394 57.345 -0.009 0.000 1.340 1104 W CB -0.608 28.844 29.460 -0.012 0.000 1.138 1104 W HN 0.281 nan 8.180 nan 0.000 0.510 1105 L N 1.926 123.291 121.223 0.237 0.000 2.034 1105 L HA -0.256 4.083 4.340 -0.001 0.000 0.217 1105 L C 2.108 178.862 176.870 -0.193 0.000 1.077 1105 L CA 2.244 57.108 54.840 0.039 0.000 0.769 1105 L CB -0.936 41.198 42.059 0.125 0.000 0.890 1105 L HN 0.042 nan 8.230 nan 0.000 0.435 1106 R N -0.820 119.615 120.500 -0.109 0.000 2.313 1106 R HA 0.139 4.479 4.340 -0.001 0.000 0.199 1106 R C 2.120 178.315 176.300 -0.175 0.000 0.958 1106 R CA 0.487 56.519 56.100 -0.114 0.000 1.047 1106 R CB -0.360 29.934 30.300 -0.010 0.000 0.955 1106 R HN 0.542 nan 8.270 nan 0.000 0.481 1107 A N 1.080 123.712 122.820 -0.313 0.000 1.883 1107 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 1107 A C 0.832 178.213 177.584 -0.338 0.000 1.186 1107 A CA 1.109 52.937 52.037 -0.349 0.000 0.624 1107 A CB -0.007 18.619 19.000 -0.623 0.000 0.822 1107 A HN 0.211 nan 8.150 nan 0.000 0.444 1108 Q N -0.227 119.286 119.800 -0.478 0.000 2.360 1108 Q HA 0.615 4.955 4.340 -0.001 0.000 0.254 1108 Q C -0.764 175.117 176.000 -0.197 0.000 0.975 1108 Q CA 0.219 55.833 55.803 -0.316 0.000 0.912 1108 Q CB 1.201 29.698 28.738 -0.402 0.000 1.212 1108 Q HN 0.579 nan 8.270 nan 0.000 0.452 1109 L N -0.880 120.274 121.223 -0.115 0.000 2.722 1109 L HA 0.522 4.861 4.340 -0.001 0.000 0.244 1109 L C -0.484 176.357 176.870 -0.049 0.000 1.023 1109 L CA -0.949 53.840 54.840 -0.086 0.000 0.988 1109 L CB 0.322 42.325 42.059 -0.092 0.000 1.245 1109 L HN 0.613 nan 8.230 nan 0.000 0.508 1110 G N 2.971 111.750 108.800 -0.036 0.000 2.916 1110 G HA2 0.392 4.352 3.960 -0.001 0.000 0.280 1110 G HA3 0.392 4.352 3.960 -0.001 0.000 0.280 1110 G C -0.338 174.549 174.900 -0.020 0.000 0.758 1110 G CA -0.124 44.963 45.100 -0.021 0.000 1.993 1110 G HN 0.565 nan 8.290 nan 0.000 0.564 1111 I N 2.141 122.698 120.570 -0.022 0.000 2.385 1111 I HA 0.659 4.829 4.170 -0.001 0.000 0.294 1111 I C -0.609 175.496 176.117 -0.019 0.000 0.988 1111 I CA -0.764 60.527 61.300 -0.015 0.000 1.265 1111 I CB 1.830 39.828 38.000 -0.004 0.000 1.388 1111 I HN 0.096 nan 8.210 nan 0.000 0.480 1112 V N 6.352 126.260 119.914 -0.010 0.000 2.823 1112 V HA 0.458 4.577 4.120 -0.001 0.000 0.296 1112 V C -0.537 175.557 176.094 -0.001 0.000 1.250 1112 V CA -0.492 61.800 62.300 -0.013 0.000 0.939 1112 V CB 1.354 33.171 31.823 -0.010 0.000 1.062 1112 V HN 0.856 nan 8.190 nan 0.000 0.433 1113 S N 2.258 117.957 115.700 -0.002 0.000 2.751 1113 S HA 0.494 4.963 4.470 -0.001 0.000 0.310 1113 S C 0.685 175.288 174.600 0.004 0.000 1.128 1113 S CA -0.488 57.716 58.200 0.008 0.000 0.931 1113 S CB 1.965 65.175 63.200 0.017 0.000 1.177 1113 S HN 0.696 nan 8.310 nan 0.000 0.530 1114 Q N 0.867 120.672 119.800 0.008 0.000 1.880 1114 Q HA -0.204 4.136 4.340 -0.001 0.000 0.243 1114 Q C 0.214 176.215 176.000 0.001 0.000 1.047 1114 Q CA 1.873 57.680 55.803 0.007 0.000 0.893 1114 Q CB -0.978 27.764 28.738 0.006 0.000 0.999 1114 Q HN 0.719 nan 8.270 nan 0.000 0.419 1115 E N 2.736 122.935 120.200 -0.001 0.000 2.003 1115 E HA 0.101 4.450 4.350 -0.001 0.000 0.279 1115 E C -1.964 174.629 176.600 -0.012 0.000 1.132 1115 E CA -1.593 54.804 56.400 -0.005 0.000 0.888 1115 E CB 0.654 30.351 29.700 -0.005 0.000 1.056 1115 E HN 0.100 nan 8.360 nan 0.000 0.399 1116 P HA 0.262 nan 4.420 nan 0.000 0.336 1116 P C -0.496 176.788 177.300 -0.025 0.000 1.435 1116 P CA -0.335 62.750 63.100 -0.025 0.000 0.860 1116 P CB 0.553 32.241 31.700 -0.020 0.000 2.095 1117 I N -3.660 116.899 120.570 -0.019 0.000 1.634 1117 I HA 0.163 4.332 4.170 -0.001 0.000 0.315 1117 I C -2.390 173.745 176.117 0.030 0.000 3.092 1117 I CA -0.610 60.690 61.300 0.000 0.000 1.022 1117 I CB -0.222 37.768 38.000 -0.017 0.000 2.451 1117 I HN 0.172 nan 8.210 nan 0.000 0.689 1118 L N 5.503 126.779 121.223 0.088 0.000 2.549 1118 L HA 0.599 4.939 4.340 -0.001 0.000 0.259 1118 L C -0.812 176.187 176.870 0.215 0.000 0.934 1118 L CA -0.409 54.540 54.840 0.182 0.000 0.865 1118 L CB 0.837 43.000 42.059 0.174 0.000 1.352 1118 L HN 0.542 nan 8.230 nan 0.000 0.410 1119 F N 1.745 121.718 119.950 0.038 0.000 2.389 1119 F HA 0.345 4.872 4.527 -0.001 0.000 0.337 1119 F C 0.821 176.632 175.800 0.018 0.000 1.112 1119 F CA -1.172 56.844 58.000 0.026 0.000 1.192 1119 F CB 0.893 39.920 39.000 0.045 0.000 1.185 1119 F HN 0.847 nan 8.300 nan 0.000 0.552 1120 D N 2.478 122.610 120.400 -0.448 0.000 2.821 1120 D HA 0.018 4.658 4.640 -0.001 0.000 0.224 1120 D C -0.040 176.066 176.300 -0.325 0.000 1.071 1120 D CA 0.072 53.837 54.000 -0.391 0.000 1.182 1120 D CB -0.973 39.592 40.800 -0.392 0.000 1.161 1120 D HN 0.174 nan 8.370 nan 0.000 0.449 1121 C N 0.689 119.865 119.300 -0.207 0.000 2.354 1121 C HA 0.583 5.042 4.460 -0.001 0.000 0.381 1121 C C 1.012 175.929 174.990 -0.121 0.000 1.240 1121 C CA -0.851 58.078 59.018 -0.149 0.000 2.089 1121 C CB 1.299 28.967 27.740 -0.120 0.000 2.234 1121 C HN 0.655 nan 8.230 nan 0.000 0.544 1122 S N 0.851 116.494 115.700 -0.094 0.000 2.576 1122 S HA 0.129 4.599 4.470 -0.001 0.000 0.272 1122 S C 0.917 175.460 174.600 -0.095 0.000 1.352 1122 S CA -0.076 58.083 58.200 -0.068 0.000 1.021 1122 S CB 0.082 63.257 63.200 -0.042 0.000 0.887 1122 S HN 0.660 nan 8.310 nan 0.000 0.542 1123 I N -0.145 120.388 120.570 -0.062 0.000 2.454 1123 I HA 0.023 4.193 4.170 -0.001 0.000 0.254 1123 I C 2.285 178.322 176.117 -0.133 0.000 1.156 1123 I CA 1.464 62.715 61.300 -0.083 0.000 1.433 1123 I CB -1.464 36.526 38.000 -0.015 0.000 1.082 1123 I HN 0.711 nan 8.210 nan 0.000 0.432 1124 A N 0.779 123.529 122.820 -0.117 0.000 1.940 1124 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 1124 A C 2.256 179.667 177.584 -0.288 0.000 1.176 1124 A CA 1.892 53.760 52.037 -0.281 0.000 0.631 1124 A CB -0.582 18.261 19.000 -0.263 0.000 0.814 1124 A HN 0.527 nan 8.150 nan 0.000 0.446 1125 E N 0.101 120.170 120.200 -0.219 0.000 2.046 1125 E HA -0.112 4.237 4.350 -0.001 0.000 0.190 1125 E C 1.816 178.209 176.600 -0.345 0.000 0.982 1125 E CA 0.972 57.246 56.400 -0.209 0.000 0.800 1125 E CB -0.700 28.915 29.700 -0.141 0.000 0.756 1125 E HN 0.759 nan 8.360 nan 0.000 0.449 1126 N N 0.849 119.272 118.700 -0.462 0.000 2.000 1126 N HA -0.182 4.557 4.740 -0.001 0.000 0.198 1126 N C 2.138 177.012 175.510 -1.060 0.000 1.057 1126 N CA 1.488 53.929 53.050 -1.015 0.000 0.858 1126 N CB -0.302 37.832 38.487 -0.587 0.000 1.057 1126 N HN 0.024 nan 8.380 nan 0.000 0.423 1127 I N 1.317 121.608 120.570 -0.465 0.000 2.181 1127 I HA -0.366 3.804 4.170 -0.001 0.000 0.240 1127 I C 1.935 177.942 176.117 -0.184 0.000 1.006 1127 I CA 1.455 62.624 61.300 -0.218 0.000 1.284 1127 I CB -0.539 37.329 38.000 -0.220 0.000 0.990 1127 I HN 0.243 nan 8.210 nan 0.000 0.408 1128 A N -0.401 122.277 122.820 -0.237 0.000 2.253 1128 A HA -0.110 4.209 4.320 -0.001 0.000 0.203 1128 A C 0.211 177.797 177.584 0.003 0.000 1.272 1128 A CA -0.043 51.923 52.037 -0.118 0.000 0.847 1128 A CB -1.341 17.575 19.000 -0.139 0.000 0.772 1128 A HN 0.416 nan 8.150 nan 0.000 0.494 1129 Y N 0.377 120.744 120.300 0.112 0.000 2.705 1129 Y HA -0.040 4.510 4.550 -0.001 0.000 0.404 1129 Y C 1.669 177.790 175.900 0.369 0.000 1.302 1129 Y CA 0.545 58.838 58.100 0.322 0.000 1.705 1129 Y CB -0.540 38.044 38.460 0.206 0.000 1.165 1129 Y HN 0.331 nan 8.280 nan 0.000 0.489 1130 G N 3.306 112.376 108.800 0.450 0.000 2.946 1130 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.246 1130 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.246 1130 G C 0.842 175.669 174.900 -0.121 0.000 0.822 1130 G CA 0.239 45.363 45.100 0.041 0.000 1.943 1130 G HN 0.807 nan 8.290 nan 0.000 0.580 1131 D N 0.105 120.562 120.400 0.094 0.000 2.244 1131 D HA -0.175 4.464 4.640 -0.001 0.000 0.197 1131 D C 1.320 177.584 176.300 -0.059 0.000 1.006 1131 D CA 1.817 55.850 54.000 0.056 0.000 0.888 1131 D CB -0.109 40.746 40.800 0.091 0.000 0.912 1131 D HN 0.686 nan 8.370 nan 0.000 0.452 1132 N N -3.227 115.435 118.700 -0.064 0.000 3.267 1132 N HA -0.055 4.684 4.740 -0.001 0.000 0.355 1132 N C 0.540 176.022 175.510 -0.047 0.000 1.328 1132 N CA 0.079 53.088 53.050 -0.069 0.000 0.849 1132 N CB -0.118 38.348 38.487 -0.035 0.000 1.999 1132 N HN -0.149 nan 8.380 nan 0.000 0.396 1133 S N -1.231 114.451 115.700 -0.030 0.000 2.428 1133 S HA -0.228 4.241 4.470 -0.001 0.000 0.240 1133 S C 0.534 175.128 174.600 -0.010 0.000 1.036 1133 S CA 0.667 58.856 58.200 -0.018 0.000 1.009 1133 S CB -0.784 62.413 63.200 -0.005 0.000 0.803 1133 S HN 0.555 nan 8.310 nan 0.000 0.486 1134 R N 1.978 122.476 120.500 -0.003 0.000 2.955 1134 R HA 0.064 4.403 4.340 -0.001 0.000 0.334 1134 R C 0.162 176.463 176.300 0.002 0.000 0.778 1134 R CA 0.161 56.266 56.100 0.007 0.000 1.110 1134 R CB -1.206 29.105 30.300 0.018 0.000 0.889 1134 R HN 0.379 nan 8.270 nan 0.000 0.396 1135 V N 3.620 123.535 119.914 0.002 0.000 3.003 1135 V HA -0.006 4.113 4.120 -0.001 0.000 0.305 1135 V C 0.953 177.044 176.094 -0.005 0.000 1.078 1135 V CA -0.425 61.874 62.300 -0.001 0.000 1.083 1135 V CB 1.496 33.322 31.823 0.004 0.000 1.039 1135 V HN 0.540 nan 8.190 nan 0.000 0.481 1136 V N 5.818 125.723 119.914 -0.015 0.000 1.929 1136 V HA -0.017 4.103 4.120 -0.001 0.000 0.238 1136 V C 1.253 177.332 176.094 -0.025 0.000 1.719 1136 V CA 1.084 63.361 62.300 -0.039 0.000 1.654 1136 V CB -1.035 30.759 31.823 -0.049 0.000 1.574 1136 V HN 0.917 nan 8.190 nan 0.000 0.497 1137 S N 1.617 117.310 115.700 -0.011 0.000 2.780 1137 S HA -0.032 4.438 4.470 -0.001 0.000 0.339 1137 S C 0.963 175.573 174.600 0.016 0.000 1.183 1137 S CA -0.199 58.013 58.200 0.019 0.000 1.358 1137 S CB -0.305 62.905 63.200 0.018 0.000 1.167 1137 S HN 0.603 nan 8.310 nan 0.000 0.556 1138 Y N 5.125 125.387 120.300 -0.064 0.000 1.978 1138 Y HA -0.295 4.254 4.550 -0.001 0.000 0.247 1138 Y C 2.422 178.274 175.900 -0.080 0.000 1.102 1138 Y CA 2.745 60.789 58.100 -0.094 0.000 1.069 1138 Y CB -0.542 37.886 38.460 -0.053 0.000 0.954 1138 Y HN 0.829 nan 8.280 nan 0.000 0.488 1139 E N 0.093 120.521 120.200 0.379 0.000 2.253 1139 E HA -0.294 4.055 4.350 -0.001 0.000 0.202 1139 E C 1.851 178.514 176.600 0.104 0.000 1.014 1139 E CA 1.730 58.278 56.400 0.248 0.000 0.823 1139 E CB -0.705 29.092 29.700 0.161 0.000 0.736 1139 E HN 0.652 nan 8.360 nan 0.000 0.478 1140 E N 1.399 121.629 120.200 0.050 0.000 2.006 1140 E HA -0.130 4.220 4.350 -0.001 0.000 0.192 1140 E C 2.483 179.053 176.600 -0.049 0.000 0.993 1140 E CA 1.324 57.730 56.400 0.009 0.000 0.808 1140 E CB -0.293 29.408 29.700 0.002 0.000 0.764 1140 E HN 0.570 nan 8.360 nan 0.000 0.449 1141 I N -1.033 119.444 120.570 -0.156 0.000 2.502 1141 I HA -0.217 3.953 4.170 -0.001 0.000 0.258 1141 I C 2.046 177.996 176.117 -0.279 0.000 1.172 1141 I CA 0.996 62.123 61.300 -0.287 0.000 1.430 1141 I CB -0.367 37.306 38.000 -0.544 0.000 1.086 1141 I HN -0.125 nan 8.210 nan 0.000 0.440 1142 V N 1.328 121.142 119.914 -0.167 0.000 2.407 1142 V HA -0.153 3.967 4.120 -0.001 0.000 0.245 1142 V C 2.805 178.973 176.094 0.124 0.000 1.041 1142 V CA 1.887 64.221 62.300 0.057 0.000 1.040 1142 V CB -0.798 31.158 31.823 0.221 0.000 0.671 1142 V HN 0.405 nan 8.190 nan 0.000 0.455 1143 R N 1.332 121.881 120.500 0.082 0.000 2.083 1143 R HA -0.145 4.195 4.340 -0.001 0.000 0.237 1143 R C 2.132 178.478 176.300 0.077 0.000 1.137 1143 R CA 2.097 58.247 56.100 0.085 0.000 0.951 1143 R CB -1.127 29.207 30.300 0.056 0.000 0.851 1143 R HN 0.452 nan 8.270 nan 0.000 0.434 1144 A N 0.331 123.176 122.820 0.041 0.000 1.829 1144 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 1144 A C 2.397 180.023 177.584 0.070 0.000 1.207 1144 A CA 2.458 54.518 52.037 0.039 0.000 0.622 1144 A CB -1.589 17.414 19.000 0.005 0.000 0.846 1144 A HN 0.503 nan 8.150 nan 0.000 0.447 1145 A N -0.861 121.998 122.820 0.064 0.000 1.985 1145 A HA -0.293 4.027 4.320 -0.001 0.000 0.223 1145 A C 2.107 179.810 177.584 0.197 0.000 1.189 1145 A CA 2.389 54.483 52.037 0.095 0.000 0.658 1145 A CB -0.537 18.490 19.000 0.046 0.000 0.820 1145 A HN 0.465 nan 8.150 nan 0.000 0.464 1146 K N -0.771 119.780 120.400 0.252 0.000 1.969 1146 K HA -0.153 4.166 4.320 -0.001 0.000 0.220 1146 K C 1.919 178.608 176.600 0.149 0.000 1.040 1146 K CA 1.647 58.090 56.287 0.260 0.000 0.981 1146 K CB -0.800 31.820 32.500 0.200 0.000 0.746 1146 K HN 0.493 nan 8.250 nan 0.000 0.444 1147 E N 0.832 121.093 120.200 0.102 0.000 2.333 1147 E HA -0.094 4.255 4.350 -0.001 0.000 0.198 1147 E C 1.481 178.122 176.600 0.067 0.000 1.007 1147 E CA 1.077 57.519 56.400 0.070 0.000 0.845 1147 E CB -0.145 29.585 29.700 0.050 0.000 0.766 1147 E HN 0.357 nan 8.360 nan 0.000 0.507 1148 A N 0.729 123.597 122.820 0.079 0.000 1.898 1148 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 1148 A C 0.963 178.591 177.584 0.074 0.000 1.181 1148 A CA 1.439 53.516 52.037 0.066 0.000 0.620 1148 A CB -0.383 18.656 19.000 0.065 0.000 0.819 1148 A HN 0.528 nan 8.150 nan 0.000 0.442 1149 N N -2.989 115.778 118.700 0.110 0.000 2.882 1149 N HA -0.182 4.557 4.740 -0.001 0.000 0.249 1149 N C 0.325 175.919 175.510 0.140 0.000 1.079 1149 N CA 0.577 53.701 53.050 0.123 0.000 0.800 1149 N CB -1.118 37.420 38.487 0.085 0.000 1.124 1149 N HN 0.490 nan 8.380 nan 0.000 0.557 1150 I N -0.074 120.576 120.570 0.133 0.000 3.860 1150 I HA 0.075 4.244 4.170 -0.001 0.000 0.319 1150 I C 1.891 178.126 176.117 0.196 0.000 1.279 1150 I CA 0.726 62.091 61.300 0.109 0.000 1.220 1150 I CB -0.247 37.767 38.000 0.022 0.000 1.027 1150 I HN 0.238 nan 8.210 nan 0.000 0.428 1151 H N 1.101 120.237 119.070 0.110 0.000 2.457 1151 H HA -0.166 4.390 4.556 -0.001 0.000 0.297 1151 H C 1.703 177.071 175.328 0.066 0.000 1.092 1151 H CA 1.756 57.844 56.048 0.067 0.000 1.309 1151 H CB 0.121 29.919 29.762 0.060 0.000 1.382 1151 H HN 0.523 nan 8.280 nan 0.000 0.535 1152 Q N -1.207 118.760 119.800 0.279 0.000 2.248 1152 Q HA -0.166 4.173 4.340 -0.001 0.000 0.208 1152 Q C 1.728 177.782 176.000 0.089 0.000 0.984 1152 Q CA 1.504 57.407 55.803 0.167 0.000 0.875 1152 Q CB -0.108 28.740 28.738 0.183 0.000 0.910 1152 Q HN 0.387 nan 8.270 nan 0.000 0.433 1153 F N -1.020 118.941 119.950 0.018 0.000 2.530 1153 F HA 0.038 4.564 4.527 -0.001 0.000 0.292 1153 F C 1.675 177.439 175.800 -0.062 0.000 1.109 1153 F CA 0.062 58.052 58.000 -0.015 0.000 1.450 1153 F CB 0.100 39.091 39.000 -0.014 0.000 1.114 1153 F HN -0.014 nan 8.300 nan 0.000 0.560 1154 I N 0.238 120.856 120.570 0.079 0.000 2.315 1154 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 1154 I C 1.990 178.018 176.117 -0.148 0.000 1.117 1154 I CA 1.111 62.269 61.300 -0.235 0.000 1.404 1154 I CB -0.787 36.790 38.000 -0.704 0.000 1.071 1154 I HN 0.046 nan 8.210 nan 0.000 0.419 1155 D N 0.318 120.770 120.400 0.086 0.000 2.103 1155 D HA -0.167 4.473 4.640 -0.001 0.000 0.190 1155 D C 2.100 178.389 176.300 -0.019 0.000 0.997 1155 D CA 2.301 56.337 54.000 0.059 0.000 0.833 1155 D CB -0.192 40.626 40.800 0.029 0.000 0.961 1155 D HN 0.460 nan 8.370 nan 0.000 0.447 1156 S N 0.112 115.786 115.700 -0.043 0.000 3.049 1156 S HA 0.086 4.556 4.470 -0.001 0.000 0.182 1156 S C 0.578 175.146 174.600 -0.052 0.000 0.725 1156 S CA -0.559 57.610 58.200 -0.052 0.000 0.811 1156 S CB 0.091 63.251 63.200 -0.066 0.000 0.801 1156 S HN 0.050 nan 8.310 nan 0.000 0.627 1157 L N 3.760 124.940 121.223 -0.071 0.000 4.355 1157 L HA -0.061 4.279 4.340 -0.001 0.000 0.532 1157 L C -2.310 174.552 176.870 -0.014 0.000 0.971 1157 L CA 0.307 55.120 54.840 -0.044 0.000 0.563 1157 L CB -1.661 40.395 42.059 -0.004 0.000 0.785 1157 L HN 0.289 nan 8.230 nan 0.000 1.040 1158 P HA -0.159 nan 4.420 nan 0.000 0.268 1158 P C 0.699 178.004 177.300 0.007 0.000 1.140 1158 P CA 0.774 63.873 63.100 -0.001 0.000 0.751 1158 P CB 0.285 31.987 31.700 0.004 0.000 0.740 1159 D N 0.520 120.925 120.400 0.009 0.000 3.041 1159 D HA -0.247 4.393 4.640 -0.001 0.000 0.214 1159 D C 0.801 177.113 176.300 0.021 0.000 1.153 1159 D CA 1.973 55.984 54.000 0.020 0.000 0.972 1159 D CB -0.798 40.016 40.800 0.023 0.000 1.126 1159 D HN 0.597 nan 8.370 nan 0.000 0.400 1160 K N -2.274 118.122 120.400 -0.007 0.000 2.179 1160 K HA -0.336 3.984 4.320 -0.001 0.000 0.144 1160 K C 1.271 177.862 176.600 -0.016 0.000 1.469 1160 K CA 1.866 58.115 56.287 -0.064 0.000 0.623 1160 K CB -1.709 30.729 32.500 -0.103 0.000 0.552 1160 K HN 0.171 nan 8.250 nan 0.000 0.958 1161 Y N 1.273 121.557 120.300 -0.026 0.000 2.173 1161 Y HA -0.317 4.233 4.550 -0.001 0.000 0.282 1161 Y C 2.290 178.153 175.900 -0.062 0.000 1.192 1161 Y CA 1.427 59.481 58.100 -0.078 0.000 1.176 1161 Y CB -0.341 38.033 38.460 -0.142 0.000 0.969 1161 Y HN 0.368 nan 8.280 nan 0.000 0.519 1162 N N -0.244 118.537 118.700 0.136 0.000 2.364 1162 N HA -0.095 4.644 4.740 -0.001 0.000 0.183 1162 N C 0.376 175.908 175.510 0.036 0.000 1.022 1162 N CA 1.176 54.267 53.050 0.069 0.000 0.883 1162 N CB -0.646 37.880 38.487 0.065 0.000 0.965 1162 N HN 0.184 nan 8.380 nan 0.000 0.438 1163 T N 2.503 117.080 114.554 0.039 0.000 2.758 1163 T HA -0.035 4.315 4.350 -0.001 0.000 0.281 1163 T C 0.836 175.539 174.700 0.006 0.000 0.963 1163 T CA 0.033 62.147 62.100 0.023 0.000 1.201 1163 T CB 0.596 69.484 68.868 0.033 0.000 0.906 1163 T HN 0.196 nan 8.240 nan 0.000 0.528 1164 R N 2.698 123.192 120.500 -0.010 0.000 2.784 1164 R HA 0.102 4.442 4.340 -0.001 0.000 0.266 1164 R C 1.771 178.053 176.300 -0.030 0.000 1.044 1164 R CA -0.175 55.904 56.100 -0.035 0.000 1.151 1164 R CB 0.332 30.605 30.300 -0.044 0.000 1.037 1164 R HN 0.541 nan 8.270 nan 0.000 0.478 1165 V N 1.190 121.075 119.914 -0.047 0.000 2.982 1165 V HA 0.046 4.166 4.120 -0.001 0.000 0.265 1165 V C 0.886 176.969 176.094 -0.019 0.000 1.122 1165 V CA 1.048 63.330 62.300 -0.031 0.000 1.143 1165 V CB -1.600 30.204 31.823 -0.031 0.000 0.726 1165 V HN 1.091 nan 8.190 nan 0.000 0.507 1166 G N 0.986 109.770 108.800 -0.027 0.000 2.515 1166 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.208 1166 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.208 1166 G C 0.035 174.930 174.900 -0.009 0.000 0.737 1166 G CA 0.943 46.034 45.100 -0.015 0.000 0.987 1166 G HN 1.837 nan 8.290 nan 0.000 0.307 1167 D N 0.691 121.083 120.400 -0.014 0.000 2.947 1167 D HA -0.172 4.468 4.640 -0.001 0.000 0.224 1167 D C 1.063 177.372 176.300 0.015 0.000 1.132 1167 D CA 2.081 56.082 54.000 0.001 0.000 0.801 1167 D CB -0.977 39.828 40.800 0.009 0.000 1.097 1167 D HN 1.533 nan 8.370 nan 0.000 0.431 1168 K N -3.171 117.231 120.400 0.004 0.000 3.553 1168 K HA -0.110 4.209 4.320 -0.001 0.000 0.303 1168 K C 1.196 177.826 176.600 0.050 0.000 1.327 1168 K CA 1.914 58.229 56.287 0.048 0.000 0.983 1168 K CB -1.740 30.824 32.500 0.106 0.000 1.275 1168 K HN 0.919 nan 8.250 nan 0.000 0.453 1169 G N -1.526 107.287 108.800 0.022 0.000 3.432 1169 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.188 1169 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.188 1169 G C -0.108 174.799 174.900 0.011 0.000 2.301 1169 G CA -0.310 44.800 45.100 0.018 0.000 1.337 1169 G HN 0.179 nan 8.290 nan 0.000 0.406 1170 T N 2.731 117.294 114.554 0.016 0.000 2.397 1170 T HA 0.293 4.643 4.350 -0.001 0.000 0.222 1170 T C 0.916 175.626 174.700 0.017 0.000 1.150 1170 T CA 2.164 64.273 62.100 0.015 0.000 2.243 1170 T CB -0.810 68.068 68.868 0.017 0.000 1.078 1170 T HN 1.058 nan 8.240 nan 0.000 0.436 1171 Q N 1.677 121.488 119.800 0.019 0.000 1.345 1171 Q HA 0.201 4.540 4.340 -0.001 0.000 0.131 1171 Q C -0.646 175.379 176.000 0.042 0.000 0.763 1171 Q CA -0.390 55.432 55.803 0.032 0.000 0.628 1171 Q CB -0.208 28.548 28.738 0.031 0.000 1.136 1171 Q HN 0.483 nan 8.270 nan 0.000 0.323 1172 L N 1.437 122.670 121.223 0.016 0.000 2.611 1172 L HA 0.466 4.806 4.340 -0.001 0.000 0.260 1172 L C -0.509 176.339 176.870 -0.036 0.000 0.924 1172 L CA -0.882 53.950 54.840 -0.013 0.000 0.901 1172 L CB 2.202 44.201 42.059 -0.100 0.000 1.369 1172 L HN 0.197 nan 8.230 nan 0.000 0.415 1173 S N 1.065 116.750 115.700 -0.025 0.000 2.566 1173 S HA 0.109 4.578 4.470 -0.001 0.000 0.280 1173 S C 1.417 175.983 174.600 -0.056 0.000 1.343 1173 S CA 0.595 58.782 58.200 -0.020 0.000 1.036 1173 S CB 1.380 64.588 63.200 0.012 0.000 0.866 1173 S HN 0.836 nan 8.310 nan 0.000 0.526 1174 G N 3.329 112.110 108.800 -0.032 0.000 2.462 1174 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.220 1174 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.220 1174 G C 1.388 176.260 174.900 -0.046 0.000 1.121 1174 G CA 0.848 45.927 45.100 -0.034 0.000 0.758 1174 G HN 0.957 nan 8.290 nan 0.000 0.559 1175 G N 0.651 109.426 108.800 -0.041 0.000 2.514 1175 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.217 1175 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.217 1175 G C 1.792 176.641 174.900 -0.086 0.000 1.198 1175 G CA 1.399 46.477 45.100 -0.037 0.000 0.780 1175 G HN 0.478 nan 8.290 nan 0.000 0.565 1176 Q N 0.563 120.255 119.800 -0.181 0.000 2.096 1176 Q HA -0.006 4.334 4.340 -0.001 0.000 0.204 1176 Q C 2.518 178.387 176.000 -0.217 0.000 0.982 1176 Q CA 1.466 57.062 55.803 -0.344 0.000 0.850 1176 Q CB -0.238 28.010 28.738 -0.816 0.000 0.901 1176 Q HN 0.439 nan 8.270 nan 0.000 0.422 1177 K N 0.226 120.530 120.400 -0.159 0.000 2.015 1177 K HA -0.222 4.097 4.320 -0.001 0.000 0.216 1177 K C 2.148 178.716 176.600 -0.053 0.000 1.052 1177 K CA 1.475 57.709 56.287 -0.089 0.000 0.937 1177 K CB -0.212 32.254 32.500 -0.057 0.000 0.719 1177 K HN 0.216 nan 8.250 nan 0.000 0.446 1178 Q N 0.610 120.384 119.800 -0.044 0.000 2.197 1178 Q HA -0.160 4.180 4.340 -0.001 0.000 0.207 1178 Q C 2.057 178.048 176.000 -0.016 0.000 0.984 1178 Q CA 1.371 57.160 55.803 -0.022 0.000 0.869 1178 Q CB -0.269 28.460 28.738 -0.015 0.000 0.906 1178 Q HN 0.324 nan 8.270 nan 0.000 0.426 1179 R N 0.012 120.493 120.500 -0.032 0.000 2.083 1179 R HA -0.108 4.231 4.340 -0.001 0.000 0.237 1179 R C 2.452 178.752 176.300 0.000 0.000 1.137 1179 R CA 1.493 57.584 56.100 -0.014 0.000 0.951 1179 R CB -0.497 29.782 30.300 -0.034 0.000 0.851 1179 R HN 0.310 nan 8.270 nan 0.000 0.434 1180 I N 0.427 120.989 120.570 -0.013 0.000 2.142 1180 I HA -0.221 3.948 4.170 -0.001 0.000 0.240 1180 I C 2.707 178.865 176.117 0.069 0.000 1.078 1180 I CA 1.274 62.587 61.300 0.023 0.000 1.343 1180 I CB -0.816 37.193 38.000 0.015 0.000 1.046 1180 I HN 0.111 nan 8.210 nan 0.000 0.405 1181 A N 1.604 124.455 122.820 0.051 0.000 1.884 1181 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 1181 A C 2.234 179.836 177.584 0.029 0.000 1.197 1181 A CA 2.263 54.319 52.037 0.031 0.000 0.637 1181 A CB -1.017 17.976 19.000 -0.011 0.000 0.827 1181 A HN 0.357 nan 8.150 nan 0.000 0.450 1182 I N 0.017 120.600 120.570 0.022 0.000 2.208 1182 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 1182 I C 2.802 178.941 176.117 0.037 0.000 1.097 1182 I CA 1.119 62.433 61.300 0.022 0.000 1.363 1182 I CB -0.911 37.100 38.000 0.020 0.000 1.051 1182 I HN 0.386 nan 8.210 nan 0.000 0.413 1183 A N 0.446 123.295 122.820 0.048 0.000 1.844 1183 A HA -0.309 4.011 4.320 -0.001 0.000 0.214 1183 A C 2.427 180.054 177.584 0.073 0.000 1.217 1183 A CA 2.364 54.432 52.037 0.052 0.000 0.644 1183 A CB -1.038 17.989 19.000 0.046 0.000 0.850 1183 A HN 0.408 nan 8.150 nan 0.000 0.456 1184 R N -0.420 120.161 120.500 0.134 0.000 2.327 1184 R HA -0.359 3.981 4.340 -0.001 0.000 0.239 1184 R C 2.096 178.466 176.300 0.115 0.000 1.085 1184 R CA 3.006 59.244 56.100 0.230 0.000 0.890 1184 R CB -1.143 29.335 30.300 0.298 0.000 0.983 1184 R HN 0.567 nan 8.270 nan 0.000 0.419 1185 A N 1.221 124.076 122.820 0.058 0.000 1.829 1185 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 1185 A C 2.254 179.856 177.584 0.030 0.000 1.207 1185 A CA 1.956 54.011 52.037 0.029 0.000 0.622 1185 A CB -0.932 18.074 19.000 0.009 0.000 0.846 1185 A HN 0.555 nan 8.150 nan 0.000 0.447 1186 L N -0.792 120.446 121.223 0.026 0.000 2.651 1186 L HA -0.029 4.311 4.340 -0.001 0.000 0.236 1186 L C 1.581 178.466 176.870 0.026 0.000 1.173 1186 L CA 1.181 56.033 54.840 0.020 0.000 0.843 1186 L CB -1.372 40.698 42.059 0.019 0.000 0.964 1186 L HN 0.068 nan 8.230 nan 0.000 0.454 1187 V N -0.473 119.464 119.914 0.038 0.000 2.649 1187 V HA -0.024 4.096 4.120 -0.001 0.000 0.248 1187 V C 2.786 178.904 176.094 0.039 0.000 1.054 1187 V CA 1.402 63.724 62.300 0.036 0.000 1.073 1187 V CB -0.617 31.232 31.823 0.044 0.000 0.699 1187 V HN 0.502 nan 8.190 nan 0.000 0.463 1188 R N 0.046 120.573 120.500 0.045 0.000 2.189 1188 R HA -0.045 4.294 4.340 -0.001 0.000 0.218 1188 R C 0.382 176.698 176.300 0.028 0.000 1.074 1188 R CA 0.363 56.485 56.100 0.037 0.000 0.991 1188 R CB 0.091 30.410 30.300 0.032 0.000 0.883 1188 R HN 0.419 nan 8.270 nan 0.000 0.457 1189 Q N -0.667 119.148 119.800 0.025 0.000 2.459 1189 Q HA -0.142 4.198 4.340 -0.001 0.000 0.322 1189 Q C -2.222 173.806 176.000 0.048 0.000 1.427 1189 Q CA 0.530 56.347 55.803 0.022 0.000 0.861 1189 Q CB -1.285 27.473 28.738 0.033 0.000 1.137 1189 Q HN 0.356 nan 8.270 nan 0.000 0.394 1190 P HA 0.068 nan 4.420 nan 0.000 0.335 1190 P C 0.685 178.091 177.300 0.176 0.000 1.416 1190 P CA 0.388 63.534 63.100 0.076 0.000 0.828 1190 P CB 0.311 32.018 31.700 0.010 0.000 1.966 1191 H N -3.631 115.402 119.070 -0.061 0.000 3.420 1191 H HA 0.353 4.909 4.556 -0.001 0.000 0.226 1191 H C -0.191 175.113 175.328 -0.040 0.000 0.994 1191 H CA -0.152 55.872 56.048 -0.040 0.000 1.031 1191 H CB 0.366 30.106 29.762 -0.037 0.000 1.190 1191 H HN 0.056 nan 8.280 nan 0.000 0.686 1192 I N 1.440 122.047 120.570 0.061 0.000 2.957 1192 I HA 0.440 4.609 4.170 -0.001 0.000 0.310 1192 I C -1.303 174.807 176.117 -0.012 0.000 1.063 1192 I CA -0.961 60.344 61.300 0.009 0.000 1.033 1192 I CB 1.922 39.910 38.000 -0.020 0.000 1.230 1192 I HN 0.050 nan 8.210 nan 0.000 0.447 1193 L N 5.985 127.198 121.223 -0.017 0.000 2.455 1193 L HA 0.443 4.782 4.340 -0.001 0.000 0.264 1193 L C -1.303 175.558 176.870 -0.016 0.000 0.968 1193 L CA -0.744 54.086 54.840 -0.017 0.000 0.827 1193 L CB 2.504 44.558 42.059 -0.009 0.000 1.317 1193 L HN 0.391 nan 8.230 nan 0.000 0.407 1194 L N 4.731 125.944 121.223 -0.017 0.000 2.335 1194 L HA 0.332 4.672 4.340 -0.001 0.000 0.268 1194 L C -0.876 175.995 176.870 0.001 0.000 1.037 1194 L CA -0.639 54.196 54.840 -0.009 0.000 0.895 1194 L CB 1.070 43.117 42.059 -0.020 0.000 1.266 1194 L HN 0.320 nan 8.230 nan 0.000 0.439 1195 L N 2.699 123.927 121.223 0.008 0.000 2.397 1195 L HA 0.209 4.548 4.340 -0.001 0.000 0.263 1195 L C 0.518 177.401 176.870 0.020 0.000 1.136 1195 L CA 0.080 54.928 54.840 0.013 0.000 1.019 1195 L CB -0.058 42.009 42.059 0.015 0.000 1.352 1195 L HN 0.412 nan 8.230 nan 0.000 0.420 1196 D N 3.910 124.322 120.400 0.019 0.000 2.455 1196 D HA -0.005 4.634 4.640 -0.001 0.000 0.234 1196 D C 0.537 176.853 176.300 0.026 0.000 1.224 1196 D CA 0.157 54.171 54.000 0.024 0.000 0.999 1196 D CB 0.239 41.054 40.800 0.025 0.000 1.072 1196 D HN 0.581 nan 8.370 nan 0.000 0.514 1197 E N 1.022 121.243 120.200 0.034 0.000 2.670 1197 E HA -0.373 3.976 4.350 -0.001 0.000 0.257 1197 E C 1.294 177.912 176.600 0.031 0.000 1.186 1197 E CA 0.344 56.768 56.400 0.041 0.000 0.734 1197 E CB -1.109 28.618 29.700 0.046 0.000 1.325 1197 E HN 0.643 nan 8.360 nan 0.000 0.426 1198 A N 0.855 123.689 122.820 0.023 0.000 2.459 1198 A HA -0.337 3.983 4.320 -0.001 0.000 0.242 1198 A C 1.545 179.138 177.584 0.016 0.000 1.846 1198 A CA 2.627 54.673 52.037 0.015 0.000 1.011 1198 A CB -1.497 17.511 19.000 0.013 0.000 0.686 1198 A HN 0.692 nan 8.150 nan 0.000 0.510 1199 T N -2.751 111.813 114.554 0.017 0.000 2.840 1199 T HA 0.472 4.822 4.350 -0.001 0.000 0.276 1199 T C 0.102 174.816 174.700 0.023 0.000 0.912 1199 T CA 0.503 62.612 62.100 0.016 0.000 1.116 1199 T CB 0.968 69.844 68.868 0.014 0.000 0.895 1199 T HN 0.584 nan 8.240 nan 0.000 0.570 1200 S N 1.980 117.695 115.700 0.025 0.000 3.082 1200 S HA 0.597 5.066 4.470 -0.001 0.000 0.253 1200 S C -0.117 174.500 174.600 0.028 0.000 0.961 1200 S CA -0.037 58.185 58.200 0.036 0.000 1.129 1200 S CB -0.227 63.001 63.200 0.047 0.000 1.083 1200 S HN 1.229 nan 8.310 nan 0.000 0.605 1201 A N 1.261 124.092 122.820 0.019 0.000 2.330 1201 A HA 0.625 4.944 4.320 -0.001 0.000 0.303 1201 A C -1.163 176.427 177.584 0.011 0.000 1.150 1201 A CA -0.232 51.814 52.037 0.014 0.000 0.921 1201 A CB 0.010 19.017 19.000 0.012 0.000 1.462 1201 A HN 0.400 nan 8.150 nan 0.000 0.388 1202 L N 1.193 122.422 121.223 0.011 0.000 2.643 1202 L HA 0.808 5.148 4.340 -0.001 0.000 0.256 1202 L C -1.450 175.426 176.870 0.011 0.000 0.828 1202 L CA 0.738 55.584 54.840 0.010 0.000 1.186 1202 L CB 1.183 43.248 42.059 0.010 0.000 1.621 1202 L HN 0.943 nan 8.230 nan 0.000 0.368 1203 D N -3.184 117.223 120.400 0.012 0.000 2.809 1203 D HA 0.326 4.965 4.640 -0.001 0.000 0.336 1203 D C 0.304 176.612 176.300 0.013 0.000 1.367 1203 D CA 0.216 54.223 54.000 0.011 0.000 0.815 1203 D CB 0.157 40.964 40.800 0.012 0.000 1.381 1203 D HN 0.702 nan 8.370 nan 0.000 0.471 1204 T N -0.785 113.776 114.554 0.011 0.000 1.752 1204 T HA -0.439 3.911 4.350 -0.001 0.000 0.121 1204 T C 1.142 175.851 174.700 0.016 0.000 1.903 1204 T CA 2.714 64.822 62.100 0.012 0.000 0.871 1204 T CB -0.990 67.885 68.868 0.013 0.000 0.802 1204 T HN 0.554 nan 8.240 nan 0.000 0.396 1205 E N 0.192 120.405 120.200 0.022 0.000 2.502 1205 E HA 0.086 4.435 4.350 -0.001 0.000 0.194 1205 E C 2.266 178.886 176.600 0.034 0.000 1.062 1205 E CA 0.487 56.904 56.400 0.027 0.000 0.867 1205 E CB -0.002 29.718 29.700 0.032 0.000 0.888 1205 E HN 0.588 nan 8.360 nan 0.000 0.510 1206 S N 0.570 116.288 115.700 0.031 0.000 2.384 1206 S HA -0.036 4.433 4.470 -0.001 0.000 0.217 1206 S C 1.556 176.169 174.600 0.022 0.000 1.041 1206 S CA 0.205 58.423 58.200 0.030 0.000 0.948 1206 S CB -0.001 63.215 63.200 0.026 0.000 0.872 1206 S HN 0.219 nan 8.310 nan 0.000 0.512 1207 E N 2.134 122.345 120.200 0.018 0.000 2.012 1207 E HA -0.233 4.116 4.350 -0.001 0.000 0.211 1207 E C 2.077 178.686 176.600 0.016 0.000 1.029 1207 E CA 1.281 57.690 56.400 0.014 0.000 0.867 1207 E CB -0.270 29.436 29.700 0.011 0.000 0.790 1207 E HN 0.200 nan 8.360 nan 0.000 0.482 1208 K N 1.263 121.672 120.400 0.015 0.000 2.001 1208 K HA -0.255 4.065 4.320 -0.001 0.000 0.223 1208 K C 2.275 178.886 176.600 0.018 0.000 1.055 1208 K CA 1.990 58.286 56.287 0.014 0.000 0.965 1208 K CB -0.948 31.560 32.500 0.013 0.000 0.730 1208 K HN 0.188 nan 8.250 nan 0.000 0.449 1209 V N 1.267 121.195 119.914 0.023 0.000 2.363 1209 V HA -0.242 3.878 4.120 -0.001 0.000 0.254 1209 V C 2.436 178.546 176.094 0.027 0.000 1.074 1209 V CA 2.242 64.559 62.300 0.028 0.000 1.069 1209 V CB -0.167 31.680 31.823 0.039 0.000 0.659 1209 V HN 0.325 nan 8.190 nan 0.000 0.455 1210 V N -0.289 119.640 119.914 0.024 0.000 2.427 1210 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 1210 V C 2.569 178.674 176.094 0.019 0.000 1.051 1210 V CA 2.045 64.358 62.300 0.021 0.000 1.048 1210 V CB -0.719 31.114 31.823 0.016 0.000 0.666 1210 V HN 0.553 nan 8.190 nan 0.000 0.456 1211 Q N -0.363 119.447 119.800 0.018 0.000 2.291 1211 Q HA -0.163 4.176 4.340 -0.001 0.000 0.205 1211 Q C 2.266 178.276 176.000 0.016 0.000 0.970 1211 Q CA 1.052 56.864 55.803 0.016 0.000 0.876 1211 Q CB -0.180 28.567 28.738 0.015 0.000 0.935 1211 Q HN 0.682 nan 8.270 nan 0.000 0.455 1212 E N 0.218 120.428 120.200 0.018 0.000 2.112 1212 E HA -0.070 4.279 4.350 -0.001 0.000 0.190 1212 E C 1.585 178.197 176.600 0.020 0.000 0.979 1212 E CA 0.803 57.214 56.400 0.018 0.000 0.814 1212 E CB 0.258 29.970 29.700 0.019 0.000 0.762 1212 E HN 0.193 nan 8.360 nan 0.000 0.460 1213 A N 2.346 125.180 122.820 0.023 0.000 1.819 1213 A HA -0.145 4.174 4.320 -0.001 0.000 0.215 1213 A C 2.370 179.966 177.584 0.019 0.000 1.226 1213 A CA 1.295 53.346 52.037 0.025 0.000 0.608 1213 A CB -1.327 17.689 19.000 0.027 0.000 0.877 1213 A HN 0.390 nan 8.150 nan 0.000 0.452 1214 L N -0.400 120.833 121.223 0.017 0.000 2.171 1214 L HA -0.333 4.007 4.340 -0.001 0.000 0.216 1214 L C 2.021 178.898 176.870 0.012 0.000 1.084 1214 L CA 2.670 57.518 54.840 0.014 0.000 0.771 1214 L CB -0.464 41.603 42.059 0.014 0.000 0.890 1214 L HN 0.635 nan 8.230 nan 0.000 0.437 1215 D N -0.032 120.376 120.400 0.013 0.000 2.098 1215 D HA -0.209 4.430 4.640 -0.001 0.000 0.207 1215 D C 1.987 178.292 176.300 0.009 0.000 0.979 1215 D CA 1.457 55.463 54.000 0.011 0.000 0.878 1215 D CB -0.010 40.797 40.800 0.012 0.000 1.028 1215 D HN 0.069 nan 8.370 nan 0.000 0.452 1216 K N 0.092 120.498 120.400 0.010 0.000 2.442 1216 K HA -0.072 4.247 4.320 -0.001 0.000 0.199 1216 K C 1.811 178.414 176.600 0.005 0.000 1.044 1216 K CA 0.736 57.028 56.287 0.008 0.000 0.941 1216 K CB -0.180 32.328 32.500 0.012 0.000 0.759 1216 K HN 0.215 nan 8.250 nan 0.000 0.472 1217 A N 2.144 124.968 122.820 0.007 0.000 1.968 1217 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 1217 A C 1.553 179.133 177.584 -0.005 0.000 1.169 1217 A CA 0.646 52.685 52.037 0.003 0.000 0.638 1217 A CB -0.165 18.840 19.000 0.008 0.000 0.812 1217 A HN 0.279 nan 8.150 nan 0.000 0.446 1218 R N -1.376 119.123 120.500 -0.003 0.000 2.601 1218 R HA 0.363 4.703 4.340 -0.001 0.000 0.220 1218 R C 0.706 177.000 176.300 -0.010 0.000 1.329 1218 R CA 0.727 56.822 56.100 -0.007 0.000 1.043 1218 R CB 0.142 30.442 30.300 -0.000 0.000 1.807 1218 R HN 0.081 nan 8.270 nan 0.000 0.537 1219 E N -1.609 118.586 120.200 -0.009 0.000 4.205 1219 E HA -0.197 4.152 4.350 -0.001 0.000 0.310 1219 E C 0.941 177.530 176.600 -0.018 0.000 0.654 1219 E CA 2.242 58.637 56.400 -0.008 0.000 1.279 1219 E CB -1.747 27.951 29.700 -0.004 0.000 1.720 1219 E HN 0.907 nan 8.360 nan 0.000 0.403 1220 G N -0.221 108.562 108.800 -0.028 0.000 2.683 1220 G HA2 0.102 4.062 3.960 -0.001 0.000 0.213 1220 G HA3 0.102 4.062 3.960 -0.001 0.000 0.213 1220 G C 0.554 175.410 174.900 -0.072 0.000 1.142 1220 G CA 0.471 45.544 45.100 -0.045 0.000 0.793 1220 G HN 0.364 nan 8.290 nan 0.000 0.534 1221 R N -0.746 119.720 120.500 -0.056 0.000 2.716 1221 R HA 0.321 4.660 4.340 -0.001 0.000 0.271 1221 R C -1.488 174.798 176.300 -0.022 0.000 1.028 1221 R CA -0.593 55.471 56.100 -0.060 0.000 0.883 1221 R CB -0.484 29.761 30.300 -0.092 0.000 1.250 1221 R HN -0.134 nan 8.270 nan 0.000 0.465 1222 T N 1.369 115.921 114.554 -0.004 0.000 2.930 1222 T HA 0.379 4.728 4.350 -0.001 0.000 0.306 1222 T C 0.062 174.761 174.700 -0.002 0.000 1.045 1222 T CA 0.458 62.560 62.100 0.003 0.000 1.134 1222 T CB -0.379 68.496 68.868 0.013 0.000 0.961 1222 T HN 0.743 nan 8.240 nan 0.000 0.545 1223 C N 2.983 122.282 119.300 -0.002 0.000 2.871 1223 C HA 0.572 5.032 4.460 -0.001 0.000 0.378 1223 C C -0.640 174.352 174.990 0.003 0.000 1.052 1223 C CA -1.361 57.656 59.018 -0.003 0.000 1.250 1223 C CB -0.566 27.172 27.740 -0.002 0.000 1.689 1223 C HN 0.860 nan 8.230 nan 0.000 0.506 1224 I N 3.566 124.138 120.570 0.002 0.000 2.281 1224 I HA 0.305 4.475 4.170 -0.001 0.000 0.293 1224 I C 0.371 176.498 176.117 0.018 0.000 1.085 1224 I CA -0.146 61.162 61.300 0.012 0.000 1.257 1224 I CB 1.055 39.065 38.000 0.016 0.000 1.430 1224 I HN 0.658 nan 8.210 nan 0.000 0.489 1225 V N 9.022 128.949 119.914 0.023 0.000 2.368 1225 V HA 0.417 4.536 4.120 -0.001 0.000 0.266 1225 V C -0.083 176.033 176.094 0.037 0.000 1.045 1225 V CA -0.389 61.928 62.300 0.027 0.000 0.899 1225 V CB 0.921 32.761 31.823 0.027 0.000 1.006 1225 V HN 0.595 nan 8.190 nan 0.000 0.470 1226 I N 5.669 126.263 120.570 0.040 0.000 2.603 1226 I HA 1.067 5.236 4.170 -0.001 0.000 0.300 1226 I C -0.266 175.885 176.117 0.056 0.000 1.017 1226 I CA -0.125 61.205 61.300 0.050 0.000 1.098 1226 I CB 1.847 39.874 38.000 0.046 0.000 1.279 1226 I HN 0.817 nan 8.210 nan 0.000 0.437 1227 A N 3.237 126.102 122.820 0.074 0.000 2.483 1227 A HA 0.553 4.872 4.320 -0.001 0.000 0.294 1227 A C -0.943 176.727 177.584 0.144 0.000 1.077 1227 A CA -0.432 51.660 52.037 0.090 0.000 0.633 1227 A CB 0.476 19.518 19.000 0.069 0.000 1.318 1227 A HN 0.906 nan 8.150 nan 0.000 0.455 1228 H N -0.151 118.929 119.070 0.017 0.000 2.592 1228 H HA 0.339 4.894 4.556 -0.001 0.000 0.279 1228 H C 0.205 175.538 175.328 0.009 0.000 1.089 1228 H CA 0.045 56.100 56.048 0.011 0.000 1.150 1228 H CB 0.324 30.089 29.762 0.005 0.000 1.575 1228 H HN 0.303 nan 8.280 nan 0.000 0.547 1229 R N 2.005 122.500 120.500 -0.008 0.000 4.496 1229 R HA 0.077 4.416 4.340 -0.001 0.000 0.211 1229 R C 1.005 177.277 176.300 -0.046 0.000 1.738 1229 R CA -0.113 55.959 56.100 -0.047 0.000 1.528 1229 R CB -0.931 29.370 30.300 0.001 0.000 1.414 1229 R HN 0.510 nan 8.270 nan 0.000 0.812 1230 L N -1.080 120.071 121.223 -0.120 0.000 2.211 1230 L HA -0.306 4.033 4.340 -0.001 0.000 0.216 1230 L C 2.062 178.917 176.870 -0.025 0.000 1.092 1230 L CA 1.776 56.561 54.840 -0.091 0.000 0.767 1230 L CB -1.056 40.888 42.059 -0.193 0.000 0.894 1230 L HN 0.256 nan 8.230 nan 0.000 0.437 1231 S N 0.150 115.831 115.700 -0.033 0.000 2.317 1231 S HA -0.138 4.332 4.470 -0.001 0.000 0.212 1231 S C 1.944 176.564 174.600 0.035 0.000 1.030 1231 S CA 0.965 59.165 58.200 -0.000 0.000 0.970 1231 S CB -1.289 61.894 63.200 -0.029 0.000 0.928 1231 S HN 0.542 nan 8.310 nan 0.000 0.451 1232 T N -0.509 114.057 114.554 0.020 0.000 3.227 1232 T HA 0.196 4.546 4.350 -0.001 0.000 0.257 1232 T C 1.308 176.040 174.700 0.054 0.000 1.162 1232 T CA 0.435 62.552 62.100 0.029 0.000 1.051 1232 T CB -0.678 68.200 68.868 0.017 0.000 0.953 1232 T HN 0.326 nan 8.240 nan 0.000 0.535 1233 I N 0.713 121.332 120.570 0.083 0.000 3.111 1233 I HA 0.037 4.206 4.170 -0.001 0.000 0.272 1233 I C 2.330 178.540 176.117 0.156 0.000 1.268 1233 I CA 0.673 62.037 61.300 0.107 0.000 1.467 1233 I CB -0.343 37.728 38.000 0.119 0.000 1.087 1233 I HN 0.228 nan 8.210 nan 0.000 0.467 1234 Q N 1.178 121.098 119.800 0.200 0.000 2.173 1234 Q HA -0.211 4.129 4.340 -0.001 0.000 0.208 1234 Q C 0.617 176.695 176.000 0.129 0.000 0.989 1234 Q CA 1.546 57.497 55.803 0.247 0.000 0.872 1234 Q CB -0.626 28.135 28.738 0.038 0.000 0.909 1234 Q HN 0.694 nan 8.270 nan 0.000 0.420 1235 N N 0.457 119.201 118.700 0.073 0.000 2.906 1235 N HA 0.169 4.909 4.740 -0.001 0.000 0.282 1235 N C -0.779 174.761 175.510 0.049 0.000 1.293 1235 N CA 0.226 53.304 53.050 0.046 0.000 1.059 1235 N CB 0.174 38.678 38.487 0.029 0.000 1.388 1235 N HN 0.036 nan 8.380 nan 0.000 0.533 1236 A N 0.029 122.887 122.820 0.065 0.000 2.320 1236 A HA 0.446 4.766 4.320 -0.001 0.000 0.334 1236 A C 0.154 177.759 177.584 0.035 0.000 1.147 1236 A CA -0.695 51.371 52.037 0.048 0.000 0.820 1236 A CB 1.206 20.238 19.000 0.053 0.000 1.218 1236 A HN 0.072 nan 8.150 nan 0.000 0.482 1237 D N -0.073 120.340 120.400 0.023 0.000 2.107 1237 D HA 0.073 4.713 4.640 -0.001 0.000 0.204 1237 D C 0.091 176.399 176.300 0.013 0.000 0.978 1237 D CA 1.419 55.429 54.000 0.017 0.000 0.852 1237 D CB -0.010 40.797 40.800 0.011 0.000 1.008 1237 D HN 0.309 nan 8.370 nan 0.000 0.458 1238 L N 0.847 122.073 121.223 0.006 0.000 2.345 1238 L HA 0.369 4.709 4.340 -0.001 0.000 0.274 1238 L C -1.530 175.338 176.870 -0.004 0.000 0.999 1238 L CA -0.634 54.206 54.840 -0.000 0.000 0.849 1238 L CB 1.147 43.193 42.059 -0.021 0.000 1.220 1238 L HN -0.202 nan 8.230 nan 0.000 0.422 1239 I N 6.283 126.843 120.570 -0.017 0.000 2.301 1239 I HA 0.341 4.510 4.170 -0.001 0.000 0.292 1239 I C -0.115 175.987 176.117 -0.024 0.000 1.046 1239 I CA -0.164 61.113 61.300 -0.039 0.000 1.282 1239 I CB 1.284 39.207 38.000 -0.128 0.000 1.409 1239 I HN 0.233 nan 8.210 nan 0.000 0.484 1240 V N 7.193 127.117 119.914 0.017 0.000 2.435 1240 V HA 0.413 4.532 4.120 -0.001 0.000 0.290 1240 V C -0.008 176.123 176.094 0.062 0.000 1.030 1240 V CA -0.801 61.532 62.300 0.056 0.000 0.881 1240 V CB 1.931 33.778 31.823 0.039 0.000 0.983 1240 V HN 0.357 nan 8.190 nan 0.000 0.445 1241 V N 6.405 126.365 119.914 0.076 0.000 2.311 1241 V HA 0.408 4.528 4.120 -0.001 0.000 0.275 1241 V C -0.152 175.989 176.094 0.079 0.000 1.022 1241 V CA -0.349 62.009 62.300 0.096 0.000 0.830 1241 V CB 1.123 33.019 31.823 0.123 0.000 1.012 1241 V HN 0.723 nan 8.190 nan 0.000 0.452 1242 I N 4.227 124.837 120.570 0.066 0.000 2.437 1242 I HA 0.567 4.737 4.170 -0.001 0.000 0.298 1242 I C -0.129 176.012 176.117 0.040 0.000 0.984 1242 I CA -0.187 61.141 61.300 0.046 0.000 1.214 1242 I CB 1.775 39.794 38.000 0.032 0.000 1.365 1242 I HN 0.638 nan 8.210 nan 0.000 0.469 1243 Q N 5.938 125.756 119.800 0.029 0.000 2.506 1243 Q HA 0.377 4.717 4.340 -0.001 0.000 0.242 1243 Q C -0.819 175.187 176.000 0.010 0.000 1.060 1243 Q CA -0.226 55.591 55.803 0.022 0.000 0.826 1243 Q CB 0.018 28.769 28.738 0.022 0.000 1.169 1243 Q HN 0.651 nan 8.270 nan 0.000 0.521 1244 N N 3.095 121.799 118.700 0.006 0.000 2.594 1244 N HA -0.281 4.459 4.740 -0.001 0.000 0.331 1244 N C 0.717 176.223 175.510 -0.007 0.000 1.147 1244 N CA 1.919 54.968 53.050 -0.002 0.000 0.757 1244 N CB -0.183 38.301 38.487 -0.005 0.000 1.015 1244 N HN 1.008 nan 8.380 nan 0.000 0.574 1245 G N 1.323 110.116 108.800 -0.012 0.000 2.345 1245 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.218 1245 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.218 1245 G C -0.535 174.354 174.900 -0.018 0.000 1.058 1245 G CA 0.699 45.788 45.100 -0.018 0.000 0.632 1245 G HN 0.691 nan 8.290 nan 0.000 0.508 1246 K N 0.236 120.631 120.400 -0.008 0.000 2.482 1246 K HA 0.744 5.063 4.320 -0.001 0.000 0.251 1246 K C -0.551 176.055 176.600 0.011 0.000 0.936 1246 K CA -0.702 55.583 56.287 -0.002 0.000 0.791 1246 K CB 2.867 35.367 32.500 0.001 0.000 1.213 1246 K HN 0.846 nan 8.250 nan 0.000 0.428 1247 V N 3.341 123.265 119.914 0.017 0.000 2.455 1247 V HA 0.230 4.350 4.120 -0.001 0.000 0.273 1247 V C 0.483 176.608 176.094 0.051 0.000 1.045 1247 V CA 0.268 62.591 62.300 0.039 0.000 0.976 1247 V CB 0.995 32.844 31.823 0.044 0.000 0.993 1247 V HN 0.889 nan 8.190 nan 0.000 0.475 1248 K N 4.607 125.039 120.400 0.052 0.000 2.350 1248 K HA 0.370 4.689 4.320 -0.001 0.000 0.196 1248 K C 0.651 177.271 176.600 0.033 0.000 1.084 1248 K CA 0.393 56.705 56.287 0.041 0.000 0.967 1248 K CB 0.422 32.941 32.500 0.032 0.000 0.950 1248 K HN 0.847 nan 8.250 nan 0.000 0.512 1249 E N -0.939 119.288 120.200 0.046 0.000 2.423 1249 E HA 0.317 4.666 4.350 -0.001 0.000 0.269 1249 E C -1.412 175.217 176.600 0.048 0.000 0.948 1249 E CA -0.979 55.416 56.400 -0.009 0.000 0.802 1249 E CB 1.790 31.490 29.700 0.001 0.000 1.339 1249 E HN 0.338 nan 8.360 nan 0.000 0.445 1250 H N -1.846 117.186 119.070 -0.063 0.000 2.895 1250 H HA 0.504 5.059 4.556 -0.001 0.000 0.254 1250 H C -0.419 174.853 175.328 -0.094 0.000 1.361 1250 H CA -0.291 55.706 56.048 -0.085 0.000 1.396 1250 H CB 0.225 29.961 29.762 -0.043 0.000 1.848 1250 H HN 0.854 nan 8.280 nan 0.000 0.468 1251 G N -0.344 108.566 108.800 0.184 0.000 2.260 1251 G HA2 0.384 4.344 3.960 -0.001 0.000 0.250 1251 G HA3 0.384 4.344 3.960 -0.001 0.000 0.250 1251 G C -0.639 174.254 174.900 -0.012 0.000 1.340 1251 G CA -0.118 45.046 45.100 0.107 0.000 1.056 1251 G HN 1.183 nan 8.290 nan 0.000 0.471 1252 T N -1.288 113.251 114.554 -0.025 0.000 2.874 1252 T HA 0.443 4.792 4.350 -0.001 0.000 0.281 1252 T C 1.481 176.147 174.700 -0.056 0.000 0.994 1252 T CA 0.698 62.787 62.100 -0.019 0.000 1.015 1252 T CB 0.813 69.692 68.868 0.018 0.000 1.028 1252 T HN 0.688 nan 8.240 nan 0.000 0.523 1253 H N 2.088 121.101 119.070 -0.095 0.000 2.287 1253 H HA -0.144 4.412 4.556 -0.001 0.000 0.292 1253 H C 2.295 177.589 175.328 -0.057 0.000 1.068 1253 H CA 2.943 58.934 56.048 -0.094 0.000 1.192 1253 H CB -0.232 29.530 29.762 0.001 0.000 1.360 1253 H HN 0.769 nan 8.280 nan 0.000 0.516 1254 Q N 0.990 120.921 119.800 0.219 0.000 2.234 1254 Q HA -0.195 4.144 4.340 -0.001 0.000 0.206 1254 Q C 2.162 178.203 176.000 0.070 0.000 0.980 1254 Q CA 1.771 57.656 55.803 0.137 0.000 0.869 1254 Q CB -0.789 27.991 28.738 0.070 0.000 0.912 1254 Q HN 0.650 nan 8.270 nan 0.000 0.436 1255 Q N 0.121 119.937 119.800 0.025 0.000 2.119 1255 Q HA -0.009 4.331 4.340 -0.001 0.000 0.201 1255 Q C 2.354 178.333 176.000 -0.036 0.000 0.972 1255 Q CA 0.913 56.712 55.803 -0.006 0.000 0.847 1255 Q CB 0.082 28.807 28.738 -0.022 0.000 0.903 1255 Q HN 0.477 nan 8.270 nan 0.000 0.433 1256 L N 0.069 121.228 121.223 -0.108 0.000 2.056 1256 L HA -0.191 4.149 4.340 -0.001 0.000 0.207 1256 L C 2.380 179.268 176.870 0.030 0.000 1.078 1256 L CA 0.504 55.233 54.840 -0.185 0.000 0.749 1256 L CB -0.352 41.302 42.059 -0.675 0.000 0.901 1256 L HN 0.310 nan 8.230 nan 0.000 0.433 1257 L N 0.164 121.450 121.223 0.106 0.000 2.083 1257 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 1257 L C 2.652 179.648 176.870 0.210 0.000 1.083 1257 L CA 1.871 56.823 54.840 0.186 0.000 0.752 1257 L CB -0.696 41.426 42.059 0.106 0.000 0.899 1257 L HN 0.159 nan 8.230 nan 0.000 0.433 1258 A N -1.030 121.864 122.820 0.123 0.000 1.927 1258 A HA -0.280 4.040 4.320 -0.001 0.000 0.220 1258 A C 1.764 179.414 177.584 0.110 0.000 1.185 1258 A CA 1.626 53.725 52.037 0.102 0.000 0.639 1258 A CB -0.729 18.302 19.000 0.052 0.000 0.820 1258 A HN 0.572 nan 8.150 nan 0.000 0.451 1259 Q N 0.711 120.564 119.800 0.090 0.000 3.223 1259 Q HA 0.215 4.555 4.340 -0.001 0.000 0.299 1259 Q C -0.763 175.327 176.000 0.150 0.000 1.385 1259 Q CA -0.016 55.831 55.803 0.073 0.000 0.942 1259 Q CB -0.292 28.455 28.738 0.016 0.000 1.748 1259 Q HN 0.399 nan 8.270 nan 0.000 0.523 1260 K N 0.457 120.971 120.400 0.190 0.000 2.473 1260 K HA 0.250 4.570 4.320 -0.001 0.000 0.277 1260 K C 0.760 177.375 176.600 0.025 0.000 1.052 1260 K CA 0.871 57.283 56.287 0.209 0.000 1.114 1260 K CB 0.265 32.750 32.500 -0.025 0.000 0.869 1260 K HN 0.528 nan 8.250 nan 0.000 0.481 1261 G N 1.369 110.210 108.800 0.069 0.000 2.419 1261 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.061 1261 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.061 1261 G C 0.337 175.299 174.900 0.102 0.000 0.907 1261 G CA -0.348 44.762 45.100 0.016 0.000 1.174 1261 G HN 0.327 nan 8.290 nan 0.000 0.468 1262 I N 0.470 121.103 120.570 0.105 0.000 2.036 1262 I HA -0.032 4.138 4.170 -0.001 0.000 0.231 1262 I C 2.368 178.588 176.117 0.173 0.000 1.044 1262 I CA 2.171 63.540 61.300 0.114 0.000 1.315 1262 I CB -0.950 37.107 38.000 0.095 0.000 1.051 1262 I HN 0.474 nan 8.210 nan 0.000 0.391 1263 Y N 0.365 120.706 120.300 0.067 0.000 2.228 1263 Y HA -0.374 4.176 4.550 -0.001 0.000 0.285 1263 Y C 2.435 178.384 175.900 0.081 0.000 1.178 1263 Y CA 1.584 59.708 58.100 0.040 0.000 1.202 1263 Y CB -0.460 37.992 38.460 -0.015 0.000 0.974 1263 Y HN 0.163 nan 8.280 nan 0.000 0.527 1264 F N 0.005 119.998 119.950 0.072 0.000 2.026 1264 F HA -0.235 4.291 4.527 -0.001 0.000 0.296 1264 F C 2.904 178.659 175.800 -0.075 0.000 1.133 1264 F CA 2.086 60.090 58.000 0.005 0.000 1.188 1264 F CB -1.397 37.633 39.000 0.049 0.000 0.968 1264 F HN 0.064 nan 8.300 nan 0.000 0.476 1265 S N 0.081 116.003 115.700 0.371 0.000 2.392 1265 S HA -0.266 4.204 4.470 -0.001 0.000 0.232 1265 S C 2.166 176.803 174.600 0.061 0.000 1.041 1265 S CA 1.772 60.090 58.200 0.197 0.000 1.026 1265 S CB -0.380 62.875 63.200 0.092 0.000 0.845 1265 S HN 0.393 nan 8.310 nan 0.000 0.465 1266 M N 0.728 120.309 119.600 -0.031 0.000 2.117 1266 M HA -0.077 4.403 4.480 -0.001 0.000 0.262 1266 M C 2.149 178.330 176.300 -0.199 0.000 1.065 1266 M CA 1.335 56.559 55.300 -0.127 0.000 1.114 1266 M CB -1.162 31.309 32.600 -0.216 0.000 1.361 1266 M HN 0.323 nan 8.290 nan 0.000 0.408 1267 V N -0.683 119.051 119.914 -0.301 0.000 2.591 1267 V HA -0.115 4.005 4.120 -0.001 0.000 0.249 1267 V C 2.375 178.375 176.094 -0.157 0.000 1.053 1267 V CA 1.603 63.733 62.300 -0.285 0.000 1.068 1267 V CB -1.394 30.203 31.823 -0.377 0.000 0.689 1267 V HN 0.505 nan 8.190 nan 0.000 0.462 1268 S N -0.104 115.554 115.700 -0.070 0.000 2.481 1268 S HA -0.034 4.435 4.470 -0.001 0.000 0.231 1268 S C 1.838 176.452 174.600 0.023 0.000 0.996 1268 S CA 1.194 59.416 58.200 0.036 0.000 0.942 1268 S CB 0.184 63.544 63.200 0.267 0.000 0.768 1268 S HN 0.365 nan 8.310 nan 0.000 0.520 1269 V N 1.495 121.407 119.914 -0.002 0.000 2.825 1269 V HA 0.001 4.120 4.120 -0.001 0.000 0.246 1269 V C 2.613 178.689 176.094 -0.031 0.000 1.068 1269 V CA 1.519 63.816 62.300 -0.006 0.000 1.088 1269 V CB -0.270 31.552 31.823 -0.002 0.000 0.733 1269 V HN 0.656 nan 8.190 nan 0.000 0.468 1270 Q N 0.924 120.686 119.800 -0.064 0.000 2.181 1270 Q HA -0.009 4.330 4.340 -0.001 0.000 0.205 1270 Q C 1.043 177.007 176.000 -0.060 0.000 0.980 1270 Q CA 1.303 57.056 55.803 -0.082 0.000 0.862 1270 Q CB -0.277 28.390 28.738 -0.118 0.000 0.905 1270 Q HN 0.912 nan 8.270 nan 0.000 0.429 1271 A N 0.000 122.790 122.820 -0.049 0.000 2.254 1271 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 1271 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 1271 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 1271 A HN 0.000 nan 8.150 nan 0.000 0.486