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 2jgd_1_B DATA FIRST_RESID 85 DATA SEQUENCE TNVKQVKVLQ LINAYRFRGH QHANLDPLGL WXXXKVADLD PSFHDLTEAD DATA SEQUENCE FQETFNVGSF ASGKETMKLG ELLEALKQTY CGPIGAEYMH ITSTEEKRWI DATA SEQUENCE QQRIESGRAT FNSEEKKRFL SELTAAEGLE RYLGAKFPXX XRFSLEGGDA DATA SEQUENCE LIPMLKEMIR HAGNSGTREV VLGMAHRGRL NVLVNVLGKK PQDLFDEFAG DATA SEQUENCE KHXXXXGTGD VKYHMGFSSD FQTDGGLVHL ALAFNPSHLE IVSPVVIGSV DATA SEQUENCE RARLDRLDEP SSNKVLPITI HGDAAVTGQG VVQETLNMSK ARGYEVGGTV DATA SEQUENCE RIVINNQXXX XXXXXXXXXX XXYCTDIGKM VQAPIFHVNA DDPEAVAFVT DATA SEQUENCE RLALDFRNTF KRDVFIDLVC YRRHXXXXXX XXXXXXXXXY QKIKKHPTPR DATA SEQUENCE KIYADKLEQE KVATLEDATE MVNLYRDALD AGDCVVAEWR PMNMHSFTWS DATA SEQUENCE PYLNHEWDEE YPNKVEMKRL QELAKRISTV PEAVEMQSRV AKIYADRQAM DATA SEQUENCE AAGEKLFDWG GAENLAYATL VDEGIPVRLS GEDSGRGTFF HRHAVIHNQS DATA SEQUENCE NGSTYTPLQH IHNGQGAFRV WDSXXSEEAV LAFEYGYATA EPRTLTIWEA DATA SEQUENCE QFGDFANGAQ VVIDQFISSG EQKWGRMCGL VMLLPHGYEG QGPEHSSARL DATA SEQUENCE ERYLQLCAEQ NMQVCVPSTP AQVYHMLRRQ ALRGMRRPLV VMSPKSLLRH DATA SEQUENCE PLAVSSLEEL ANGTFLPAIG EIDELDPKGV KRVVMCSGKV YYDLLEQRRK DATA SEQUENCE NNQHDVAIVR IEQLYPFPHK AMQEVLQQFA HVKDFVWCQE EPLNQGAWYC DATA SEQUENCE SQHHFREVIP FGASLRYAGR PASASPAVGY MSVHQKQQQD LVNDALNVE 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 85 T HA 0.000 nan 4.350 nan 0.000 0.228 85 T C 0.000 174.791 174.700 0.152 0.000 1.109 85 T CA 0.000 62.184 62.100 0.139 0.000 1.349 85 T CB 0.000 68.925 68.868 0.095 0.000 0.612 86 N N 1.379 120.137 118.700 0.097 0.000 2.120 86 N HA -0.003 4.743 4.740 0.009 0.000 0.188 86 N C 1.740 177.297 175.510 0.078 0.000 1.024 86 N CA 1.754 54.856 53.050 0.087 0.000 0.852 86 N CB -0.411 38.111 38.487 0.058 0.000 1.003 86 N HN 0.280 nan 8.380 nan 0.000 0.424 87 V N 0.951 120.902 119.914 0.062 0.000 2.343 87 V HA -0.214 3.912 4.120 0.009 0.000 0.247 87 V C 1.936 178.048 176.094 0.030 0.000 1.051 87 V CA 1.547 63.872 62.300 0.041 0.000 1.036 87 V CB -0.319 31.523 31.823 0.031 0.000 0.654 87 V HN 0.326 nan 8.190 nan 0.000 0.451 88 K N -0.431 120.001 120.400 0.053 0.000 2.209 88 K HA -0.238 4.087 4.320 0.009 0.000 0.204 88 K C 2.189 178.692 176.600 -0.161 0.000 1.048 88 K CA 1.343 57.618 56.287 -0.020 0.000 0.940 88 K CB -0.135 32.414 32.500 0.083 0.000 0.729 88 K HN 0.375 nan 8.250 nan 0.000 0.451 89 Q N 0.915 120.720 119.800 0.008 0.000 2.079 89 Q HA -0.094 4.251 4.340 0.009 0.000 0.200 89 Q C 1.814 177.790 176.000 -0.040 0.000 0.974 89 Q CA 1.471 57.285 55.803 0.019 0.000 0.840 89 Q CB -0.190 28.655 28.738 0.179 0.000 0.898 89 Q HN 0.056 nan 8.270 nan 0.000 0.430 90 V N 0.703 120.614 119.914 -0.005 0.000 2.469 90 V HA -0.249 3.877 4.120 0.009 0.000 0.251 90 V C 2.098 178.176 176.094 -0.028 0.000 1.064 90 V CA 2.175 64.474 62.300 -0.001 0.000 1.066 90 V CB -0.412 31.422 31.823 0.017 0.000 0.667 90 V HN 0.322 nan 8.190 nan 0.000 0.461 91 K N -0.564 119.800 120.400 -0.059 0.000 2.186 91 K HA -0.012 4.314 4.320 0.009 0.000 0.202 91 K C 2.070 178.585 176.600 -0.142 0.000 1.052 91 K CA 0.969 57.230 56.287 -0.044 0.000 0.965 91 K CB -0.136 32.362 32.500 -0.003 0.000 0.746 91 K HN 0.351 nan 8.250 nan 0.000 0.457 92 V N 1.216 120.978 119.914 -0.253 0.000 2.407 92 V HA -0.203 3.922 4.120 0.009 0.000 0.248 92 V C 1.635 177.606 176.094 -0.204 0.000 1.055 92 V CA 1.597 63.710 62.300 -0.312 0.000 1.049 92 V CB -0.227 31.282 31.823 -0.523 0.000 0.662 92 V HN 0.274 nan 8.190 nan 0.000 0.455 93 L N -0.355 120.793 121.223 -0.125 0.000 2.141 93 L HA -0.180 4.166 4.340 0.009 0.000 0.209 93 L C 2.819 179.661 176.870 -0.047 0.000 1.094 93 L CA 1.952 56.760 54.840 -0.053 0.000 0.763 93 L CB -0.599 41.460 42.059 -0.001 0.000 0.908 93 L HN 0.406 nan 8.230 nan 0.000 0.437 94 Q N -0.471 119.289 119.800 -0.067 0.000 2.172 94 Q HA -0.180 4.166 4.340 0.009 0.000 0.200 94 Q C 2.208 178.083 176.000 -0.209 0.000 0.964 94 Q CA 0.908 56.691 55.803 -0.034 0.000 0.855 94 Q CB -0.056 28.738 28.738 0.094 0.000 0.918 94 Q HN 0.357 nan 8.270 nan 0.000 0.444 95 L N 0.729 121.683 121.223 -0.449 0.000 2.056 95 L HA -0.146 4.199 4.340 0.009 0.000 0.207 95 L C 1.940 178.739 176.870 -0.118 0.000 1.078 95 L CA 1.550 56.058 54.840 -0.553 0.000 0.749 95 L CB -0.255 41.545 42.059 -0.431 0.000 0.901 95 L HN 0.154 nan 8.230 nan 0.000 0.433 96 I N -0.176 120.328 120.570 -0.111 0.000 2.179 96 I HA -0.315 3.861 4.170 0.009 0.000 0.242 96 I C 2.244 178.400 176.117 0.065 0.000 1.088 96 I CA 1.729 62.999 61.300 -0.050 0.000 1.357 96 I CB -0.585 37.369 38.000 -0.076 0.000 1.051 96 I HN 0.411 nan 8.210 nan 0.000 0.409 97 N N 1.056 119.797 118.700 0.068 0.000 2.205 97 N HA -0.170 4.576 4.740 0.009 0.000 0.186 97 N C 1.763 177.384 175.510 0.184 0.000 1.015 97 N CA 1.548 54.685 53.050 0.144 0.000 0.862 97 N CB -0.045 38.533 38.487 0.152 0.000 0.986 97 N HN 0.355 nan 8.380 nan 0.000 0.429 98 A N -0.712 122.172 122.820 0.108 0.000 1.877 98 A HA -0.123 4.202 4.320 0.009 0.000 0.216 98 A C 1.929 179.498 177.584 -0.025 0.000 1.186 98 A CA 1.151 53.221 52.037 0.056 0.000 0.620 98 A CB -1.075 17.965 19.000 0.067 0.000 0.822 98 A HN 0.458 nan 8.150 nan 0.000 0.443 99 Y N -0.066 120.197 120.300 -0.063 0.000 2.181 99 Y HA -0.172 4.384 4.550 0.009 0.000 0.288 99 Y C 2.681 178.326 175.900 -0.425 0.000 1.146 99 Y CA 1.827 59.852 58.100 -0.124 0.000 1.164 99 Y CB -0.235 38.211 38.460 -0.022 0.000 0.982 99 Y HN 0.224 nan 8.280 nan 0.000 0.515 100 R N -1.294 119.014 120.500 -0.320 0.000 2.091 100 R HA -0.202 4.144 4.340 0.009 0.000 0.238 100 R C 2.027 178.050 176.300 -0.461 0.000 1.136 100 R CA 1.888 57.632 56.100 -0.593 0.000 0.959 100 R CB -0.624 29.523 30.300 -0.255 0.000 0.856 100 R HN 0.311 nan 8.270 nan 0.000 0.437 101 F N -0.345 119.450 119.950 -0.259 0.000 2.219 101 F HA 0.016 4.549 4.527 0.010 0.000 0.294 101 F C 2.215 177.984 175.800 -0.052 0.000 1.086 101 F CA 1.211 59.113 58.000 -0.164 0.000 1.330 101 F CB 0.332 39.254 39.000 -0.130 0.000 1.047 101 F HN -0.157 nan 8.300 nan 0.000 0.495 102 R N -1.498 119.012 120.500 0.016 0.000 2.544 102 R HA 0.171 4.517 4.340 0.009 0.000 0.303 102 R C 2.091 178.186 176.300 -0.342 0.000 0.939 102 R CA 0.571 56.536 56.100 -0.225 0.000 1.102 102 R CB -0.130 30.044 30.300 -0.211 0.000 1.440 102 R HN 0.253 nan 8.270 nan 0.000 0.532 103 G N 2.372 111.064 108.800 -0.179 0.000 2.562 103 G HA2 -0.322 3.644 3.960 0.009 0.000 0.223 103 G HA3 -0.322 3.644 3.960 0.009 0.000 0.223 103 G C 1.286 176.218 174.900 0.053 0.000 1.102 103 G CA 1.398 46.470 45.100 -0.047 0.000 0.742 103 G HN 0.495 nan 8.290 nan 0.000 0.587 104 H N -0.325 118.788 119.070 0.073 0.000 2.529 104 H HA 0.100 4.662 4.556 0.009 0.000 0.277 104 H C 1.907 177.224 175.328 -0.018 0.000 0.999 104 H CA 0.952 57.052 56.048 0.086 0.000 1.256 104 H CB -0.282 29.544 29.762 0.108 0.000 1.402 104 H HN 0.478 nan 8.280 nan 0.000 0.566 105 Q N 0.288 119.788 119.800 -0.501 0.000 2.436 105 Q HA -0.069 4.277 4.340 0.009 0.000 0.209 105 Q C 0.688 176.512 176.000 -0.294 0.000 0.965 105 Q CA 0.631 56.199 55.803 -0.392 0.000 0.910 105 Q CB 0.204 28.651 28.738 -0.484 0.000 0.980 105 Q HN 0.621 nan 8.270 nan 0.000 0.491 106 H N -0.742 118.261 119.070 -0.111 0.000 2.674 106 H HA 0.409 4.970 4.556 0.009 0.000 0.274 106 H C -0.144 175.195 175.328 0.020 0.000 1.121 106 H CA -0.167 55.853 56.048 -0.047 0.000 1.132 106 H CB 0.553 30.281 29.762 -0.056 0.000 1.606 106 H HN 0.127 nan 8.280 nan 0.000 0.558 107 A N 1.004 123.911 122.820 0.145 0.000 2.351 107 A HA 0.136 4.462 4.320 0.009 0.000 0.257 107 A C 0.575 178.228 177.584 0.116 0.000 1.087 107 A CA -0.390 51.740 52.037 0.155 0.000 0.798 107 A CB 0.270 19.380 19.000 0.183 0.000 1.033 107 A HN 0.317 nan 8.150 nan 0.000 0.488 108 N N 1.583 120.350 118.700 0.111 0.000 2.555 108 N HA 0.309 5.054 4.740 0.009 0.000 0.244 108 N C 0.173 175.735 175.510 0.086 0.000 1.114 108 N CA 0.066 53.169 53.050 0.088 0.000 0.963 108 N CB -0.196 38.339 38.487 0.080 0.000 1.276 108 N HN 0.581 nan 8.380 nan 0.000 0.510 109 L N 0.264 121.532 121.223 0.075 0.000 2.526 109 L HA 0.287 4.632 4.340 0.009 0.000 0.210 109 L C 0.281 177.194 176.870 0.071 0.000 1.048 109 L CA -0.116 54.773 54.840 0.082 0.000 0.852 109 L CB -0.082 42.021 42.059 0.074 0.000 1.128 109 L HN 0.341 nan 8.230 nan 0.000 0.482 110 D N 1.549 121.977 120.400 0.047 0.000 2.339 110 D HA 0.070 4.716 4.640 0.009 0.000 0.256 110 D C -1.688 174.625 176.300 0.022 0.000 1.214 110 D CA -1.926 52.093 54.000 0.032 0.000 0.877 110 D CB 1.557 42.359 40.800 0.004 0.000 1.111 110 D HN -0.113 nan 8.370 nan 0.000 0.478 111 P HA -0.130 nan 4.420 nan 0.000 0.217 111 P C 1.392 178.609 177.300 -0.139 0.000 1.148 111 P CA 1.022 64.143 63.100 0.036 0.000 0.828 111 P CB 0.243 32.027 31.700 0.140 0.000 0.783 112 L N -2.793 118.280 121.223 -0.251 0.000 2.162 112 L HA 0.158 4.504 4.340 0.009 0.000 0.205 112 L C 1.926 178.716 176.870 -0.133 0.000 1.086 112 L CA 1.067 55.697 54.840 -0.351 0.000 0.778 112 L CB -1.137 40.715 42.059 -0.344 0.000 0.928 112 L HN 0.113 nan 8.230 nan 0.000 0.446 113 G N -0.330 108.430 108.800 -0.067 0.000 2.179 113 G HA2 -0.327 3.639 3.960 0.009 0.000 0.260 113 G HA3 -0.327 3.639 3.960 0.009 0.000 0.260 113 G C 0.740 175.622 174.900 -0.029 0.000 0.977 113 G CA 0.436 45.523 45.100 -0.023 0.000 0.641 113 G HN 0.321 nan 8.290 nan 0.000 0.533 114 L N -1.871 119.321 121.223 -0.052 0.000 2.682 114 L HA 0.588 4.934 4.340 0.009 0.000 0.240 114 L C 1.772 178.624 176.870 -0.029 0.000 1.178 114 L CA 1.217 56.032 54.840 -0.042 0.000 0.970 114 L CB -1.868 40.156 42.059 -0.059 0.000 1.179 114 L HN 1.480 nan 8.230 nan 0.000 0.435 120 V N 2.156 122.101 119.914 0.052 0.000 2.447 120 V HA 0.623 4.749 4.120 0.009 0.000 0.292 120 V C 1.248 177.277 176.094 -0.110 0.000 1.021 120 V CA 0.016 62.262 62.300 -0.090 0.000 0.850 120 V CB 1.115 32.851 31.823 -0.145 0.000 1.005 120 V HN 1.407 nan 8.190 nan 0.000 0.426 121 A N 2.518 125.213 122.820 -0.209 0.000 1.929 121 A HA -0.081 4.245 4.320 0.009 0.000 0.216 121 A C 1.794 179.023 177.584 -0.592 0.000 1.176 121 A CA 1.476 53.360 52.037 -0.254 0.000 0.628 121 A CB -0.272 18.629 19.000 -0.165 0.000 0.816 121 A HN 0.786 nan 8.150 nan 0.000 0.444 122 D N 0.133 120.024 120.400 -0.848 0.000 2.203 122 D HA -0.142 4.504 4.640 0.009 0.000 0.199 122 D C 1.578 177.721 176.300 -0.261 0.000 0.997 122 D CA 1.004 54.507 54.000 -0.829 0.000 0.863 122 D CB -0.142 40.347 40.800 -0.518 0.000 0.928 122 D HN 0.467 nan 8.370 nan 0.000 0.458 123 L N -0.214 120.862 121.223 -0.245 0.000 2.554 123 L HA 0.017 4.363 4.340 0.009 0.000 0.226 123 L C 0.693 177.601 176.870 0.065 0.000 1.137 123 L CA 0.108 54.799 54.840 -0.249 0.000 0.863 123 L CB 0.118 41.968 42.059 -0.348 0.000 0.985 123 L HN -0.142 nan 8.230 nan 0.000 0.451 124 D N -0.067 120.400 120.400 0.111 0.000 2.232 124 D HA 0.162 4.807 4.640 0.009 0.000 0.242 124 D C -1.638 174.861 176.300 0.333 0.000 1.093 124 D CA -2.011 52.106 54.000 0.195 0.000 0.845 124 D CB 2.153 43.039 40.800 0.143 0.000 1.124 124 D HN -0.201 nan 8.370 nan 0.000 0.467 125 P HA -0.185 nan 4.420 nan 0.000 0.216 125 P C 1.438 178.909 177.300 0.285 0.000 1.154 125 P CA 1.074 64.369 63.100 0.325 0.000 0.865 125 P CB 0.290 32.205 31.700 0.357 0.000 0.789 126 S N -1.740 114.089 115.700 0.215 0.000 2.383 126 S HA -0.205 4.271 4.470 0.009 0.000 0.229 126 S C 1.763 176.433 174.600 0.117 0.000 1.030 126 S CA 0.923 59.203 58.200 0.134 0.000 1.002 126 S CB -1.206 62.049 63.200 0.091 0.000 0.829 126 S HN 0.058 nan 8.310 nan 0.000 0.467 127 F N 1.882 121.829 119.950 -0.006 0.000 2.192 127 F HA -0.140 4.392 4.527 0.009 0.000 0.301 127 F C 2.004 177.670 175.800 -0.222 0.000 1.079 127 F CA 1.971 59.885 58.000 -0.143 0.000 1.303 127 F CB -0.172 38.688 39.000 -0.234 0.000 1.024 127 F HN 0.403 nan 8.300 nan 0.000 0.494 128 H N 0.313 119.478 119.070 0.160 0.000 2.517 128 H HA 0.096 4.658 4.556 0.010 0.000 0.282 128 H C -0.116 175.205 175.328 -0.011 0.000 1.023 128 H CA 0.688 56.781 56.048 0.075 0.000 1.169 128 H CB -0.311 29.536 29.762 0.142 0.000 1.454 128 H HN 0.249 nan 8.280 nan 0.000 0.556 129 D N 0.552 120.974 120.400 0.036 0.000 2.800 129 D HA -0.175 4.471 4.640 0.009 0.000 0.232 129 D C -0.173 176.153 176.300 0.042 0.000 1.137 129 D CA 0.437 54.443 54.000 0.009 0.000 0.718 129 D CB -1.609 39.176 40.800 -0.026 0.000 1.084 129 D HN 0.379 nan 8.370 nan 0.000 0.432 130 L N 0.054 121.327 121.223 0.084 0.000 2.334 130 L HA 0.589 4.935 4.340 0.009 0.000 0.273 130 L C 1.079 177.982 176.870 0.055 0.000 1.013 130 L CA -0.557 54.334 54.840 0.084 0.000 0.816 130 L CB 2.032 44.166 42.059 0.124 0.000 1.278 130 L HN 0.030 nan 8.230 nan 0.000 0.431 131 T N -3.085 111.459 114.554 -0.016 0.000 2.932 131 T HA 0.299 4.655 4.350 0.009 0.000 0.289 131 T C 0.712 175.122 174.700 -0.483 0.000 1.039 131 T CA -0.693 61.315 62.100 -0.153 0.000 1.024 131 T CB 1.912 70.716 68.868 -0.107 0.000 1.090 131 T HN 0.652 nan 8.240 nan 0.000 0.496 132 E N 0.822 120.637 120.200 -0.643 0.000 2.136 132 E HA -0.232 4.124 4.350 0.009 0.000 0.202 132 E C 2.179 178.377 176.600 -0.670 0.000 1.019 132 E CA 2.113 57.912 56.400 -1.001 0.000 0.819 132 E CB -0.537 28.887 29.700 -0.460 0.000 0.739 132 E HN 0.807 nan 8.360 nan 0.000 0.458 133 A N 0.390 123.025 122.820 -0.308 0.000 2.016 133 A HA -0.134 4.191 4.320 0.009 0.000 0.217 133 A C 1.590 179.155 177.584 -0.031 0.000 1.162 133 A CA 1.288 53.250 52.037 -0.125 0.000 0.662 133 A CB -0.150 18.807 19.000 -0.071 0.000 0.812 133 A HN 0.168 nan 8.150 nan 0.000 0.450 134 D N -0.300 120.089 120.400 -0.019 0.000 2.263 134 D HA -0.113 4.533 4.640 0.009 0.000 0.208 134 D C 1.485 177.995 176.300 0.350 0.000 0.971 134 D CA 0.767 54.872 54.000 0.174 0.000 0.867 134 D CB -0.424 40.498 40.800 0.204 0.000 0.929 134 D HN 0.668 nan 8.370 nan 0.000 0.492 135 F N 0.949 120.955 119.950 0.094 0.000 2.250 135 F HA -0.216 4.317 4.527 0.010 0.000 0.301 135 F C 2.579 178.421 175.800 0.070 0.000 1.077 135 F CA 0.411 58.459 58.000 0.081 0.000 1.348 135 F CB -0.025 39.003 39.000 0.048 0.000 1.040 135 F HN -0.029 nan 8.300 nan 0.000 0.509 136 Q N -0.418 119.523 119.800 0.233 0.000 2.424 136 Q HA 0.005 4.350 4.340 0.009 0.000 0.204 136 Q C 0.514 176.551 176.000 0.062 0.000 0.933 136 Q CA 0.126 56.002 55.803 0.121 0.000 0.929 136 Q CB -0.192 28.592 28.738 0.077 0.000 1.037 136 Q HN 0.474 nan 8.270 nan 0.000 0.511 137 E N 0.821 121.063 120.200 0.070 0.000 2.374 137 E HA 0.218 4.574 4.350 0.009 0.000 0.260 137 E C -0.096 176.376 176.600 -0.214 0.000 1.101 137 E CA 0.140 56.487 56.400 -0.087 0.000 0.907 137 E CB 0.979 30.622 29.700 -0.095 0.000 1.014 137 E HN 0.348 nan 8.360 nan 0.000 0.427 138 T N 0.638 114.906 114.554 -0.477 0.000 2.856 138 T HA 0.584 4.940 4.350 0.009 0.000 0.283 138 T C -0.971 173.299 174.700 -0.717 0.000 1.008 138 T CA -0.630 61.233 62.100 -0.396 0.000 0.997 138 T CB 0.387 69.160 68.868 -0.159 0.000 0.992 138 T HN 0.284 nan 8.240 nan 0.000 0.454 139 F N 1.934 121.897 119.950 0.022 0.000 2.588 139 F HA 0.461 4.993 4.527 0.008 0.000 0.314 139 F C 0.710 176.526 175.800 0.026 0.000 1.069 139 F CA -1.242 56.772 58.000 0.022 0.000 0.931 139 F CB 1.832 40.843 39.000 0.017 0.000 1.260 139 F HN 0.673 nan 8.300 nan 0.000 0.465 140 N N 1.092 119.921 118.700 0.215 0.000 2.412 140 N HA 0.069 4.815 4.740 0.009 0.000 0.254 140 N C 0.196 175.805 175.510 0.165 0.000 1.232 140 N CA 0.171 53.315 53.050 0.156 0.000 0.880 140 N CB 1.262 39.825 38.487 0.126 0.000 1.076 140 N HN 0.602 nan 8.380 nan 0.000 0.458 141 V N 1.603 121.602 119.914 0.142 0.000 2.982 141 V HA 0.372 4.497 4.120 0.009 0.000 0.368 141 V C 1.382 177.569 176.094 0.156 0.000 1.350 141 V CA 0.156 62.541 62.300 0.141 0.000 1.251 141 V CB -0.548 31.384 31.823 0.182 0.000 1.284 141 V HN 0.912 nan 8.190 nan 0.000 0.533 142 G N 2.620 111.495 108.800 0.124 0.000 2.684 142 G HA2 -0.449 3.516 3.960 0.009 0.000 0.342 142 G HA3 -0.449 3.516 3.960 0.009 0.000 0.342 142 G C 1.202 176.182 174.900 0.135 0.000 1.316 142 G CA 1.754 46.924 45.100 0.116 0.000 0.994 142 G HN 1.710 nan 8.290 nan 0.000 0.541 143 S N -0.227 115.561 115.700 0.147 0.000 2.650 143 S HA 0.339 4.814 4.470 0.009 0.000 0.219 143 S C 0.725 175.433 174.600 0.180 0.000 0.960 143 S CA 0.571 58.857 58.200 0.142 0.000 0.925 143 S CB -0.151 63.128 63.200 0.131 0.000 0.775 143 S HN 0.856 nan 8.310 nan 0.000 0.525 144 F N 2.698 122.692 119.950 0.074 0.000 2.504 144 F HA 0.470 5.004 4.527 0.012 0.000 0.369 144 F C 0.635 176.468 175.800 0.053 0.000 1.082 144 F CA -0.609 57.438 58.000 0.079 0.000 1.216 144 F CB 0.441 39.485 39.000 0.073 0.000 1.108 144 F HN 0.197 nan 8.300 nan 0.000 0.554 145 A N 4.593 127.055 122.820 -0.596 0.000 3.175 145 A HA 0.336 4.662 4.320 0.009 0.000 0.289 145 A C 0.526 177.887 177.584 -0.373 0.000 1.429 145 A CA 0.256 52.099 52.037 -0.323 0.000 1.155 145 A CB -0.667 18.206 19.000 -0.211 0.000 1.169 145 A HN 0.837 nan 8.150 nan 0.000 0.574 146 S N -0.519 115.008 115.700 -0.289 0.000 2.559 146 S HA 0.216 4.692 4.470 0.009 0.000 0.226 146 S C 1.077 175.610 174.600 -0.111 0.000 1.030 146 S CA 0.530 58.581 58.200 -0.249 0.000 0.956 146 S CB 0.262 63.375 63.200 -0.145 0.000 0.900 146 S HN 0.819 nan 8.310 nan 0.000 0.510 147 G N 1.735 110.487 108.800 -0.080 0.000 4.198 147 G HA2 0.315 4.281 3.960 0.009 0.000 0.282 147 G HA3 0.315 4.281 3.960 0.009 0.000 0.282 147 G C -0.278 174.618 174.900 -0.007 0.000 1.262 147 G CA -0.778 44.299 45.100 -0.040 0.000 1.473 147 G HN 0.336 nan 8.290 nan 0.000 0.624 148 K N 0.801 121.201 120.400 0.001 0.000 2.392 148 K HA -0.134 4.192 4.320 0.009 0.000 0.259 148 K C 1.091 177.722 176.600 0.050 0.000 1.141 148 K CA 0.457 56.759 56.287 0.025 0.000 1.208 148 K CB 0.460 32.979 32.500 0.032 0.000 0.786 148 K HN 0.458 nan 8.250 nan 0.000 0.498 149 E N 1.778 122.005 120.200 0.046 0.000 2.460 149 E HA -0.031 4.324 4.350 0.009 0.000 0.200 149 E C -0.301 176.342 176.600 0.072 0.000 1.011 149 E CA 0.502 56.938 56.400 0.059 0.000 0.912 149 E CB 0.611 30.336 29.700 0.042 0.000 0.953 149 E HN 0.702 nan 8.360 nan 0.000 0.494 150 T N -1.554 113.037 114.554 0.062 0.000 2.912 150 T HA 0.671 5.027 4.350 0.009 0.000 0.299 150 T C -0.285 174.453 174.700 0.064 0.000 1.052 150 T CA -0.852 61.290 62.100 0.069 0.000 0.996 150 T CB 1.981 70.875 68.868 0.042 0.000 1.070 150 T HN -0.103 nan 8.240 nan 0.000 0.465 151 M N 1.547 121.197 119.600 0.083 0.000 2.619 151 M HA 0.502 4.988 4.480 0.009 0.000 0.297 151 M C -0.361 175.983 176.300 0.073 0.000 1.229 151 M CA -1.083 54.258 55.300 0.069 0.000 0.860 151 M CB 2.658 35.304 32.600 0.075 0.000 1.741 151 M HN 0.477 nan 8.290 nan 0.000 0.462 152 K N 1.017 121.446 120.400 0.047 0.000 2.382 152 K HA 0.073 4.399 4.320 0.009 0.000 0.275 152 K C 0.761 177.421 176.600 0.100 0.000 1.009 152 K CA -0.304 56.023 56.287 0.066 0.000 0.970 152 K CB 0.924 33.449 32.500 0.041 0.000 0.934 152 K HN 0.485 nan 8.250 nan 0.000 0.479 153 L N 3.850 125.196 121.223 0.205 0.000 2.046 153 L HA -0.090 4.256 4.340 0.009 0.000 0.208 153 L C 1.964 178.755 176.870 -0.133 0.000 1.077 153 L CA 2.232 57.148 54.840 0.127 0.000 0.747 153 L CB -1.032 41.200 42.059 0.289 0.000 0.896 153 L HN 0.918 nan 8.230 nan 0.000 0.432 154 G N -1.309 107.412 108.800 -0.133 0.000 2.532 154 G HA2 -0.323 3.643 3.960 0.009 0.000 0.222 154 G HA3 -0.323 3.643 3.960 0.009 0.000 0.222 154 G C 1.519 176.251 174.900 -0.281 0.000 1.102 154 G CA 1.095 45.966 45.100 -0.381 0.000 0.742 154 G HN 0.605 nan 8.290 nan 0.000 0.577 155 E N -0.942 119.166 120.200 -0.154 0.000 2.288 155 E HA 0.074 4.429 4.350 0.009 0.000 0.200 155 E C 2.268 178.805 176.600 -0.105 0.000 0.880 155 E CA -0.244 56.099 56.400 -0.096 0.000 0.971 155 E CB -0.114 29.567 29.700 -0.033 0.000 0.954 155 E HN 0.175 nan 8.360 nan 0.000 0.489 156 L N 1.664 122.823 121.223 -0.106 0.000 2.103 156 L HA -0.213 4.133 4.340 0.009 0.000 0.215 156 L C 2.171 178.868 176.870 -0.289 0.000 1.080 156 L CA 1.504 56.238 54.840 -0.176 0.000 0.764 156 L CB -0.568 41.383 42.059 -0.180 0.000 0.890 156 L HN 0.274 nan 8.230 nan 0.000 0.435 157 L N -0.688 120.345 121.223 -0.316 0.000 2.056 157 L HA -0.127 4.219 4.340 0.009 0.000 0.207 157 L C 2.511 179.199 176.870 -0.304 0.000 1.078 157 L CA 1.629 56.236 54.840 -0.388 0.000 0.749 157 L CB -0.951 40.836 42.059 -0.453 0.000 0.901 157 L HN 0.320 nan 8.230 nan 0.000 0.433 158 E N -0.140 119.931 120.200 -0.216 0.000 2.058 158 E HA -0.222 4.134 4.350 0.009 0.000 0.194 158 E C 2.141 178.680 176.600 -0.100 0.000 0.997 158 E CA 1.448 57.769 56.400 -0.132 0.000 0.801 158 E CB -0.282 29.362 29.700 -0.093 0.000 0.746 158 E HN 0.569 nan 8.360 nan 0.000 0.450 159 A N 0.902 123.670 122.820 -0.087 0.000 1.877 159 A HA -0.146 4.180 4.320 0.009 0.000 0.216 159 A C 2.477 180.055 177.584 -0.010 0.000 1.186 159 A CA 1.268 53.302 52.037 -0.006 0.000 0.620 159 A CB -0.808 18.255 19.000 0.106 0.000 0.822 159 A HN 0.237 nan 8.150 nan 0.000 0.443 160 L N -0.579 120.544 121.223 -0.167 0.000 2.042 160 L HA -0.256 4.089 4.340 0.009 0.000 0.210 160 L C 2.632 179.467 176.870 -0.058 0.000 1.076 160 L CA 1.959 56.683 54.840 -0.194 0.000 0.749 160 L CB -0.439 41.192 42.059 -0.714 0.000 0.893 160 L HN 0.375 nan 8.230 nan 0.000 0.432 161 K N -0.467 119.851 120.400 -0.136 0.000 2.057 161 K HA -0.187 4.139 4.320 0.009 0.000 0.206 161 K C 2.499 179.141 176.600 0.070 0.000 1.050 161 K CA 1.555 57.871 56.287 0.048 0.000 0.935 161 K CB -0.344 32.162 32.500 0.010 0.000 0.715 161 K HN 0.400 nan 8.250 nan 0.000 0.439 162 Q N 0.951 120.756 119.800 0.009 0.000 2.167 162 Q HA -0.119 4.227 4.340 0.009 0.000 0.202 162 Q C 2.073 178.059 176.000 -0.023 0.000 0.970 162 Q CA 2.098 57.899 55.803 -0.004 0.000 0.855 162 Q CB -1.177 27.544 28.738 -0.027 0.000 0.911 162 Q HN 0.401 nan 8.270 nan 0.000 0.438 163 T N -0.730 113.799 114.554 -0.041 0.000 2.698 163 T HA -0.012 4.343 4.350 0.009 0.000 0.260 163 T C 1.256 175.878 174.700 -0.129 0.000 1.044 163 T CA 1.385 63.376 62.100 -0.181 0.000 1.149 163 T CB -0.231 68.434 68.868 -0.337 0.000 0.864 163 T HN 0.726 nan 8.240 nan 0.000 0.419 164 Y N -0.567 119.857 120.300 0.207 0.000 2.467 164 Y HA 0.279 4.834 4.550 0.009 0.000 0.250 164 Y C 1.462 177.508 175.900 0.244 0.000 1.155 164 Y CA -0.534 57.726 58.100 0.267 0.000 1.249 164 Y CB 0.472 39.141 38.460 0.350 0.000 1.146 164 Y HN 0.238 nan 8.280 nan 0.000 0.524 165 C N -0.861 118.625 119.300 0.311 0.000 3.512 165 C HA 0.463 4.929 4.460 0.009 0.000 0.276 165 C C 1.844 176.933 174.990 0.164 0.000 1.592 165 C CA -0.441 58.724 59.018 0.245 0.000 1.803 165 C CB -0.801 27.090 27.740 0.252 0.000 2.996 165 C HN 0.590 nan 8.230 nan 0.000 0.590 166 G N 2.582 111.463 108.800 0.134 0.000 2.873 166 G HA2 0.237 4.202 3.960 0.009 0.000 0.170 166 G HA3 0.237 4.202 3.960 0.009 0.000 0.170 166 G C -1.208 173.753 174.900 0.102 0.000 1.608 166 G CA 0.142 45.297 45.100 0.091 0.000 1.084 166 G HN 0.203 nan 8.290 nan 0.000 0.563 167 P HA 0.236 nan 4.420 nan 0.000 0.255 167 P C -0.018 177.357 177.300 0.124 0.000 1.248 167 P CA 0.393 63.550 63.100 0.094 0.000 0.807 167 P CB 0.275 32.018 31.700 0.072 0.000 1.150 168 I N -0.153 120.504 120.570 0.145 0.000 2.433 168 I HA 0.479 4.655 4.170 0.009 0.000 0.292 168 I C 0.391 176.676 176.117 0.279 0.000 1.001 168 I CA -0.903 60.523 61.300 0.211 0.000 1.119 168 I CB 2.283 40.407 38.000 0.206 0.000 1.289 168 I HN -0.184 nan 8.210 nan 0.000 0.438 169 G N 4.707 113.712 108.800 0.342 0.000 2.437 169 G HA2 0.645 4.611 3.960 0.009 0.000 0.315 169 G HA3 0.645 4.611 3.960 0.009 0.000 0.315 169 G C -0.613 174.555 174.900 0.447 0.000 1.210 169 G CA -0.401 44.943 45.100 0.408 0.000 0.943 169 G HN 0.717 nan 8.290 nan 0.000 0.471 170 A N 3.417 126.509 122.820 0.453 0.000 2.253 170 A HA 0.623 4.949 4.320 0.009 0.000 0.316 170 A C 0.276 177.957 177.584 0.162 0.000 1.327 170 A CA -0.723 51.530 52.037 0.360 0.000 0.917 170 A CB 0.231 19.582 19.000 0.584 0.000 1.162 170 A HN 0.725 nan 8.150 nan 0.000 0.535 171 E N 2.319 122.442 120.200 -0.130 0.000 2.081 171 E HA 0.458 4.814 4.350 0.009 0.000 0.276 171 E C -0.695 175.885 176.600 -0.033 0.000 0.950 171 E CA -0.594 55.700 56.400 -0.177 0.000 0.776 171 E CB 0.384 29.878 29.700 -0.344 0.000 1.094 171 E HN 0.834 nan 8.360 nan 0.000 0.402 172 Y N 0.831 120.982 120.300 -0.249 0.000 2.491 172 Y HA 0.278 4.834 4.550 0.010 0.000 0.276 172 Y C 1.288 176.856 175.900 -0.553 0.000 1.041 172 Y CA -0.480 57.347 58.100 -0.456 0.000 1.191 172 Y CB 0.152 38.425 38.460 -0.311 0.000 1.365 172 Y HN 0.260 nan 8.280 nan 0.000 0.566 173 M N 2.502 121.488 119.600 -1.024 0.000 2.557 173 M HA -0.036 4.449 4.480 0.009 0.000 0.259 173 M C 1.718 177.662 176.300 -0.594 0.000 1.086 173 M CA 1.162 55.807 55.300 -1.091 0.000 1.096 173 M CB -1.261 30.171 32.600 -1.946 0.000 1.424 173 M HN 0.649 nan 8.290 nan 0.000 0.488 174 H N -0.509 118.384 119.070 -0.295 0.000 2.524 174 H HA 0.177 4.739 4.556 0.011 0.000 0.282 174 H C 0.794 176.088 175.328 -0.057 0.000 1.016 174 H CA -0.024 55.981 56.048 -0.073 0.000 1.270 174 H CB -0.672 29.066 29.762 -0.041 0.000 1.394 174 H HN 0.267 nan 8.280 nan 0.000 0.568 175 I N 3.158 123.437 120.570 -0.485 0.000 2.752 175 I HA -0.130 4.045 4.170 0.009 0.000 0.287 175 I C 1.771 177.825 176.117 -0.105 0.000 1.188 175 I CA 0.562 61.713 61.300 -0.249 0.000 1.427 175 I CB 1.303 39.157 38.000 -0.244 0.000 1.365 175 I HN 0.270 nan 8.210 nan 0.000 0.585 176 T N 0.141 114.670 114.554 -0.041 0.000 3.043 176 T HA -0.040 4.315 4.350 0.009 0.000 0.263 176 T C 0.970 175.666 174.700 -0.007 0.000 1.094 176 T CA 0.055 62.151 62.100 -0.007 0.000 1.127 176 T CB 0.010 68.885 68.868 0.012 0.000 0.905 176 T HN 0.505 nan 8.240 nan 0.000 0.490 177 S N 1.335 117.020 115.700 -0.025 0.000 2.422 177 S HA 0.220 4.696 4.470 0.009 0.000 0.283 177 S C 1.307 175.903 174.600 -0.006 0.000 1.163 177 S CA -0.419 57.767 58.200 -0.023 0.000 1.054 177 S CB 0.247 63.406 63.200 -0.070 0.000 0.967 177 S HN 0.371 nan 8.310 nan 0.000 0.499 178 T N 5.002 119.572 114.554 0.026 0.000 2.653 178 T HA -0.220 4.135 4.350 0.009 0.000 0.268 178 T C 1.593 176.338 174.700 0.075 0.000 1.035 178 T CA 2.307 64.441 62.100 0.056 0.000 1.154 178 T CB -0.372 68.534 68.868 0.064 0.000 0.862 178 T HN 0.941 nan 8.240 nan 0.000 0.441 179 E N 1.280 121.522 120.200 0.070 0.000 2.152 179 E HA -0.097 4.258 4.350 0.009 0.000 0.192 179 E C 2.061 178.733 176.600 0.120 0.000 0.983 179 E CA 0.951 57.432 56.400 0.135 0.000 0.818 179 E CB -0.271 29.535 29.700 0.177 0.000 0.758 179 E HN 0.545 nan 8.360 nan 0.000 0.467 180 E N 1.491 121.613 120.200 -0.130 0.000 2.031 180 E HA -0.149 4.206 4.350 0.009 0.000 0.193 180 E C 2.041 178.691 176.600 0.085 0.000 0.994 180 E CA 1.109 57.287 56.400 -0.371 0.000 0.800 180 E CB -0.023 29.384 29.700 -0.488 0.000 0.752 180 E HN 0.198 nan 8.360 nan 0.000 0.447 181 K N 0.513 120.989 120.400 0.126 0.000 2.097 181 K HA -0.151 4.175 4.320 0.009 0.000 0.206 181 K C 2.259 179.020 176.600 0.267 0.000 1.049 181 K CA 0.958 57.407 56.287 0.270 0.000 0.933 181 K CB -0.076 32.557 32.500 0.223 0.000 0.717 181 K HN -0.071 nan 8.250 nan 0.000 0.442 182 R N -0.218 120.413 120.500 0.219 0.000 2.092 182 R HA -0.165 4.180 4.340 0.009 0.000 0.231 182 R C 1.965 178.397 176.300 0.220 0.000 1.119 182 R CA 1.435 57.654 56.100 0.198 0.000 0.970 182 R CB -0.255 30.147 30.300 0.170 0.000 0.864 182 R HN 0.332 nan 8.270 nan 0.000 0.440 183 W N 0.837 122.203 121.300 0.111 0.000 2.355 183 W HA -0.140 4.522 4.660 0.003 0.000 0.309 183 W C 1.559 178.145 176.519 0.111 0.000 1.206 183 W CA 1.593 59.033 57.345 0.159 0.000 1.284 183 W CB -0.159 29.494 29.460 0.321 0.000 1.145 183 W HN 0.019 nan 8.180 nan 0.000 0.502 184 I N 0.428 121.254 120.570 0.427 0.000 2.286 184 I HA -0.359 3.816 4.170 0.009 0.000 0.248 184 I C 2.390 178.445 176.117 -0.104 0.000 1.115 184 I CA 1.596 62.982 61.300 0.143 0.000 1.392 184 I CB -0.749 37.176 38.000 -0.126 0.000 1.065 184 I HN 0.134 nan 8.210 nan 0.000 0.418 185 Q N 0.170 119.951 119.800 -0.032 0.000 2.050 185 Q HA -0.285 4.061 4.340 0.009 0.000 0.202 185 Q C 2.239 178.186 176.000 -0.087 0.000 0.980 185 Q CA 1.503 57.313 55.803 0.012 0.000 0.840 185 Q CB -0.169 28.656 28.738 0.144 0.000 0.898 185 Q HN 0.337 nan 8.270 nan 0.000 0.424 186 Q N 0.395 120.124 119.800 -0.118 0.000 2.217 186 Q HA -0.162 4.184 4.340 0.009 0.000 0.209 186 Q C 1.579 177.436 176.000 -0.237 0.000 0.988 186 Q CA 1.545 57.236 55.803 -0.186 0.000 0.878 186 Q CB 0.032 28.645 28.738 -0.208 0.000 0.909 186 Q HN 0.136 nan 8.270 nan 0.000 0.424 187 R N -0.789 119.534 120.500 -0.294 0.000 2.290 187 R HA 0.151 4.497 4.340 0.009 0.000 0.197 187 R C 1.511 177.785 176.300 -0.043 0.000 0.913 187 R CA 0.617 56.564 56.100 -0.255 0.000 1.040 187 R CB 0.323 30.337 30.300 -0.477 0.000 0.992 187 R HN 0.469 nan 8.270 nan 0.000 0.500 188 I N -4.986 115.542 120.570 -0.070 0.000 4.244 188 I HA 0.337 4.512 4.170 0.009 0.000 0.318 188 I C 1.103 177.115 176.117 -0.175 0.000 1.282 188 I CA 0.368 61.647 61.300 -0.034 0.000 1.276 188 I CB 0.404 38.394 38.000 -0.017 0.000 1.183 188 I HN -0.184 nan 8.210 nan 0.000 0.431 189 E N 1.970 122.043 120.200 -0.212 0.000 2.370 189 E HA 0.249 4.605 4.350 0.009 0.000 0.194 189 E C 1.365 177.733 176.600 -0.386 0.000 1.057 189 E CA 0.512 56.706 56.400 -0.343 0.000 1.011 189 E CB -0.651 28.777 29.700 -0.452 0.000 1.132 189 E HN 0.738 nan 8.360 nan 0.000 0.450 190 S N -2.696 112.855 115.700 -0.247 0.000 2.554 190 S HA 0.604 5.079 4.470 0.009 0.000 0.227 190 S C 1.262 175.767 174.600 -0.159 0.000 1.050 190 S CA 0.525 58.605 58.200 -0.201 0.000 0.927 190 S CB 0.706 63.813 63.200 -0.155 0.000 0.859 190 S HN 1.396 nan 8.310 nan 0.000 0.494 191 G N 0.022 108.727 108.800 -0.159 0.000 2.351 191 G HA2 0.374 4.340 3.960 0.009 0.000 0.279 191 G HA3 0.374 4.340 3.960 0.009 0.000 0.279 191 G C -0.330 174.439 174.900 -0.218 0.000 1.297 191 G CA -0.029 44.974 45.100 -0.163 0.000 0.886 191 G HN 0.128 nan 8.290 nan 0.000 0.493 192 R N -1.541 118.786 120.500 -0.288 0.000 3.718 192 R HA 0.783 5.129 4.340 0.009 0.000 0.136 192 R C 0.253 176.262 176.300 -0.485 0.000 0.698 192 R CA 1.964 57.751 56.100 -0.521 0.000 1.110 192 R CB 0.542 30.387 30.300 -0.759 0.000 1.594 192 R HN 2.344 nan 8.270 nan 0.000 0.490 193 A N 0.348 122.932 122.820 -0.394 0.000 2.579 193 A HA 0.664 4.990 4.320 0.009 0.000 0.288 193 A C -0.408 176.965 177.584 -0.352 0.000 1.079 193 A CA 0.254 52.049 52.037 -0.403 0.000 0.889 193 A CB 0.842 19.599 19.000 -0.405 0.000 1.439 193 A HN 0.593 nan 8.150 nan 0.000 0.399 194 T N 1.583 115.915 114.554 -0.370 0.000 2.770 194 T HA 0.661 5.016 4.350 0.009 0.000 0.297 194 T C -0.430 174.041 174.700 -0.382 0.000 0.997 194 T CA -0.163 61.781 62.100 -0.260 0.000 0.949 194 T CB -0.243 68.545 68.868 -0.133 0.000 0.941 194 T HN 0.394 nan 8.240 nan 0.000 0.457 195 F N 2.935 122.940 119.950 0.091 0.000 2.399 195 F HA 0.382 4.915 4.527 0.011 0.000 0.334 195 F C 1.026 176.855 175.800 0.049 0.000 1.097 195 F CA -0.914 57.143 58.000 0.095 0.000 1.076 195 F CB 1.418 40.525 39.000 0.179 0.000 1.162 195 F HN 0.753 nan 8.300 nan 0.000 0.495 196 N N -0.313 118.505 118.700 0.196 0.000 2.379 196 N HA 0.143 4.888 4.740 0.009 0.000 0.260 196 N C 0.384 175.937 175.510 0.073 0.000 1.254 196 N CA -0.437 52.672 53.050 0.099 0.000 0.958 196 N CB 0.527 39.048 38.487 0.057 0.000 1.208 196 N HN 0.444 nan 8.380 nan 0.000 0.532 197 S N -1.147 114.575 115.700 0.038 0.000 2.423 197 S HA -0.120 4.355 4.470 0.009 0.000 0.231 197 S C 1.318 175.910 174.600 -0.012 0.000 1.014 197 S CA 0.451 58.661 58.200 0.017 0.000 0.965 197 S CB -0.448 62.757 63.200 0.009 0.000 0.785 197 S HN 0.674 nan 8.310 nan 0.000 0.495 198 E N 1.397 121.587 120.200 -0.017 0.000 2.072 198 E HA -0.164 4.192 4.350 0.009 0.000 0.191 198 E C 1.686 178.222 176.600 -0.106 0.000 0.985 198 E CA 0.969 57.345 56.400 -0.040 0.000 0.801 198 E CB 0.017 29.703 29.700 -0.022 0.000 0.750 198 E HN 0.636 nan 8.360 nan 0.000 0.452 199 E N 0.412 120.525 120.200 -0.146 0.000 2.072 199 E HA -0.138 4.218 4.350 0.009 0.000 0.190 199 E C 2.213 178.423 176.600 -0.650 0.000 0.982 199 E CA 0.705 56.861 56.400 -0.407 0.000 0.803 199 E CB -0.042 29.474 29.700 -0.307 0.000 0.755 199 E HN 0.112 nan 8.360 nan 0.000 0.453 200 K N 1.282 121.531 120.400 -0.252 0.000 2.032 200 K HA -0.143 4.183 4.320 0.009 0.000 0.209 200 K C 2.072 178.712 176.600 0.066 0.000 1.048 200 K CA 1.292 57.586 56.287 0.011 0.000 0.927 200 K CB 0.011 32.585 32.500 0.124 0.000 0.712 200 K HN -0.038 nan 8.250 nan 0.000 0.441 201 K N 0.130 120.518 120.400 -0.021 0.000 2.211 201 K HA -0.091 4.235 4.320 0.009 0.000 0.203 201 K C 2.134 178.737 176.600 0.005 0.000 1.050 201 K CA 0.630 56.924 56.287 0.012 0.000 0.945 201 K CB 0.026 32.520 32.500 -0.010 0.000 0.732 201 K HN 0.078 nan 8.250 nan 0.000 0.451 202 R N 0.297 120.734 120.500 -0.104 0.000 2.092 202 R HA -0.095 4.251 4.340 0.009 0.000 0.231 202 R C 1.821 178.127 176.300 0.010 0.000 1.119 202 R CA 1.177 57.219 56.100 -0.097 0.000 0.970 202 R CB -0.056 30.129 30.300 -0.191 0.000 0.864 202 R HN 0.068 nan 8.270 nan 0.000 0.440 203 F N 1.023 120.981 119.950 0.014 0.000 2.069 203 F HA -0.227 4.305 4.527 0.009 0.000 0.298 203 F C 2.254 178.058 175.800 0.007 0.000 1.113 203 F CA 0.736 58.699 58.000 -0.062 0.000 1.214 203 F CB -1.295 37.581 39.000 -0.207 0.000 0.978 203 F HN 0.062 nan 8.300 nan 0.000 0.474 204 L N -0.067 121.397 121.223 0.401 0.000 2.043 204 L HA -0.241 4.105 4.340 0.009 0.000 0.212 204 L C 2.582 179.536 176.870 0.141 0.000 1.075 204 L CA 2.163 57.196 54.840 0.321 0.000 0.752 204 L CB -1.475 40.746 42.059 0.269 0.000 0.891 204 L HN 0.212 nan 8.230 nan 0.000 0.432 205 S N -1.052 114.710 115.700 0.104 0.000 2.370 205 S HA -0.241 4.235 4.470 0.009 0.000 0.226 205 S C 1.932 176.537 174.600 0.009 0.000 1.033 205 S CA 1.751 59.980 58.200 0.048 0.000 1.011 205 S CB -0.262 62.965 63.200 0.046 0.000 0.852 205 S HN 0.667 nan 8.310 nan 0.000 0.457 206 E N 0.292 120.516 120.200 0.041 0.000 2.107 206 E HA 0.055 4.410 4.350 0.009 0.000 0.191 206 E C 2.091 178.663 176.600 -0.046 0.000 0.982 206 E CA 0.909 57.315 56.400 0.009 0.000 0.809 206 E CB -0.145 29.595 29.700 0.066 0.000 0.756 206 E HN 0.474 nan 8.360 nan 0.000 0.459 207 L N 0.544 121.753 121.223 -0.024 0.000 2.083 207 L HA -0.183 4.163 4.340 0.009 0.000 0.209 207 L C 2.385 179.208 176.870 -0.078 0.000 1.083 207 L CA 1.257 56.068 54.840 -0.047 0.000 0.752 207 L CB -0.584 41.466 42.059 -0.015 0.000 0.899 207 L HN 0.205 nan 8.230 nan 0.000 0.433 208 T N -0.139 114.366 114.554 -0.083 0.000 2.708 208 T HA -0.171 4.184 4.350 0.009 0.000 0.266 208 T C 2.079 176.561 174.700 -0.362 0.000 1.037 208 T CA 1.235 63.255 62.100 -0.134 0.000 1.146 208 T CB -0.353 68.466 68.868 -0.082 0.000 0.865 208 T HN 0.435 nan 8.240 nan 0.000 0.435 209 A N 1.749 124.243 122.820 -0.544 0.000 1.917 209 A HA 0.037 4.362 4.320 0.009 0.000 0.219 209 A C 2.682 179.944 177.584 -0.536 0.000 1.182 209 A CA 2.093 53.489 52.037 -1.069 0.000 0.633 209 A CB -1.250 17.405 19.000 -0.575 0.000 0.819 209 A HN 0.538 nan 8.150 nan 0.000 0.448 210 A N -0.691 121.983 122.820 -0.243 0.000 1.877 210 A HA -0.185 4.141 4.320 0.009 0.000 0.216 210 A C 2.064 179.616 177.584 -0.055 0.000 1.186 210 A CA 1.862 53.838 52.037 -0.102 0.000 0.620 210 A CB -0.564 18.395 19.000 -0.070 0.000 0.822 210 A HN 0.669 nan 8.150 nan 0.000 0.443 211 E N -0.718 119.443 120.200 -0.065 0.000 2.047 211 E HA -0.087 4.269 4.350 0.009 0.000 0.191 211 E C 2.108 178.731 176.600 0.038 0.000 0.987 211 E CA 0.935 57.334 56.400 -0.000 0.000 0.799 211 E CB -0.410 29.291 29.700 0.001 0.000 0.752 211 E HN 0.512 nan 8.360 nan 0.000 0.449 212 G N 1.544 110.333 108.800 -0.018 0.000 2.459 212 G HA2 -0.294 3.671 3.960 0.009 0.000 0.217 212 G HA3 -0.294 3.671 3.960 0.009 0.000 0.217 212 G C 1.500 176.573 174.900 0.288 0.000 1.183 212 G CA 0.958 46.136 45.100 0.131 0.000 0.776 212 G HN 0.317 nan 8.290 nan 0.000 0.552 213 L N 0.530 121.933 121.223 0.300 0.000 2.081 213 L HA -0.032 4.314 4.340 0.009 0.000 0.212 213 L C 2.497 179.540 176.870 0.288 0.000 1.080 213 L CA 2.447 57.495 54.840 0.347 0.000 0.754 213 L CB -0.520 41.705 42.059 0.275 0.000 0.893 213 L HN 0.255 nan 8.230 nan 0.000 0.433 214 E N -0.625 119.699 120.200 0.206 0.000 2.112 214 E HA -0.084 4.272 4.350 0.009 0.000 0.190 214 E C 2.314 179.017 176.600 0.173 0.000 0.979 214 E CA 0.934 57.446 56.400 0.187 0.000 0.814 214 E CB -0.023 29.769 29.700 0.153 0.000 0.762 214 E HN 0.416 nan 8.360 nan 0.000 0.460 215 R N -0.923 119.677 120.500 0.167 0.000 2.092 215 R HA -0.119 4.227 4.340 0.009 0.000 0.231 215 R C 2.168 178.531 176.300 0.105 0.000 1.119 215 R CA 1.204 57.378 56.100 0.124 0.000 0.970 215 R CB -0.472 29.897 30.300 0.113 0.000 0.864 215 R HN 0.301 nan 8.270 nan 0.000 0.440 216 Y N 1.788 122.125 120.300 0.063 0.000 2.181 216 Y HA -0.173 4.383 4.550 0.010 0.000 0.288 216 Y C 2.099 177.969 175.900 -0.051 0.000 1.146 216 Y CA 1.416 59.525 58.100 0.015 0.000 1.164 216 Y CB -0.132 38.385 38.460 0.094 0.000 0.982 216 Y HN -0.077 nan 8.280 nan 0.000 0.515 217 L N -0.805 120.567 121.223 0.248 0.000 2.017 217 L HA -0.178 4.168 4.340 0.009 0.000 0.208 217 L C 2.740 179.581 176.870 -0.049 0.000 1.073 217 L CA 1.331 56.251 54.840 0.133 0.000 0.745 217 L CB -1.246 40.951 42.059 0.231 0.000 0.894 217 L HN 0.376 nan 8.230 nan 0.000 0.432 218 G N -0.498 108.288 108.800 -0.022 0.000 2.450 218 G HA2 -0.247 3.719 3.960 0.009 0.000 0.220 218 G HA3 -0.247 3.719 3.960 0.009 0.000 0.220 218 G C 1.722 176.531 174.900 -0.153 0.000 1.130 218 G CA 0.895 45.950 45.100 -0.075 0.000 0.760 218 G HN 0.483 nan 8.290 nan 0.000 0.557 219 A N 0.344 123.033 122.820 -0.218 0.000 1.874 219 A HA 0.163 4.489 4.320 0.009 0.000 0.214 219 A C 2.277 179.603 177.584 -0.430 0.000 1.189 219 A CA 1.986 53.848 52.037 -0.291 0.000 0.615 219 A CB -0.219 18.593 19.000 -0.313 0.000 0.830 219 A HN 0.285 nan 8.150 nan 0.000 0.443 220 K N -1.496 118.506 120.400 -0.663 0.000 2.167 220 K HA 0.123 4.448 4.320 0.009 0.000 0.203 220 K C -0.648 175.257 176.600 -1.159 0.000 1.052 220 K CA 0.792 56.445 56.287 -1.057 0.000 0.956 220 K CB -0.034 31.537 32.500 -1.548 0.000 0.735 220 K HN 0.455 nan 8.250 nan 0.000 0.451 221 F N 0.940 120.698 119.950 -0.319 0.000 2.660 221 F HA 0.322 4.855 4.527 0.009 0.000 0.352 221 F C -2.206 173.486 175.800 -0.181 0.000 1.257 221 F CA -2.215 55.619 58.000 -0.276 0.000 1.200 221 F CB 0.878 39.568 39.000 -0.518 0.000 1.473 221 F HN -0.121 nan 8.300 nan 0.000 0.561 227 F N 2.264 122.312 119.950 0.163 0.000 2.438 227 F HA 0.382 4.915 4.527 0.010 0.000 0.315 227 F C 1.216 177.084 175.800 0.114 0.000 1.258 227 F CA -0.257 57.785 58.000 0.070 0.000 1.180 227 F CB 1.830 40.824 39.000 -0.010 0.000 1.412 227 F HN 0.685 nan 8.300 nan 0.000 0.544 228 S N 1.039 116.885 115.700 0.243 0.000 2.572 228 S HA 0.053 4.529 4.470 0.009 0.000 0.279 228 S C 1.049 175.747 174.600 0.163 0.000 1.341 228 S CA -0.624 57.706 58.200 0.216 0.000 1.043 228 S CB 0.887 64.225 63.200 0.230 0.000 0.887 228 S HN 0.572 nan 8.310 nan 0.000 0.516 229 L N 3.199 124.491 121.223 0.116 0.000 2.465 229 L HA 0.257 4.603 4.340 0.009 0.000 0.224 229 L C 0.869 177.731 176.870 -0.014 0.000 1.145 229 L CA 1.065 55.928 54.840 0.039 0.000 0.834 229 L CB -1.079 40.993 42.059 0.022 0.000 0.944 229 L HN 0.792 nan 8.230 nan 0.000 0.451 230 E N -0.647 119.565 120.200 0.021 0.000 2.558 230 E HA 0.258 4.614 4.350 0.009 0.000 0.255 230 E C 1.238 177.714 176.600 -0.206 0.000 0.968 230 E CA 0.816 57.191 56.400 -0.043 0.000 0.939 230 E CB -0.065 29.651 29.700 0.026 0.000 0.921 230 E HN 0.419 nan 8.360 nan 0.000 0.477 231 G N 2.551 111.136 108.800 -0.359 0.000 2.254 231 G HA2 -0.249 3.716 3.960 0.009 0.000 0.225 231 G HA3 -0.249 3.716 3.960 0.009 0.000 0.225 231 G C 0.660 175.165 174.900 -0.658 0.000 1.003 231 G CA -0.176 44.340 45.100 -0.972 0.000 0.622 231 G HN 0.770 nan 8.290 nan 0.000 0.507 232 G N 0.160 108.770 108.800 -0.317 0.000 4.547 232 G HA2 0.511 4.476 3.960 0.009 0.000 0.301 232 G HA3 0.511 4.476 3.960 0.009 0.000 0.301 232 G C 0.473 175.299 174.900 -0.122 0.000 1.240 232 G CA 0.899 45.888 45.100 -0.185 0.000 0.970 232 G HN 0.234 nan 8.290 nan 0.000 0.574 233 D N 1.403 121.733 120.400 -0.117 0.000 2.182 233 D HA -0.109 4.536 4.640 0.009 0.000 0.201 233 D C 2.543 178.789 176.300 -0.089 0.000 0.986 233 D CA 1.230 55.181 54.000 -0.082 0.000 0.847 233 D CB 0.112 40.873 40.800 -0.064 0.000 0.942 233 D HN 0.367 nan 8.370 nan 0.000 0.467 234 A N 0.448 123.205 122.820 -0.105 0.000 2.131 234 A HA -0.120 4.205 4.320 0.009 0.000 0.220 234 A C 1.930 179.445 177.584 -0.116 0.000 1.158 234 A CA 0.575 52.532 52.037 -0.132 0.000 0.665 234 A CB -0.606 18.307 19.000 -0.145 0.000 0.795 234 A HN 0.239 nan 8.150 nan 0.000 0.460 235 L N -0.214 120.955 121.223 -0.090 0.000 2.043 235 L HA -0.211 4.135 4.340 0.009 0.000 0.212 235 L C 2.040 178.867 176.870 -0.072 0.000 1.075 235 L CA 1.779 56.573 54.840 -0.076 0.000 0.752 235 L CB -0.471 41.549 42.059 -0.065 0.000 0.891 235 L HN 0.346 nan 8.230 nan 0.000 0.432 236 I N 0.509 121.040 120.570 -0.064 0.000 2.090 236 I HA -0.145 4.031 4.170 0.009 0.000 0.236 236 I C -0.157 175.938 176.117 -0.037 0.000 1.064 236 I CA 1.441 62.715 61.300 -0.044 0.000 1.324 236 I CB -3.072 34.906 38.000 -0.037 0.000 1.044 236 I HN 0.223 nan 8.210 nan 0.000 0.399 237 P HA -0.195 nan 4.420 nan 0.000 0.219 237 P C 2.089 179.346 177.300 -0.072 0.000 1.146 237 P CA 1.592 64.671 63.100 -0.035 0.000 0.808 237 P CB -0.191 31.437 31.700 -0.120 0.000 0.779 238 M N -0.775 118.755 119.600 -0.116 0.000 2.067 238 M HA -0.145 4.341 4.480 0.009 0.000 0.260 238 M C 2.029 178.284 176.300 -0.074 0.000 1.069 238 M CA 1.923 57.156 55.300 -0.112 0.000 1.117 238 M CB -0.656 31.880 32.600 -0.108 0.000 1.334 238 M HN -0.185 nan 8.290 nan 0.000 0.407 239 L N -0.006 121.176 121.223 -0.068 0.000 2.093 239 L HA -0.176 4.170 4.340 0.009 0.000 0.208 239 L C 2.481 179.298 176.870 -0.088 0.000 1.085 239 L CA 1.252 56.044 54.840 -0.080 0.000 0.755 239 L CB -0.636 41.375 42.059 -0.080 0.000 0.904 239 L HN 0.320 nan 8.230 nan 0.000 0.435 240 K N -0.284 120.096 120.400 -0.033 0.000 2.097 240 K HA -0.208 4.117 4.320 0.009 0.000 0.205 240 K C 2.013 178.632 176.600 0.033 0.000 1.050 240 K CA 1.165 57.459 56.287 0.012 0.000 0.938 240 K CB -0.007 32.574 32.500 0.135 0.000 0.718 240 K HN 0.102 nan 8.250 nan 0.000 0.442 241 E N 1.362 121.593 120.200 0.050 0.000 2.072 241 E HA -0.144 4.212 4.350 0.009 0.000 0.190 241 E C 1.926 178.554 176.600 0.048 0.000 0.982 241 E CA 1.033 57.481 56.400 0.080 0.000 0.803 241 E CB -0.064 29.682 29.700 0.077 0.000 0.755 241 E HN 0.112 nan 8.360 nan 0.000 0.453 242 M N -0.253 119.341 119.600 -0.010 0.000 2.082 242 M HA -0.173 4.313 4.480 0.009 0.000 0.258 242 M C 1.857 178.136 176.300 -0.035 0.000 1.069 242 M CA 1.668 56.959 55.300 -0.015 0.000 1.102 242 M CB -0.188 32.377 32.600 -0.058 0.000 1.336 242 M HN 0.218 nan 8.290 nan 0.000 0.404 243 I N -0.808 119.681 120.570 -0.134 0.000 2.202 243 I HA -0.283 3.892 4.170 0.009 0.000 0.242 243 I C 2.431 178.470 176.117 -0.129 0.000 1.091 243 I CA 1.266 62.411 61.300 -0.258 0.000 1.368 243 I CB -0.434 37.171 38.000 -0.659 0.000 1.058 243 I HN 0.252 nan 8.210 nan 0.000 0.410 244 R N -0.411 120.079 120.500 -0.017 0.000 2.091 244 R HA -0.249 4.096 4.340 0.009 0.000 0.238 244 R C 2.365 178.731 176.300 0.110 0.000 1.136 244 R CA 1.816 57.982 56.100 0.111 0.000 0.959 244 R CB -0.629 29.773 30.300 0.170 0.000 0.856 244 R HN 0.388 nan 8.270 nan 0.000 0.437 245 H N 0.205 119.286 119.070 0.019 0.000 2.457 245 H HA 0.068 4.629 4.556 0.009 0.000 0.294 245 H C 1.750 177.079 175.328 0.002 0.000 1.064 245 H CA 1.350 57.410 56.048 0.020 0.000 1.330 245 H CB 0.072 29.843 29.762 0.016 0.000 1.395 245 H HN 0.267 nan 8.280 nan 0.000 0.541 246 A N -0.330 122.480 122.820 -0.017 0.000 1.897 246 A HA 0.031 4.356 4.320 0.009 0.000 0.215 246 A C 2.682 180.220 177.584 -0.077 0.000 1.181 246 A CA 1.100 53.096 52.037 -0.067 0.000 0.620 246 A CB -1.195 17.775 19.000 -0.049 0.000 0.821 246 A HN 0.551 nan 8.150 nan 0.000 0.443 247 G N 0.696 109.472 108.800 -0.040 0.000 2.529 247 G HA2 -0.335 3.631 3.960 0.009 0.000 0.219 247 G HA3 -0.335 3.631 3.960 0.009 0.000 0.219 247 G C 1.234 176.110 174.900 -0.039 0.000 1.177 247 G CA 1.234 46.326 45.100 -0.013 0.000 0.773 247 G HN 0.548 nan 8.290 nan 0.000 0.573 248 N N 0.743 119.403 118.700 -0.067 0.000 2.520 248 N HA -0.015 4.731 4.740 0.009 0.000 0.185 248 N C 1.818 177.249 175.510 -0.133 0.000 1.068 248 N CA 0.768 53.766 53.050 -0.087 0.000 0.911 248 N CB 0.029 38.465 38.487 -0.086 0.000 0.961 248 N HN 0.221 nan 8.380 nan 0.000 0.446 249 S N -0.840 114.760 115.700 -0.168 0.000 2.577 249 S HA 0.255 4.731 4.470 0.009 0.000 0.219 249 S C 1.321 175.867 174.600 -0.089 0.000 0.962 249 S CA 0.241 58.350 58.200 -0.152 0.000 0.921 249 S CB 0.327 63.416 63.200 -0.184 0.000 0.789 249 S HN 0.516 nan 8.310 nan 0.000 0.497 250 G N 2.131 110.891 108.800 -0.067 0.000 2.153 250 G HA2 -0.268 3.698 3.960 0.009 0.000 0.252 250 G HA3 -0.268 3.698 3.960 0.009 0.000 0.252 250 G C 0.123 174.997 174.900 -0.043 0.000 0.994 250 G CA 0.388 45.460 45.100 -0.047 0.000 0.698 250 G HN 0.465 nan 8.290 nan 0.000 0.521 251 T N 0.226 114.751 114.554 -0.048 0.000 2.870 251 T HA 0.427 4.783 4.350 0.009 0.000 0.300 251 T C 1.400 176.086 174.700 -0.024 0.000 0.989 251 T CA 0.024 62.101 62.100 -0.040 0.000 1.139 251 T CB 1.335 70.176 68.868 -0.046 0.000 0.920 251 T HN 0.163 nan 8.240 nan 0.000 0.537 252 R N 1.487 121.977 120.500 -0.017 0.000 2.279 252 R HA 0.308 4.654 4.340 0.009 0.000 0.195 252 R C 0.295 176.611 176.300 0.027 0.000 0.905 252 R CA 0.371 56.473 56.100 0.002 0.000 1.044 252 R CB 0.363 30.659 30.300 -0.007 0.000 1.056 252 R HN 0.662 nan 8.270 nan 0.000 0.535 253 E N -0.550 119.657 120.200 0.011 0.000 2.314 253 E HA 0.432 4.788 4.350 0.009 0.000 0.272 253 E C -1.439 175.149 176.600 -0.021 0.000 0.884 253 E CA -0.636 55.782 56.400 0.031 0.000 0.753 253 E CB 3.242 32.972 29.700 0.051 0.000 1.213 253 E HN -0.274 nan 8.360 nan 0.000 0.432 254 V N 3.135 123.018 119.914 -0.052 0.000 2.487 254 V HA 0.381 4.507 4.120 0.009 0.000 0.298 254 V C -0.715 175.325 176.094 -0.090 0.000 1.028 254 V CA -0.765 61.486 62.300 -0.081 0.000 0.860 254 V CB 1.763 33.515 31.823 -0.118 0.000 0.991 254 V HN 0.417 nan 8.190 nan 0.000 0.427 255 V N 6.555 126.423 119.914 -0.077 0.000 2.409 255 V HA 0.568 4.694 4.120 0.009 0.000 0.291 255 V C -0.517 175.525 176.094 -0.086 0.000 1.020 255 V CA -0.570 61.684 62.300 -0.077 0.000 0.848 255 V CB 1.448 33.231 31.823 -0.066 0.000 0.990 255 V HN 0.604 nan 8.190 nan 0.000 0.430 256 L N 3.947 125.114 121.223 -0.093 0.000 2.346 256 L HA 0.923 5.269 4.340 0.009 0.000 0.274 256 L C 0.572 177.381 176.870 -0.101 0.000 1.007 256 L CA 0.106 54.885 54.840 -0.102 0.000 0.818 256 L CB 2.042 44.037 42.059 -0.107 0.000 1.284 256 L HN 0.780 nan 8.230 nan 0.000 0.424 257 G N 2.733 111.466 108.800 -0.111 0.000 2.524 257 G HA2 0.822 4.788 3.960 0.009 0.000 0.310 257 G HA3 0.822 4.788 3.960 0.009 0.000 0.310 257 G C -0.924 173.894 174.900 -0.137 0.000 1.279 257 G CA -0.524 44.513 45.100 -0.105 0.000 0.974 257 G HN 0.610 nan 8.290 nan 0.000 0.484 258 M N 0.413 119.945 119.600 -0.113 0.000 3.693 258 M HA 0.859 5.344 4.480 0.009 0.000 0.313 258 M C -0.425 175.830 176.300 -0.074 0.000 1.498 258 M CA -0.934 54.292 55.300 -0.123 0.000 0.845 258 M CB 1.150 33.677 32.600 -0.121 0.000 1.920 258 M HN 0.861 nan 8.290 nan 0.000 0.471 259 A N -0.440 122.329 122.820 -0.085 0.000 3.934 259 A HA 0.616 4.942 4.320 0.009 0.000 0.163 259 A C 0.967 178.518 177.584 -0.054 0.000 1.103 259 A CA 0.362 52.374 52.037 -0.041 0.000 1.170 259 A CB -0.421 18.542 19.000 -0.062 0.000 1.564 259 A HN 1.069 nan 8.150 nan 0.000 0.705 260 H N -0.287 118.689 119.070 -0.157 0.000 2.406 260 H HA 0.167 4.729 4.556 0.010 0.000 0.304 260 H C 0.954 176.169 175.328 -0.188 0.000 1.042 260 H CA 0.569 56.445 56.048 -0.286 0.000 1.360 260 H CB -0.542 28.729 29.762 -0.819 0.000 1.448 260 H HN 0.417 nan 8.280 nan 0.000 0.553 261 R N 1.646 121.798 120.500 -0.580 0.000 2.480 261 R HA 0.110 4.455 4.340 0.009 0.000 0.303 261 R C 0.956 177.217 176.300 -0.065 0.000 0.985 261 R CA 1.427 57.420 56.100 -0.179 0.000 1.051 261 R CB -0.427 29.734 30.300 -0.232 0.000 0.935 261 R HN 0.757 nan 8.270 nan 0.000 0.410 262 G N 3.533 112.368 108.800 0.059 0.000 2.176 262 G HA2 -0.362 3.604 3.960 0.009 0.000 0.253 262 G HA3 -0.362 3.604 3.960 0.009 0.000 0.253 262 G C 0.901 175.833 174.900 0.054 0.000 0.979 262 G CA 0.473 45.600 45.100 0.045 0.000 0.641 262 G HN 0.631 nan 8.290 nan 0.000 0.530 263 R N 0.704 121.260 120.500 0.093 0.000 2.066 263 R HA 0.222 4.568 4.340 0.009 0.000 0.232 263 R C 2.682 179.017 176.300 0.060 0.000 1.131 263 R CA 2.094 58.236 56.100 0.070 0.000 0.955 263 R CB -0.698 29.680 30.300 0.129 0.000 0.851 263 R HN 0.473 nan 8.270 nan 0.000 0.432 264 L N 0.718 122.023 121.223 0.136 0.000 2.079 264 L HA -0.208 4.137 4.340 0.009 0.000 0.210 264 L C 2.319 179.216 176.870 0.046 0.000 1.081 264 L CA 1.555 56.446 54.840 0.085 0.000 0.752 264 L CB -0.798 41.380 42.059 0.198 0.000 0.896 264 L HN 0.393 nan 8.230 nan 0.000 0.433 265 N N 0.177 118.920 118.700 0.072 0.000 2.142 265 N HA -0.132 4.614 4.740 0.009 0.000 0.186 265 N C 1.841 177.349 175.510 -0.003 0.000 1.023 265 N CA 1.160 54.237 53.050 0.045 0.000 0.852 265 N CB 0.102 38.620 38.487 0.052 0.000 0.998 265 N HN 0.077 nan 8.380 nan 0.000 0.424 266 V N 1.650 121.553 119.914 -0.019 0.000 2.427 266 V HA -0.162 3.963 4.120 0.009 0.000 0.248 266 V C 2.476 178.520 176.094 -0.084 0.000 1.051 266 V CA 0.984 63.258 62.300 -0.045 0.000 1.048 266 V CB -0.335 31.456 31.823 -0.052 0.000 0.666 266 V HN 0.259 nan 8.190 nan 0.000 0.456 267 L N -0.824 120.327 121.223 -0.120 0.000 2.083 267 L HA -0.152 4.194 4.340 0.009 0.000 0.209 267 L C 2.284 178.973 176.870 -0.302 0.000 1.083 267 L CA 1.236 55.930 54.840 -0.244 0.000 0.752 267 L CB -0.331 41.572 42.059 -0.260 0.000 0.899 267 L HN 0.200 nan 8.230 nan 0.000 0.433 268 V N -1.000 118.801 119.914 -0.189 0.000 2.492 268 V HA -0.052 4.073 4.120 0.009 0.000 0.241 268 V C 1.590 177.629 176.094 -0.092 0.000 1.041 268 V CA 1.163 63.353 62.300 -0.184 0.000 1.057 268 V CB -0.274 31.472 31.823 -0.128 0.000 0.711 268 V HN 0.425 nan 8.190 nan 0.000 0.468 269 N N -0.466 118.222 118.700 -0.020 0.000 2.336 269 N HA 0.091 4.837 4.740 0.009 0.000 0.189 269 N C 1.092 176.638 175.510 0.060 0.000 1.113 269 N CA 0.543 53.616 53.050 0.038 0.000 0.858 269 N CB 1.439 39.952 38.487 0.043 0.000 0.970 269 N HN 0.358 nan 8.380 nan 0.000 0.471 270 V N -0.297 119.640 119.914 0.038 0.000 3.029 270 V HA 0.156 4.282 4.120 0.009 0.000 0.230 270 V C 1.990 178.176 176.094 0.154 0.000 1.254 270 V CA 0.181 62.539 62.300 0.098 0.000 1.276 270 V CB 0.162 31.997 31.823 0.020 0.000 1.080 270 V HN -0.004 nan 8.190 nan 0.000 0.495 271 L N 0.736 121.984 121.223 0.042 0.000 2.131 271 L HA 0.325 4.671 4.340 0.009 0.000 0.206 271 L C 1.708 178.680 176.870 0.170 0.000 1.087 271 L CA 1.588 56.489 54.840 0.102 0.000 0.767 271 L CB -0.092 41.952 42.059 -0.025 0.000 0.917 271 L HN 0.630 nan 8.230 nan 0.000 0.441 272 G N -0.079 108.652 108.800 -0.115 0.000 2.159 272 G HA2 -0.227 3.739 3.960 0.009 0.000 0.170 272 G HA3 -0.227 3.739 3.960 0.009 0.000 0.170 272 G C 0.211 174.765 174.900 -0.576 0.000 1.007 272 G CA -0.206 44.736 45.100 -0.264 0.000 0.672 272 G HN 0.193 nan 8.290 nan 0.000 0.507 273 K N 1.169 121.090 120.400 -0.799 0.000 2.489 273 K HA 0.279 4.604 4.320 0.009 0.000 0.278 273 K C 0.513 176.825 176.600 -0.479 0.000 1.000 273 K CA 0.009 55.808 56.287 -0.814 0.000 1.012 273 K CB 0.227 32.183 32.500 -0.906 0.000 0.903 273 K HN 0.213 nan 8.250 nan 0.000 0.485 274 K N 5.716 125.899 120.400 -0.362 0.000 2.412 274 K HA 0.019 4.345 4.320 0.009 0.000 0.284 274 K C -1.888 174.483 176.600 -0.382 0.000 1.046 274 K CA -1.445 54.639 56.287 -0.338 0.000 0.999 274 K CB 0.709 33.060 32.500 -0.248 0.000 0.941 274 K HN 0.436 nan 8.250 nan 0.000 0.474 275 P HA -0.275 nan 4.420 nan 0.000 0.218 275 P C 1.151 177.837 177.300 -1.023 0.000 1.152 275 P CA 1.238 63.867 63.100 -0.786 0.000 0.857 275 P CB 0.285 31.574 31.700 -0.685 0.000 0.787 276 Q N -0.124 119.387 119.800 -0.482 0.000 2.050 276 Q HA -0.182 4.164 4.340 0.009 0.000 0.202 276 Q C 1.699 177.623 176.000 -0.128 0.000 0.980 276 Q CA 1.872 57.566 55.803 -0.182 0.000 0.840 276 Q CB -1.112 27.599 28.738 -0.044 0.000 0.898 276 Q HN 0.178 nan 8.270 nan 0.000 0.424 277 D N -0.037 120.271 120.400 -0.154 0.000 2.116 277 D HA -0.208 4.438 4.640 0.009 0.000 0.193 277 D C 1.837 178.071 176.300 -0.110 0.000 0.998 277 D CA 1.043 54.986 54.000 -0.095 0.000 0.836 277 D CB -0.362 40.398 40.800 -0.067 0.000 0.951 277 D HN 0.281 nan 8.370 nan 0.000 0.449 278 L N -0.304 120.796 121.223 -0.205 0.000 2.046 278 L HA -0.162 4.183 4.340 0.009 0.000 0.208 278 L C 2.370 179.328 176.870 0.147 0.000 1.077 278 L CA 1.149 55.918 54.840 -0.119 0.000 0.747 278 L CB -0.278 41.673 42.059 -0.179 0.000 0.896 278 L HN 0.056 nan 8.230 nan 0.000 0.432 279 F N -0.018 120.025 119.950 0.154 0.000 2.113 279 F HA -0.259 4.274 4.527 0.010 0.000 0.297 279 F C 2.346 178.206 175.800 0.100 0.000 1.103 279 F CA 0.532 58.669 58.000 0.228 0.000 1.248 279 F CB -0.323 38.839 39.000 0.270 0.000 0.999 279 F HN 0.168 nan 8.300 nan 0.000 0.475 280 D N 0.565 121.096 120.400 0.219 0.000 2.133 280 D HA -0.198 4.448 4.640 0.009 0.000 0.195 280 D C 1.916 178.159 176.300 -0.095 0.000 0.997 280 D CA 1.365 55.398 54.000 0.054 0.000 0.840 280 D CB -0.520 40.282 40.800 0.003 0.000 0.947 280 D HN 0.363 nan 8.370 nan 0.000 0.452 281 E N -0.666 119.448 120.200 -0.143 0.000 2.085 281 E HA -0.150 4.206 4.350 0.009 0.000 0.194 281 E C 1.984 178.388 176.600 -0.326 0.000 0.994 281 E CA 0.605 56.816 56.400 -0.314 0.000 0.801 281 E CB -0.209 29.328 29.700 -0.273 0.000 0.743 281 E HN 0.295 nan 8.360 nan 0.000 0.453 282 F N 0.015 119.768 119.950 -0.329 0.000 2.333 282 F HA -0.112 4.421 4.527 0.009 0.000 0.300 282 F C 2.017 177.618 175.800 -0.331 0.000 1.083 282 F CA 0.802 58.505 58.000 -0.497 0.000 1.395 282 F CB 0.125 38.364 39.000 -1.268 0.000 1.056 282 F HN 0.020 nan 8.300 nan 0.000 0.529 283 A N -0.650 122.143 122.820 -0.045 0.000 2.308 283 A HA 0.458 4.783 4.320 0.009 0.000 0.217 283 A C 1.905 179.464 177.584 -0.041 0.000 1.216 283 A CA 0.615 52.661 52.037 0.016 0.000 0.864 283 A CB -0.833 18.215 19.000 0.080 0.000 0.902 283 A HN 0.484 nan 8.150 nan 0.000 0.499 284 G N -0.525 108.184 108.800 -0.152 0.000 2.155 284 G HA2 -0.268 3.698 3.960 0.009 0.000 0.257 284 G HA3 -0.268 3.698 3.960 0.009 0.000 0.257 284 G C 0.205 174.997 174.900 -0.179 0.000 0.983 284 G CA 0.587 45.602 45.100 -0.142 0.000 0.676 284 G HN 0.618 nan 8.290 nan 0.000 0.528 285 K N 0.252 120.512 120.400 -0.233 0.000 2.316 285 K HA 0.564 4.890 4.320 0.009 0.000 0.289 285 K C 0.254 176.679 176.600 -0.291 0.000 1.070 285 K CA -0.216 55.979 56.287 -0.154 0.000 0.928 285 K CB 0.824 33.284 32.500 -0.067 0.000 1.039 285 K HN 0.668 nan 8.250 nan 0.000 0.480 292 T N -1.887 112.627 114.554 -0.066 0.000 3.067 292 T HA 0.465 4.820 4.350 0.009 0.000 0.257 292 T C 1.583 176.229 174.700 -0.090 0.000 1.105 292 T CA 1.366 63.420 62.100 -0.076 0.000 1.104 292 T CB -0.282 68.537 68.868 -0.083 0.000 0.925 292 T HN 2.603 nan 8.240 nan 0.000 0.498 293 G N 0.643 109.392 108.800 -0.083 0.000 2.725 293 G HA2 0.147 4.112 3.960 0.009 0.000 0.220 293 G HA3 0.147 4.112 3.960 0.009 0.000 0.220 293 G C -1.050 173.839 174.900 -0.018 0.000 1.357 293 G CA -0.125 44.946 45.100 -0.049 0.000 0.866 293 G HN 0.772 nan 8.290 nan 0.000 0.548 294 D N -2.537 117.893 120.400 0.050 0.000 2.738 294 D HA 0.520 5.166 4.640 0.009 0.000 0.308 294 D C 0.227 176.575 176.300 0.079 0.000 1.311 294 D CA 0.530 54.606 54.000 0.127 0.000 0.799 294 D CB 1.194 42.212 40.800 0.364 0.000 1.332 294 D HN 1.452 nan 8.370 nan 0.000 0.441 295 V N 0.508 120.438 119.914 0.026 0.000 2.834 295 V HA 0.390 4.516 4.120 0.009 0.000 0.301 295 V C 1.678 177.692 176.094 -0.132 0.000 1.066 295 V CA 0.173 62.421 62.300 -0.086 0.000 1.052 295 V CB 1.085 32.838 31.823 -0.118 0.000 1.021 295 V HN 0.727 nan 8.190 nan 0.000 0.480 296 K N 1.312 121.553 120.400 -0.265 0.000 2.209 296 K HA -0.169 4.156 4.320 0.009 0.000 0.204 296 K C 1.320 177.716 176.600 -0.340 0.000 1.048 296 K CA 2.038 58.112 56.287 -0.355 0.000 0.940 296 K CB -0.581 31.546 32.500 -0.621 0.000 0.729 296 K HN 0.775 nan 8.250 nan 0.000 0.451 297 Y N 1.131 121.364 120.300 -0.110 0.000 2.578 297 Y HA 0.012 4.568 4.550 0.009 0.000 0.297 297 Y C 1.130 177.050 175.900 0.033 0.000 1.176 297 Y CA 0.652 58.727 58.100 -0.043 0.000 1.315 297 Y CB -0.316 38.138 38.460 -0.011 0.000 1.031 297 Y HN 0.295 nan 8.280 nan 0.000 0.524 298 H N -1.839 117.303 119.070 0.120 0.000 2.586 298 H HA 0.156 4.717 4.556 0.009 0.000 0.273 298 H C 0.498 175.766 175.328 -0.101 0.000 0.997 298 H CA -0.606 55.478 56.048 0.061 0.000 1.177 298 H CB 0.342 30.229 29.762 0.208 0.000 1.471 298 H HN 0.048 nan 8.280 nan 0.000 0.538 299 M N 1.571 121.157 119.600 -0.025 0.000 2.245 299 M HA 0.130 4.616 4.480 0.009 0.000 0.344 299 M C 1.051 176.968 176.300 -0.638 0.000 1.170 299 M CA 0.144 55.292 55.300 -0.252 0.000 1.135 299 M CB 0.601 33.155 32.600 -0.076 0.000 1.574 299 M HN 0.252 nan 8.290 nan 0.000 0.452 300 G N 1.321 109.181 108.800 -1.566 0.000 2.753 300 G HA2 0.798 4.764 3.960 0.009 0.000 0.285 300 G HA3 0.798 4.764 3.960 0.009 0.000 0.285 300 G C -1.802 172.800 174.900 -0.495 0.000 1.344 300 G CA -0.401 44.044 45.100 -1.092 0.000 1.050 300 G HN 0.564 nan 8.290 nan 0.000 0.532 301 F N -1.012 118.710 119.950 -0.379 0.000 2.690 301 F HA 0.484 5.017 4.527 0.009 0.000 0.311 301 F C -0.551 175.208 175.800 -0.069 0.000 1.111 301 F CA -0.632 57.283 58.000 -0.141 0.000 1.003 301 F CB 1.823 40.755 39.000 -0.113 0.000 1.283 301 F HN 0.500 nan 8.300 nan 0.000 0.442 302 S N 2.546 118.061 115.700 -0.308 0.000 2.513 302 S HA 0.888 5.364 4.470 0.009 0.000 0.299 302 S C -1.056 173.487 174.600 -0.095 0.000 1.087 302 S CA -0.494 57.612 58.200 -0.156 0.000 1.012 302 S CB 1.855 65.019 63.200 -0.060 0.000 1.044 302 S HN 0.870 nan 8.310 nan 0.000 0.485 303 S N 1.474 117.157 115.700 -0.028 0.000 2.595 303 S HA 0.588 5.063 4.470 0.009 0.000 0.270 303 S C -2.408 172.192 174.600 -0.000 0.000 1.145 303 S CA -0.937 57.336 58.200 0.122 0.000 0.825 303 S CB 1.301 64.827 63.200 0.544 0.000 1.107 303 S HN 0.434 nan 8.310 nan 0.000 0.461 304 D N 0.290 120.648 120.400 -0.070 0.000 2.272 304 D HA 0.711 5.357 4.640 0.009 0.000 0.247 304 D C -1.509 174.798 176.300 0.011 0.000 0.990 304 D CA -0.173 53.818 54.000 -0.016 0.000 0.931 304 D CB 1.491 42.237 40.800 -0.090 0.000 1.195 304 D HN 0.503 nan 8.370 nan 0.000 0.477 305 F N 1.461 121.367 119.950 -0.073 0.000 2.671 305 F HA 0.174 4.707 4.527 0.009 0.000 0.332 305 F C -0.725 175.065 175.800 -0.016 0.000 1.189 305 F CA -0.862 57.125 58.000 -0.021 0.000 0.988 305 F CB 1.597 40.604 39.000 0.013 0.000 1.258 305 F HN -0.000 nan 8.300 nan 0.000 0.471 306 Q N 4.515 124.257 119.800 -0.098 0.000 2.307 306 Q HA 0.315 4.661 4.340 0.009 0.000 0.261 306 Q C -0.150 175.874 176.000 0.040 0.000 1.051 306 Q CA 0.089 55.877 55.803 -0.026 0.000 0.911 306 Q CB 0.779 29.466 28.738 -0.086 0.000 1.227 306 Q HN 0.684 nan 8.270 nan 0.000 0.418 307 T N -0.060 114.594 114.554 0.167 0.000 2.948 307 T HA 0.326 4.682 4.350 0.009 0.000 0.285 307 T C 0.394 175.146 174.700 0.086 0.000 1.019 307 T CA -0.730 61.473 62.100 0.172 0.000 1.013 307 T CB 0.946 69.947 68.868 0.220 0.000 1.117 307 T HN 0.447 nan 8.240 nan 0.000 0.533 308 D N 0.707 121.152 120.400 0.076 0.000 2.265 308 D HA 0.063 4.709 4.640 0.009 0.000 0.208 308 D C 1.947 178.268 176.300 0.035 0.000 0.977 308 D CA 1.486 55.514 54.000 0.047 0.000 0.871 308 D CB -0.450 40.379 40.800 0.047 0.000 0.925 308 D HN 0.808 nan 8.370 nan 0.000 0.485 309 G N -1.333 107.489 108.800 0.038 0.000 2.921 309 G HA2 0.463 4.428 3.960 0.009 0.000 0.213 309 G HA3 0.463 4.428 3.960 0.009 0.000 0.213 309 G C 0.621 175.531 174.900 0.017 0.000 1.143 309 G CA 0.349 45.459 45.100 0.017 0.000 0.764 309 G HN 0.533 nan 8.290 nan 0.000 0.542 310 G N -0.833 107.987 108.800 0.033 0.000 2.347 310 G HA2 0.149 4.114 3.960 0.009 0.000 0.321 310 G HA3 0.149 4.114 3.960 0.009 0.000 0.321 310 G C -0.976 173.955 174.900 0.053 0.000 1.412 310 G CA -1.059 44.060 45.100 0.031 0.000 0.990 310 G HN 0.242 nan 8.290 nan 0.000 0.637 311 L N -0.013 121.237 121.223 0.045 0.000 2.485 311 L HA 0.433 4.778 4.340 0.009 0.000 0.275 311 L C 0.133 177.050 176.870 0.079 0.000 1.207 311 L CA -0.058 54.819 54.840 0.061 0.000 0.855 311 L CB 0.979 43.061 42.059 0.038 0.000 1.114 311 L HN 0.381 nan 8.230 nan 0.000 0.485 312 V N 2.689 122.673 119.914 0.117 0.000 2.531 312 V HA 0.191 4.317 4.120 0.009 0.000 0.301 312 V C -0.391 175.769 176.094 0.110 0.000 1.034 312 V CA -0.806 61.549 62.300 0.092 0.000 0.865 312 V CB 1.611 33.463 31.823 0.048 0.000 0.995 312 V HN 0.632 nan 8.190 nan 0.000 0.424 313 H N 5.122 124.192 119.070 -0.001 0.000 2.683 313 H HA 0.597 5.158 4.556 0.009 0.000 0.339 313 H C -0.815 174.503 175.328 -0.017 0.000 1.081 313 H CA -0.001 56.038 56.048 -0.015 0.000 1.432 313 H CB 0.736 30.474 29.762 -0.039 0.000 1.462 313 H HN 0.539 nan 8.280 nan 0.000 0.557 314 L N 4.178 125.051 121.223 -0.584 0.000 2.341 314 L HA 0.661 5.007 4.340 0.009 0.000 0.278 314 L C -0.562 176.009 176.870 -0.499 0.000 1.005 314 L CA -1.087 53.520 54.840 -0.389 0.000 0.818 314 L CB 1.795 43.759 42.059 -0.158 0.000 1.259 314 L HN 0.709 nan 8.230 nan 0.000 0.418 315 A N 4.026 126.681 122.820 -0.276 0.000 2.375 315 A HA 0.672 4.998 4.320 0.009 0.000 0.291 315 A C -1.281 176.245 177.584 -0.097 0.000 1.160 315 A CA -0.405 51.538 52.037 -0.157 0.000 0.747 315 A CB 1.394 20.363 19.000 -0.052 0.000 1.170 315 A HN 0.566 nan 8.150 nan 0.000 0.458 316 L N 3.058 124.231 121.223 -0.082 0.000 2.282 316 L HA 0.808 5.153 4.340 0.009 0.000 0.288 316 L C 0.416 177.188 176.870 -0.164 0.000 1.033 316 L CA -0.142 54.634 54.840 -0.106 0.000 0.807 316 L CB 1.307 43.312 42.059 -0.090 0.000 1.209 316 L HN 0.840 nan 8.230 nan 0.000 0.423 317 A N 4.537 127.271 122.820 -0.143 0.000 2.407 317 A HA 0.441 4.766 4.320 0.009 0.000 0.248 317 A C -0.301 177.113 177.584 -0.285 0.000 1.082 317 A CA -0.262 51.704 52.037 -0.117 0.000 0.785 317 A CB -0.201 18.774 19.000 -0.041 0.000 1.020 317 A HN 0.642 nan 8.150 nan 0.000 0.489 318 F N 2.078 121.828 119.950 -0.333 0.000 2.450 318 F HA 0.304 4.836 4.527 0.009 0.000 0.339 318 F C 1.246 176.635 175.800 -0.685 0.000 1.146 318 F CA 0.661 58.232 58.000 -0.715 0.000 1.267 318 F CB 0.834 38.991 39.000 -1.405 0.000 1.178 318 F HN 0.785 nan 8.300 nan 0.000 0.585 319 N N 1.450 119.855 118.700 -0.490 0.000 2.823 319 N HA 0.455 5.201 4.740 0.009 0.000 0.251 319 N C -3.527 171.808 175.510 -0.292 0.000 1.392 319 N CA -1.730 51.156 53.050 -0.275 0.000 0.864 319 N CB 2.632 41.102 38.487 -0.028 0.000 1.481 319 N HN 0.112 nan 8.380 nan 0.000 0.508 320 P HA 0.276 nan 4.420 nan 0.000 0.297 320 P C 0.402 177.435 177.300 -0.445 0.000 1.307 320 P CA -0.244 62.639 63.100 -0.362 0.000 0.773 320 P CB 0.924 32.517 31.700 -0.178 0.000 1.265 321 S N -1.999 113.592 115.700 -0.182 0.000 2.419 321 S HA -0.100 4.376 4.470 0.009 0.000 0.233 321 S C 0.492 175.098 174.600 0.009 0.000 1.016 321 S CA 0.986 59.200 58.200 0.022 0.000 0.974 321 S CB -1.191 62.056 63.200 0.079 0.000 0.786 321 S HN 0.550 nan 8.310 nan 0.000 0.492 322 H N 0.940 119.991 119.070 -0.032 0.000 3.034 322 H HA 0.181 4.742 4.556 0.009 0.000 0.324 322 H C 0.011 175.368 175.328 0.048 0.000 1.015 322 H CA 0.197 56.256 56.048 0.018 0.000 1.429 322 H CB -0.031 29.752 29.762 0.035 0.000 1.429 322 H HN 0.197 nan 8.280 nan 0.000 0.585 323 L N 3.754 125.061 121.223 0.139 0.000 2.331 323 L HA 0.114 4.460 4.340 0.009 0.000 0.278 323 L C 0.737 177.694 176.870 0.145 0.000 1.106 323 L CA -0.077 54.839 54.840 0.127 0.000 0.824 323 L CB 0.692 42.812 42.059 0.102 0.000 1.142 323 L HN 0.797 nan 8.230 nan 0.000 0.443 324 E N 1.350 121.637 120.200 0.146 0.000 4.273 324 E HA -0.232 4.124 4.350 0.009 0.000 0.390 324 E C 0.770 177.453 176.600 0.138 0.000 0.590 324 E CA 0.794 57.289 56.400 0.158 0.000 1.435 324 E CB -0.947 28.841 29.700 0.146 0.000 1.844 324 E HN 0.686 nan 8.360 nan 0.000 0.369 325 I N 0.679 121.339 120.570 0.150 0.000 3.251 325 I HA 0.038 4.214 4.170 0.009 0.000 0.277 325 I C 1.945 178.106 176.117 0.074 0.000 1.268 325 I CA 0.727 62.099 61.300 0.120 0.000 1.449 325 I CB 0.209 38.316 38.000 0.179 0.000 1.083 325 I HN 0.087 nan 8.210 nan 0.000 0.464 326 V N -0.656 119.342 119.914 0.140 0.000 2.970 326 V HA -0.144 3.982 4.120 0.009 0.000 0.260 326 V C 2.339 178.444 176.094 0.018 0.000 1.100 326 V CA 1.659 64.018 62.300 0.098 0.000 1.122 326 V CB -0.302 31.604 31.823 0.138 0.000 0.721 326 V HN 0.483 nan 8.190 nan 0.000 0.483 327 S N 1.208 116.935 115.700 0.044 0.000 2.344 327 S HA -0.083 4.393 4.470 0.009 0.000 0.217 327 S C -0.080 174.541 174.600 0.034 0.000 1.033 327 S CA 2.003 60.233 58.200 0.050 0.000 1.017 327 S CB -1.162 62.124 63.200 0.143 0.000 0.941 327 S HN 0.655 nan 8.310 nan 0.000 0.430 328 P HA 0.009 nan 4.420 nan 0.000 0.220 328 P C 1.422 178.738 177.300 0.028 0.000 1.148 328 P CA 0.817 63.965 63.100 0.080 0.000 0.803 328 P CB -0.187 31.555 31.700 0.069 0.000 0.782 329 V N 0.304 120.182 119.914 -0.061 0.000 2.307 329 V HA -0.187 3.939 4.120 0.009 0.000 0.245 329 V C 2.827 178.856 176.094 -0.108 0.000 1.045 329 V CA 1.637 63.875 62.300 -0.103 0.000 1.024 329 V CB -1.179 30.548 31.823 -0.160 0.000 0.651 329 V HN -0.049 nan 8.190 nan 0.000 0.449 330 V N -0.083 119.787 119.914 -0.073 0.000 2.332 330 V HA -0.284 3.842 4.120 0.009 0.000 0.248 330 V C 2.192 178.220 176.094 -0.110 0.000 1.055 330 V CA 2.258 64.509 62.300 -0.081 0.000 1.038 330 V CB -0.472 31.315 31.823 -0.060 0.000 0.651 330 V HN 0.448 nan 8.190 nan 0.000 0.450 331 I N 0.311 120.835 120.570 -0.077 0.000 2.252 331 I HA -0.150 4.026 4.170 0.009 0.000 0.245 331 I C 2.604 178.544 176.117 -0.296 0.000 1.102 331 I CA 1.576 62.848 61.300 -0.047 0.000 1.385 331 I CB -1.033 37.046 38.000 0.133 0.000 1.064 331 I HN 0.427 nan 8.210 nan 0.000 0.414 332 G N -0.021 108.362 108.800 -0.694 0.000 2.446 332 G HA2 -0.327 3.638 3.960 0.009 0.000 0.217 332 G HA3 -0.327 3.638 3.960 0.009 0.000 0.217 332 G C 1.765 176.311 174.900 -0.591 0.000 1.168 332 G CA 1.131 45.428 45.100 -1.339 0.000 0.771 332 G HN 0.358 nan 8.290 nan 0.000 0.551 333 S N -0.462 115.018 115.700 -0.367 0.000 2.372 333 S HA -0.166 4.310 4.470 0.009 0.000 0.227 333 S C 2.518 176.968 174.600 -0.250 0.000 1.044 333 S CA 1.739 59.778 58.200 -0.268 0.000 1.050 333 S CB -0.371 62.730 63.200 -0.166 0.000 0.901 333 S HN 0.150 nan 8.310 nan 0.000 0.447 334 V N 1.852 121.649 119.914 -0.194 0.000 2.343 334 V HA -0.109 4.016 4.120 0.009 0.000 0.247 334 V C 2.625 178.643 176.094 -0.126 0.000 1.051 334 V CA 2.118 64.340 62.300 -0.130 0.000 1.036 334 V CB -0.749 31.027 31.823 -0.077 0.000 0.654 334 V HN 0.392 nan 8.190 nan 0.000 0.451 335 R N 1.216 121.645 120.500 -0.118 0.000 2.081 335 R HA -0.099 4.247 4.340 0.009 0.000 0.235 335 R C 2.130 178.369 176.300 -0.103 0.000 1.131 335 R CA 1.972 58.076 56.100 0.006 0.000 0.960 335 R CB -1.034 29.416 30.300 0.251 0.000 0.856 335 R HN 0.439 nan 8.270 nan 0.000 0.436 336 A N 0.595 123.144 122.820 -0.451 0.000 1.877 336 A HA -0.161 4.164 4.320 0.009 0.000 0.216 336 A C 2.220 179.581 177.584 -0.371 0.000 1.186 336 A CA 1.740 53.288 52.037 -0.815 0.000 0.620 336 A CB -0.487 17.796 19.000 -1.195 0.000 0.822 336 A HN 0.413 nan 8.150 nan 0.000 0.443 337 R N -0.596 119.749 120.500 -0.258 0.000 2.127 337 R HA -0.039 4.307 4.340 0.009 0.000 0.238 337 R C 1.949 178.182 176.300 -0.112 0.000 1.134 337 R CA 1.416 57.422 56.100 -0.158 0.000 0.975 337 R CB -0.468 29.765 30.300 -0.112 0.000 0.865 337 R HN 0.516 nan 8.270 nan 0.000 0.447 338 L N 0.264 121.431 121.223 -0.093 0.000 2.156 338 L HA -0.122 4.223 4.340 0.009 0.000 0.208 338 L C 1.287 178.133 176.870 -0.040 0.000 1.095 338 L CA 0.866 55.674 54.840 -0.054 0.000 0.770 338 L CB -0.193 41.847 42.059 -0.032 0.000 0.914 338 L HN 0.089 nan 8.230 nan 0.000 0.439 339 D N 0.305 120.679 120.400 -0.042 0.000 2.312 339 D HA -0.096 4.550 4.640 0.009 0.000 0.211 339 D C 1.755 178.038 176.300 -0.030 0.000 0.964 339 D CA 0.682 54.682 54.000 -0.001 0.000 0.877 339 D CB 0.090 40.933 40.800 0.072 0.000 0.924 339 D HN 0.438 nan 8.370 nan 0.000 0.515 340 R N -0.192 120.266 120.500 -0.069 0.000 2.359 340 R HA 0.256 4.602 4.340 0.009 0.000 0.231 340 R C 0.398 176.659 176.300 -0.064 0.000 0.913 340 R CA -0.121 55.937 56.100 -0.071 0.000 1.075 340 R CB -0.030 30.210 30.300 -0.100 0.000 1.087 340 R HN 0.021 nan 8.270 nan 0.000 0.515 341 L N 0.841 122.032 121.223 -0.053 0.000 2.334 341 L HA 0.320 4.665 4.340 0.009 0.000 0.277 341 L C 1.423 178.271 176.870 -0.036 0.000 1.075 341 L CA 0.398 55.209 54.840 -0.049 0.000 0.804 341 L CB 1.147 43.178 42.059 -0.045 0.000 1.174 341 L HN 0.320 nan 8.230 nan 0.000 0.438 342 D N 1.644 122.021 120.400 -0.037 0.000 2.144 342 D HA -0.133 4.513 4.640 0.009 0.000 0.200 342 D C 0.931 177.217 176.300 -0.023 0.000 0.978 342 D CA 1.156 55.139 54.000 -0.028 0.000 0.833 342 D CB 0.087 40.870 40.800 -0.029 0.000 0.961 342 D HN 0.742 nan 8.370 nan 0.000 0.470 343 E N 0.661 120.844 120.200 -0.028 0.000 2.490 343 E HA 0.166 4.522 4.350 0.009 0.000 0.232 343 E C -2.374 174.210 176.600 -0.027 0.000 1.091 343 E CA -1.418 54.967 56.400 -0.026 0.000 1.050 343 E CB 1.345 31.028 29.700 -0.029 0.000 1.342 343 E HN 0.220 nan 8.360 nan 0.000 0.454 344 P HA -0.029 nan 4.420 nan 0.000 0.285 344 P C 0.255 177.541 177.300 -0.024 0.000 1.521 344 P CA 0.097 63.185 63.100 -0.020 0.000 0.792 344 P CB -0.283 31.412 31.700 -0.008 0.000 1.613 345 S N 0.736 116.417 115.700 -0.031 0.000 2.531 345 S HA 0.126 4.602 4.470 0.009 0.000 0.279 345 S C 1.536 176.112 174.600 -0.040 0.000 1.305 345 S CA -0.029 58.149 58.200 -0.037 0.000 1.058 345 S CB 0.427 63.602 63.200 -0.041 0.000 0.899 345 S HN 0.259 nan 8.310 nan 0.000 0.493 346 S N 3.884 119.558 115.700 -0.044 0.000 2.496 346 S HA -0.097 4.378 4.470 0.009 0.000 0.224 346 S C 1.641 176.214 174.600 -0.045 0.000 0.996 346 S CA 0.486 58.661 58.200 -0.041 0.000 0.927 346 S CB -0.557 62.619 63.200 -0.040 0.000 0.774 346 S HN 0.915 nan 8.310 nan 0.000 0.524 347 N N 1.922 120.590 118.700 -0.054 0.000 2.443 347 N HA -0.131 4.615 4.740 0.009 0.000 0.184 347 N C 1.280 176.762 175.510 -0.046 0.000 1.037 347 N CA 0.860 53.878 53.050 -0.053 0.000 0.896 347 N CB -0.291 38.158 38.487 -0.063 0.000 0.959 347 N HN 0.419 nan 8.380 nan 0.000 0.442 348 K N -0.068 120.306 120.400 -0.043 0.000 2.217 348 K HA 0.130 4.455 4.320 0.009 0.000 0.202 348 K C -0.079 176.500 176.600 -0.036 0.000 1.051 348 K CA 0.417 56.680 56.287 -0.040 0.000 0.952 348 K CB 0.440 32.916 32.500 -0.039 0.000 0.736 348 K HN 0.020 nan 8.250 nan 0.000 0.453 349 V N 1.680 121.571 119.914 -0.037 0.000 2.531 349 V HA 0.300 4.426 4.120 0.009 0.000 0.301 349 V C -1.302 174.770 176.094 -0.037 0.000 1.034 349 V CA -1.062 61.217 62.300 -0.036 0.000 0.865 349 V CB 1.731 33.529 31.823 -0.041 0.000 0.995 349 V HN -0.041 nan 8.190 nan 0.000 0.424 350 L N 8.414 129.613 121.223 -0.040 0.000 2.319 350 L HA 0.773 5.119 4.340 0.009 0.000 0.281 350 L C -2.615 174.226 176.870 -0.048 0.000 1.005 350 L CA -1.818 52.998 54.840 -0.040 0.000 0.828 350 L CB 1.989 44.023 42.059 -0.042 0.000 1.227 350 L HN 0.402 nan 8.230 nan 0.000 0.415 351 P HA 0.435 nan 4.420 nan 0.000 0.290 351 P C -1.076 176.188 177.300 -0.059 0.000 1.276 351 P CA -0.090 62.980 63.100 -0.050 0.000 0.808 351 P CB 1.185 32.864 31.700 -0.034 0.000 0.966 352 I N 2.386 122.909 120.570 -0.078 0.000 2.499 352 I HA 0.357 4.533 4.170 0.009 0.000 0.288 352 I C 0.104 176.144 176.117 -0.127 0.000 1.048 352 I CA -0.512 60.730 61.300 -0.096 0.000 1.062 352 I CB 2.424 40.365 38.000 -0.098 0.000 1.238 352 I HN 0.293 nan 8.210 nan 0.000 0.426 353 T N 4.250 118.705 114.554 -0.165 0.000 2.856 353 T HA 0.745 5.100 4.350 0.009 0.000 0.283 353 T C -0.577 173.858 174.700 -0.441 0.000 1.008 353 T CA -0.656 61.266 62.100 -0.296 0.000 0.997 353 T CB 1.852 70.550 68.868 -0.283 0.000 0.992 353 T HN 0.322 nan 8.240 nan 0.000 0.454 354 I N 3.626 123.909 120.570 -0.478 0.000 2.389 354 I HA 0.382 4.558 4.170 0.009 0.000 0.288 354 I C -0.115 175.756 176.117 -0.409 0.000 0.999 354 I CA -0.922 60.166 61.300 -0.354 0.000 1.129 354 I CB 1.137 39.023 38.000 -0.190 0.000 1.288 354 I HN 0.622 nan 8.210 nan 0.000 0.444 355 H N 3.934 122.988 119.070 -0.026 0.000 2.622 355 H HA 0.457 5.019 4.556 0.009 0.000 0.363 355 H C 0.100 175.423 175.328 -0.009 0.000 1.151 355 H CA -0.674 55.370 56.048 -0.006 0.000 1.184 355 H CB 2.228 32.007 29.762 0.028 0.000 1.643 355 H HN 0.713 nan 8.280 nan 0.000 0.531 356 G N 0.280 109.147 108.800 0.111 0.000 2.507 356 G HA2 0.022 3.987 3.960 0.009 0.000 0.271 356 G HA3 0.022 3.987 3.960 0.009 0.000 0.271 356 G C 0.812 175.763 174.900 0.085 0.000 1.189 356 G CA -0.423 44.715 45.100 0.063 0.000 0.859 356 G HN 0.728 nan 8.290 nan 0.000 0.542 357 D N 0.534 120.973 120.400 0.064 0.000 2.149 357 D HA -0.104 4.541 4.640 0.009 0.000 0.201 357 D C 2.328 178.654 176.300 0.043 0.000 0.972 357 D CA 1.040 55.075 54.000 0.057 0.000 0.835 357 D CB -0.526 40.306 40.800 0.053 0.000 0.966 357 D HN 0.365 nan 8.370 nan 0.000 0.476 358 A N 1.810 124.656 122.820 0.043 0.000 1.851 358 A HA -0.031 4.295 4.320 0.009 0.000 0.216 358 A C 2.576 180.184 177.584 0.040 0.000 1.195 358 A CA 2.935 54.995 52.037 0.039 0.000 0.622 358 A CB -1.168 nan 19.000 nan 0.000 0.831 358 A HN 0.382 nan 8.150 nan 0.000 0.444 359 A N -1.098 121.755 122.820 0.055 0.000 1.933 359 A HA -0.002 4.324 4.320 0.009 0.000 0.218 359 A C 2.302 179.914 177.584 0.047 0.000 1.175 359 A CA 1.730 53.804 52.037 0.062 0.000 0.628 359 A CB -1.031 18.022 19.000 0.088 0.000 0.814 359 A HN 0.728 nan 8.150 nan 0.000 0.444 360 V N 0.582 120.519 119.914 0.038 0.000 2.490 360 V HA -0.164 3.961 4.120 0.009 0.000 0.250 360 V C 2.453 178.535 176.094 -0.019 0.000 1.061 360 V CA 2.634 64.924 62.300 -0.017 0.000 1.064 360 V CB -0.556 31.250 31.823 -0.028 0.000 0.670 360 V HN 0.806 nan 8.190 nan 0.000 0.461 361 T N -3.539 111.013 114.554 -0.004 0.000 3.040 361 T HA 0.228 4.584 4.350 0.009 0.000 0.250 361 T C 1.527 176.226 174.700 -0.002 0.000 1.058 361 T CA 0.628 62.722 62.100 -0.011 0.000 0.988 361 T CB 0.530 69.389 68.868 -0.015 0.000 0.993 361 T HN 0.467 nan 8.240 nan 0.000 0.519 362 G N 0.496 109.303 108.800 0.010 0.000 3.020 362 G HA2 0.206 4.171 3.960 0.009 0.000 0.217 362 G HA3 0.206 4.171 3.960 0.009 0.000 0.217 362 G C 0.351 175.264 174.900 0.021 0.000 1.144 362 G CA -0.244 44.865 45.100 0.015 0.000 0.760 362 G HN 0.314 nan 8.290 nan 0.000 0.548 363 Q N 0.211 120.026 119.800 0.025 0.000 2.316 363 Q HA 0.424 4.770 4.340 0.009 0.000 0.264 363 Q C 0.987 177.002 176.000 0.024 0.000 0.987 363 Q CA -0.408 55.415 55.803 0.034 0.000 0.852 363 Q CB 1.775 30.545 28.738 0.053 0.000 1.287 363 Q HN 0.110 nan 8.270 nan 0.000 0.448 364 G N 1.114 109.929 108.800 0.025 0.000 2.448 364 G HA2 -0.127 3.839 3.960 0.009 0.000 0.218 364 G HA3 -0.127 3.839 3.960 0.009 0.000 0.218 364 G C 1.217 176.125 174.900 0.014 0.000 1.135 364 G CA 0.965 46.074 45.100 0.015 0.000 0.784 364 G HN 0.489 nan 8.290 nan 0.000 0.543 365 V N -0.290 119.638 119.914 0.024 0.000 2.546 365 V HA -0.207 3.918 4.120 0.009 0.000 0.254 365 V C 2.663 178.769 176.094 0.020 0.000 1.076 365 V CA 1.756 64.069 62.300 0.022 0.000 1.087 365 V CB -1.056 30.790 31.823 0.039 0.000 0.674 365 V HN 0.165 nan 8.190 nan 0.000 0.470 366 V N 0.346 120.270 119.914 0.016 0.000 2.255 366 V HA -0.363 3.762 4.120 0.009 0.000 0.247 366 V C 2.764 178.863 176.094 0.009 0.000 1.051 366 V CA 2.662 64.964 62.300 0.003 0.000 1.018 366 V CB -1.055 30.749 31.823 -0.031 0.000 0.641 366 V HN 0.668 nan 8.190 nan 0.000 0.445 367 Q N 0.044 119.846 119.800 0.002 0.000 2.062 367 Q HA -0.311 4.034 4.340 0.009 0.000 0.209 367 Q C 2.307 178.302 176.000 -0.008 0.000 0.996 367 Q CA 2.554 58.356 55.803 -0.002 0.000 0.859 367 Q CB -0.185 28.548 28.738 -0.008 0.000 0.920 367 Q HN 0.745 nan 8.270 nan 0.000 0.415 368 E N -0.804 119.388 120.200 -0.013 0.000 2.077 368 E HA -0.156 4.200 4.350 0.009 0.000 0.193 368 E C 2.055 178.630 176.600 -0.042 0.000 0.989 368 E CA 1.658 58.039 56.400 -0.032 0.000 0.800 368 E CB -0.015 29.667 29.700 -0.030 0.000 0.746 368 E HN 0.406 nan 8.360 nan 0.000 0.452 369 T N 1.554 116.100 114.554 -0.014 0.000 2.737 369 T HA -0.099 4.256 4.350 0.009 0.000 0.265 369 T C 1.959 176.661 174.700 0.003 0.000 1.038 369 T CA 0.670 62.771 62.100 0.001 0.000 1.144 369 T CB -0.183 68.708 68.868 0.038 0.000 0.866 369 T HN 0.084 nan 8.240 nan 0.000 0.434 370 L N 1.292 122.525 121.223 0.017 0.000 2.079 370 L HA -0.161 4.185 4.340 0.009 0.000 0.210 370 L C 2.545 179.419 176.870 0.006 0.000 1.081 370 L CA 1.414 56.273 54.840 0.033 0.000 0.752 370 L CB -0.488 41.605 42.059 0.057 0.000 0.896 370 L HN 0.314 nan 8.230 nan 0.000 0.433 371 N N 0.060 118.747 118.700 -0.021 0.000 2.354 371 N HA -0.194 4.552 4.740 0.009 0.000 0.179 371 N C 1.831 177.291 175.510 -0.083 0.000 1.021 371 N CA 0.840 53.866 53.050 -0.041 0.000 0.887 371 N CB -0.008 38.451 38.487 -0.046 0.000 0.974 371 N HN 0.284 nan 8.380 nan 0.000 0.437 372 M N -0.439 119.089 119.600 -0.121 0.000 2.388 372 M HA 0.027 4.513 4.480 0.009 0.000 0.265 372 M C 1.527 177.732 176.300 -0.158 0.000 1.088 372 M CA 1.159 56.319 55.300 -0.233 0.000 1.134 372 M CB -0.139 32.254 32.600 -0.346 0.000 1.384 372 M HN 0.232 nan 8.290 nan 0.000 0.447 373 S N 0.490 116.153 115.700 -0.060 0.000 2.603 373 S HA 0.017 4.493 4.470 0.009 0.000 0.229 373 S C 1.856 176.453 174.600 -0.005 0.000 0.972 373 S CA 1.166 59.364 58.200 -0.003 0.000 0.935 373 S CB -0.557 62.663 63.200 0.032 0.000 0.769 373 S HN 0.643 nan 8.310 nan 0.000 0.536 374 K N 0.684 121.070 120.400 -0.023 0.000 2.314 374 K HA 0.658 4.984 4.320 0.009 0.000 0.198 374 K C 0.991 177.579 176.600 -0.019 0.000 1.045 374 K CA 0.704 56.984 56.287 -0.012 0.000 0.988 374 K CB -0.895 31.599 32.500 -0.009 0.000 0.783 374 K HN 0.798 nan 8.250 nan 0.000 0.484 375 A N 0.843 123.642 122.820 -0.035 0.000 2.340 375 A HA 0.606 4.932 4.320 0.009 0.000 0.268 375 A C 0.872 178.433 177.584 -0.039 0.000 1.100 375 A CA 0.059 52.089 52.037 -0.012 0.000 0.803 375 A CB -0.038 18.955 19.000 -0.012 0.000 1.043 375 A HN 0.871 nan 8.150 nan 0.000 0.488 376 R N 1.053 121.521 120.500 -0.053 0.000 2.694 376 R HA 0.454 4.799 4.340 0.009 0.000 0.268 376 R C 0.845 176.775 176.300 -0.617 0.000 1.061 376 R CA 0.113 56.076 56.100 -0.228 0.000 1.133 376 R CB -0.491 29.822 30.300 0.021 0.000 1.020 376 R HN 1.915 nan 8.270 nan 0.000 0.475 377 G N 0.803 108.473 108.800 -1.884 0.000 2.716 377 G HA2 0.375 4.341 3.960 0.009 0.000 0.296 377 G HA3 0.375 4.341 3.960 0.009 0.000 0.296 377 G C -0.050 174.087 174.900 -1.271 0.000 0.811 377 G CA 0.002 44.260 45.100 -1.404 0.000 1.758 377 G HN 0.758 nan 8.290 nan 0.000 0.512 378 Y N 0.310 120.208 120.300 -0.668 0.000 2.462 378 Y HA 0.136 4.692 4.550 0.009 0.000 0.253 378 Y C 1.655 177.447 175.900 -0.179 0.000 1.095 378 Y CA -0.590 57.139 58.100 -0.619 0.000 1.283 378 Y CB 0.208 38.099 38.460 -0.949 0.000 1.138 378 Y HN 0.554 nan 8.280 nan 0.000 0.522 379 E N 2.147 122.321 120.200 -0.044 0.000 2.415 379 E HA 0.135 4.491 4.350 0.009 0.000 0.262 379 E C 0.271 176.887 176.600 0.026 0.000 1.038 379 E CA 0.669 57.071 56.400 0.002 0.000 0.921 379 E CB 1.543 31.222 29.700 -0.034 0.000 0.950 379 E HN 0.156 nan 8.360 nan 0.000 0.438 380 V N -0.663 119.277 119.914 0.043 0.000 3.157 380 V HA 0.405 4.531 4.120 0.009 0.000 0.361 380 V C 0.684 176.785 176.094 0.011 0.000 1.421 380 V CA 0.076 62.396 62.300 0.034 0.000 1.213 380 V CB -0.161 31.698 31.823 0.060 0.000 1.164 380 V HN 0.978 nan 8.190 nan 0.000 0.559 381 G N -0.369 108.433 108.800 0.003 0.000 2.160 381 G HA2 0.263 4.228 3.960 0.009 0.000 0.251 381 G HA3 0.263 4.228 3.960 0.009 0.000 0.251 381 G C 1.211 176.114 174.900 0.005 0.000 1.008 381 G CA 0.368 45.462 45.100 -0.008 0.000 0.724 381 G HN 2.738 nan 8.290 nan 0.000 0.514 382 G N -1.980 106.833 108.800 0.023 0.000 2.879 382 G HA2 0.467 4.433 3.960 0.009 0.000 0.686 382 G HA3 0.467 4.433 3.960 0.009 0.000 0.686 382 G C -0.004 174.909 174.900 0.023 0.000 1.115 382 G CA 0.609 45.732 45.100 0.039 0.000 0.770 382 G HN 2.462 nan 8.290 nan 0.000 0.601 383 T N -0.954 113.605 114.554 0.009 0.000 2.918 383 T HA 0.846 5.202 4.350 0.009 0.000 0.286 383 T C 0.498 175.166 174.700 -0.053 0.000 1.026 383 T CA 0.153 62.241 62.100 -0.020 0.000 1.031 383 T CB 1.693 70.545 68.868 -0.026 0.000 1.046 383 T HN 2.158 nan 8.240 nan 0.000 0.479 384 V N 2.457 122.335 119.914 -0.059 0.000 2.439 384 V HA 0.727 4.852 4.120 0.009 0.000 0.282 384 V C -0.436 175.579 176.094 -0.133 0.000 1.039 384 V CA -0.947 61.306 62.300 -0.079 0.000 0.913 384 V CB 0.708 32.513 31.823 -0.030 0.000 0.983 384 V HN 0.975 nan 8.190 nan 0.000 0.460 385 R N 5.500 125.865 120.500 -0.225 0.000 2.393 385 R HA 0.647 4.993 4.340 0.009 0.000 0.315 385 R C -1.062 175.191 176.300 -0.079 0.000 0.952 385 R CA -0.638 55.340 56.100 -0.204 0.000 0.842 385 R CB 2.153 32.161 30.300 -0.486 0.000 1.163 385 R HN 0.761 nan 8.270 nan 0.000 0.450 386 I N 3.333 123.888 120.570 -0.024 0.000 2.315 386 I HA 0.203 4.379 4.170 0.009 0.000 0.291 386 I C -0.132 176.037 176.117 0.087 0.000 1.006 386 I CA -0.920 60.390 61.300 0.016 0.000 1.265 386 I CB 1.745 39.724 38.000 -0.034 0.000 1.387 386 I HN 0.222 nan 8.210 nan 0.000 0.475 387 V N 7.752 127.746 119.914 0.133 0.000 2.364 387 V HA 0.294 4.420 4.120 0.009 0.000 0.272 387 V C 0.428 176.572 176.094 0.083 0.000 1.036 387 V CA -0.450 61.939 62.300 0.148 0.000 0.880 387 V CB 1.391 33.322 31.823 0.180 0.000 0.991 387 V HN 0.513 nan 8.190 nan 0.000 0.460 388 I N 5.118 125.721 120.570 0.054 0.000 2.260 388 I HA 0.157 4.333 4.170 0.009 0.000 0.297 388 I C 0.380 176.518 176.117 0.035 0.000 1.143 388 I CA 0.058 61.371 61.300 0.022 0.000 1.271 388 I CB 0.154 38.145 38.000 -0.016 0.000 1.461 388 I HN 0.599 nan 8.210 nan 0.000 0.530 389 N N 5.506 124.236 118.700 0.050 0.000 2.426 389 N HA 0.168 4.914 4.740 0.009 0.000 0.257 389 N C 0.223 175.766 175.510 0.054 0.000 1.002 389 N CA -0.160 52.927 53.050 0.061 0.000 0.942 389 N CB 0.724 39.263 38.487 0.087 0.000 1.112 389 N HN 0.315 nan 8.380 nan 0.000 0.499 390 N N 2.431 121.160 118.700 0.050 0.000 2.294 390 N HA 0.080 4.825 4.740 0.009 0.000 0.186 390 N C -0.428 175.116 175.510 0.056 0.000 1.107 390 N CA 0.109 53.193 53.050 0.056 0.000 0.884 390 N CB 0.099 38.617 38.487 0.052 0.000 1.030 390 N HN 0.636 nan 8.380 nan 0.000 0.482 408 C N 0.493 119.792 119.300 -0.001 0.000 2.460 408 C HA 0.271 4.736 4.460 0.009 0.000 0.291 408 C C 1.757 176.718 174.990 -0.049 0.000 1.493 408 C CA 1.625 60.636 59.018 -0.012 0.000 1.748 408 C CB -1.771 25.980 27.740 0.019 0.000 1.656 408 C HN 0.717 nan 8.230 nan 0.000 0.576 409 T N -0.285 114.220 114.554 -0.082 0.000 3.044 409 T HA 0.095 4.451 4.350 0.009 0.000 0.260 409 T C 0.939 175.430 174.700 -0.348 0.000 1.019 409 T CA 0.288 62.262 62.100 -0.211 0.000 0.921 409 T CB -0.437 68.349 68.868 -0.137 0.000 1.053 409 T HN 0.434 nan 8.240 nan 0.000 0.533 410 D N 1.190 121.457 120.400 -0.221 0.000 2.312 410 D HA 0.069 4.715 4.640 0.009 0.000 0.211 410 D C 1.770 177.923 176.300 -0.244 0.000 0.964 410 D CA 0.291 54.155 54.000 -0.226 0.000 0.877 410 D CB -0.076 40.637 40.800 -0.145 0.000 0.924 410 D HN 0.429 nan 8.370 nan 0.000 0.515 411 I N 0.370 120.799 120.570 -0.235 0.000 2.700 411 I HA -0.148 4.028 4.170 0.009 0.000 0.261 411 I C 1.774 177.754 176.117 -0.228 0.000 1.219 411 I CA 0.887 62.077 61.300 -0.183 0.000 1.463 411 I CB 0.115 38.046 38.000 -0.115 0.000 1.092 411 I HN -0.042 nan 8.210 nan 0.000 0.452 412 G N 0.232 108.746 108.800 -0.477 0.000 2.920 412 G HA2 -0.095 3.870 3.960 0.009 0.000 0.208 412 G HA3 -0.095 3.870 3.960 0.009 0.000 0.208 412 G C 1.481 176.257 174.900 -0.207 0.000 1.159 412 G CA -0.054 44.755 45.100 -0.485 0.000 0.784 412 G HN 0.316 nan 8.290 nan 0.000 0.535 413 K N -0.063 120.212 120.400 -0.208 0.000 2.361 413 K HA 0.201 4.527 4.320 0.009 0.000 0.196 413 K C 2.091 178.658 176.600 -0.055 0.000 1.039 413 K CA -0.239 55.974 56.287 -0.124 0.000 1.001 413 K CB -0.141 32.222 32.500 -0.229 0.000 0.795 413 K HN 0.290 nan 8.250 nan 0.000 0.495 414 M N 0.804 120.366 119.600 -0.062 0.000 2.192 414 M HA -0.169 4.317 4.480 0.009 0.000 0.259 414 M C 1.380 177.684 176.300 0.006 0.000 1.071 414 M CA 1.560 56.845 55.300 -0.026 0.000 1.082 414 M CB 0.186 32.770 32.600 -0.026 0.000 1.373 414 M HN -0.063 nan 8.290 nan 0.000 0.408 415 V N -0.950 118.979 119.914 0.025 0.000 3.398 415 V HA 0.103 4.228 4.120 0.009 0.000 0.298 415 V C 0.344 176.487 176.094 0.081 0.000 1.496 415 V CA 0.263 62.598 62.300 0.059 0.000 1.044 415 V CB 0.419 32.295 31.823 0.089 0.000 0.880 415 V HN 0.672 nan 8.190 nan 0.000 0.443 416 Q N 0.300 120.149 119.800 0.081 0.000 2.451 416 Q HA -0.158 4.188 4.340 0.009 0.000 0.284 416 Q C -0.223 175.843 176.000 0.109 0.000 1.326 416 Q CA 0.495 56.372 55.803 0.124 0.000 0.762 416 Q CB -1.157 27.632 28.738 0.084 0.000 1.160 416 Q HN 0.709 nan 8.270 nan 0.000 0.419 417 A N 2.104 125.000 122.820 0.128 0.000 2.301 417 A HA 0.764 5.090 4.320 0.009 0.000 0.312 417 A C -2.217 175.375 177.584 0.014 0.000 1.182 417 A CA -1.169 50.943 52.037 0.124 0.000 0.826 417 A CB 0.711 19.900 19.000 0.316 0.000 1.134 417 A HN 0.289 nan 8.150 nan 0.000 0.501 418 P HA 0.257 nan 4.420 nan 0.000 0.269 418 P C -0.837 176.202 177.300 -0.436 0.000 1.209 418 P CA 0.470 63.306 63.100 -0.440 0.000 0.776 418 P CB 0.600 31.824 31.700 -0.792 0.000 0.876 419 I N 2.590 122.814 120.570 -0.576 0.000 2.478 419 I HA 0.317 4.493 4.170 0.009 0.000 0.287 419 I C -0.505 175.198 176.117 -0.690 0.000 1.042 419 I CA -0.703 60.298 61.300 -0.498 0.000 1.067 419 I CB 1.295 39.052 38.000 -0.405 0.000 1.233 419 I HN 0.118 nan 8.210 nan 0.000 0.431 420 F N 4.370 124.215 119.950 -0.174 0.000 2.375 420 F HA 0.422 4.954 4.527 0.009 0.000 0.361 420 F C 0.619 176.338 175.800 -0.136 0.000 1.117 420 F CA -0.582 57.365 58.000 -0.089 0.000 1.037 420 F CB 0.633 39.626 39.000 -0.013 0.000 1.192 420 F HN 0.367 nan 8.300 nan 0.000 0.452 421 H N 2.106 121.295 119.070 0.198 0.000 2.481 421 H HA 0.693 5.254 4.556 0.009 0.000 0.339 421 H C -0.619 174.809 175.328 0.167 0.000 1.131 421 H CA -0.731 55.408 56.048 0.152 0.000 1.301 421 H CB 2.690 32.519 29.762 0.111 0.000 1.476 421 H HN 0.478 nan 8.280 nan 0.000 0.529 422 V N 2.594 122.652 119.914 0.240 0.000 3.000 422 V HA 0.084 4.210 4.120 0.009 0.000 0.300 422 V C -0.804 175.363 176.094 0.121 0.000 1.251 422 V CA -0.941 61.459 62.300 0.166 0.000 0.972 422 V CB 2.384 34.281 31.823 0.124 0.000 1.065 422 V HN 0.815 nan 8.190 nan 0.000 0.431 423 N N 4.480 123.240 118.700 0.101 0.000 2.405 423 N HA 0.261 5.007 4.740 0.009 0.000 0.260 423 N C 0.947 176.491 175.510 0.057 0.000 1.152 423 N CA 0.591 53.693 53.050 0.086 0.000 0.948 423 N CB 1.892 40.431 38.487 0.087 0.000 1.111 423 N HN 0.918 nan 8.380 nan 0.000 0.485 424 A N 3.409 126.263 122.820 0.056 0.000 2.178 424 A HA -0.113 4.213 4.320 0.009 0.000 0.218 424 A C 1.227 178.822 177.584 0.018 0.000 1.157 424 A CA 0.958 53.004 52.037 0.015 0.000 0.689 424 A CB 0.024 19.026 19.000 0.003 0.000 0.787 424 A HN 0.645 nan 8.150 nan 0.000 0.465 425 D N -0.243 120.204 120.400 0.078 0.000 2.349 425 D HA 0.032 4.677 4.640 0.009 0.000 0.224 425 D C -0.248 176.075 176.300 0.038 0.000 1.029 425 D CA 0.476 54.535 54.000 0.098 0.000 0.879 425 D CB 0.160 41.073 40.800 0.188 0.000 0.906 425 D HN 0.392 nan 8.370 nan 0.000 0.528 426 D N 0.053 120.449 120.400 -0.007 0.000 2.464 426 D HA 0.120 4.766 4.640 0.009 0.000 0.243 426 D C -1.879 174.311 176.300 -0.183 0.000 1.104 426 D CA -2.126 51.848 54.000 -0.044 0.000 0.883 426 D CB 1.837 42.650 40.800 0.022 0.000 1.050 426 D HN -0.095 nan 8.370 nan 0.000 0.524 427 P HA -0.062 nan 4.420 nan 0.000 0.223 427 P C 0.707 177.550 177.300 -0.762 0.000 1.151 427 P CA 0.788 63.500 63.100 -0.646 0.000 0.787 427 P CB 0.675 31.803 31.700 -0.952 0.000 0.788 428 E N 0.239 120.164 120.200 -0.458 0.000 2.086 428 E HA -0.011 4.345 4.350 0.009 0.000 0.190 428 E C 2.267 178.886 176.600 0.032 0.000 0.975 428 E CA 0.772 57.015 56.400 -0.262 0.000 0.813 428 E CB -0.529 29.279 29.700 0.179 0.000 0.768 428 E HN 0.119 nan 8.360 nan 0.000 0.457 429 A N 1.534 124.367 122.820 0.022 0.000 1.884 429 A HA -0.210 4.116 4.320 0.009 0.000 0.219 429 A C 2.562 180.176 177.584 0.049 0.000 1.197 429 A CA 1.664 53.741 52.037 0.067 0.000 0.637 429 A CB -1.001 18.024 19.000 0.041 0.000 0.827 429 A HN 0.128 nan 8.150 nan 0.000 0.450 430 V N -0.372 119.488 119.914 -0.090 0.000 2.392 430 V HA -0.253 3.873 4.120 0.009 0.000 0.249 430 V C 2.998 179.009 176.094 -0.138 0.000 1.059 430 V CA 2.047 64.275 62.300 -0.120 0.000 1.051 430 V CB -1.185 30.518 31.823 -0.200 0.000 0.658 430 V HN 0.658 nan 8.190 nan 0.000 0.455 431 A N -0.755 121.927 122.820 -0.230 0.000 1.929 431 A HA -0.162 4.164 4.320 0.009 0.000 0.216 431 A C 2.082 179.704 177.584 0.064 0.000 1.176 431 A CA 1.602 53.531 52.037 -0.179 0.000 0.628 431 A CB -0.611 18.135 19.000 -0.424 0.000 0.816 431 A HN 0.535 nan 8.150 nan 0.000 0.444 432 F N 0.520 120.521 119.950 0.085 0.000 2.146 432 F HA -0.114 4.418 4.527 0.008 0.000 0.298 432 F C 2.087 177.832 175.800 -0.091 0.000 1.096 432 F CA 1.822 59.873 58.000 0.086 0.000 1.275 432 F CB -0.108 38.949 39.000 0.095 0.000 1.008 432 F HN 0.018 nan 8.300 nan 0.000 0.480 433 V N -0.205 119.691 119.914 -0.031 0.000 2.453 433 V HA -0.252 3.874 4.120 0.009 0.000 0.247 433 V C 2.297 178.208 176.094 -0.304 0.000 1.048 433 V CA 2.218 64.384 62.300 -0.223 0.000 1.049 433 V CB -0.911 30.885 31.823 -0.045 0.000 0.672 433 V HN 0.418 nan 8.190 nan 0.000 0.457 434 T N 0.013 114.451 114.554 -0.193 0.000 2.622 434 T HA -0.239 4.117 4.350 0.009 0.000 0.266 434 T C 2.058 176.621 174.700 -0.229 0.000 1.047 434 T CA 1.879 63.878 62.100 -0.168 0.000 1.159 434 T CB -0.245 68.549 68.868 -0.124 0.000 0.863 434 T HN 0.434 nan 8.240 nan 0.000 0.422 435 R N 0.340 120.630 120.500 -0.350 0.000 2.094 435 R HA -0.086 4.260 4.340 0.009 0.000 0.239 435 R C 2.431 178.513 176.300 -0.364 0.000 1.137 435 R CA 1.346 57.103 56.100 -0.572 0.000 0.943 435 R CB -0.825 29.032 30.300 -0.738 0.000 0.850 435 R HN 0.214 nan 8.270 nan 0.000 0.433 436 L N 0.945 121.869 121.223 -0.498 0.000 1.990 436 L HA -0.218 4.127 4.340 0.009 0.000 0.213 436 L C 2.327 179.112 176.870 -0.142 0.000 1.072 436 L CA 2.210 56.807 54.840 -0.405 0.000 0.755 436 L CB -0.818 40.777 42.059 -0.773 0.000 0.889 436 L HN 0.218 nan 8.230 nan 0.000 0.432 437 A N -0.706 121.962 122.820 -0.254 0.000 1.865 437 A HA -0.240 4.086 4.320 0.009 0.000 0.217 437 A C 2.365 180.023 177.584 0.124 0.000 1.191 437 A CA 2.219 54.240 52.037 -0.027 0.000 0.623 437 A CB -1.080 17.898 19.000 -0.037 0.000 0.826 437 A HN 0.511 nan 8.150 nan 0.000 0.444 438 L N -0.583 120.685 121.223 0.076 0.000 2.012 438 L HA -0.237 4.108 4.340 0.009 0.000 0.210 438 L C 2.139 179.113 176.870 0.173 0.000 1.073 438 L CA 1.834 56.753 54.840 0.132 0.000 0.748 438 L CB -0.507 41.666 42.059 0.190 0.000 0.891 438 L HN 0.356 nan 8.230 nan 0.000 0.431 439 D N -0.889 119.653 120.400 0.236 0.000 2.178 439 D HA -0.231 4.415 4.640 0.009 0.000 0.201 439 D C 1.810 178.194 176.300 0.140 0.000 0.980 439 D CA 1.143 55.312 54.000 0.282 0.000 0.842 439 D CB -0.134 40.949 40.800 0.472 0.000 0.948 439 D HN 0.291 nan 8.370 nan 0.000 0.472 440 F N 1.133 121.094 119.950 0.019 0.000 2.206 440 F HA -0.031 4.502 4.527 0.011 0.000 0.298 440 F C 2.161 177.925 175.800 -0.061 0.000 1.090 440 F CA 0.864 58.756 58.000 -0.180 0.000 1.323 440 F CB 0.114 39.145 39.000 0.051 0.000 1.028 440 F HN -0.230 nan 8.300 nan 0.000 0.492 441 R N 0.918 121.553 120.500 0.225 0.000 2.062 441 R HA -0.113 4.233 4.340 0.009 0.000 0.226 441 R C 1.787 178.057 176.300 -0.051 0.000 1.125 441 R CA 1.479 57.654 56.100 0.125 0.000 0.966 441 R CB -1.007 29.386 30.300 0.155 0.000 0.861 441 R HN 0.256 nan 8.270 nan 0.000 0.433 442 N N 0.296 118.966 118.700 -0.050 0.000 2.132 442 N HA -0.145 4.600 4.740 0.009 0.000 0.191 442 N C 1.573 176.939 175.510 -0.241 0.000 1.015 442 N CA 2.230 55.214 53.050 -0.110 0.000 0.864 442 N CB -0.528 37.921 38.487 -0.063 0.000 1.006 442 N HN 0.296 nan 8.380 nan 0.000 0.430 443 T N -0.748 113.560 114.554 -0.411 0.000 2.894 443 T HA 0.109 4.465 4.350 0.009 0.000 0.258 443 T C 0.962 175.080 174.700 -0.970 0.000 1.043 443 T CA 0.678 62.317 62.100 -0.768 0.000 1.141 443 T CB -0.018 68.146 68.868 -1.173 0.000 0.873 443 T HN 0.151 nan 8.240 nan 0.000 0.449 444 F N 0.377 119.947 119.950 -0.633 0.000 2.706 444 F HA 0.445 4.977 4.527 0.009 0.000 0.313 444 F C 0.559 176.138 175.800 -0.369 0.000 1.096 444 F CA -0.661 56.980 58.000 -0.597 0.000 1.219 444 F CB 0.200 38.599 39.000 -1.001 0.000 1.051 444 F HN -0.172 nan 8.300 nan 0.000 0.568 445 K N 0.915 121.222 120.400 -0.154 0.000 3.071 445 K HA -0.210 4.116 4.320 0.009 0.000 0.265 445 K C -0.349 176.252 176.600 0.001 0.000 1.060 445 K CA 0.468 56.715 56.287 -0.067 0.000 0.767 445 K CB -1.010 31.450 32.500 -0.068 0.000 1.241 445 K HN 0.288 nan 8.250 nan 0.000 0.486 446 R N -0.009 120.523 120.500 0.054 0.000 2.837 446 R HA 0.273 4.618 4.340 0.009 0.000 0.271 446 R C -0.725 175.696 176.300 0.202 0.000 0.993 446 R CA -1.261 54.923 56.100 0.139 0.000 0.931 446 R CB 1.285 31.702 30.300 0.194 0.000 1.206 446 R HN -0.004 nan 8.270 nan 0.000 0.474 447 D N 0.813 121.305 120.400 0.153 0.000 2.478 447 D HA 0.130 4.776 4.640 0.009 0.000 0.234 447 D C -0.648 175.750 176.300 0.163 0.000 1.154 447 D CA 0.509 54.571 54.000 0.105 0.000 0.874 447 D CB 0.899 41.738 40.800 0.064 0.000 1.198 447 D HN 0.093 nan 8.370 nan 0.000 0.455 448 V N 2.293 122.242 119.914 0.058 0.000 2.888 448 V HA 0.528 4.653 4.120 0.009 0.000 0.309 448 V C -1.620 174.459 176.094 -0.025 0.000 1.114 448 V CA -0.760 61.590 62.300 0.085 0.000 0.940 448 V CB 1.375 33.266 31.823 0.113 0.000 1.021 448 V HN 0.342 nan 8.190 nan 0.000 0.426 449 F N 6.048 125.990 119.950 -0.013 0.000 2.420 449 F HA 0.644 5.176 4.527 0.009 0.000 0.342 449 F C 0.377 176.191 175.800 0.022 0.000 1.113 449 F CA -0.672 57.320 58.000 -0.013 0.000 1.059 449 F CB 1.565 40.517 39.000 -0.081 0.000 1.128 449 F HN 0.294 nan 8.300 nan 0.000 0.475 450 I N 2.642 123.313 120.570 0.168 0.000 2.339 450 I HA 0.208 4.383 4.170 0.009 0.000 0.290 450 I C -0.709 175.470 176.117 0.103 0.000 0.994 450 I CA -0.680 60.703 61.300 0.138 0.000 1.191 450 I CB 1.400 39.451 38.000 0.085 0.000 1.343 450 I HN 0.411 nan 8.210 nan 0.000 0.458 451 D N 6.940 127.370 120.400 0.051 0.000 2.396 451 D HA 0.232 4.878 4.640 0.009 0.000 0.225 451 D C -0.860 175.508 176.300 0.113 0.000 1.121 451 D CA -0.437 53.610 54.000 0.078 0.000 0.853 451 D CB 1.077 41.908 40.800 0.052 0.000 1.043 451 D HN 0.231 nan 8.370 nan 0.000 0.500 452 L N 5.928 127.203 121.223 0.087 0.000 2.312 452 L HA 0.288 4.633 4.340 0.009 0.000 0.287 452 L C -0.932 175.981 176.870 0.072 0.000 1.091 452 L CA -0.501 54.378 54.840 0.064 0.000 0.846 452 L CB 0.806 42.878 42.059 0.022 0.000 1.219 452 L HN 0.174 nan 8.230 nan 0.000 0.439 453 V N 5.642 125.613 119.914 0.094 0.000 2.427 453 V HA 0.387 4.512 4.120 0.009 0.000 0.268 453 V C 0.596 176.740 176.094 0.084 0.000 1.046 453 V CA -0.044 62.313 62.300 0.095 0.000 0.970 453 V CB -0.107 31.781 31.823 0.109 0.000 1.001 453 V HN 1.042 nan 8.190 nan 0.000 0.476 454 C N 4.234 123.582 119.300 0.081 0.000 3.213 454 C HA 0.930 5.396 4.460 0.009 0.000 0.378 454 C C -1.004 174.067 174.990 0.134 0.000 2.095 454 C CA -0.985 58.082 59.018 0.082 0.000 1.161 454 C CB 1.543 29.249 27.740 -0.057 0.000 2.466 454 C HN 0.905 nan 8.230 nan 0.000 0.426 455 Y N -1.605 118.687 120.300 -0.013 0.000 2.625 455 Y HA 0.796 5.351 4.550 0.009 0.000 0.338 455 Y C -0.643 175.253 175.900 -0.007 0.000 1.123 455 Y CA -1.206 56.881 58.100 -0.022 0.000 1.046 455 Y CB 0.913 39.337 38.460 -0.060 0.000 1.299 455 Y HN 0.804 nan 8.280 nan 0.000 0.464 456 R N 1.917 122.484 120.500 0.112 0.000 2.215 456 R HA 0.245 4.591 4.340 0.009 0.000 0.336 456 R C 0.785 177.153 176.300 0.113 0.000 0.996 456 R CA -0.671 55.457 56.100 0.047 0.000 0.847 456 R CB 1.241 31.590 30.300 0.081 0.000 1.127 456 R HN 0.952 nan 8.270 nan 0.000 0.465 457 R N 2.202 122.704 120.500 0.003 0.000 2.115 457 R HA -0.050 4.296 4.340 0.009 0.000 0.230 457 R C 0.282 176.419 176.300 -0.271 0.000 1.111 457 R CA 1.566 57.638 56.100 -0.046 0.000 0.976 457 R CB 0.117 30.323 30.300 -0.158 0.000 0.870 457 R HN 0.560 nan 8.270 nan 0.000 0.445 475 Q N 1.170 120.965 119.800 -0.009 0.000 2.016 475 Q HA -0.030 4.316 4.340 0.009 0.000 0.200 475 Q C 2.330 178.320 176.000 -0.017 0.000 0.978 475 Q CA 3.726 59.525 55.803 -0.008 0.000 0.833 475 Q CB -1.333 27.401 28.738 -0.006 0.000 0.895 475 Q HN 1.558 nan 8.270 nan 0.000 0.427 476 K N 0.501 120.881 120.400 -0.033 0.000 2.147 476 K HA 0.104 4.430 4.320 0.009 0.000 0.205 476 K C 2.105 178.658 176.600 -0.078 0.000 1.049 476 K CA 1.376 57.633 56.287 -0.051 0.000 0.936 476 K CB -0.685 31.771 32.500 -0.073 0.000 0.722 476 K HN 0.666 nan 8.250 nan 0.000 0.446 477 I N 0.511 121.022 120.570 -0.098 0.000 2.353 477 I HA -0.243 3.933 4.170 0.009 0.000 0.248 477 I C 2.572 178.671 176.117 -0.029 0.000 1.119 477 I CA 1.155 62.374 61.300 -0.136 0.000 1.417 477 I CB 0.101 38.045 38.000 -0.093 0.000 1.078 477 I HN 0.213 nan 8.210 nan 0.000 0.421 478 K N 0.964 121.362 120.400 -0.004 0.000 2.155 478 K HA -0.073 4.252 4.320 0.009 0.000 0.203 478 K C 1.591 178.205 176.600 0.024 0.000 1.052 478 K CA 1.067 57.364 56.287 0.017 0.000 0.948 478 K CB -0.376 32.134 32.500 0.016 0.000 0.728 478 K HN 0.558 nan 8.250 nan 0.000 0.448 479 K N -0.169 120.244 120.400 0.022 0.000 2.410 479 K HA 0.145 4.470 4.320 0.009 0.000 0.200 479 K C 0.272 176.890 176.600 0.030 0.000 1.023 479 K CA -0.162 56.137 56.287 0.019 0.000 1.149 479 K CB -0.064 32.443 32.500 0.011 0.000 0.859 479 K HN 0.244 nan 8.250 nan 0.000 0.514 480 H N 3.207 122.237 119.070 -0.068 0.000 2.767 480 H HA 0.167 4.728 4.556 0.009 0.000 0.316 480 H C -2.237 173.073 175.328 -0.031 0.000 1.059 480 H CA -1.824 54.173 56.048 -0.085 0.000 1.461 480 H CB 0.757 30.395 29.762 -0.207 0.000 1.475 480 H HN 0.038 nan 8.280 nan 0.000 0.531 481 P HA 0.069 nan 4.420 nan 0.000 0.275 481 P C -0.249 176.963 177.300 -0.147 0.000 1.228 481 P CA -0.533 62.435 63.100 -0.220 0.000 0.786 481 P CB 0.689 32.269 31.700 -0.200 0.000 0.927 482 T N 0.020 114.582 114.554 0.014 0.000 2.795 482 T HA 0.094 4.450 4.350 0.009 0.000 0.314 482 T C -1.721 173.026 174.700 0.078 0.000 1.069 482 T CA -0.896 61.264 62.100 0.100 0.000 1.071 482 T CB -0.498 68.415 68.868 0.076 0.000 0.988 482 T HN 0.207 nan 8.240 nan 0.000 0.543 483 P HA 0.012 nan 4.420 nan 0.000 0.219 483 P C 1.782 179.131 177.300 0.082 0.000 1.150 483 P CA 0.580 63.734 63.100 0.090 0.000 0.814 483 P CB 0.009 31.742 31.700 0.055 0.000 0.787 484 R N 0.307 120.846 120.500 0.065 0.000 2.082 484 R HA -0.190 4.156 4.340 0.009 0.000 0.234 484 R C 2.158 178.510 176.300 0.088 0.000 1.136 484 R CA 1.649 57.797 56.100 0.079 0.000 0.935 484 R CB -0.560 29.767 30.300 0.046 0.000 0.842 484 R HN -0.084 nan 8.270 nan 0.000 0.430 485 K N 1.102 121.534 120.400 0.053 0.000 2.020 485 K HA -0.138 4.188 4.320 0.009 0.000 0.212 485 K C 2.051 178.673 176.600 0.036 0.000 1.050 485 K CA 1.616 57.921 56.287 0.030 0.000 0.929 485 K CB -0.669 31.832 32.500 0.003 0.000 0.714 485 K HN 0.290 nan 8.250 nan 0.000 0.443 486 I N -0.751 119.845 120.570 0.042 0.000 2.264 486 I HA -0.308 3.868 4.170 0.009 0.000 0.248 486 I C 2.275 178.461 176.117 0.115 0.000 1.111 486 I CA 1.432 62.763 61.300 0.051 0.000 1.382 486 I CB -0.287 37.745 38.000 0.054 0.000 1.060 486 I HN 0.172 nan 8.210 nan 0.000 0.418 487 Y N 0.954 121.261 120.300 0.011 0.000 2.397 487 Y HA 0.004 4.560 4.550 0.009 0.000 0.292 487 Y C 2.524 178.440 175.900 0.026 0.000 1.115 487 Y CA 0.866 58.980 58.100 0.024 0.000 1.208 487 Y CB 0.074 38.552 38.460 0.030 0.000 1.046 487 Y HN 0.073 nan 8.280 nan 0.000 0.552 488 A N 0.494 123.331 122.820 0.030 0.000 1.845 488 A HA -0.217 4.109 4.320 0.009 0.000 0.215 488 A C 1.807 179.348 177.584 -0.072 0.000 1.195 488 A CA 2.038 54.050 52.037 -0.042 0.000 0.616 488 A CB -0.980 18.026 19.000 0.010 0.000 0.832 488 A HN 0.486 nan 8.150 nan 0.000 0.443 489 D N -0.400 119.979 120.400 -0.035 0.000 2.204 489 D HA -0.259 4.386 4.640 0.009 0.000 0.189 489 D C 1.833 178.094 176.300 -0.064 0.000 1.006 489 D CA 2.148 56.126 54.000 -0.037 0.000 0.855 489 D CB -0.317 40.473 40.800 -0.017 0.000 0.946 489 D HN 0.695 nan 8.370 nan 0.000 0.448 490 K N 0.168 120.515 120.400 -0.088 0.000 2.288 490 K HA -0.018 4.308 4.320 0.009 0.000 0.201 490 K C 1.977 178.482 176.600 -0.158 0.000 1.048 490 K CA 0.593 56.822 56.287 -0.096 0.000 0.956 490 K CB 0.006 32.470 32.500 -0.060 0.000 0.746 490 K HN 0.163 nan 8.250 nan 0.000 0.461 491 L N 0.258 121.338 121.223 -0.238 0.000 2.307 491 L HA 0.024 4.369 4.340 0.009 0.000 0.211 491 L C 2.362 179.163 176.870 -0.115 0.000 1.099 491 L CA 0.576 55.283 54.840 -0.221 0.000 0.816 491 L CB -0.270 41.605 42.059 -0.306 0.000 0.952 491 L HN 0.352 nan 8.230 nan 0.000 0.455 492 E N 0.237 120.383 120.200 -0.091 0.000 2.005 492 E HA -0.291 4.064 4.350 0.009 0.000 0.198 492 E C 2.208 178.783 176.600 -0.042 0.000 1.010 492 E CA 1.936 58.304 56.400 -0.053 0.000 0.825 492 E CB -0.001 29.675 29.700 -0.041 0.000 0.769 492 E HN 0.147 nan 8.360 nan 0.000 0.456 493 Q N -0.064 119.713 119.800 -0.039 0.000 2.207 493 Q HA -0.274 4.072 4.340 0.009 0.000 0.215 493 Q C 1.754 177.739 176.000 -0.026 0.000 1.006 493 Q CA 2.242 58.028 55.803 -0.027 0.000 0.903 493 Q CB -0.396 28.328 28.738 -0.023 0.000 0.947 493 Q HN 0.443 nan 8.270 nan 0.000 0.414 494 E N -1.244 118.934 120.200 -0.038 0.000 2.465 494 E HA 0.136 4.492 4.350 0.009 0.000 0.191 494 E C 0.885 177.469 176.600 -0.026 0.000 1.053 494 E CA 0.533 56.916 56.400 -0.029 0.000 0.869 494 E CB 0.052 29.731 29.700 -0.035 0.000 0.977 494 E HN 0.497 nan 8.360 nan 0.000 0.483 495 K N -0.092 120.291 120.400 -0.028 0.000 3.003 495 K HA -0.220 4.106 4.320 0.009 0.000 0.257 495 K C 0.752 177.337 176.600 -0.024 0.000 0.958 495 K CA 1.164 57.437 56.287 -0.023 0.000 0.707 495 K CB -3.049 29.442 32.500 -0.015 0.000 1.279 495 K HN 0.131 nan 8.250 nan 0.000 0.479 496 V N -2.125 117.767 119.914 -0.036 0.000 3.125 496 V HA 0.559 4.684 4.120 0.009 0.000 0.249 496 V C 1.027 177.099 176.094 -0.037 0.000 1.113 496 V CA 1.142 63.421 62.300 -0.035 0.000 1.106 496 V CB 0.448 32.245 31.823 -0.043 0.000 0.768 496 V HN 1.583 nan 8.190 nan 0.000 0.468 497 A N -0.177 122.615 122.820 -0.046 0.000 2.555 497 A HA 0.630 4.955 4.320 0.009 0.000 0.297 497 A C -0.259 177.305 177.584 -0.034 0.000 1.060 497 A CA -0.082 51.933 52.037 -0.036 0.000 0.710 497 A CB 1.088 20.064 19.000 -0.039 0.000 1.282 497 A HN 0.180 nan 8.150 nan 0.000 0.399 498 T N 0.404 114.946 114.554 -0.020 0.000 2.943 498 T HA 0.533 4.888 4.350 0.009 0.000 0.284 498 T C 1.373 176.067 174.700 -0.011 0.000 1.015 498 T CA -0.502 61.588 62.100 -0.016 0.000 1.042 498 T CB 1.092 69.954 68.868 -0.010 0.000 1.055 498 T HN 0.798 nan 8.240 nan 0.000 0.500 499 L N 0.323 121.540 121.223 -0.009 0.000 2.113 499 L HA -0.283 4.063 4.340 0.009 0.000 0.221 499 L C 2.900 179.771 176.870 0.002 0.000 1.084 499 L CA 2.533 57.371 54.840 -0.003 0.000 0.787 499 L CB -0.423 41.634 42.059 -0.002 0.000 0.893 499 L HN 0.949 nan 8.230 nan 0.000 0.440 500 E N -0.461 119.740 120.200 0.002 0.000 2.046 500 E HA -0.204 4.151 4.350 0.009 0.000 0.190 500 E C 1.667 178.272 176.600 0.008 0.000 0.982 500 E CA 1.246 57.650 56.400 0.006 0.000 0.800 500 E CB -0.263 29.439 29.700 0.004 0.000 0.756 500 E HN 0.593 nan 8.360 nan 0.000 0.449 501 D N 0.292 120.695 120.400 0.005 0.000 2.137 501 D HA -0.222 4.424 4.640 0.009 0.000 0.189 501 D C 2.053 178.362 176.300 0.014 0.000 0.998 501 D CA 2.144 56.148 54.000 0.007 0.000 0.839 501 D CB -0.949 39.851 40.800 -0.000 0.000 0.962 501 D HN 0.426 nan 8.370 nan 0.000 0.446 502 A N 0.145 122.971 122.820 0.010 0.000 1.917 502 A HA -0.225 4.101 4.320 0.009 0.000 0.219 502 A C 2.432 180.031 177.584 0.026 0.000 1.182 502 A CA 2.625 54.672 52.037 0.017 0.000 0.633 502 A CB -1.070 17.937 19.000 0.011 0.000 0.819 502 A HN 0.284 nan 8.150 nan 0.000 0.448 503 T N -0.150 114.417 114.554 0.022 0.000 2.788 503 T HA -0.127 4.228 4.350 0.009 0.000 0.268 503 T C 1.825 176.546 174.700 0.035 0.000 1.044 503 T CA 1.726 63.842 62.100 0.027 0.000 1.139 503 T CB -0.254 68.627 68.868 0.020 0.000 0.867 503 T HN 0.908 nan 8.240 nan 0.000 0.454 504 E N 0.481 120.700 120.200 0.031 0.000 2.216 504 E HA -0.012 4.344 4.350 0.009 0.000 0.192 504 E C 2.157 178.787 176.600 0.050 0.000 0.988 504 E CA 0.615 57.036 56.400 0.036 0.000 0.834 504 E CB -0.354 29.362 29.700 0.027 0.000 0.772 504 E HN 0.400 nan 8.360 nan 0.000 0.479 505 M N 0.898 120.528 119.600 0.050 0.000 2.082 505 M HA -0.210 4.276 4.480 0.009 0.000 0.258 505 M C 2.305 178.661 176.300 0.093 0.000 1.071 505 M CA 1.826 57.166 55.300 0.066 0.000 1.103 505 M CB -0.273 32.358 32.600 0.050 0.000 1.307 505 M HN 0.101 nan 8.290 nan 0.000 0.409 506 V N 1.193 121.153 119.914 0.077 0.000 2.250 506 V HA -0.349 3.777 4.120 0.009 0.000 0.250 506 V C 1.996 178.167 176.094 0.128 0.000 1.060 506 V CA 2.177 64.536 62.300 0.098 0.000 1.030 506 V CB -1.006 30.860 31.823 0.072 0.000 0.643 506 V HN 0.517 nan 8.190 nan 0.000 0.445 507 N N -0.136 118.618 118.700 0.090 0.000 2.216 507 N HA -0.039 4.707 4.740 0.009 0.000 0.183 507 N C 1.842 177.397 175.510 0.074 0.000 1.017 507 N CA 1.089 54.185 53.050 0.077 0.000 0.861 507 N CB -0.301 38.216 38.487 0.050 0.000 0.986 507 N HN 0.389 nan 8.380 nan 0.000 0.428 508 L N -0.171 121.099 121.223 0.079 0.000 2.046 508 L HA -0.189 4.157 4.340 0.009 0.000 0.208 508 L C 2.334 179.245 176.870 0.069 0.000 1.077 508 L CA 1.285 56.163 54.840 0.063 0.000 0.747 508 L CB -0.500 41.599 42.059 0.065 0.000 0.896 508 L HN 0.149 nan 8.230 nan 0.000 0.432 509 Y N 0.675 120.979 120.300 0.007 0.000 2.184 509 Y HA -0.225 4.330 4.550 0.009 0.000 0.290 509 Y C 2.923 178.815 175.900 -0.014 0.000 1.129 509 Y CA 1.514 59.612 58.100 -0.004 0.000 1.144 509 Y CB -0.172 38.292 38.460 0.007 0.000 0.995 509 Y HN -0.032 nan 8.280 nan 0.000 0.513 510 R N 0.296 120.859 120.500 0.106 0.000 2.091 510 R HA -0.186 4.160 4.340 0.009 0.000 0.238 510 R C 1.629 177.900 176.300 -0.049 0.000 1.136 510 R CA 2.049 58.179 56.100 0.049 0.000 0.959 510 R CB -0.349 30.043 30.300 0.153 0.000 0.856 510 R HN 0.388 nan 8.270 nan 0.000 0.437 511 D N 0.257 120.638 120.400 -0.031 0.000 2.097 511 D HA -0.146 4.500 4.640 0.009 0.000 0.195 511 D C 1.771 178.007 176.300 -0.106 0.000 0.989 511 D CA 1.549 55.525 54.000 -0.040 0.000 0.827 511 D CB -0.377 40.413 40.800 -0.017 0.000 0.966 511 D HN 0.365 nan 8.370 nan 0.000 0.456 512 A N 1.098 123.812 122.820 -0.177 0.000 1.892 512 A HA -0.176 4.150 4.320 0.009 0.000 0.218 512 A C 2.451 179.854 177.584 -0.302 0.000 1.188 512 A CA 1.164 53.056 52.037 -0.240 0.000 0.631 512 A CB -0.936 17.880 19.000 -0.306 0.000 0.822 512 A HN 0.228 nan 8.150 nan 0.000 0.447 513 L N -0.585 120.365 121.223 -0.456 0.000 2.043 513 L HA -0.241 4.105 4.340 0.009 0.000 0.212 513 L C 2.142 178.890 176.870 -0.204 0.000 1.075 513 L CA 1.650 56.216 54.840 -0.458 0.000 0.752 513 L CB -0.827 40.719 42.059 -0.855 0.000 0.891 513 L HN 0.323 nan 8.230 nan 0.000 0.432 514 D N 0.086 120.407 120.400 -0.133 0.000 2.144 514 D HA -0.135 4.510 4.640 0.009 0.000 0.199 514 D C 2.175 178.490 176.300 0.024 0.000 0.984 514 D CA 1.496 55.508 54.000 0.020 0.000 0.834 514 D CB 0.086 40.909 40.800 0.038 0.000 0.955 514 D HN 0.334 nan 8.370 nan 0.000 0.465 515 A N -0.391 122.412 122.820 -0.028 0.000 2.016 515 A HA 0.296 4.622 4.320 0.009 0.000 0.217 515 A C 1.912 179.483 177.584 -0.023 0.000 1.162 515 A CA 1.622 53.645 52.037 -0.024 0.000 0.662 515 A CB -0.205 18.767 19.000 -0.047 0.000 0.812 515 A HN 0.292 nan 8.150 nan 0.000 0.450 516 G N -0.914 107.856 108.800 -0.050 0.000 2.157 516 G HA2 -0.183 3.783 3.960 0.009 0.000 0.248 516 G HA3 -0.183 3.783 3.960 0.009 0.000 0.248 516 G C -0.322 174.493 174.900 -0.142 0.000 0.979 516 G CA 0.297 45.361 45.100 -0.060 0.000 0.650 516 G HN 0.497 nan 8.290 nan 0.000 0.529 517 D N -0.487 119.825 120.400 -0.147 0.000 2.332 517 D HA 0.437 5.083 4.640 0.009 0.000 0.252 517 D C 1.123 177.288 176.300 -0.226 0.000 1.050 517 D CA -0.135 53.765 54.000 -0.167 0.000 0.970 517 D CB 1.383 42.114 40.800 -0.115 0.000 1.141 517 D HN 0.308 nan 8.370 nan 0.000 0.485 518 C N 1.332 120.461 119.300 -0.286 0.000 2.348 518 C HA -0.006 4.459 4.460 0.009 0.000 0.391 518 C C 1.798 176.659 174.990 -0.215 0.000 1.463 518 C CA 0.024 58.835 59.018 -0.345 0.000 1.550 518 C CB -0.981 26.433 27.740 -0.543 0.000 2.539 518 C HN 0.426 nan 8.230 nan 0.000 0.588 519 V N 4.917 124.721 119.914 -0.183 0.000 3.427 519 V HA 0.309 4.434 4.120 0.009 0.000 0.305 519 V C 0.319 176.410 176.094 -0.006 0.000 1.412 519 V CA 0.217 62.462 62.300 -0.091 0.000 1.086 519 V CB -0.307 31.455 31.823 -0.101 0.000 0.964 519 V HN 0.633 nan 8.190 nan 0.000 0.439 520 V N 2.133 122.031 119.914 -0.026 0.000 2.320 520 V HA 0.623 4.749 4.120 0.009 0.000 0.265 520 V C 1.821 177.932 176.094 0.029 0.000 1.048 520 V CA 0.539 62.859 62.300 0.033 0.000 0.865 520 V CB 0.209 32.085 31.823 0.088 0.000 1.043 520 V HN 0.453 nan 8.190 nan 0.000 0.474 521 A N 4.501 127.320 122.820 -0.002 0.000 1.948 521 A HA -0.160 4.165 4.320 0.009 0.000 0.220 521 A C 1.947 179.491 177.584 -0.067 0.000 1.177 521 A CA 1.844 53.872 52.037 -0.015 0.000 0.636 521 A CB -0.090 18.896 19.000 -0.022 0.000 0.815 521 A HN 0.843 nan 8.150 nan 0.000 0.449 522 E N -1.630 118.425 120.200 -0.241 0.000 2.489 522 E HA -0.083 4.273 4.350 0.009 0.000 0.193 522 E C 0.460 176.807 176.600 -0.422 0.000 1.057 522 E CA -0.329 55.775 56.400 -0.493 0.000 0.866 522 E CB -0.557 28.495 29.700 -1.080 0.000 0.916 522 E HN 0.715 nan 8.360 nan 0.000 0.500 523 W N 2.900 124.001 121.300 -0.330 0.000 2.231 523 W HA 0.016 4.682 4.660 0.010 0.000 0.341 523 W C 0.092 176.574 176.519 -0.062 0.000 1.298 523 W CA 0.480 57.752 57.345 -0.121 0.000 1.266 523 W CB 0.517 29.960 29.460 -0.029 0.000 1.172 523 W HN -0.181 nan 8.180 nan 0.000 0.568 524 R N 5.545 125.491 120.500 -0.923 0.000 2.651 524 R HA 0.320 4.665 4.340 0.009 0.000 0.278 524 R C -2.633 172.846 176.300 -1.369 0.000 1.010 524 R CA -2.199 53.334 56.100 -0.946 0.000 0.896 524 R CB 1.112 31.166 30.300 -0.409 0.000 1.211 524 R HN 0.234 nan 8.270 nan 0.000 0.456 525 P HA 0.104 nan 4.420 nan 0.000 0.268 525 P C -0.207 176.927 177.300 -0.276 0.000 1.205 525 P CA 0.062 62.837 63.100 -0.542 0.000 0.771 525 P CB 0.501 32.096 31.700 -0.175 0.000 0.858 526 M N 1.930 121.463 119.600 -0.111 0.000 2.228 526 M HA 0.132 4.618 4.480 0.009 0.000 0.326 526 M C 1.039 177.321 176.300 -0.030 0.000 1.122 526 M CA 0.031 55.265 55.300 -0.110 0.000 1.161 526 M CB 0.148 32.609 32.600 -0.232 0.000 1.437 526 M HN 0.313 nan 8.290 nan 0.000 0.465 527 N N 1.132 119.736 118.700 -0.159 0.000 2.508 527 N HA 0.025 4.770 4.740 0.009 0.000 0.264 527 N C 0.593 176.060 175.510 -0.072 0.000 1.216 527 N CA -0.112 52.803 53.050 -0.225 0.000 0.943 527 N CB 0.988 39.114 38.487 -0.603 0.000 1.113 527 N HN 0.666 nan 8.380 nan 0.000 0.447 528 M N 3.305 122.921 119.600 0.027 0.000 2.152 528 M HA -0.299 4.187 4.480 0.009 0.000 0.251 528 M C 1.947 178.358 176.300 0.185 0.000 1.080 528 M CA 1.962 57.358 55.300 0.160 0.000 1.079 528 M CB -0.802 31.823 32.600 0.043 0.000 1.317 528 M HN 0.751 nan 8.290 nan 0.000 0.404 529 H N -3.413 115.714 119.070 0.094 0.000 2.545 529 H HA 0.076 4.638 4.556 0.010 0.000 0.282 529 H C 1.423 176.727 175.328 -0.039 0.000 1.020 529 H CA 1.135 57.200 56.048 0.030 0.000 1.243 529 H CB -0.487 29.270 29.762 -0.008 0.000 1.377 529 H HN 0.358 nan 8.280 nan 0.000 0.581 530 S N 0.408 116.118 115.700 0.016 0.000 2.561 530 S HA 0.037 4.513 4.470 0.009 0.000 0.225 530 S C 0.031 174.417 174.600 -0.357 0.000 0.977 530 S CA 0.008 58.067 58.200 -0.235 0.000 0.926 530 S CB -0.282 62.625 63.200 -0.488 0.000 0.769 530 S HN 0.278 nan 8.310 nan 0.000 0.533 531 F N 2.443 122.406 119.950 0.022 0.000 2.573 531 F HA 0.173 4.706 4.527 0.010 0.000 0.349 531 F C 1.725 177.589 175.800 0.106 0.000 1.213 531 F CA -0.541 57.503 58.000 0.074 0.000 1.300 531 F CB -0.225 38.813 39.000 0.063 0.000 1.661 531 F HN 0.078 nan 8.300 nan 0.000 0.616 532 T N -3.624 111.038 114.554 0.180 0.000 3.072 532 T HA -0.164 4.192 4.350 0.009 0.000 0.266 532 T C 1.261 175.970 174.700 0.015 0.000 1.127 532 T CA 0.615 62.744 62.100 0.048 0.000 1.107 532 T CB -0.184 68.632 68.868 -0.087 0.000 0.910 532 T HN 0.545 nan 8.240 nan 0.000 0.513 533 W N 1.838 123.270 121.300 0.219 0.000 3.177 533 W HA 0.284 4.949 4.660 0.009 0.000 0.309 533 W C 2.563 179.267 176.519 0.309 0.000 1.224 533 W CA 0.045 57.564 57.345 0.291 0.000 1.718 533 W CB 0.123 29.693 29.460 0.184 0.000 1.078 533 W HN 0.332 nan 8.180 nan 0.000 0.618 534 S N 0.410 116.338 115.700 0.380 0.000 2.399 534 S HA -0.143 4.332 4.470 0.009 0.000 0.231 534 S C -0.546 174.141 174.600 0.144 0.000 1.022 534 S CA 1.045 59.387 58.200 0.237 0.000 0.983 534 S CB -1.811 61.474 63.200 0.141 0.000 0.803 534 S HN 0.060 nan 8.310 nan 0.000 0.480 535 P HA -0.005 nan 4.420 nan 0.000 0.225 535 P C 0.114 177.318 177.300 -0.159 0.000 1.148 535 P CA 0.940 63.910 63.100 -0.216 0.000 0.779 535 P CB -0.240 31.104 31.700 -0.594 0.000 0.780 536 Y N -2.301 118.171 120.300 0.286 0.000 2.584 536 Y HA 0.255 4.811 4.550 0.009 0.000 0.254 536 Y C 1.850 178.054 175.900 0.507 0.000 1.177 536 Y CA -0.219 58.101 58.100 0.367 0.000 1.216 536 Y CB -0.116 38.495 38.460 0.251 0.000 1.172 536 Y HN -0.130 nan 8.280 nan 0.000 0.529 537 L N -0.062 121.413 121.223 0.420 0.000 2.168 537 L HA 0.071 4.417 4.340 0.009 0.000 0.203 537 L C 0.129 177.087 176.870 0.145 0.000 1.078 537 L CA 1.045 56.050 54.840 0.276 0.000 0.780 537 L CB 0.108 42.272 42.059 0.176 0.000 0.939 537 L HN 0.210 nan 8.230 nan 0.000 0.451 538 N N 0.211 118.869 118.700 -0.071 0.000 2.804 538 N HA 0.254 5.000 4.740 0.009 0.000 0.251 538 N C -1.151 174.146 175.510 -0.355 0.000 1.250 538 N CA -0.094 52.868 53.050 -0.145 0.000 0.820 538 N CB 0.771 39.179 38.487 -0.132 0.000 1.156 538 N HN 0.180 nan 8.380 nan 0.000 0.512 539 H N -0.625 118.498 119.070 0.089 0.000 2.717 539 H HA 0.287 4.849 4.556 0.009 0.000 0.366 539 H C -0.362 175.017 175.328 0.086 0.000 1.132 539 H CA -0.265 55.830 56.048 0.078 0.000 1.180 539 H CB 2.080 31.901 29.762 0.099 0.000 1.678 539 H HN 0.097 nan 8.280 nan 0.000 0.537 540 E N 1.646 121.945 120.200 0.165 0.000 2.254 540 E HA 0.071 4.427 4.350 0.009 0.000 0.261 540 E C 0.946 177.612 176.600 0.111 0.000 1.051 540 E CA -0.551 55.917 56.400 0.113 0.000 0.902 540 E CB 1.416 31.113 29.700 -0.005 0.000 1.168 540 E HN 0.808 nan 8.360 nan 0.000 0.423 541 W N 0.727 122.062 121.300 0.059 0.000 2.523 541 W HA -0.011 4.655 4.660 0.009 0.000 0.278 541 W C 0.312 176.859 176.519 0.047 0.000 1.236 541 W CA 1.123 58.491 57.345 0.037 0.000 1.306 541 W CB -0.221 29.242 29.460 0.006 0.000 1.101 541 W HN 0.590 nan 8.180 nan 0.000 0.577 542 D N 0.824 120.567 120.400 -1.095 0.000 2.370 542 D HA 0.050 4.695 4.640 0.009 0.000 0.230 542 D C -0.200 175.865 176.300 -0.390 0.000 1.143 542 D CA -0.051 53.309 54.000 -1.067 0.000 0.834 542 D CB -0.758 39.108 40.800 -1.556 0.000 0.944 542 D HN 0.194 nan 8.370 nan 0.000 0.504 543 E N 0.607 120.703 120.200 -0.173 0.000 2.373 543 E HA 0.070 4.426 4.350 0.009 0.000 0.267 543 E C -0.281 176.348 176.600 0.048 0.000 1.032 543 E CA -0.304 56.074 56.400 -0.037 0.000 0.889 543 E CB 0.767 30.494 29.700 0.045 0.000 0.984 543 E HN 0.079 nan 8.360 nan 0.000 0.425 544 E N 1.972 122.190 120.200 0.029 0.000 2.384 544 E HA 0.050 4.406 4.350 0.009 0.000 0.266 544 E C -1.325 175.341 176.600 0.111 0.000 1.012 544 E CA 0.348 56.770 56.400 0.035 0.000 0.901 544 E CB 0.299 29.984 29.700 -0.024 0.000 0.967 544 E HN 0.314 nan 8.360 nan 0.000 0.435 545 Y N 1.648 121.941 120.300 -0.013 0.000 2.581 545 Y HA 0.625 5.180 4.550 0.009 0.000 0.345 545 Y C -2.556 173.343 175.900 -0.002 0.000 1.036 545 Y CA -3.041 55.055 58.100 -0.007 0.000 1.042 545 Y CB 0.954 39.413 38.460 -0.002 0.000 1.289 545 Y HN 0.318 nan 8.280 nan 0.000 0.471 546 P HA 0.138 nan 4.420 nan 0.000 0.249 546 P C -0.540 176.694 177.300 -0.110 0.000 1.737 546 P CA 0.109 63.162 63.100 -0.078 0.000 1.128 546 P CB -0.228 31.489 31.700 0.029 0.000 1.942 547 N N 1.929 120.355 118.700 -0.456 0.000 2.084 547 N HA -0.177 4.569 4.740 0.009 0.000 0.190 547 N C 0.356 175.879 175.510 0.021 0.000 1.030 547 N CA 0.746 53.640 53.050 -0.260 0.000 0.849 547 N CB -0.488 37.687 38.487 -0.520 0.000 1.012 547 N HN 0.141 nan 8.380 nan 0.000 0.423 548 K N 0.417 120.801 120.400 -0.026 0.000 2.401 548 K HA 0.260 4.586 4.320 0.009 0.000 0.278 548 K C -1.019 175.623 176.600 0.071 0.000 1.018 548 K CA -0.236 56.075 56.287 0.041 0.000 0.981 548 K CB 1.381 33.878 32.500 -0.004 0.000 0.933 548 K HN -0.036 nan 8.250 nan 0.000 0.477 549 V N 2.759 122.734 119.914 0.102 0.000 2.680 549 V HA 0.146 4.272 4.120 0.009 0.000 0.309 549 V C -0.104 176.020 176.094 0.051 0.000 1.052 549 V CA -0.986 61.363 62.300 0.082 0.000 0.908 549 V CB 1.834 33.728 31.823 0.117 0.000 1.001 549 V HN 0.685 nan 8.190 nan 0.000 0.431 550 E N 2.435 122.657 120.200 0.037 0.000 2.344 550 E HA 0.052 4.408 4.350 0.009 0.000 0.270 550 E C 0.708 177.321 176.600 0.022 0.000 1.021 550 E CA -0.176 56.238 56.400 0.024 0.000 0.887 550 E CB 1.306 31.018 29.700 0.020 0.000 0.997 550 E HN 0.678 nan 8.360 nan 0.000 0.429 551 M N 4.956 124.565 119.600 0.015 0.000 2.082 551 M HA -0.259 4.226 4.480 0.009 0.000 0.258 551 M C 1.919 178.229 176.300 0.016 0.000 1.069 551 M CA 1.943 57.249 55.300 0.010 0.000 1.102 551 M CB -0.199 32.406 32.600 0.008 0.000 1.336 551 M HN 0.413 nan 8.290 nan 0.000 0.404 552 K N -0.786 119.624 120.400 0.017 0.000 2.089 552 K HA -0.285 4.040 4.320 0.009 0.000 0.210 552 K C 2.255 178.871 176.600 0.026 0.000 1.048 552 K CA 2.168 58.467 56.287 0.020 0.000 0.926 552 K CB -0.178 32.332 32.500 0.017 0.000 0.714 552 K HN 0.296 nan 8.250 nan 0.000 0.448 553 R N 0.425 120.942 120.500 0.028 0.000 2.080 553 R HA -0.023 4.323 4.340 0.009 0.000 0.222 553 R C 2.258 178.582 176.300 0.041 0.000 1.107 553 R CA 0.661 56.783 56.100 0.036 0.000 0.980 553 R CB -0.552 29.771 30.300 0.039 0.000 0.879 553 R HN 0.150 nan 8.270 nan 0.000 0.439 554 L N 1.053 122.295 121.223 0.032 0.000 2.043 554 L HA -0.216 4.130 4.340 0.009 0.000 0.212 554 L C 1.946 178.832 176.870 0.027 0.000 1.075 554 L CA 1.949 56.799 54.840 0.017 0.000 0.752 554 L CB -0.441 41.603 42.059 -0.026 0.000 0.891 554 L HN 0.339 nan 8.230 nan 0.000 0.432 555 Q N -1.318 118.503 119.800 0.035 0.000 2.137 555 Q HA -0.197 4.149 4.340 0.009 0.000 0.198 555 Q C 2.149 178.182 176.000 0.056 0.000 0.960 555 Q CA 1.286 57.121 55.803 0.055 0.000 0.847 555 Q CB 0.016 28.782 28.738 0.047 0.000 0.915 555 Q HN 0.583 nan 8.270 nan 0.000 0.448 556 E N 0.620 120.848 120.200 0.048 0.000 2.058 556 E HA -0.183 4.173 4.350 0.009 0.000 0.194 556 E C 1.918 178.555 176.600 0.061 0.000 0.997 556 E CA 0.909 57.339 56.400 0.051 0.000 0.801 556 E CB 0.055 29.783 29.700 0.048 0.000 0.746 556 E HN 0.257 nan 8.360 nan 0.000 0.450 557 L N -0.116 121.144 121.223 0.062 0.000 2.056 557 L HA -0.132 4.214 4.340 0.009 0.000 0.207 557 L C 2.504 179.414 176.870 0.068 0.000 1.078 557 L CA 0.909 55.788 54.840 0.065 0.000 0.749 557 L CB -0.378 41.718 42.059 0.061 0.000 0.901 557 L HN 0.181 nan 8.230 nan 0.000 0.433 558 A N -0.171 122.695 122.820 0.077 0.000 1.972 558 A HA -0.244 4.082 4.320 0.009 0.000 0.219 558 A C 2.418 180.057 177.584 0.091 0.000 1.169 558 A CA 1.838 53.941 52.037 0.109 0.000 0.635 558 A CB -0.402 18.710 19.000 0.186 0.000 0.810 558 A HN 0.312 nan 8.150 nan 0.000 0.446 559 K N -0.882 119.565 120.400 0.077 0.000 2.076 559 K HA -0.112 4.214 4.320 0.009 0.000 0.204 559 K C 2.268 178.915 176.600 0.078 0.000 1.051 559 K CA 1.121 57.448 56.287 0.066 0.000 0.949 559 K CB -0.149 32.383 32.500 0.053 0.000 0.726 559 K HN 0.256 nan 8.250 nan 0.000 0.443 560 R N 1.543 122.091 120.500 0.080 0.000 2.083 560 R HA -0.087 4.259 4.340 0.009 0.000 0.237 560 R C 2.189 178.557 176.300 0.113 0.000 1.137 560 R CA 1.882 58.037 56.100 0.091 0.000 0.951 560 R CB -0.466 29.886 30.300 0.086 0.000 0.851 560 R HN 0.505 nan 8.270 nan 0.000 0.434 561 I N -1.273 119.357 120.570 0.100 0.000 3.564 561 I HA 0.070 4.246 4.170 0.009 0.000 0.294 561 I C 0.872 177.110 176.117 0.201 0.000 1.289 561 I CA 1.204 62.573 61.300 0.114 0.000 1.325 561 I CB 0.029 38.058 38.000 0.048 0.000 1.039 561 I HN 0.099 nan 8.210 nan 0.000 0.474 562 S N -0.838 114.972 115.700 0.183 0.000 2.603 562 S HA 0.245 4.721 4.470 0.009 0.000 0.232 562 S C 0.551 175.325 174.600 0.289 0.000 1.016 562 S CA -0.423 57.925 58.200 0.246 0.000 0.976 562 S CB -0.108 63.125 63.200 0.056 0.000 0.921 562 S HN 0.336 nan 8.310 nan 0.000 0.516 563 T N 2.470 117.139 114.554 0.192 0.000 2.794 563 T HA 0.666 5.021 4.350 0.009 0.000 0.280 563 T C -0.780 173.976 174.700 0.094 0.000 0.987 563 T CA -0.431 61.739 62.100 0.118 0.000 0.993 563 T CB 1.694 70.607 68.868 0.076 0.000 0.939 563 T HN 0.129 nan 8.240 nan 0.000 0.449 564 V N 5.112 125.022 119.914 -0.008 0.000 2.588 564 V HA 0.422 4.548 4.120 0.009 0.000 0.304 564 V C -2.210 173.739 176.094 -0.242 0.000 1.042 564 V CA -2.129 60.082 62.300 -0.148 0.000 0.877 564 V CB 1.426 33.108 31.823 -0.234 0.000 0.996 564 V HN 0.711 nan 8.190 nan 0.000 0.425 565 P HA 0.098 nan 4.420 nan 0.000 0.268 565 P C 0.815 177.959 177.300 -0.260 0.000 1.208 565 P CA -0.162 62.755 63.100 -0.305 0.000 0.777 565 P CB 0.615 32.080 31.700 -0.393 0.000 0.875 566 E N 1.712 121.812 120.200 -0.167 0.000 2.208 566 E HA -0.128 4.228 4.350 0.009 0.000 0.193 566 E C 1.612 178.134 176.600 -0.131 0.000 0.988 566 E CA 0.829 57.151 56.400 -0.130 0.000 0.828 566 E CB -0.554 29.095 29.700 -0.086 0.000 0.763 566 E HN 0.385 nan 8.360 nan 0.000 0.478 567 A N 1.567 124.303 122.820 -0.140 0.000 1.997 567 A HA -0.098 4.228 4.320 0.009 0.000 0.221 567 A C 1.402 178.900 177.584 -0.144 0.000 1.172 567 A CA 1.224 53.185 52.037 -0.127 0.000 0.645 567 A CB -0.664 18.261 19.000 -0.124 0.000 0.813 567 A HN 0.182 nan 8.150 nan 0.000 0.454 568 V N 1.375 121.159 119.914 -0.216 0.000 2.427 568 V HA 0.302 4.427 4.120 0.009 0.000 0.268 568 V C 0.193 176.198 176.094 -0.148 0.000 1.046 568 V CA 0.178 62.353 62.300 -0.207 0.000 0.970 568 V CB 0.745 32.360 31.823 -0.347 0.000 1.001 568 V HN 0.510 nan 8.190 nan 0.000 0.476 569 E N 7.015 127.160 120.200 -0.093 0.000 2.113 569 E HA 0.568 4.924 4.350 0.009 0.000 0.273 569 E C -0.631 175.939 176.600 -0.050 0.000 0.924 569 E CA -0.707 55.653 56.400 -0.067 0.000 0.764 569 E CB 1.488 31.161 29.700 -0.045 0.000 1.104 569 E HN 0.673 nan 8.360 nan 0.000 0.406 570 M N 2.700 122.264 119.600 -0.059 0.000 2.367 570 M HA 0.293 4.779 4.480 0.009 0.000 0.339 570 M C 0.387 176.678 176.300 -0.015 0.000 1.177 570 M CA -0.932 54.339 55.300 -0.048 0.000 1.068 570 M CB 2.092 34.637 32.600 -0.091 0.000 1.602 570 M HN 0.662 nan 8.290 nan 0.000 0.457 571 Q N 0.278 120.086 119.800 0.013 0.000 2.349 571 Q HA 0.013 4.358 4.340 0.009 0.000 0.287 571 Q C 1.334 177.336 176.000 0.004 0.000 1.044 571 Q CA 0.226 56.041 55.803 0.021 0.000 0.918 571 Q CB 0.153 28.922 28.738 0.052 0.000 1.242 571 Q HN 0.973 nan 8.270 nan 0.000 0.405 572 S N 0.600 116.300 115.700 0.000 0.000 2.374 572 S HA -0.274 4.201 4.470 0.009 0.000 0.227 572 S C 1.924 176.519 174.600 -0.009 0.000 1.037 572 S CA 1.399 59.595 58.200 -0.006 0.000 1.024 572 S CB -0.316 62.880 63.200 -0.007 0.000 0.861 572 S HN 0.504 nan 8.310 nan 0.000 0.456 573 R N 0.176 120.670 120.500 -0.010 0.000 2.115 573 R HA 0.106 4.451 4.340 0.009 0.000 0.230 573 R C 2.412 178.686 176.300 -0.044 0.000 1.111 573 R CA 1.272 57.359 56.100 -0.021 0.000 0.976 573 R CB -1.548 28.739 30.300 -0.022 0.000 0.870 573 R HN 0.591 nan 8.270 nan 0.000 0.445 574 V N 0.268 120.151 119.914 -0.051 0.000 2.453 574 V HA -0.045 4.080 4.120 0.009 0.000 0.247 574 V C 2.749 178.864 176.094 0.035 0.000 1.048 574 V CA 1.705 63.953 62.300 -0.087 0.000 1.049 574 V CB -0.945 30.840 31.823 -0.064 0.000 0.672 574 V HN 0.618 nan 8.190 nan 0.000 0.457 575 A N 0.374 123.201 122.820 0.011 0.000 1.908 575 A HA -0.278 4.048 4.320 0.009 0.000 0.218 575 A C 2.488 180.105 177.584 0.055 0.000 1.181 575 A CA 2.538 54.593 52.037 0.029 0.000 0.627 575 A CB -0.607 18.391 19.000 -0.005 0.000 0.818 575 A HN 0.397 nan 8.150 nan 0.000 0.445 576 K N -0.063 120.351 120.400 0.023 0.000 2.026 576 K HA -0.086 4.240 4.320 0.009 0.000 0.208 576 K C 1.926 178.535 176.600 0.015 0.000 1.048 576 K CA 1.454 57.748 56.287 0.013 0.000 0.929 576 K CB -0.829 31.669 32.500 -0.003 0.000 0.713 576 K HN 0.542 nan 8.250 nan 0.000 0.439 577 I N -0.327 120.250 120.570 0.011 0.000 2.163 577 I HA -0.230 3.945 4.170 0.009 0.000 0.243 577 I C 2.413 178.497 176.117 -0.054 0.000 1.085 577 I CA 1.960 63.248 61.300 -0.020 0.000 1.347 577 I CB -0.999 36.966 38.000 -0.059 0.000 1.044 577 I HN 0.287 nan 8.210 nan 0.000 0.408 578 Y N 1.207 121.479 120.300 -0.046 0.000 2.207 578 Y HA -0.206 4.349 4.550 0.010 0.000 0.287 578 Y C 2.737 178.619 175.900 -0.030 0.000 1.156 578 Y CA 1.629 59.713 58.100 -0.026 0.000 1.182 578 Y CB -0.702 37.748 38.460 -0.018 0.000 0.979 578 Y HN 0.148 nan 8.280 nan 0.000 0.521 579 A N 0.016 122.884 122.820 0.079 0.000 1.902 579 A HA -0.206 4.119 4.320 0.009 0.000 0.217 579 A C 1.922 179.485 177.584 -0.035 0.000 1.181 579 A CA 1.999 54.048 52.037 0.019 0.000 0.623 579 A CB -0.763 nan 19.000 nan 0.000 0.818 579 A HN 0.361 nan 8.150 nan 0.000 0.443 580 D N -0.443 119.924 120.400 -0.054 0.000 2.133 580 D HA -0.155 4.491 4.640 0.009 0.000 0.195 580 D C 2.131 178.335 176.300 -0.160 0.000 0.997 580 D CA 1.308 55.250 54.000 -0.097 0.000 0.840 580 D CB -0.318 40.432 40.800 -0.084 0.000 0.947 580 D HN 0.457 nan 8.370 nan 0.000 0.452 581 R N 0.057 120.453 120.500 -0.175 0.000 2.115 581 R HA -0.031 4.314 4.340 0.009 0.000 0.230 581 R C 2.348 178.550 176.300 -0.164 0.000 1.111 581 R CA 0.773 56.739 56.100 -0.223 0.000 0.976 581 R CB -0.045 30.084 30.300 -0.286 0.000 0.870 581 R HN 0.335 nan 8.270 nan 0.000 0.445 582 Q N -0.112 119.635 119.800 -0.088 0.000 2.079 582 Q HA -0.074 4.272 4.340 0.009 0.000 0.200 582 Q C 2.205 178.158 176.000 -0.079 0.000 0.974 582 Q CA 1.409 57.183 55.803 -0.048 0.000 0.840 582 Q CB -0.078 28.657 28.738 -0.004 0.000 0.898 582 Q HN 0.344 nan 8.270 nan 0.000 0.430 583 A N 0.744 123.503 122.820 -0.102 0.000 1.940 583 A HA -0.222 4.104 4.320 0.009 0.000 0.219 583 A C 2.027 179.495 177.584 -0.194 0.000 1.176 583 A CA 1.544 53.510 52.037 -0.118 0.000 0.631 583 A CB -0.485 18.451 19.000 -0.108 0.000 0.814 583 A HN 0.309 nan 8.150 nan 0.000 0.446 584 M N -0.764 118.633 119.600 -0.338 0.000 2.132 584 M HA -0.083 4.403 4.480 0.009 0.000 0.263 584 M C 2.503 178.547 176.300 -0.426 0.000 1.065 584 M CA 1.271 56.159 55.300 -0.688 0.000 1.122 584 M CB -0.338 31.463 32.600 -1.331 0.000 1.365 584 M HN 0.458 nan 8.290 nan 0.000 0.411 585 A N 0.275 122.996 122.820 -0.166 0.000 1.978 585 A HA -0.047 4.279 4.320 0.009 0.000 0.220 585 A C 2.249 179.857 177.584 0.039 0.000 1.170 585 A CA 1.945 54.014 52.037 0.053 0.000 0.636 585 A CB -0.754 18.275 19.000 0.049 0.000 0.810 585 A HN 0.511 nan 8.150 nan 0.000 0.448 586 A N -2.560 120.249 122.820 -0.019 0.000 2.132 586 A HA 0.426 4.751 4.320 0.009 0.000 0.213 586 A C 1.837 179.420 177.584 -0.000 0.000 1.154 586 A CA 1.254 53.288 52.037 -0.004 0.000 0.753 586 A CB -0.501 18.489 19.000 -0.017 0.000 0.826 586 A HN 1.833 nan 8.150 nan 0.000 0.469 587 G N -1.488 107.305 108.800 -0.012 0.000 2.179 587 G HA2 -0.266 3.700 3.960 0.009 0.000 0.220 587 G HA3 -0.266 3.700 3.960 0.009 0.000 0.220 587 G C 0.770 175.656 174.900 -0.024 0.000 0.990 587 G CA 1.171 46.272 45.100 0.002 0.000 0.646 587 G HN 0.571 nan 8.290 nan 0.000 0.517 588 E N -0.086 120.084 120.200 -0.049 0.000 2.152 588 E HA 0.144 4.500 4.350 0.009 0.000 0.192 588 E C 1.004 177.568 176.600 -0.061 0.000 0.983 588 E CA 1.832 58.204 56.400 -0.047 0.000 0.818 588 E CB 0.005 29.676 29.700 -0.049 0.000 0.758 588 E HN 0.666 nan 8.360 nan 0.000 0.467 589 K N -0.314 120.023 120.400 -0.106 0.000 2.468 589 K HA 0.393 4.719 4.320 0.009 0.000 0.252 589 K C -0.761 175.742 176.600 -0.162 0.000 0.932 589 K CA -0.661 55.553 56.287 -0.121 0.000 0.794 589 K CB 1.499 33.912 32.500 -0.145 0.000 1.241 589 K HN 0.132 nan 8.250 nan 0.000 0.428 590 L N 3.931 125.110 121.223 -0.074 0.000 2.485 590 L HA 0.140 4.486 4.340 0.009 0.000 0.275 590 L C 0.067 176.899 176.870 -0.063 0.000 1.207 590 L CA -0.108 54.727 54.840 -0.008 0.000 0.855 590 L CB -0.012 42.073 42.059 0.044 0.000 1.114 590 L HN 0.486 nan 8.230 nan 0.000 0.485 591 F N 1.612 121.537 119.950 -0.041 0.000 2.529 591 F HA 0.016 4.548 4.527 0.009 0.000 0.365 591 F C 0.917 176.713 175.800 -0.007 0.000 1.102 591 F CA -0.329 57.641 58.000 -0.049 0.000 1.271 591 F CB 0.225 39.159 39.000 -0.110 0.000 1.120 591 F HN 0.540 nan 8.300 nan 0.000 0.579 592 D N 2.267 122.755 120.400 0.146 0.000 2.511 592 D HA -0.037 4.609 4.640 0.009 0.000 0.276 592 D C 1.002 177.456 176.300 0.258 0.000 1.220 592 D CA -0.541 53.576 54.000 0.194 0.000 1.077 592 D CB 0.034 40.932 40.800 0.163 0.000 1.126 592 D HN 0.558 nan 8.370 nan 0.000 0.583 593 W N 0.130 121.499 121.300 0.115 0.000 2.407 593 W HA 0.029 4.695 4.660 0.009 0.000 0.305 593 W C 1.944 178.572 176.519 0.182 0.000 1.196 593 W CA 1.903 59.318 57.345 0.116 0.000 1.311 593 W CB -0.547 28.946 29.460 0.055 0.000 1.135 593 W HN 0.574 nan 8.180 nan 0.000 0.514 594 G N 0.413 109.533 108.800 0.533 0.000 2.422 594 G HA2 -0.222 3.744 3.960 0.009 0.000 0.218 594 G HA3 -0.222 3.744 3.960 0.009 0.000 0.218 594 G C 1.701 176.709 174.900 0.180 0.000 1.146 594 G CA 1.289 46.623 45.100 0.390 0.000 0.769 594 G HN 0.394 nan 8.290 nan 0.000 0.547 595 G N 1.204 110.111 108.800 0.178 0.000 2.459 595 G HA2 0.001 3.967 3.960 0.009 0.000 0.217 595 G HA3 0.001 3.967 3.960 0.009 0.000 0.217 595 G C 2.077 177.105 174.900 0.214 0.000 1.183 595 G CA 1.671 46.893 45.100 0.203 0.000 0.776 595 G HN 0.648 nan 8.290 nan 0.000 0.552 596 A N 0.440 123.337 122.820 0.128 0.000 1.933 596 A HA -0.010 4.316 4.320 0.009 0.000 0.218 596 A C 2.181 179.688 177.584 -0.129 0.000 1.175 596 A CA 2.023 53.965 52.037 -0.159 0.000 0.628 596 A CB -0.423 18.410 19.000 -0.279 0.000 0.814 596 A HN 0.512 nan 8.150 nan 0.000 0.444 597 E N -0.010 120.113 120.200 -0.128 0.000 2.072 597 E HA -0.178 4.178 4.350 0.009 0.000 0.191 597 E C 1.742 178.048 176.600 -0.489 0.000 0.985 597 E CA 1.055 57.296 56.400 -0.266 0.000 0.801 597 E CB -0.246 29.422 29.700 -0.053 0.000 0.750 597 E HN 0.661 nan 8.360 nan 0.000 0.452 598 N N 0.601 119.176 118.700 -0.209 0.000 2.223 598 N HA -0.153 4.592 4.740 0.009 0.000 0.185 598 N C 1.948 177.387 175.510 -0.119 0.000 1.016 598 N CA 0.683 53.654 53.050 -0.132 0.000 0.863 598 N CB -0.054 38.418 38.487 -0.024 0.000 0.983 598 N HN 0.185 nan 8.380 nan 0.000 0.429 599 L N 1.486 122.661 121.223 -0.080 0.000 2.109 599 L HA 0.035 4.381 4.340 0.009 0.000 0.207 599 L C 2.275 179.171 176.870 0.043 0.000 1.086 599 L CA 1.161 55.993 54.840 -0.013 0.000 0.760 599 L CB -0.872 41.136 42.059 -0.086 0.000 0.910 599 L HN 0.012 nan 8.230 nan 0.000 0.437 600 A N -0.818 121.996 122.820 -0.011 0.000 1.873 600 A HA -0.278 4.047 4.320 0.009 0.000 0.218 600 A C 2.132 179.647 177.584 -0.116 0.000 1.193 600 A CA 2.192 54.100 52.037 -0.214 0.000 0.629 600 A CB -1.203 17.544 19.000 -0.423 0.000 0.826 600 A HN 0.518 nan 8.150 nan 0.000 0.447 601 Y N -0.080 120.212 120.300 -0.014 0.000 2.165 601 Y HA -0.121 4.435 4.550 0.010 0.000 0.286 601 Y C 2.966 178.845 175.900 -0.035 0.000 1.155 601 Y CA 0.332 58.430 58.100 -0.002 0.000 1.164 601 Y CB -1.337 37.125 38.460 0.003 0.000 0.978 601 Y HN 0.334 nan 8.280 nan 0.000 0.513 602 A N 0.094 122.957 122.820 0.072 0.000 1.902 602 A HA -0.223 4.102 4.320 0.009 0.000 0.217 602 A C 2.392 180.003 177.584 0.044 0.000 1.181 602 A CA 2.616 54.668 52.037 0.025 0.000 0.623 602 A CB -1.375 17.631 19.000 0.011 0.000 0.818 602 A HN 0.546 nan 8.150 nan 0.000 0.443 603 T N -1.515 113.070 114.554 0.051 0.000 2.867 603 T HA -0.040 4.316 4.350 0.009 0.000 0.268 603 T C 1.782 176.509 174.700 0.046 0.000 1.057 603 T CA 1.429 63.561 62.100 0.053 0.000 1.136 603 T CB -0.505 68.394 68.868 0.052 0.000 0.874 603 T HN 0.318 nan 8.240 nan 0.000 0.466 604 L N 1.551 122.803 121.223 0.047 0.000 2.049 604 L HA 0.049 4.394 4.340 0.009 0.000 0.203 604 L C 3.090 179.991 176.870 0.052 0.000 1.074 604 L CA 1.166 56.037 54.840 0.052 0.000 0.749 604 L CB -0.803 41.299 42.059 0.071 0.000 0.907 604 L HN 0.292 nan 8.230 nan 0.000 0.439 605 V N -2.819 117.126 119.914 0.053 0.000 2.626 605 V HA -0.219 3.907 4.120 0.009 0.000 0.252 605 V C 2.060 178.137 176.094 -0.027 0.000 1.067 605 V CA 1.924 64.233 62.300 0.015 0.000 1.081 605 V CB -0.653 31.178 31.823 0.013 0.000 0.686 605 V HN 0.386 nan 8.190 nan 0.000 0.468 606 D N 2.520 122.921 120.400 0.001 0.000 2.133 606 D HA -0.293 4.353 4.640 0.009 0.000 0.192 606 D C 1.892 178.285 176.300 0.154 0.000 1.001 606 D CA 2.224 56.263 54.000 0.065 0.000 0.844 606 D CB -0.261 40.600 40.800 0.101 0.000 0.944 606 D HN 0.915 nan 8.370 nan 0.000 0.447 607 E N -1.554 118.704 120.200 0.096 0.000 2.423 607 E HA 0.311 4.667 4.350 0.009 0.000 0.198 607 E C 1.067 177.708 176.600 0.070 0.000 1.038 607 E CA 0.382 56.838 56.400 0.094 0.000 1.011 607 E CB -0.106 29.636 29.700 0.069 0.000 1.118 607 E HN 0.258 nan 8.360 nan 0.000 0.451 608 G N 1.271 110.105 108.800 0.057 0.000 2.176 608 G HA2 -0.279 3.687 3.960 0.009 0.000 0.253 608 G HA3 -0.279 3.687 3.960 0.009 0.000 0.253 608 G C 0.220 175.133 174.900 0.021 0.000 0.979 608 G CA 0.113 45.235 45.100 0.037 0.000 0.641 608 G HN 0.390 nan 8.290 nan 0.000 0.530 609 I N 2.702 123.288 120.570 0.026 0.000 2.379 609 I HA 0.255 4.431 4.170 0.009 0.000 0.290 609 I C -1.885 174.246 176.117 0.023 0.000 1.063 609 I CA -1.963 59.351 61.300 0.022 0.000 1.351 609 I CB 1.050 39.068 38.000 0.030 0.000 1.410 609 I HN -0.086 nan 8.210 nan 0.000 0.505 610 P HA 0.240 nan 4.420 nan 0.000 0.277 610 P C -0.850 176.448 177.300 -0.004 0.000 1.240 610 P CA -0.261 62.842 63.100 0.006 0.000 0.798 610 P CB 1.117 32.819 31.700 0.005 0.000 0.979 611 V N 2.630 122.514 119.914 -0.049 0.000 2.638 611 V HA 0.524 4.650 4.120 0.009 0.000 0.306 611 V C -0.064 175.839 176.094 -0.317 0.000 1.052 611 V CA -0.617 61.602 62.300 -0.135 0.000 0.885 611 V CB 1.927 33.702 31.823 -0.079 0.000 0.999 611 V HN 0.477 nan 8.190 nan 0.000 0.424 612 R N 4.704 125.037 120.500 -0.279 0.000 2.439 612 R HA 0.689 5.034 4.340 0.009 0.000 0.310 612 R C -2.018 174.096 176.300 -0.311 0.000 0.955 612 R CA -0.571 55.328 56.100 -0.335 0.000 0.853 612 R CB 1.465 31.584 30.300 -0.301 0.000 1.171 612 R HN 0.724 nan 8.270 nan 0.000 0.449 613 L N 3.296 124.278 121.223 -0.402 0.000 2.333 613 L HA 0.493 4.839 4.340 0.009 0.000 0.280 613 L C -1.201 175.598 176.870 -0.118 0.000 1.004 613 L CA -0.446 54.241 54.840 -0.255 0.000 0.820 613 L CB 2.111 43.968 42.059 -0.337 0.000 1.247 613 L HN 0.734 nan 8.230 nan 0.000 0.416 614 S N 2.979 118.695 115.700 0.027 0.000 2.614 614 S HA 0.943 5.418 4.470 0.009 0.000 0.288 614 S C -0.616 174.061 174.600 0.130 0.000 1.137 614 S CA -0.013 58.291 58.200 0.174 0.000 0.992 614 S CB 1.696 65.063 63.200 0.277 0.000 1.026 614 S HN 1.016 nan 8.310 nan 0.000 0.486 615 G N 2.548 111.413 108.800 0.108 0.000 2.340 615 G HA2 0.280 4.245 3.960 0.009 0.000 0.298 615 G HA3 0.280 4.245 3.960 0.009 0.000 0.298 615 G C -1.690 173.198 174.900 -0.020 0.000 1.498 615 G CA -0.868 44.190 45.100 -0.071 0.000 0.847 615 G HN 0.688 nan 8.290 nan 0.000 0.594 616 E N 0.656 120.821 120.200 -0.059 0.000 2.415 616 E HA 0.275 4.631 4.350 0.009 0.000 0.260 616 E C -0.057 176.488 176.600 -0.092 0.000 1.016 616 E CA 0.378 56.750 56.400 -0.046 0.000 0.924 616 E CB 0.217 29.890 29.700 -0.044 0.000 0.961 616 E HN 0.437 nan 8.360 nan 0.000 0.459 617 D N 2.749 123.105 120.400 -0.073 0.000 2.945 617 D HA -0.177 4.469 4.640 0.009 0.000 0.225 617 D C 0.374 176.592 176.300 -0.137 0.000 1.158 617 D CA 1.106 55.035 54.000 -0.119 0.000 0.805 617 D CB -1.237 39.447 40.800 -0.195 0.000 1.098 617 D HN 0.315 nan 8.370 nan 0.000 0.426 618 S N -1.061 114.586 115.700 -0.088 0.000 2.461 618 S HA 0.025 4.501 4.470 0.009 0.000 0.228 618 S C 2.141 176.691 174.600 -0.083 0.000 1.005 618 S CA 0.837 58.987 58.200 -0.085 0.000 0.942 618 S CB 0.211 63.374 63.200 -0.062 0.000 0.776 618 S HN 0.579 nan 8.310 nan 0.000 0.514 619 G N 2.339 111.095 108.800 -0.073 0.000 2.476 619 G HA2 -0.266 3.700 3.960 0.009 0.000 0.218 619 G HA3 -0.266 3.700 3.960 0.009 0.000 0.218 619 G C 1.397 176.231 174.900 -0.109 0.000 1.164 619 G CA 1.004 46.066 45.100 -0.064 0.000 0.768 619 G HN 0.514 nan 8.290 nan 0.000 0.560 620 R N 0.305 120.695 120.500 -0.184 0.000 2.195 620 R HA 0.351 4.697 4.340 0.009 0.000 0.197 620 R C 0.667 176.654 176.300 -0.521 0.000 0.990 620 R CA 1.149 57.023 56.100 -0.377 0.000 1.048 620 R CB 0.104 30.215 30.300 -0.316 0.000 0.997 620 R HN 0.794 nan 8.270 nan 0.000 0.502 621 G N 0.822 109.392 108.800 -0.384 0.000 3.355 621 G HA2 -0.172 3.794 3.960 0.009 0.000 0.686 621 G HA3 -0.172 3.794 3.960 0.009 0.000 0.686 621 G C 0.180 174.807 174.900 -0.455 0.000 1.097 621 G CA -0.168 44.758 45.100 -0.290 0.000 0.881 621 G HN 0.063 nan 8.290 nan 0.000 0.550 622 T N 1.902 116.200 114.554 -0.427 0.000 2.684 622 T HA -0.230 4.126 4.350 0.009 0.000 0.267 622 T C 1.726 175.966 174.700 -0.766 0.000 1.032 622 T CA 2.694 64.379 62.100 -0.692 0.000 1.155 622 T CB -0.234 68.051 68.868 -0.972 0.000 0.857 622 T HN 0.526 nan 8.240 nan 0.000 0.457 623 F N -0.749 119.170 119.950 -0.051 0.000 2.641 623 F HA 0.452 4.984 4.527 0.010 0.000 0.302 623 F C 0.167 176.160 175.800 0.322 0.000 1.098 623 F CA -1.095 56.990 58.000 0.142 0.000 1.318 623 F CB -0.551 38.467 39.000 0.030 0.000 1.035 623 F HN -0.055 nan 8.300 nan 0.000 0.551 624 F N -0.136 119.896 119.950 0.136 0.000 3.018 624 F HA -0.313 4.219 4.527 0.010 0.000 0.287 624 F C 1.905 177.810 175.800 0.175 0.000 0.813 624 F CA 0.888 58.937 58.000 0.082 0.000 1.209 624 F CB -1.950 37.171 39.000 0.201 0.000 1.321 624 F HN 0.430 nan 8.300 nan 0.000 0.477 625 H N -0.468 118.702 119.070 0.167 0.000 2.582 625 H HA 0.226 4.788 4.556 0.010 0.000 0.269 625 H C 2.178 177.612 175.328 0.176 0.000 0.962 625 H CA 1.098 57.271 56.048 0.209 0.000 1.230 625 H CB -0.079 29.793 29.762 0.183 0.000 1.445 625 H HN 0.525 nan 8.280 nan 0.000 0.528 626 R N -0.030 120.045 120.500 -0.709 0.000 2.062 626 R HA -0.027 4.319 4.340 0.009 0.000 0.218 626 R C 0.326 176.555 176.300 -0.118 0.000 1.161 626 R CA 0.740 56.516 56.100 -0.541 0.000 0.994 626 R CB 0.036 30.020 30.300 -0.526 0.000 0.888 626 R HN 0.265 nan 8.270 nan 0.000 0.442 627 H N -0.928 118.125 119.070 -0.029 0.000 2.655 627 H HA -0.182 4.379 4.556 0.009 0.000 0.313 627 H C 0.731 176.137 175.328 0.129 0.000 1.141 627 H CA 0.584 56.691 56.048 0.098 0.000 1.138 627 H CB -1.463 28.430 29.762 0.219 0.000 1.446 627 H HN 0.518 nan 8.280 nan 0.000 0.415 628 A N -0.099 122.779 122.820 0.096 0.000 2.015 628 A HA 0.133 4.459 4.320 0.009 0.000 0.219 628 A C 1.388 179.002 177.584 0.050 0.000 1.163 628 A CA 1.170 53.252 52.037 0.076 0.000 0.646 628 A CB 0.604 19.659 19.000 0.093 0.000 0.806 628 A HN 0.126 nan 8.150 nan 0.000 0.448 629 V N 0.683 120.609 119.914 0.020 0.000 2.495 629 V HA 0.410 4.536 4.120 0.009 0.000 0.298 629 V C -0.607 175.412 176.094 -0.126 0.000 1.031 629 V CA -0.423 61.824 62.300 -0.089 0.000 0.871 629 V CB 1.599 33.322 31.823 -0.166 0.000 0.988 629 V HN 0.336 nan 8.190 nan 0.000 0.432 630 I N 4.521 125.008 120.570 -0.139 0.000 2.354 630 I HA 0.410 4.586 4.170 0.009 0.000 0.292 630 I C -0.332 175.673 176.117 -0.186 0.000 0.989 630 I CA -0.609 60.628 61.300 -0.105 0.000 1.188 630 I CB 1.162 39.126 38.000 -0.060 0.000 1.342 630 I HN 0.547 nan 8.210 nan 0.000 0.457 631 H N 4.955 124.065 119.070 0.068 0.000 2.705 631 H HA 0.139 4.700 4.556 0.009 0.000 0.291 631 H C -0.256 175.091 175.328 0.032 0.000 1.085 631 H CA -0.492 55.589 56.048 0.055 0.000 1.357 631 H CB 0.882 30.681 29.762 0.061 0.000 1.419 631 H HN 0.432 nan 8.280 nan 0.000 0.462 632 N N 3.136 121.901 118.700 0.108 0.000 2.406 632 N HA -0.061 4.685 4.740 0.009 0.000 0.265 632 N C 0.845 176.389 175.510 0.056 0.000 1.203 632 N CA 0.270 53.349 53.050 0.048 0.000 0.945 632 N CB 0.567 39.066 38.487 0.021 0.000 1.165 632 N HN 0.573 nan 8.380 nan 0.000 0.485 633 Q N 2.154 121.978 119.800 0.040 0.000 2.500 633 Q HA -0.066 4.279 4.340 0.009 0.000 0.213 633 Q C 1.398 177.410 176.000 0.021 0.000 0.974 633 Q CA 1.165 56.990 55.803 0.036 0.000 0.918 633 Q CB 0.095 28.849 28.738 0.026 0.000 0.980 633 Q HN 0.839 nan 8.270 nan 0.000 0.505 634 S N 0.747 116.454 115.700 0.012 0.000 2.384 634 S HA -0.072 4.403 4.470 0.009 0.000 0.217 634 S C 1.747 176.354 174.600 0.012 0.000 1.041 634 S CA 0.948 59.151 58.200 0.005 0.000 0.948 634 S CB -0.708 62.487 63.200 -0.008 0.000 0.872 634 S HN 0.468 nan 8.310 nan 0.000 0.512 635 N N 0.543 119.253 118.700 0.016 0.000 2.398 635 N HA 0.385 5.130 4.740 0.009 0.000 0.188 635 N C 1.655 177.186 175.510 0.034 0.000 1.122 635 N CA 0.864 53.927 53.050 0.021 0.000 0.866 635 N CB -0.622 37.877 38.487 0.020 0.000 0.970 635 N HN 1.469 nan 8.380 nan 0.000 0.462 636 G N -0.332 108.494 108.800 0.042 0.000 2.180 636 G HA2 -0.247 3.718 3.960 0.009 0.000 0.263 636 G HA3 -0.247 3.718 3.960 0.009 0.000 0.263 636 G C 0.548 175.498 174.900 0.083 0.000 0.989 636 G CA 1.282 46.416 45.100 0.056 0.000 0.692 636 G HN 1.534 nan 8.290 nan 0.000 0.526 637 S N -1.063 114.686 115.700 0.083 0.000 2.745 637 S HA 0.882 5.357 4.470 0.009 0.000 0.292 637 S C 0.132 174.800 174.600 0.113 0.000 1.127 637 S CA 0.363 58.618 58.200 0.092 0.000 1.007 637 S CB 2.038 65.278 63.200 0.067 0.000 1.165 637 S HN 1.509 nan 8.310 nan 0.000 0.544 638 T N -1.943 112.665 114.554 0.090 0.000 2.916 638 T HA 0.654 5.010 4.350 0.009 0.000 0.292 638 T C -1.522 173.237 174.700 0.099 0.000 1.055 638 T CA -0.646 61.477 62.100 0.038 0.000 1.009 638 T CB 1.324 70.165 68.868 -0.045 0.000 1.118 638 T HN 0.779 nan 8.240 nan 0.000 0.497 639 Y N 0.371 120.619 120.300 -0.087 0.000 2.421 639 Y HA 0.562 5.118 4.550 0.009 0.000 0.339 639 Y C -1.081 174.792 175.900 -0.045 0.000 0.996 639 Y CA -0.573 57.491 58.100 -0.059 0.000 1.046 639 Y CB 2.300 40.690 38.460 -0.116 0.000 1.226 639 Y HN 0.898 nan 8.280 nan 0.000 0.445 640 T N 8.708 122.980 114.554 -0.470 0.000 2.977 640 T HA 0.238 4.593 4.350 0.009 0.000 0.346 640 T C -2.336 172.111 174.700 -0.421 0.000 1.140 640 T CA -1.368 60.539 62.100 -0.321 0.000 1.040 640 T CB 1.374 70.159 68.868 -0.139 0.000 1.046 640 T HN 0.450 nan 8.240 nan 0.000 0.494 641 P HA -0.005 nan 4.420 nan 0.000 0.216 641 P C 1.509 178.727 177.300 -0.137 0.000 1.150 641 P CA 0.664 63.641 63.100 -0.204 0.000 0.837 641 P CB 0.086 31.823 31.700 0.063 0.000 0.786 642 L N -0.916 120.149 121.223 -0.264 0.000 2.349 642 L HA -0.183 4.162 4.340 0.009 0.000 0.220 642 L C 2.025 178.745 176.870 -0.250 0.000 1.130 642 L CA 1.329 55.947 54.840 -0.370 0.000 0.791 642 L CB -0.832 40.665 42.059 -0.938 0.000 0.918 642 L HN 0.064 nan 8.230 nan 0.000 0.444 643 Q N -1.356 118.304 119.800 -0.232 0.000 2.365 643 Q HA -0.007 4.339 4.340 0.009 0.000 0.203 643 Q C 0.003 175.653 176.000 -0.582 0.000 0.929 643 Q CA 0.326 55.922 55.803 -0.345 0.000 0.948 643 Q CB 0.273 28.776 28.738 -0.391 0.000 1.043 643 Q HN 0.569 nan 8.270 nan 0.000 0.505 644 H N -1.351 117.638 119.070 -0.134 0.000 2.767 644 H HA 0.237 4.799 4.556 0.009 0.000 0.235 644 H C 0.608 175.924 175.328 -0.020 0.000 1.256 644 H CA -0.134 55.878 56.048 -0.060 0.000 0.957 644 H CB 0.510 30.251 29.762 -0.036 0.000 2.117 644 H HN 0.091 nan 8.280 nan 0.000 0.602 645 I N -0.040 120.526 120.570 -0.007 0.000 2.385 645 I HA 0.001 4.176 4.170 0.009 0.000 0.244 645 I C 0.325 176.494 176.117 0.088 0.000 1.089 645 I CA 0.727 62.034 61.300 0.011 0.000 1.410 645 I CB 0.317 38.275 38.000 -0.070 0.000 1.117 645 I HN 0.430 nan 8.210 nan 0.000 0.429 646 H N -1.559 117.527 119.070 0.026 0.000 3.043 646 H HA 0.268 4.830 4.556 0.009 0.000 0.317 646 H C -0.786 174.549 175.328 0.012 0.000 1.321 646 H CA -1.517 54.547 56.048 0.027 0.000 1.243 646 H CB -0.034 29.743 29.762 0.026 0.000 1.924 646 H HN 0.004 nan 8.280 nan 0.000 0.527 647 N N 0.723 119.570 118.700 0.245 0.000 2.407 647 N HA 0.322 5.067 4.740 0.009 0.000 0.250 647 N C 1.386 177.048 175.510 0.254 0.000 1.236 647 N CA 2.149 55.293 53.050 0.158 0.000 0.879 647 N CB 0.262 38.813 38.487 0.106 0.000 1.088 647 N HN 1.421 nan 8.380 nan 0.000 0.450 648 G N 1.214 110.080 108.800 0.110 0.000 2.176 648 G HA2 -0.304 3.662 3.960 0.009 0.000 0.253 648 G HA3 -0.304 3.662 3.960 0.009 0.000 0.253 648 G C -0.086 174.858 174.900 0.074 0.000 0.979 648 G CA 0.537 45.705 45.100 0.114 0.000 0.641 648 G HN 0.949 nan 8.290 nan 0.000 0.530 649 Q N 0.317 120.038 119.800 -0.132 0.000 2.454 649 Q HA 0.520 4.866 4.340 0.009 0.000 0.247 649 Q C 0.944 176.885 176.000 -0.098 0.000 1.028 649 Q CA -0.311 55.333 55.803 -0.265 0.000 0.910 649 Q CB 0.423 28.875 28.738 -0.478 0.000 1.276 649 Q HN 0.904 nan 8.270 nan 0.000 0.489 650 G N 0.375 109.139 108.800 -0.061 0.000 2.321 650 G HA2 0.269 4.234 3.960 0.009 0.000 0.237 650 G HA3 0.269 4.234 3.960 0.009 0.000 0.237 650 G C -0.104 174.778 174.900 -0.029 0.000 1.282 650 G CA -0.095 44.990 45.100 -0.026 0.000 0.886 650 G HN 0.847 nan 8.290 nan 0.000 0.528 651 A N 2.106 124.912 122.820 -0.023 0.000 2.546 651 A HA 0.404 4.729 4.320 0.009 0.000 0.243 651 A C -0.311 177.269 177.584 -0.007 0.000 1.063 651 A CA 0.018 52.038 52.037 -0.028 0.000 0.757 651 A CB 0.030 19.014 19.000 -0.026 0.000 0.991 651 A HN 0.940 nan 8.150 nan 0.000 0.503 652 F N 3.879 123.732 119.950 -0.161 0.000 2.444 652 F HA 0.656 5.189 4.527 0.009 0.000 0.342 652 F C 0.231 175.868 175.800 -0.272 0.000 1.121 652 F CA -0.630 57.249 58.000 -0.202 0.000 0.997 652 F CB 1.215 40.099 39.000 -0.194 0.000 1.130 652 F HN 0.584 nan 8.300 nan 0.000 0.454 653 R N 6.301 126.092 120.500 -1.182 0.000 2.538 653 R HA 0.564 4.910 4.340 0.009 0.000 0.292 653 R C -1.764 173.697 176.300 -1.399 0.000 1.008 653 R CA -1.044 54.377 56.100 -1.132 0.000 0.896 653 R CB 1.912 31.790 30.300 -0.704 0.000 1.187 653 R HN 0.502 nan 8.270 nan 0.000 0.440 654 V N -0.158 119.015 119.914 -1.235 0.000 2.459 654 V HA 0.632 4.758 4.120 0.009 0.000 0.295 654 V C -0.802 174.786 176.094 -0.844 0.000 1.029 654 V CA -1.104 60.698 62.300 -0.829 0.000 0.874 654 V CB 1.150 32.746 31.823 -0.378 0.000 0.985 654 V HN 0.672 nan 8.190 nan 0.000 0.438 655 W N 0.949 122.136 121.300 -0.189 0.000 2.702 655 W HA 0.644 5.310 4.660 0.009 0.000 0.331 655 W C -0.788 175.719 176.519 -0.020 0.000 1.049 655 W CA -0.474 56.800 57.345 -0.118 0.000 1.230 655 W CB 1.724 31.044 29.460 -0.235 0.000 1.408 655 W HN 0.453 nan 8.180 nan 0.000 0.492 656 D N 1.971 122.533 120.400 0.270 0.000 2.373 656 D HA 0.280 4.925 4.640 0.009 0.000 0.227 656 D C 0.115 176.529 176.300 0.190 0.000 1.091 656 D CA -0.063 54.037 54.000 0.167 0.000 0.840 656 D CB 1.113 41.976 40.800 0.104 0.000 1.060 656 D HN 0.102 nan 8.370 nan 0.000 0.502 661 E N 1.910 122.121 120.200 0.019 0.000 2.077 661 E HA -0.188 4.168 4.350 0.009 0.000 0.193 661 E C 1.820 178.395 176.600 -0.042 0.000 0.989 661 E CA 1.213 57.658 56.400 0.074 0.000 0.800 661 E CB 0.091 29.896 29.700 0.174 0.000 0.746 661 E HN 0.721 nan 8.360 nan 0.000 0.452 662 E N -0.220 119.958 120.200 -0.037 0.000 2.077 662 E HA -0.201 4.154 4.350 0.009 0.000 0.193 662 E C 1.864 178.409 176.600 -0.091 0.000 0.989 662 E CA 0.994 57.354 56.400 -0.067 0.000 0.800 662 E CB -0.062 29.623 29.700 -0.024 0.000 0.746 662 E HN 0.274 nan 8.360 nan 0.000 0.452 663 A N 0.386 123.163 122.820 -0.071 0.000 1.929 663 A HA -0.068 4.257 4.320 0.009 0.000 0.216 663 A C 2.368 179.919 177.584 -0.054 0.000 1.176 663 A CA 0.991 52.996 52.037 -0.053 0.000 0.628 663 A CB -0.470 18.499 19.000 -0.052 0.000 0.816 663 A HN 0.203 nan 8.150 nan 0.000 0.444 664 V N -0.136 119.705 119.914 -0.121 0.000 2.255 664 V HA -0.243 3.883 4.120 0.009 0.000 0.247 664 V C 2.484 178.493 176.094 -0.141 0.000 1.051 664 V CA 2.041 64.275 62.300 -0.110 0.000 1.018 664 V CB -0.771 31.019 31.823 -0.055 0.000 0.641 664 V HN 0.569 nan 8.190 nan 0.000 0.445 665 L N 0.759 121.712 121.223 -0.449 0.000 2.079 665 L HA -0.129 4.216 4.340 0.009 0.000 0.210 665 L C 2.433 179.179 176.870 -0.207 0.000 1.081 665 L CA 2.379 56.848 54.840 -0.618 0.000 0.752 665 L CB -1.093 40.481 42.059 -0.808 0.000 0.896 665 L HN 0.264 nan 8.230 nan 0.000 0.433 666 A N -1.357 121.381 122.820 -0.136 0.000 1.933 666 A HA -0.258 4.067 4.320 0.009 0.000 0.218 666 A C 2.298 179.911 177.584 0.048 0.000 1.175 666 A CA 1.765 53.736 52.037 -0.110 0.000 0.628 666 A CB -1.049 17.865 19.000 -0.143 0.000 0.814 666 A HN 0.546 nan 8.150 nan 0.000 0.444 667 F N 0.669 120.600 119.950 -0.032 0.000 2.128 667 F HA -0.118 4.415 4.527 0.009 0.000 0.295 667 F C 2.275 178.139 175.800 0.107 0.000 1.100 667 F CA 1.821 59.856 58.000 0.058 0.000 1.260 667 F CB 0.030 39.105 39.000 0.124 0.000 1.009 667 F HN 0.162 nan 8.300 nan 0.000 0.476 668 E N -0.028 120.417 120.200 0.407 0.000 2.085 668 E HA -0.281 4.074 4.350 0.009 0.000 0.194 668 E C 1.928 178.644 176.600 0.193 0.000 0.994 668 E CA 1.570 58.144 56.400 0.290 0.000 0.801 668 E CB -1.184 28.660 29.700 0.238 0.000 0.743 668 E HN 0.661 nan 8.360 nan 0.000 0.453 669 Y N 1.299 121.615 120.300 0.027 0.000 2.128 669 Y HA -0.158 4.397 4.550 0.009 0.000 0.284 669 Y C 2.348 178.248 175.900 0.001 0.000 1.154 669 Y CA 2.102 60.208 58.100 0.011 0.000 1.149 669 Y CB -0.671 37.754 38.460 -0.059 0.000 0.976 669 Y HN 0.037 nan 8.280 nan 0.000 0.505 670 G N -1.141 107.597 108.800 -0.102 0.000 2.422 670 G HA2 -0.358 3.607 3.960 0.009 0.000 0.218 670 G HA3 -0.358 3.607 3.960 0.009 0.000 0.218 670 G C 1.606 176.371 174.900 -0.225 0.000 1.146 670 G CA 1.012 45.971 45.100 -0.236 0.000 0.769 670 G HN 0.609 nan 8.290 nan 0.000 0.547 671 Y N 1.635 121.760 120.300 -0.291 0.000 2.200 671 Y HA 0.090 4.645 4.550 0.009 0.000 0.290 671 Y C 2.940 178.762 175.900 -0.130 0.000 1.137 671 Y CA 1.439 59.397 58.100 -0.237 0.000 1.163 671 Y CB -0.077 38.272 38.460 -0.187 0.000 0.988 671 Y HN 0.244 nan 8.280 nan 0.000 0.518 672 A N -0.566 122.339 122.820 0.141 0.000 1.969 672 A HA -0.178 4.148 4.320 0.009 0.000 0.218 672 A C 2.156 179.787 177.584 0.079 0.000 1.169 672 A CA 2.036 54.138 52.037 0.108 0.000 0.635 672 A CB -1.397 17.669 19.000 0.109 0.000 0.810 672 A HN 0.580 nan 8.150 nan 0.000 0.445 673 T N -2.705 111.775 114.554 -0.124 0.000 3.035 673 T HA 0.256 4.611 4.350 0.009 0.000 0.268 673 T C 1.629 176.441 174.700 0.186 0.000 1.109 673 T CA 1.195 63.235 62.100 -0.100 0.000 1.119 673 T CB -0.133 68.486 68.868 -0.415 0.000 0.900 673 T HN 0.469 nan 8.240 nan 0.000 0.503 674 A N 0.800 123.659 122.820 0.065 0.000 2.044 674 A HA 0.355 4.681 4.320 0.009 0.000 0.213 674 A C 1.219 178.804 177.584 0.000 0.000 1.169 674 A CA 0.348 52.411 52.037 0.045 0.000 0.724 674 A CB 0.048 18.940 19.000 -0.179 0.000 0.840 674 A HN 0.442 nan 8.150 nan 0.000 0.463 675 E N -0.357 119.787 120.200 -0.094 0.000 2.731 675 E HA 0.319 4.674 4.350 0.009 0.000 0.248 675 E C -2.490 173.902 176.600 -0.347 0.000 1.084 675 E CA -1.996 54.242 56.400 -0.269 0.000 0.776 675 E CB 1.464 30.978 29.700 -0.310 0.000 1.404 675 E HN 0.114 nan 8.360 nan 0.000 0.395 676 P HA 0.077 nan 4.420 nan 0.000 0.240 676 P C 0.638 177.501 177.300 -0.729 0.000 1.190 676 P CA 0.253 62.731 63.100 -1.037 0.000 0.781 676 P CB 0.380 30.673 31.700 -2.345 0.000 0.931 677 R N -0.929 119.295 120.500 -0.460 0.000 2.240 677 R HA 0.132 4.478 4.340 0.009 0.000 0.203 677 R C 0.474 176.708 176.300 -0.110 0.000 1.011 677 R CA 0.656 56.634 56.100 -0.205 0.000 1.007 677 R CB -0.253 29.977 30.300 -0.116 0.000 0.911 677 R HN 0.099 nan 8.270 nan 0.000 0.468 678 T N 1.268 115.764 114.554 -0.097 0.000 2.829 678 T HA 0.241 4.597 4.350 0.009 0.000 0.282 678 T C -0.782 173.918 174.700 0.000 0.000 0.990 678 T CA -0.572 61.522 62.100 -0.010 0.000 1.028 678 T CB 1.569 70.483 68.868 0.077 0.000 0.951 678 T HN -0.081 nan 8.240 nan 0.000 0.460 679 L N 4.400 125.627 121.223 0.006 0.000 2.325 679 L HA 0.362 4.707 4.340 0.009 0.000 0.284 679 L C -0.040 176.835 176.870 0.007 0.000 1.089 679 L CA 0.452 55.301 54.840 0.015 0.000 0.836 679 L CB 0.101 42.179 42.059 0.032 0.000 1.184 679 L HN 0.568 nan 8.230 nan 0.000 0.444 680 T N 7.130 121.708 114.554 0.039 0.000 2.756 680 T HA 0.566 4.921 4.350 0.009 0.000 0.290 680 T C -0.125 174.616 174.700 0.069 0.000 0.985 680 T CA -0.162 61.958 62.100 0.033 0.000 0.955 680 T CB 0.430 69.360 68.868 0.103 0.000 0.930 680 T HN 0.392 nan 8.240 nan 0.000 0.451 681 I N 2.846 123.444 120.570 0.047 0.000 2.418 681 I HA 0.404 4.580 4.170 0.009 0.000 0.287 681 I C -0.937 175.288 176.117 0.181 0.000 1.008 681 I CA -0.930 60.436 61.300 0.109 0.000 1.104 681 I CB 1.802 39.841 38.000 0.066 0.000 1.264 681 I HN 0.638 nan 8.210 nan 0.000 0.438 682 W N 7.133 128.475 121.300 0.070 0.000 2.433 682 W HA 0.427 5.093 4.660 0.009 0.000 0.315 682 W C -0.450 176.127 176.519 0.097 0.000 1.087 682 W CA -0.395 57.004 57.345 0.091 0.000 1.205 682 W CB 1.201 30.732 29.460 0.118 0.000 1.288 682 W HN 0.464 nan 8.180 nan 0.000 0.504 683 E N 4.735 124.483 120.200 -0.755 0.000 2.185 683 E HA 0.571 4.927 4.350 0.009 0.000 0.261 683 E C -0.602 175.302 176.600 -1.160 0.000 0.879 683 E CA -0.688 55.282 56.400 -0.717 0.000 0.756 683 E CB 1.195 30.718 29.700 -0.295 0.000 1.152 683 E HN 0.564 nan 8.360 nan 0.000 0.416 684 A N 3.672 125.820 122.820 -1.121 0.000 2.386 684 A HA 0.018 4.344 4.320 0.009 0.000 0.248 684 A C 1.025 178.472 177.584 -0.228 0.000 1.082 684 A CA -0.017 51.623 52.037 -0.663 0.000 0.789 684 A CB 0.925 19.798 19.000 -0.211 0.000 1.025 684 A HN 0.935 nan 8.150 nan 0.000 0.490 685 Q N -0.065 119.731 119.800 -0.006 0.000 2.016 685 Q HA -0.044 4.302 4.340 0.009 0.000 0.200 685 Q C -0.810 175.180 176.000 -0.016 0.000 0.978 685 Q CA 1.231 57.050 55.803 0.027 0.000 0.833 685 Q CB -0.002 28.859 28.738 0.205 0.000 0.895 685 Q HN 0.681 nan 8.270 nan 0.000 0.427 686 F N -2.422 117.709 119.950 0.300 0.000 2.588 686 F HA 0.403 4.935 4.527 0.009 0.000 0.314 686 F C 1.024 176.865 175.800 0.068 0.000 1.069 686 F CA -0.478 57.618 58.000 0.161 0.000 0.931 686 F CB 1.483 40.469 39.000 -0.022 0.000 1.260 686 F HN 0.001 nan 8.300 nan 0.000 0.465 687 G N 0.288 109.219 108.800 0.218 0.000 2.462 687 G HA2 -0.241 3.725 3.960 0.009 0.000 0.220 687 G HA3 -0.241 3.725 3.960 0.009 0.000 0.220 687 G C 0.832 175.819 174.900 0.145 0.000 1.121 687 G CA 1.051 46.267 45.100 0.193 0.000 0.758 687 G HN 0.711 nan 8.290 nan 0.000 0.559 688 D N 0.148 120.519 120.400 -0.048 0.000 2.265 688 D HA -0.093 4.552 4.640 0.009 0.000 0.208 688 D C 1.705 177.868 176.300 -0.228 0.000 0.977 688 D CA 0.695 54.549 54.000 -0.243 0.000 0.871 688 D CB -0.293 40.154 40.800 -0.590 0.000 0.925 688 D HN 0.533 nan 8.370 nan 0.000 0.485 689 F N 0.327 120.361 119.950 0.140 0.000 2.664 689 F HA 0.256 4.789 4.527 0.010 0.000 0.296 689 F C 2.374 178.296 175.800 0.203 0.000 1.125 689 F CA -0.094 57.990 58.000 0.141 0.000 1.444 689 F CB 0.039 39.128 39.000 0.148 0.000 1.114 689 F HN -0.078 nan 8.300 nan 0.000 0.576 690 A N 1.354 124.422 122.820 0.413 0.000 2.125 690 A HA -0.237 4.089 4.320 0.009 0.000 0.219 690 A C 1.992 179.735 177.584 0.265 0.000 1.156 690 A CA 1.760 54.059 52.037 0.437 0.000 0.671 690 A CB -0.871 18.444 19.000 0.525 0.000 0.794 690 A HN 0.516 nan 8.150 nan 0.000 0.459 691 N N 0.589 119.409 118.700 0.200 0.000 2.381 691 N HA -0.066 4.680 4.740 0.009 0.000 0.182 691 N C 1.541 177.113 175.510 0.103 0.000 1.025 691 N CA 1.480 54.598 53.050 0.112 0.000 0.888 691 N CB -1.457 37.074 38.487 0.073 0.000 0.965 691 N HN 0.267 nan 8.380 nan 0.000 0.438 692 G N -0.179 108.709 108.800 0.147 0.000 2.549 692 G HA2 -0.100 3.866 3.960 0.009 0.000 0.222 692 G HA3 -0.100 3.866 3.960 0.009 0.000 0.222 692 G C 0.981 175.922 174.900 0.068 0.000 1.100 692 G CA 0.979 46.148 45.100 0.115 0.000 0.739 692 G HN 0.689 nan 8.290 nan 0.000 0.577 693 A N -0.774 122.082 122.820 0.060 0.000 2.676 693 A HA 0.519 4.844 4.320 0.009 0.000 0.297 693 A C 1.539 179.117 177.584 -0.010 0.000 1.132 693 A CA 0.389 52.423 52.037 -0.004 0.000 0.972 693 A CB 0.223 19.174 19.000 -0.081 0.000 1.197 693 A HN 0.192 nan 8.150 nan 0.000 0.524 694 Q N -0.246 119.556 119.800 0.004 0.000 2.181 694 Q HA -0.122 4.223 4.340 0.009 0.000 0.205 694 Q C 1.678 177.647 176.000 -0.052 0.000 0.980 694 Q CA 2.366 58.156 55.803 -0.022 0.000 0.862 694 Q CB -0.421 28.305 28.738 -0.020 0.000 0.905 694 Q HN 0.403 nan 8.270 nan 0.000 0.429 695 V N -0.927 118.955 119.914 -0.054 0.000 2.358 695 V HA -0.219 3.907 4.120 0.009 0.000 0.246 695 V C 2.175 178.238 176.094 -0.051 0.000 1.047 695 V CA 1.503 63.733 62.300 -0.117 0.000 1.035 695 V CB -0.470 31.293 31.823 -0.101 0.000 0.658 695 V HN 0.222 nan 8.190 nan 0.000 0.452 696 V N -0.060 119.851 119.914 -0.005 0.000 2.332 696 V HA -0.281 3.844 4.120 0.009 0.000 0.248 696 V C 2.169 178.259 176.094 -0.007 0.000 1.055 696 V CA 2.257 64.567 62.300 0.017 0.000 1.038 696 V CB -0.552 31.194 31.823 -0.128 0.000 0.651 696 V HN 0.442 nan 8.190 nan 0.000 0.450 697 I N 0.118 120.672 120.570 -0.027 0.000 2.179 697 I HA -0.218 3.957 4.170 0.009 0.000 0.242 697 I C 2.245 178.331 176.117 -0.052 0.000 1.088 697 I CA 1.676 62.972 61.300 -0.006 0.000 1.357 697 I CB -0.416 37.598 38.000 0.024 0.000 1.051 697 I HN 0.301 nan 8.210 nan 0.000 0.409 698 D N -0.033 120.311 120.400 -0.093 0.000 2.149 698 D HA -0.155 4.490 4.640 0.009 0.000 0.201 698 D C 2.126 178.310 176.300 -0.194 0.000 0.972 698 D CA 1.181 55.099 54.000 -0.136 0.000 0.835 698 D CB -0.048 40.667 40.800 -0.141 0.000 0.966 698 D HN 0.254 nan 8.370 nan 0.000 0.476 699 Q N -1.798 117.864 119.800 -0.230 0.000 2.350 699 Q HA 0.256 4.602 4.340 0.009 0.000 0.225 699 Q C 0.796 176.442 176.000 -0.589 0.000 0.878 699 Q CA 0.159 55.722 55.803 -0.401 0.000 0.935 699 Q CB 0.582 29.036 28.738 -0.473 0.000 1.099 699 Q HN 0.208 nan 8.270 nan 0.000 0.527 700 F N -1.793 117.988 119.950 -0.281 0.000 2.362 700 F HA 0.250 4.783 4.527 0.010 0.000 0.264 700 F C 1.528 177.093 175.800 -0.392 0.000 0.905 700 F CA -0.169 57.596 58.000 -0.391 0.000 1.142 700 F CB -0.032 38.501 39.000 -0.780 0.000 1.250 700 F HN -0.143 nan 8.300 nan 0.000 0.771 701 I N 0.399 120.877 120.570 -0.153 0.000 2.226 701 I HA -0.274 3.901 4.170 0.009 0.000 0.245 701 I C 2.332 178.472 176.117 0.040 0.000 1.100 701 I CA 1.925 63.229 61.300 0.007 0.000 1.374 701 I CB -0.402 37.635 38.000 0.060 0.000 1.057 701 I HN 0.255 nan 8.210 nan 0.000 0.413 702 S N -0.964 114.719 115.700 -0.028 0.000 2.478 702 S HA -0.006 4.470 4.470 0.009 0.000 0.222 702 S C 1.634 176.178 174.600 -0.094 0.000 1.008 702 S CA 0.594 58.775 58.200 -0.031 0.000 0.928 702 S CB -0.001 63.175 63.200 -0.041 0.000 0.781 702 S HN 0.465 nan 8.310 nan 0.000 0.518 703 S N -0.650 114.939 115.700 -0.186 0.000 2.733 703 S HA 0.418 4.893 4.470 0.009 0.000 0.247 703 S C 1.743 176.069 174.600 -0.457 0.000 1.043 703 S CA 0.187 58.210 58.200 -0.296 0.000 1.066 703 S CB -0.201 62.786 63.200 -0.354 0.000 1.045 703 S HN 0.485 nan 8.310 nan 0.000 0.586 704 G N 2.273 110.845 108.800 -0.381 0.000 2.408 704 G HA2 -0.162 3.804 3.960 0.009 0.000 0.217 704 G HA3 -0.162 3.804 3.960 0.009 0.000 0.217 704 G C 1.217 175.973 174.900 -0.241 0.000 1.150 704 G CA 0.941 45.787 45.100 -0.423 0.000 0.776 704 G HN 0.618 nan 8.290 nan 0.000 0.542 705 E N -0.351 119.774 120.200 -0.126 0.000 2.077 705 E HA -0.177 4.178 4.350 0.009 0.000 0.193 705 E C 2.450 178.976 176.600 -0.123 0.000 0.989 705 E CA 0.976 57.326 56.400 -0.084 0.000 0.800 705 E CB -0.041 29.643 29.700 -0.027 0.000 0.746 705 E HN 0.281 nan 8.360 nan 0.000 0.452 706 Q N 0.314 120.012 119.800 -0.169 0.000 2.187 706 Q HA -0.050 4.296 4.340 0.009 0.000 0.199 706 Q C 1.912 177.782 176.000 -0.216 0.000 0.957 706 Q CA 1.062 56.771 55.803 -0.156 0.000 0.857 706 Q CB 0.057 28.707 28.738 -0.146 0.000 0.929 706 Q HN 0.188 nan 8.270 nan 0.000 0.453 707 K N -1.389 118.763 120.400 -0.414 0.000 2.167 707 K HA -0.076 4.250 4.320 0.009 0.000 0.203 707 K C 1.040 177.501 176.600 -0.233 0.000 1.052 707 K CA 0.888 56.854 56.287 -0.534 0.000 0.956 707 K CB 0.321 32.064 32.500 -1.262 0.000 0.735 707 K HN 0.203 nan 8.250 nan 0.000 0.451 708 W N -1.574 119.602 121.300 -0.208 0.000 1.952 708 W HA 0.335 5.001 4.660 0.010 0.000 0.236 708 W C 0.563 176.799 176.519 -0.470 0.000 0.880 708 W CA 0.246 57.316 57.345 -0.459 0.000 1.095 708 W CB -0.160 28.819 29.460 -0.801 0.000 0.933 708 W HN 0.160 nan 8.180 nan 0.000 0.553 709 G N 2.103 110.849 108.800 -0.089 0.000 2.160 709 G HA2 -0.276 3.690 3.960 0.009 0.000 0.251 709 G HA3 -0.276 3.690 3.960 0.009 0.000 0.251 709 G C 0.232 175.041 174.900 -0.152 0.000 1.008 709 G CA -0.203 44.839 45.100 -0.096 0.000 0.724 709 G HN 0.014 nan 8.290 nan 0.000 0.514 710 R N 0.011 120.425 120.500 -0.143 0.000 2.198 710 R HA 0.442 4.787 4.340 0.009 0.000 0.339 710 R C 0.619 176.808 176.300 -0.185 0.000 1.020 710 R CA -0.465 55.516 56.100 -0.198 0.000 0.864 710 R CB 0.683 30.970 30.300 -0.022 0.000 1.105 710 R HN 0.217 nan 8.270 nan 0.000 0.463 711 M N 1.197 120.564 119.600 -0.388 0.000 2.283 711 M HA 0.287 4.773 4.480 0.009 0.000 0.314 711 M C 0.381 176.540 176.300 -0.236 0.000 1.153 711 M CA -0.881 54.272 55.300 -0.245 0.000 1.084 711 M CB 0.786 33.289 32.600 -0.162 0.000 1.468 711 M HN 0.635 nan 8.290 nan 0.000 0.474 712 C N 0.089 119.415 119.300 0.043 0.000 3.097 712 C HA 0.567 5.032 4.460 0.009 0.000 0.422 712 C C 0.673 175.766 174.990 0.172 0.000 0.999 712 C CA -0.512 58.575 59.018 0.115 0.000 1.235 712 C CB 0.402 28.204 27.740 0.103 0.000 1.615 712 C HN 1.050 nan 8.230 nan 0.000 0.553 713 G N 4.072 112.981 108.800 0.181 0.000 3.448 713 G HA2 0.351 4.316 3.960 0.009 0.000 0.261 713 G HA3 0.351 4.316 3.960 0.009 0.000 0.261 713 G C 0.256 175.225 174.900 0.116 0.000 1.173 713 G CA -0.046 45.130 45.100 0.128 0.000 0.835 713 G HN 0.915 nan 8.290 nan 0.000 0.534 714 L N 1.503 122.813 121.223 0.146 0.000 2.578 714 L HA 0.240 4.586 4.340 0.009 0.000 0.279 714 L C 0.034 176.993 176.870 0.149 0.000 1.227 714 L CA 0.181 55.117 54.840 0.161 0.000 0.900 714 L CB 0.813 42.999 42.059 0.211 0.000 1.144 714 L HN -0.087 nan 8.230 nan 0.000 0.496 715 V N 7.119 127.121 119.914 0.146 0.000 2.439 715 V HA 0.388 4.513 4.120 0.009 0.000 0.282 715 V C 0.335 176.550 176.094 0.201 0.000 1.039 715 V CA -0.448 61.936 62.300 0.140 0.000 0.913 715 V CB 1.370 33.261 31.823 0.114 0.000 0.983 715 V HN 0.779 nan 8.190 nan 0.000 0.460 716 M N 5.833 125.545 119.600 0.186 0.000 2.072 716 M HA 0.485 4.971 4.480 0.009 0.000 0.331 716 M C -0.978 175.400 176.300 0.130 0.000 1.004 716 M CA -0.233 55.220 55.300 0.255 0.000 0.952 716 M CB 1.310 34.069 32.600 0.264 0.000 1.511 716 M HN 0.419 nan 8.290 nan 0.000 0.422 717 L N 5.462 126.735 121.223 0.084 0.000 2.283 717 L HA 0.413 4.759 4.340 0.009 0.000 0.287 717 L C -0.703 176.147 176.870 -0.034 0.000 1.073 717 L CA -0.218 54.637 54.840 0.026 0.000 0.822 717 L CB 0.153 42.231 42.059 0.033 0.000 1.186 717 L HN 0.631 nan 8.230 nan 0.000 0.436 718 L N 6.081 127.304 121.223 0.000 0.000 2.337 718 L HA 0.405 4.750 4.340 0.009 0.000 0.269 718 L C -2.305 174.594 176.870 0.048 0.000 1.018 718 L CA -1.946 52.910 54.840 0.027 0.000 0.876 718 L CB 1.339 43.417 42.059 0.033 0.000 1.236 718 L HN 0.295 nan 8.230 nan 0.000 0.436 719 P HA 0.065 nan 4.420 nan 0.000 0.267 719 P C -1.063 176.300 177.300 0.105 0.000 1.205 719 P CA 0.308 63.402 63.100 -0.010 0.000 0.765 719 P CB 0.395 32.054 31.700 -0.068 0.000 0.828 720 H N 1.550 120.590 119.070 -0.050 0.000 3.042 720 H HA 0.675 5.236 4.556 0.009 0.000 0.345 720 H C -0.879 174.449 175.328 0.001 0.000 1.052 720 H CA -0.455 55.603 56.048 0.018 0.000 1.311 720 H CB 1.166 30.966 29.762 0.062 0.000 1.810 720 H HN 0.604 nan 8.280 nan 0.000 0.505 721 G N 3.246 111.783 108.800 -0.438 0.000 2.270 721 G HA2 0.157 4.123 3.960 0.009 0.000 0.295 721 G HA3 0.157 4.123 3.960 0.009 0.000 0.295 721 G C -2.041 172.751 174.900 -0.179 0.000 1.732 721 G CA -0.986 43.955 45.100 -0.265 0.000 0.909 721 G HN 0.349 nan 8.290 nan 0.000 0.730 722 Y N 1.339 121.551 120.300 -0.147 0.000 2.624 722 Y HA 0.363 4.919 4.550 0.010 0.000 0.354 722 Y C 1.410 177.284 175.900 -0.044 0.000 1.051 722 Y CA 0.052 58.115 58.100 -0.062 0.000 1.377 722 Y CB 1.025 39.535 38.460 0.084 0.000 1.168 722 Y HN 0.670 nan 8.280 nan 0.000 0.525 723 E N 1.358 121.418 120.200 -0.233 0.000 2.676 723 E HA 0.242 4.598 4.350 0.009 0.000 0.222 723 E C 1.281 177.575 176.600 -0.510 0.000 0.968 723 E CA 0.298 56.581 56.400 -0.194 0.000 1.090 723 E CB 0.902 30.558 29.700 -0.074 0.000 1.066 723 E HN 0.866 nan 8.360 nan 0.000 0.496 724 G N 1.956 110.161 108.800 -0.992 0.000 2.141 724 G HA2 -0.320 3.646 3.960 0.009 0.000 0.231 724 G HA3 -0.320 3.646 3.960 0.009 0.000 0.231 724 G C 0.608 175.352 174.900 -0.260 0.000 0.984 724 G CA 0.031 44.720 45.100 -0.686 0.000 0.660 724 G HN 0.277 nan 8.290 nan 0.000 0.525 725 Q N 0.045 119.707 119.800 -0.229 0.000 2.222 725 Q HA 0.455 4.801 4.340 0.009 0.000 0.206 725 Q C 1.249 177.177 176.000 -0.121 0.000 0.877 725 Q CA 0.352 56.071 55.803 -0.140 0.000 0.958 725 Q CB 0.699 29.374 28.738 -0.104 0.000 1.075 725 Q HN 1.677 nan 8.270 nan 0.000 0.483 726 G N 1.794 110.504 108.800 -0.149 0.000 2.661 726 G HA2 -0.182 3.784 3.960 0.009 0.000 0.685 726 G HA3 -0.182 3.784 3.960 0.009 0.000 0.685 726 G C -2.393 172.423 174.900 -0.140 0.000 1.298 726 G CA -0.729 44.300 45.100 -0.119 0.000 0.855 726 G HN -0.046 nan 8.290 nan 0.000 0.560 727 P HA -0.045 nan 4.420 nan 0.000 0.220 727 P C 0.844 178.027 177.300 -0.194 0.000 1.144 727 P CA 1.703 64.726 63.100 -0.128 0.000 0.800 727 P CB 0.129 31.780 31.700 -0.081 0.000 0.772 728 E N -2.398 117.652 120.200 -0.249 0.000 2.548 728 E HA 0.082 4.437 4.350 0.009 0.000 0.206 728 E C -0.062 175.951 176.600 -0.977 0.000 1.005 728 E CA 0.087 56.161 56.400 -0.544 0.000 0.951 728 E CB -0.018 29.367 29.700 -0.525 0.000 1.035 728 E HN 0.410 nan 8.360 nan 0.000 0.470 729 H N -1.847 116.966 119.070 -0.429 0.000 2.637 729 H HA 0.381 4.942 4.556 0.009 0.000 0.245 729 H C 0.349 175.535 175.328 -0.238 0.000 1.190 729 H CA 0.016 55.781 56.048 -0.471 0.000 0.934 729 H CB 0.921 30.334 29.762 -0.581 0.000 1.950 729 H HN -0.055 nan 8.280 nan 0.000 0.614 730 S N -1.251 114.287 115.700 -0.271 0.000 3.019 730 S HA 0.137 4.613 4.470 0.009 0.000 0.258 730 S C 0.359 174.650 174.600 -0.516 0.000 1.082 730 S CA -0.148 57.745 58.200 -0.511 0.000 0.836 730 S CB 1.034 63.745 63.200 -0.815 0.000 0.834 730 S HN 0.163 nan 8.310 nan 0.000 0.457 731 S N 0.878 116.431 115.700 -0.246 0.000 2.647 731 S HA 0.677 5.152 4.470 0.009 0.000 0.300 731 S C 0.196 174.956 174.600 0.266 0.000 1.129 731 S CA -0.329 57.924 58.200 0.088 0.000 1.029 731 S CB 1.436 64.716 63.200 0.134 0.000 1.007 731 S HN 0.356 nan 8.310 nan 0.000 0.484 732 A N 4.194 127.369 122.820 0.591 0.000 2.238 732 A HA 0.305 4.631 4.320 0.009 0.000 0.208 732 A C 0.906 178.674 177.584 0.306 0.000 1.177 732 A CA 0.139 52.374 52.037 0.331 0.000 0.804 732 A CB -0.429 18.709 19.000 0.230 0.000 0.823 732 A HN 1.007 nan 8.150 nan 0.000 0.482 733 R N -2.244 118.425 120.500 0.282 0.000 3.332 733 R HA -0.187 4.159 4.340 0.009 0.000 0.263 733 R C 0.719 177.164 176.300 0.242 0.000 1.053 733 R CA 0.534 56.765 56.100 0.218 0.000 0.705 733 R CB -2.453 27.919 30.300 0.119 0.000 1.166 733 R HN 0.495 nan 8.270 nan 0.000 0.427 734 L N 2.207 123.546 121.223 0.193 0.000 2.064 734 L HA -0.274 4.071 4.340 0.009 0.000 0.216 734 L C 2.611 179.610 176.870 0.216 0.000 1.077 734 L CA 2.676 57.621 54.840 0.176 0.000 0.766 734 L CB -0.323 41.766 42.059 0.051 0.000 0.890 734 L HN 0.474 nan 8.230 nan 0.000 0.435 735 E N -0.081 120.227 120.200 0.180 0.000 2.204 735 E HA -0.310 4.046 4.350 0.009 0.000 0.195 735 E C 2.273 178.915 176.600 0.070 0.000 0.990 735 E CA 1.583 58.067 56.400 0.140 0.000 0.821 735 E CB -0.655 29.138 29.700 0.154 0.000 0.750 735 E HN 0.688 nan 8.360 nan 0.000 0.477 736 R N -0.295 120.215 120.500 0.017 0.000 2.090 736 R HA -0.074 4.271 4.340 0.009 0.000 0.228 736 R C 2.093 178.274 176.300 -0.198 0.000 1.110 736 R CA 1.000 57.026 56.100 -0.123 0.000 0.973 736 R CB -0.223 29.943 30.300 -0.223 0.000 0.869 736 R HN 0.174 nan 8.270 nan 0.000 0.440 737 Y N 0.084 120.391 120.300 0.012 0.000 2.242 737 Y HA -0.202 4.353 4.550 0.009 0.000 0.291 737 Y C 2.057 177.931 175.900 -0.043 0.000 1.137 737 Y CA 0.495 58.591 58.100 -0.007 0.000 1.181 737 Y CB -0.090 38.380 38.460 0.016 0.000 0.989 737 Y HN 0.064 nan 8.280 nan 0.000 0.527 738 L N 0.579 121.870 121.223 0.114 0.000 2.017 738 L HA -0.246 4.099 4.340 0.009 0.000 0.208 738 L C 2.567 179.398 176.870 -0.066 0.000 1.073 738 L CA 1.934 56.789 54.840 0.024 0.000 0.745 738 L CB -1.546 40.550 42.059 0.061 0.000 0.894 738 L HN 0.432 nan 8.230 nan 0.000 0.432 739 Q N -0.780 118.992 119.800 -0.048 0.000 2.291 739 Q HA -0.172 4.174 4.340 0.009 0.000 0.205 739 Q C 1.962 177.895 176.000 -0.112 0.000 0.970 739 Q CA 1.241 56.996 55.803 -0.080 0.000 0.876 739 Q CB -0.153 28.550 28.738 -0.059 0.000 0.935 739 Q HN 0.495 nan 8.270 nan 0.000 0.455 740 L N 0.585 121.743 121.223 -0.110 0.000 2.492 740 L HA 0.081 4.426 4.340 0.009 0.000 0.223 740 L C 0.670 177.446 176.870 -0.157 0.000 1.132 740 L CA -0.524 54.248 54.840 -0.114 0.000 0.850 740 L CB 0.195 42.203 42.059 -0.085 0.000 0.966 740 L HN 0.240 nan 8.230 nan 0.000 0.454 741 C N 1.403 120.547 119.300 -0.261 0.000 2.585 741 C HA 0.641 5.107 4.460 0.009 0.000 0.406 741 C C 0.733 175.434 174.990 -0.481 0.000 1.312 741 C CA -0.519 58.172 59.018 -0.544 0.000 1.924 741 C CB -0.560 26.500 27.740 -1.133 0.000 2.578 741 C HN 0.478 nan 8.230 nan 0.000 0.580 742 A N 2.697 125.362 122.820 -0.258 0.000 2.590 742 A HA 0.637 4.962 4.320 0.009 0.000 0.294 742 A C -0.100 177.565 177.584 0.135 0.000 1.046 742 A CA -0.510 51.525 52.037 -0.003 0.000 0.684 742 A CB 0.298 19.271 19.000 -0.045 0.000 1.279 742 A HN 0.862 nan 8.150 nan 0.000 0.415 743 E N 1.410 121.723 120.200 0.187 0.000 2.440 743 E HA -0.267 4.088 4.350 0.009 0.000 0.246 743 E C -0.327 176.386 176.600 0.188 0.000 1.165 743 E CA 0.674 57.163 56.400 0.148 0.000 0.726 743 E CB -1.099 28.643 29.700 0.069 0.000 1.271 743 E HN 0.870 nan 8.360 nan 0.000 0.397 744 Q N -2.225 117.761 119.800 0.310 0.000 2.480 744 Q HA -0.266 4.080 4.340 0.009 0.000 0.265 744 Q C 0.969 177.116 176.000 0.245 0.000 1.072 744 Q CA 1.660 57.625 55.803 0.270 0.000 1.018 744 Q CB -2.323 26.521 28.738 0.177 0.000 1.433 744 Q HN 0.769 nan 8.270 nan 0.000 0.513 745 N N -0.474 118.362 118.700 0.228 0.000 2.188 745 N HA -0.106 4.640 4.740 0.009 0.000 0.184 745 N C 0.795 176.394 175.510 0.148 0.000 1.018 745 N CA 1.310 54.439 53.050 0.132 0.000 0.858 745 N CB 0.093 38.611 38.487 0.052 0.000 0.989 745 N HN 0.469 nan 8.380 nan 0.000 0.426 746 M N -0.785 118.939 119.600 0.206 0.000 2.667 746 M HA 0.305 4.791 4.480 0.009 0.000 0.286 746 M C -1.328 175.105 176.300 0.221 0.000 1.270 746 M CA -0.716 54.689 55.300 0.174 0.000 0.826 746 M CB 2.895 35.570 32.600 0.125 0.000 1.743 746 M HN -0.118 nan 8.290 nan 0.000 0.460 747 Q N 0.821 120.697 119.800 0.126 0.000 2.342 747 Q HA 0.715 5.061 4.340 0.009 0.000 0.267 747 Q C -1.416 174.624 176.000 0.068 0.000 1.038 747 Q CA -0.951 54.896 55.803 0.072 0.000 0.832 747 Q CB 2.855 31.581 28.738 -0.021 0.000 1.323 747 Q HN 0.402 nan 8.270 nan 0.000 0.448 748 V N 1.690 121.652 119.914 0.081 0.000 2.443 748 V HA 0.410 4.536 4.120 0.009 0.000 0.293 748 V C -0.754 175.378 176.094 0.064 0.000 1.021 748 V CA -0.663 61.675 62.300 0.063 0.000 0.848 748 V CB 1.386 33.274 31.823 0.107 0.000 0.998 748 V HN 0.917 nan 8.190 nan 0.000 0.424 749 C N 4.239 123.573 119.300 0.057 0.000 2.507 749 C HA 0.713 5.179 4.460 0.009 0.000 0.319 749 C C 0.275 175.352 174.990 0.145 0.000 1.208 749 C CA -0.626 58.462 59.018 0.115 0.000 1.619 749 C CB 1.882 29.685 27.740 0.104 0.000 2.230 749 C HN 0.632 nan 8.230 nan 0.000 0.492 750 V N 4.552 124.582 119.914 0.194 0.000 2.260 750 V HA 0.258 4.384 4.120 0.009 0.000 0.263 750 V C -2.128 174.115 176.094 0.249 0.000 1.036 750 V CA -0.984 61.441 62.300 0.207 0.000 0.874 750 V CB 0.497 32.444 31.823 0.206 0.000 1.116 750 V HN 0.749 nan 8.190 nan 0.000 0.454 751 P HA 0.180 nan 4.420 nan 0.000 0.275 751 P C 0.557 178.126 177.300 0.450 0.000 1.227 751 P CA 0.032 63.347 63.100 0.359 0.000 0.781 751 P CB 1.634 33.578 31.700 0.408 0.000 0.906 752 S N 0.404 116.296 115.700 0.319 0.000 2.578 752 S HA 0.227 4.703 4.470 0.009 0.000 0.231 752 S C 0.335 175.227 174.600 0.488 0.000 0.994 752 S CA -0.080 58.350 58.200 0.384 0.000 0.956 752 S CB -0.213 63.065 63.200 0.130 0.000 0.870 752 S HN 0.460 nan 8.310 nan 0.000 0.494 753 T N 2.516 117.241 114.554 0.286 0.000 2.923 753 T HA 0.449 4.805 4.350 0.009 0.000 0.311 753 T C -2.563 171.854 174.700 -0.471 0.000 1.183 753 T CA -1.219 60.928 62.100 0.077 0.000 1.020 753 T CB 2.058 70.949 68.868 0.037 0.000 1.165 753 T HN -0.289 nan 8.240 nan 0.000 0.482 754 P HA -0.150 nan 4.420 nan 0.000 0.215 754 P C 1.417 178.462 177.300 -0.424 0.000 1.157 754 P CA 1.481 64.227 63.100 -0.590 0.000 0.874 754 P CB 0.054 31.643 31.700 -0.184 0.000 0.790 755 A N -0.357 122.320 122.820 -0.237 0.000 1.865 755 A HA -0.285 4.041 4.320 0.009 0.000 0.217 755 A C 2.305 179.870 177.584 -0.033 0.000 1.191 755 A CA 1.736 53.674 52.037 -0.164 0.000 0.623 755 A CB -1.455 17.529 19.000 -0.026 0.000 0.826 755 A HN 0.133 nan 8.150 nan 0.000 0.444 756 Q N -0.710 119.072 119.800 -0.029 0.000 2.096 756 Q HA -0.137 4.208 4.340 0.009 0.000 0.204 756 Q C 2.266 178.327 176.000 0.101 0.000 0.982 756 Q CA 1.625 57.480 55.803 0.087 0.000 0.850 756 Q CB -0.953 27.800 28.738 0.025 0.000 0.901 756 Q HN 0.500 nan 8.270 nan 0.000 0.422 757 V N 0.378 120.153 119.914 -0.231 0.000 2.515 757 V HA -0.241 3.884 4.120 0.009 0.000 0.250 757 V C 2.092 178.111 176.094 -0.126 0.000 1.058 757 V CA 1.659 63.833 62.300 -0.210 0.000 1.064 757 V CB -0.474 31.004 31.823 -0.576 0.000 0.675 757 V HN 0.413 nan 8.190 nan 0.000 0.461 758 Y N 0.100 120.208 120.300 -0.320 0.000 2.163 758 Y HA -0.215 4.340 4.550 0.009 0.000 0.288 758 Y C 2.592 178.364 175.900 -0.213 0.000 1.136 758 Y CA 2.293 60.189 58.100 -0.341 0.000 1.147 758 Y CB -0.328 37.832 38.460 -0.500 0.000 0.987 758 Y HN 0.442 nan 8.280 nan 0.000 0.509 759 H N -0.363 118.778 119.070 0.118 0.000 2.363 759 H HA -0.150 4.412 4.556 0.010 0.000 0.301 759 H C 2.391 177.753 175.328 0.058 0.000 1.074 759 H CA 1.626 57.754 56.048 0.132 0.000 1.354 759 H CB -0.513 29.459 29.762 0.350 0.000 1.397 759 H HN 0.445 nan 8.280 nan 0.000 0.516 760 M N 0.465 120.187 119.600 0.203 0.000 2.082 760 M HA -0.193 4.293 4.480 0.009 0.000 0.258 760 M C 1.954 178.131 176.300 -0.205 0.000 1.069 760 M CA 1.616 56.789 55.300 -0.211 0.000 1.102 760 M CB -0.099 32.427 32.600 -0.124 0.000 1.336 760 M HN 0.160 nan 8.290 nan 0.000 0.404 761 L N -0.983 120.161 121.223 -0.131 0.000 2.072 761 L HA -0.163 4.182 4.340 0.009 0.000 0.205 761 L C 2.540 179.324 176.870 -0.144 0.000 1.079 761 L CA 1.025 55.803 54.840 -0.103 0.000 0.752 761 L CB -0.560 41.460 42.059 -0.066 0.000 0.906 761 L HN 0.272 nan 8.230 nan 0.000 0.436 762 R N -0.249 120.121 120.500 -0.218 0.000 2.081 762 R HA -0.179 4.167 4.340 0.009 0.000 0.235 762 R C 2.407 178.565 176.300 -0.237 0.000 1.131 762 R CA 1.369 57.352 56.100 -0.194 0.000 0.960 762 R CB -0.343 29.813 30.300 -0.241 0.000 0.856 762 R HN 0.242 nan 8.270 nan 0.000 0.436 763 R N 0.882 121.125 120.500 -0.428 0.000 2.094 763 R HA -0.278 4.068 4.340 0.009 0.000 0.239 763 R C 2.335 178.341 176.300 -0.490 0.000 1.137 763 R CA 2.191 57.741 56.100 -0.917 0.000 0.943 763 R CB -0.200 29.598 30.300 -0.837 0.000 0.850 763 R HN 0.084 nan 8.270 nan 0.000 0.433 764 Q N 0.058 119.678 119.800 -0.300 0.000 2.112 764 Q HA -0.156 4.189 4.340 0.009 0.000 0.206 764 Q C 1.783 177.717 176.000 -0.110 0.000 0.987 764 Q CA 2.472 58.176 55.803 -0.164 0.000 0.858 764 Q CB -0.339 28.337 28.738 -0.103 0.000 0.905 764 Q HN 0.490 nan 8.270 nan 0.000 0.420 765 A N -0.762 121.997 122.820 -0.101 0.000 1.929 765 A HA 0.008 4.334 4.320 0.009 0.000 0.216 765 A C 1.931 179.491 177.584 -0.039 0.000 1.176 765 A CA 1.158 53.165 52.037 -0.049 0.000 0.628 765 A CB -0.295 18.693 19.000 -0.020 0.000 0.816 765 A HN 0.421 nan 8.150 nan 0.000 0.444 766 L N -1.277 119.899 121.223 -0.077 0.000 2.463 766 L HA 0.146 4.492 4.340 0.009 0.000 0.219 766 L C 1.297 178.169 176.870 0.002 0.000 1.088 766 L CA -0.172 54.668 54.840 -0.000 0.000 0.849 766 L CB -0.092 42.029 42.059 0.103 0.000 1.012 766 L HN 0.189 nan 8.230 nan 0.000 0.468 767 R N -0.207 120.239 120.500 -0.090 0.000 2.774 767 R HA 0.077 4.423 4.340 0.009 0.000 0.269 767 R C 1.308 177.547 176.300 -0.101 0.000 1.068 767 R CA 0.464 56.523 56.100 -0.067 0.000 1.180 767 R CB 0.354 30.596 30.300 -0.096 0.000 1.077 767 R HN 0.076 nan 8.270 nan 0.000 0.513 768 G N 1.101 109.733 108.800 -0.280 0.000 2.551 768 G HA2 -0.106 3.859 3.960 0.009 0.000 0.216 768 G HA3 -0.106 3.859 3.960 0.009 0.000 0.216 768 G C 0.657 175.328 174.900 -0.382 0.000 1.137 768 G CA -0.260 44.472 45.100 -0.613 0.000 0.798 768 G HN 0.428 nan 8.290 nan 0.000 0.536 769 M N 1.580 121.096 119.600 -0.140 0.000 2.251 769 M HA 0.142 4.628 4.480 0.009 0.000 0.343 769 M C -0.220 176.174 176.300 0.156 0.000 1.245 769 M CA 0.457 55.837 55.300 0.133 0.000 1.061 769 M CB 0.404 33.104 32.600 0.167 0.000 1.723 769 M HN -0.089 nan 8.290 nan 0.000 0.449 770 R N 5.783 126.426 120.500 0.240 0.000 2.443 770 R HA 0.453 4.799 4.340 0.009 0.000 0.287 770 R C -1.238 175.183 176.300 0.201 0.000 1.425 770 R CA -0.262 55.975 56.100 0.229 0.000 1.300 770 R CB 0.865 31.386 30.300 0.368 0.000 1.129 770 R HN 0.785 nan 8.270 nan 0.000 0.577 771 R N 1.273 121.866 120.500 0.154 0.000 2.808 771 R HA 0.483 4.828 4.340 0.009 0.000 0.272 771 R C -2.705 173.670 176.300 0.125 0.000 0.995 771 R CA -2.229 53.955 56.100 0.141 0.000 0.917 771 R CB 2.165 32.549 30.300 0.141 0.000 1.217 771 R HN 0.111 nan 8.270 nan 0.000 0.471 772 P HA -0.006 nan 4.420 nan 0.000 0.268 772 P C -1.174 176.181 177.300 0.093 0.000 1.205 772 P CA -0.183 62.995 63.100 0.129 0.000 0.771 772 P CB 0.493 32.281 31.700 0.148 0.000 0.858 773 L N 5.138 126.406 121.223 0.075 0.000 2.316 773 L HA 0.394 4.739 4.340 0.009 0.000 0.280 773 L C -1.176 175.710 176.870 0.027 0.000 1.006 773 L CA -0.407 54.454 54.840 0.035 0.000 0.836 773 L CB 1.327 43.391 42.059 0.009 0.000 1.221 773 L HN 0.017 nan 8.230 nan 0.000 0.418 774 V N 6.248 126.155 119.914 -0.013 0.000 2.333 774 V HA 0.421 4.547 4.120 0.009 0.000 0.274 774 V C -0.211 175.834 176.094 -0.081 0.000 1.028 774 V CA -0.586 61.652 62.300 -0.102 0.000 0.851 774 V CB 1.446 33.117 31.823 -0.254 0.000 1.000 774 V HN 0.520 nan 8.190 nan 0.000 0.456 775 V N 6.044 125.932 119.914 -0.043 0.000 2.370 775 V HA 0.362 4.488 4.120 0.009 0.000 0.283 775 V C 0.384 176.475 176.094 -0.005 0.000 1.023 775 V CA -0.742 61.567 62.300 0.015 0.000 0.857 775 V CB 1.546 33.416 31.823 0.078 0.000 0.985 775 V HN 0.731 nan 8.190 nan 0.000 0.443 776 M N 3.570 123.173 119.600 0.005 0.000 2.628 776 M HA 0.159 4.645 4.480 0.009 0.000 0.326 776 M C 0.479 176.834 176.300 0.092 0.000 1.613 776 M CA 0.762 56.081 55.300 0.031 0.000 1.387 776 M CB -0.432 32.177 32.600 0.015 0.000 1.761 776 M HN 0.599 nan 8.290 nan 0.000 0.459 777 S N 5.644 121.372 115.700 0.047 0.000 2.554 777 S HA 0.595 5.070 4.470 0.009 0.000 0.278 777 S C -2.041 172.435 174.600 -0.208 0.000 1.242 777 S CA -1.073 57.102 58.200 -0.041 0.000 1.051 777 S CB 1.173 64.347 63.200 -0.043 0.000 0.986 777 S HN 0.407 nan 8.310 nan 0.000 0.502 778 P HA 0.408 nan 4.420 nan 0.000 0.279 778 P C -0.371 176.503 177.300 -0.709 0.000 1.252 778 P CA -0.512 62.242 63.100 -0.577 0.000 0.811 778 P CB 1.311 32.492 31.700 -0.865 0.000 1.035 779 K N 0.360 120.375 120.400 -0.642 0.000 2.386 779 K HA 0.029 4.355 4.320 0.009 0.000 0.237 779 K C 2.301 178.591 176.600 -0.516 0.000 1.122 779 K CA 0.939 56.706 56.287 -0.867 0.000 0.838 779 K CB -0.881 31.070 32.500 -0.914 0.000 1.364 779 K HN 0.466 nan 8.250 nan 0.000 0.440 780 S N 2.400 117.915 115.700 -0.309 0.000 2.374 780 S HA -0.168 4.307 4.470 0.009 0.000 0.227 780 S C 2.077 176.586 174.600 -0.152 0.000 1.037 780 S CA 1.205 59.309 58.200 -0.159 0.000 1.024 780 S CB -0.843 62.316 63.200 -0.067 0.000 0.861 780 S HN 0.199 nan 8.310 nan 0.000 0.456 781 L N 0.846 121.929 121.223 -0.233 0.000 2.261 781 L HA -0.044 4.302 4.340 0.009 0.000 0.216 781 L C 2.376 179.124 176.870 -0.203 0.000 1.114 781 L CA 0.924 55.625 54.840 -0.231 0.000 0.777 781 L CB -0.789 41.071 42.059 -0.331 0.000 0.910 781 L HN 0.372 nan 8.230 nan 0.000 0.440 782 L N -0.660 120.373 121.223 -0.316 0.000 2.261 782 L HA -0.216 4.130 4.340 0.009 0.000 0.216 782 L C 2.092 178.980 176.870 0.030 0.000 1.114 782 L CA 1.316 56.052 54.840 -0.174 0.000 0.777 782 L CB -0.359 41.554 42.059 -0.243 0.000 0.910 782 L HN 0.233 nan 8.230 nan 0.000 0.440 783 R N -2.657 117.849 120.500 0.010 0.000 2.549 783 R HA 0.127 4.472 4.340 0.009 0.000 0.344 783 R C 0.262 176.583 176.300 0.035 0.000 0.979 783 R CA -0.245 55.880 56.100 0.042 0.000 1.140 783 R CB 0.407 30.725 30.300 0.030 0.000 1.377 783 R HN 0.133 nan 8.270 nan 0.000 0.541 784 H N 2.728 121.746 119.070 -0.088 0.000 2.848 784 H HA 0.079 4.641 4.556 0.009 0.000 0.317 784 H C -1.596 173.673 175.328 -0.099 0.000 1.046 784 H CA -1.670 54.297 56.048 -0.134 0.000 1.470 784 H CB 1.564 31.160 29.762 -0.277 0.000 1.483 784 H HN -0.043 nan 8.280 nan 0.000 0.548 785 P HA -0.135 nan 4.420 nan 0.000 0.222 785 P C 1.318 178.720 177.300 0.170 0.000 1.147 785 P CA 0.483 63.625 63.100 0.070 0.000 0.790 785 P CB 0.550 32.233 31.700 -0.027 0.000 0.780 786 L N -0.783 120.657 121.223 0.361 0.000 2.529 786 L HA 0.210 4.556 4.340 0.009 0.000 0.223 786 L C 1.563 178.514 176.870 0.135 0.000 1.113 786 L CA 0.301 55.286 54.840 0.243 0.000 0.861 786 L CB -1.076 41.180 42.059 0.329 0.000 1.012 786 L HN -0.172 nan 8.230 nan 0.000 0.461 787 A N 0.385 123.187 122.820 -0.031 0.000 3.126 787 A HA 0.542 4.868 4.320 0.009 0.000 0.268 787 A C -0.137 177.536 177.584 0.149 0.000 1.605 787 A CA -0.114 51.923 52.037 -0.000 0.000 1.305 787 A CB -0.959 17.945 19.000 -0.160 0.000 1.160 787 A HN 0.062 nan 8.150 nan 0.000 0.609 788 V N -2.643 117.363 119.914 0.153 0.000 3.160 788 V HA 0.950 5.076 4.120 0.009 0.000 0.310 788 V C -0.249 175.914 176.094 0.115 0.000 1.181 788 V CA -0.736 61.644 62.300 0.133 0.000 1.047 788 V CB 1.856 33.745 31.823 0.110 0.000 1.068 788 V HN 0.271 nan 8.190 nan 0.000 0.441 789 S N 0.778 116.546 115.700 0.113 0.000 2.536 789 S HA 0.748 5.224 4.470 0.009 0.000 0.271 789 S C -0.405 174.266 174.600 0.117 0.000 1.134 789 S CA -0.247 57.997 58.200 0.073 0.000 0.897 789 S CB 1.871 65.062 63.200 -0.014 0.000 1.094 789 S HN 1.522 nan 8.310 nan 0.000 0.473 790 S N 1.855 117.595 115.700 0.066 0.000 2.646 790 S HA 0.544 5.020 4.470 0.009 0.000 0.276 790 S C 1.198 175.811 174.600 0.022 0.000 1.222 790 S CA -0.843 57.408 58.200 0.085 0.000 1.014 790 S CB 0.324 63.555 63.200 0.051 0.000 0.991 790 S HN 0.617 nan 8.310 nan 0.000 0.533 791 L N 0.554 121.819 121.223 0.070 0.000 2.043 791 L HA -0.156 4.189 4.340 0.009 0.000 0.212 791 L C 2.917 179.746 176.870 -0.068 0.000 1.075 791 L CA 2.132 56.958 54.840 -0.024 0.000 0.752 791 L CB -0.595 41.501 42.059 0.062 0.000 0.891 791 L HN 0.910 nan 8.230 nan 0.000 0.432 792 E N 0.576 120.765 120.200 -0.018 0.000 2.110 792 E HA -0.249 4.107 4.350 0.009 0.000 0.193 792 E C 1.914 178.506 176.600 -0.013 0.000 0.988 792 E CA 1.563 57.956 56.400 -0.012 0.000 0.804 792 E CB -0.029 29.673 29.700 0.003 0.000 0.745 792 E HN 0.449 nan 8.360 nan 0.000 0.458 793 E N -0.267 119.923 120.200 -0.018 0.000 2.204 793 E HA -0.110 4.246 4.350 0.009 0.000 0.194 793 E C 2.047 178.683 176.600 0.060 0.000 0.989 793 E CA 0.952 57.362 56.400 0.017 0.000 0.824 793 E CB -0.024 29.679 29.700 0.006 0.000 0.756 793 E HN 0.339 nan 8.360 nan 0.000 0.477 794 L N 0.020 121.153 121.223 -0.150 0.000 2.102 794 L HA -0.000 4.346 4.340 0.009 0.000 0.202 794 L C 2.529 179.344 176.870 -0.092 0.000 1.076 794 L CA 0.794 55.393 54.840 -0.403 0.000 0.761 794 L CB -0.371 41.136 42.059 -0.920 0.000 0.921 794 L HN 0.126 nan 8.230 nan 0.000 0.444 795 A N -0.044 122.734 122.820 -0.070 0.000 1.929 795 A HA -0.120 4.206 4.320 0.009 0.000 0.216 795 A C 1.777 179.406 177.584 0.074 0.000 1.176 795 A CA 1.496 53.546 52.037 0.021 0.000 0.628 795 A CB -0.231 18.763 19.000 -0.011 0.000 0.816 795 A HN 0.436 nan 8.150 nan 0.000 0.444 796 N N -0.895 117.838 118.700 0.055 0.000 2.171 796 N HA 0.130 4.875 4.740 0.009 0.000 0.212 796 N C 0.849 176.355 175.510 -0.007 0.000 1.184 796 N CA 0.667 53.730 53.050 0.021 0.000 0.888 796 N CB 0.553 39.040 38.487 0.001 0.000 1.038 796 N HN 0.384 nan 8.380 nan 0.000 0.517 797 G N -0.344 108.474 108.800 0.029 0.000 2.535 797 G HA2 0.406 4.372 3.960 0.009 0.000 0.282 797 G HA3 0.406 4.372 3.960 0.009 0.000 0.282 797 G C -0.266 174.347 174.900 -0.479 0.000 1.350 797 G CA 0.195 45.227 45.100 -0.113 0.000 1.039 797 G HN 0.050 nan 8.290 nan 0.000 0.509 798 T N -2.077 112.091 114.554 -0.643 0.000 2.762 798 T HA 0.449 4.805 4.350 0.009 0.000 0.301 798 T C -1.407 173.082 174.700 -0.352 0.000 1.299 798 T CA -0.664 61.040 62.100 -0.660 0.000 1.005 798 T CB 1.041 69.761 68.868 -0.246 0.000 1.377 798 T HN 0.399 nan 8.240 nan 0.000 0.504 799 F N 2.751 122.676 119.950 -0.042 0.000 2.543 799 F HA 0.514 5.046 4.527 0.010 0.000 0.375 799 F C -0.525 175.321 175.800 0.076 0.000 1.075 799 F CA -0.098 57.971 58.000 0.115 0.000 1.225 799 F CB 0.247 39.361 39.000 0.190 0.000 1.099 799 F HN 0.311 nan 8.300 nan 0.000 0.561 800 L N 9.407 130.171 121.223 -0.765 0.000 2.276 800 L HA 0.294 4.640 4.340 0.009 0.000 0.286 800 L C -1.794 174.686 176.870 -0.652 0.000 1.024 800 L CA -1.772 52.776 54.840 -0.486 0.000 0.826 800 L CB 1.252 43.126 42.059 -0.308 0.000 1.211 800 L HN 0.511 nan 8.230 nan 0.000 0.422 801 P HA -0.071 nan 4.420 nan 0.000 0.225 801 P C 0.010 177.230 177.300 -0.133 0.000 1.148 801 P CA 0.686 63.751 63.100 -0.057 0.000 0.779 801 P CB 0.412 32.196 31.700 0.139 0.000 0.780 802 A N -0.865 121.870 122.820 -0.142 0.000 2.549 802 A HA 0.677 5.003 4.320 0.009 0.000 0.297 802 A C -1.258 176.255 177.584 -0.119 0.000 1.061 802 A CA -0.558 51.413 52.037 -0.111 0.000 0.690 802 A CB 1.070 20.031 19.000 -0.065 0.000 1.287 802 A HN -0.125 nan 8.150 nan 0.000 0.402 803 I N 1.864 122.362 120.570 -0.121 0.000 2.465 803 I HA 0.512 4.688 4.170 0.009 0.000 0.291 803 I C 0.959 177.033 176.117 -0.072 0.000 1.014 803 I CA -0.714 60.511 61.300 -0.124 0.000 1.093 803 I CB 2.102 39.981 38.000 -0.201 0.000 1.267 803 I HN 0.812 nan 8.210 nan 0.000 0.431 804 G N 3.112 111.900 108.800 -0.020 0.000 2.621 804 G HA2 0.190 4.156 3.960 0.009 0.000 0.271 804 G HA3 0.190 4.156 3.960 0.009 0.000 0.271 804 G C -0.216 174.725 174.900 0.069 0.000 1.236 804 G CA -0.241 44.892 45.100 0.056 0.000 0.958 804 G HN 0.637 nan 8.290 nan 0.000 0.512 805 E N -0.744 119.553 120.200 0.162 0.000 2.558 805 E HA -0.022 4.333 4.350 0.009 0.000 0.255 805 E C 1.294 177.962 176.600 0.113 0.000 0.968 805 E CA 0.242 56.741 56.400 0.164 0.000 0.939 805 E CB 0.278 30.148 29.700 0.283 0.000 0.921 805 E HN 0.393 nan 8.360 nan 0.000 0.477 806 I N -0.102 120.530 120.570 0.104 0.000 3.941 806 I HA 0.345 4.521 4.170 0.009 0.000 0.321 806 I C -0.091 176.075 176.117 0.080 0.000 1.284 806 I CA -0.334 61.016 61.300 0.082 0.000 1.226 806 I CB 0.368 38.417 38.000 0.083 0.000 1.045 806 I HN 0.141 nan 8.210 nan 0.000 0.420 807 D N 2.371 122.823 120.400 0.087 0.000 2.225 807 D HA 0.135 4.781 4.640 0.009 0.000 0.249 807 D C -0.407 175.952 176.300 0.098 0.000 1.052 807 D CA -0.145 53.904 54.000 0.082 0.000 0.909 807 D CB 1.563 42.402 40.800 0.065 0.000 1.186 807 D HN -0.046 nan 8.370 nan 0.000 0.431 808 E N 0.864 121.120 120.200 0.093 0.000 2.341 808 E HA 0.189 4.545 4.350 0.009 0.000 0.256 808 E C -0.431 176.244 176.600 0.125 0.000 1.125 808 E CA -0.072 56.380 56.400 0.087 0.000 0.939 808 E CB -0.162 29.574 29.700 0.060 0.000 0.991 808 E HN 0.189 nan 8.360 nan 0.000 0.458 809 L N 3.465 124.765 121.223 0.127 0.000 2.470 809 L HA 0.346 4.691 4.340 0.009 0.000 0.268 809 L C -0.828 176.123 176.870 0.135 0.000 0.964 809 L CA -0.583 54.359 54.840 0.170 0.000 0.839 809 L CB 2.432 44.610 42.059 0.198 0.000 1.276 809 L HN 0.350 nan 8.230 nan 0.000 0.403 810 D N 5.738 126.198 120.400 0.100 0.000 2.336 810 D HA 0.259 4.905 4.640 0.009 0.000 0.249 810 D C -1.747 174.637 176.300 0.141 0.000 1.213 810 D CA -1.905 52.142 54.000 0.079 0.000 0.870 810 D CB 1.784 42.600 40.800 0.027 0.000 1.076 810 D HN 0.256 nan 8.370 nan 0.000 0.483 811 P HA -0.220 nan 4.420 nan 0.000 0.217 811 P C 0.967 178.474 177.300 0.345 0.000 1.151 811 P CA 1.442 64.710 63.100 0.281 0.000 0.849 811 P CB 0.121 31.905 31.700 0.139 0.000 0.787 812 K N -2.180 118.319 120.400 0.165 0.000 2.432 812 K HA 0.193 4.518 4.320 0.009 0.000 0.196 812 K C 2.252 178.942 176.600 0.149 0.000 1.038 812 K CA 1.057 57.424 56.287 0.134 0.000 0.986 812 K CB -1.845 30.659 32.500 0.007 0.000 0.782 812 K HN 0.295 nan 8.250 nan 0.000 0.485 813 G N 0.529 109.409 108.800 0.134 0.000 2.712 813 G HA2 0.109 4.074 3.960 0.009 0.000 0.212 813 G HA3 0.109 4.074 3.960 0.009 0.000 0.212 813 G C 0.339 175.301 174.900 0.104 0.000 1.142 813 G CA -0.093 45.069 45.100 0.103 0.000 0.789 813 G HN 0.363 nan 8.290 nan 0.000 0.535 814 V N 1.058 121.058 119.914 0.143 0.000 2.488 814 V HA 0.187 4.313 4.120 0.009 0.000 0.277 814 V C 0.821 176.908 176.094 -0.011 0.000 1.046 814 V CA 0.080 62.412 62.300 0.053 0.000 0.986 814 V CB 1.448 33.312 31.823 0.067 0.000 0.989 814 V HN 0.275 nan 8.190 nan 0.000 0.475 815 K N 3.712 124.071 120.400 -0.068 0.000 2.360 815 K HA 0.272 4.598 4.320 0.009 0.000 0.196 815 K C 0.614 177.124 176.600 -0.150 0.000 1.049 815 K CA -0.091 56.153 56.287 -0.072 0.000 1.049 815 K CB 0.742 33.218 32.500 -0.041 0.000 0.881 815 K HN 0.563 nan 8.250 nan 0.000 0.542 816 R N 0.415 120.767 120.500 -0.247 0.000 2.561 816 R HA 0.260 4.606 4.340 0.009 0.000 0.266 816 R C -2.057 173.933 176.300 -0.515 0.000 1.091 816 R CA -0.448 55.452 56.100 -0.333 0.000 0.927 816 R CB 1.681 31.844 30.300 -0.228 0.000 1.240 816 R HN -0.187 nan 8.270 nan 0.000 0.449 817 V N 4.297 123.765 119.914 -0.742 0.000 2.487 817 V HA 0.542 4.668 4.120 0.009 0.000 0.298 817 V C -0.682 175.090 176.094 -0.536 0.000 1.028 817 V CA -0.779 61.024 62.300 -0.829 0.000 0.860 817 V CB 1.897 32.938 31.823 -1.304 0.000 0.991 817 V HN 0.572 nan 8.190 nan 0.000 0.427 818 V N 6.298 126.000 119.914 -0.354 0.000 2.459 818 V HA 0.544 4.669 4.120 0.009 0.000 0.295 818 V C -0.013 175.986 176.094 -0.158 0.000 1.029 818 V CA -0.368 61.793 62.300 -0.231 0.000 0.874 818 V CB 1.681 33.362 31.823 -0.236 0.000 0.985 818 V HN 0.842 nan 8.190 nan 0.000 0.438 819 M N 5.140 124.689 119.600 -0.086 0.000 2.578 819 M HA 0.829 5.314 4.480 0.009 0.000 0.321 819 M C -0.409 175.710 176.300 -0.303 0.000 1.182 819 M CA -0.392 54.894 55.300 -0.023 0.000 0.965 819 M CB 1.978 34.690 32.600 0.186 0.000 1.694 819 M HN 0.884 nan 8.290 nan 0.000 0.461 820 C N -1.518 117.610 119.300 -0.286 0.000 3.249 820 C HA 0.871 5.337 4.460 0.009 0.000 0.350 820 C C -1.238 173.664 174.990 -0.147 0.000 1.431 820 C CA -0.917 57.716 59.018 -0.641 0.000 1.209 820 C CB 1.544 29.008 27.740 -0.461 0.000 1.546 820 C HN 0.906 nan 8.230 nan 0.000 0.450 821 S N -0.001 115.658 115.700 -0.069 0.000 2.541 821 S HA 0.944 5.419 4.470 0.009 0.000 0.280 821 S C 0.203 174.867 174.600 0.107 0.000 1.112 821 S CA 0.535 58.800 58.200 0.108 0.000 0.925 821 S CB 1.103 64.470 63.200 0.278 0.000 1.067 821 S HN 2.861 nan 8.310 nan 0.000 0.479 822 G N 3.103 111.976 108.800 0.121 0.000 2.542 822 G HA2 -0.269 3.697 3.960 0.009 0.000 0.235 822 G HA3 -0.269 3.697 3.960 0.009 0.000 0.235 822 G C 0.516 175.534 174.900 0.197 0.000 1.286 822 G CA 0.293 45.498 45.100 0.176 0.000 0.904 822 G HN 0.917 nan 8.290 nan 0.000 0.577 823 K N -0.156 120.357 120.400 0.188 0.000 2.209 823 K HA 0.076 4.402 4.320 0.009 0.000 0.204 823 K C 2.315 179.034 176.600 0.197 0.000 1.048 823 K CA 2.197 58.618 56.287 0.224 0.000 0.940 823 K CB -0.401 32.165 32.500 0.111 0.000 0.729 823 K HN 0.615 nan 8.250 nan 0.000 0.451 824 V N 1.027 121.001 119.914 0.098 0.000 2.380 824 V HA -0.317 3.808 4.120 0.009 0.000 0.251 824 V C 2.353 178.437 176.094 -0.017 0.000 1.063 824 V CA 1.887 64.194 62.300 0.010 0.000 1.055 824 V CB -1.211 30.563 31.823 -0.082 0.000 0.657 824 V HN 0.344 nan 8.190 nan 0.000 0.455 825 Y N 0.666 120.890 120.300 -0.127 0.000 2.062 825 Y HA -0.400 4.155 4.550 0.009 0.000 0.276 825 Y C 2.447 178.209 175.900 -0.230 0.000 1.189 825 Y CA 2.457 60.411 58.100 -0.242 0.000 1.130 825 Y CB -0.507 37.727 38.460 -0.375 0.000 0.959 825 Y HN 0.274 nan 8.280 nan 0.000 0.499 826 Y N 0.284 120.469 120.300 -0.192 0.000 2.242 826 Y HA -0.209 4.347 4.550 0.009 0.000 0.291 826 Y C 2.297 178.078 175.900 -0.198 0.000 1.137 826 Y CA 1.261 59.189 58.100 -0.286 0.000 1.181 826 Y CB -0.441 37.855 38.460 -0.273 0.000 0.989 826 Y HN 0.203 nan 8.280 nan 0.000 0.527 827 D N 0.160 120.573 120.400 0.022 0.000 2.097 827 D HA -0.168 4.477 4.640 0.009 0.000 0.195 827 D C 2.194 178.421 176.300 -0.121 0.000 0.989 827 D CA 1.262 55.249 54.000 -0.021 0.000 0.827 827 D CB -0.528 40.258 40.800 -0.024 0.000 0.966 827 D HN 0.274 nan 8.370 nan 0.000 0.456 828 L N 0.036 121.137 121.223 -0.204 0.000 2.046 828 L HA -0.162 4.184 4.340 0.009 0.000 0.208 828 L C 2.378 179.078 176.870 -0.283 0.000 1.077 828 L CA 0.486 55.179 54.840 -0.244 0.000 0.747 828 L CB -0.313 41.582 42.059 -0.273 0.000 0.896 828 L HN 0.081 nan 8.230 nan 0.000 0.432 829 L N -0.207 120.766 121.223 -0.416 0.000 2.005 829 L HA -0.190 4.156 4.340 0.009 0.000 0.207 829 L C 2.426 179.176 176.870 -0.200 0.000 1.072 829 L CA 1.781 56.385 54.840 -0.393 0.000 0.744 829 L CB -0.470 41.219 42.059 -0.617 0.000 0.895 829 L HN 0.186 nan 8.230 nan 0.000 0.433 830 E N -1.038 119.086 120.200 -0.126 0.000 2.110 830 E HA -0.290 4.066 4.350 0.009 0.000 0.193 830 E C 2.126 178.681 176.600 -0.074 0.000 0.988 830 E CA 1.196 57.564 56.400 -0.052 0.000 0.804 830 E CB -0.060 29.650 29.700 0.016 0.000 0.745 830 E HN 0.484 nan 8.360 nan 0.000 0.458 831 Q N 1.193 120.935 119.800 -0.096 0.000 2.046 831 Q HA -0.138 4.208 4.340 0.009 0.000 0.200 831 Q C 1.992 177.925 176.000 -0.112 0.000 0.975 831 Q CA 1.501 57.246 55.803 -0.097 0.000 0.836 831 Q CB -0.118 28.557 28.738 -0.106 0.000 0.896 831 Q HN 0.061 nan 8.270 nan 0.000 0.428 832 R N -0.498 119.918 120.500 -0.141 0.000 2.120 832 R HA -0.095 4.251 4.340 0.009 0.000 0.234 832 R C 2.122 178.330 176.300 -0.153 0.000 1.123 832 R CA 1.341 57.348 56.100 -0.154 0.000 0.975 832 R CB 0.037 30.230 30.300 -0.178 0.000 0.866 832 R HN 0.184 nan 8.270 nan 0.000 0.446 833 R N -0.263 120.159 120.500 -0.128 0.000 2.062 833 R HA -0.074 4.271 4.340 0.009 0.000 0.229 833 R C 2.482 178.731 176.300 -0.086 0.000 1.128 833 R CA 1.420 57.455 56.100 -0.109 0.000 0.960 833 R CB -0.081 30.175 30.300 -0.073 0.000 0.855 833 R HN -0.058 nan 8.270 nan 0.000 0.432 834 K N 0.778 121.136 120.400 -0.069 0.000 2.097 834 K HA -0.174 4.152 4.320 0.009 0.000 0.214 834 K C 1.611 178.174 176.600 -0.063 0.000 1.052 834 K CA 1.989 58.242 56.287 -0.057 0.000 0.932 834 K CB -0.777 31.691 32.500 -0.053 0.000 0.716 834 K HN 0.353 nan 8.250 nan 0.000 0.455 835 N N 0.215 118.867 118.700 -0.081 0.000 2.521 835 N HA -0.007 4.739 4.740 0.009 0.000 0.188 835 N C 0.435 175.894 175.510 -0.086 0.000 1.146 835 N CA 0.538 53.541 53.050 -0.078 0.000 0.893 835 N CB -0.557 37.877 38.487 -0.088 0.000 0.975 835 N HN 0.476 nan 8.380 nan 0.000 0.451 836 N N 0.948 119.582 118.700 -0.110 0.000 2.716 836 N HA -0.240 4.506 4.740 0.009 0.000 0.250 836 N C -1.005 174.372 175.510 -0.221 0.000 1.033 836 N CA 0.428 53.392 53.050 -0.144 0.000 0.727 836 N CB -1.056 37.409 38.487 -0.036 0.000 0.950 836 N HN 0.402 nan 8.380 nan 0.000 0.541 837 Q N -0.579 119.066 119.800 -0.259 0.000 2.286 837 Q HA 0.151 4.496 4.340 0.009 0.000 0.257 837 Q C 0.184 175.968 176.000 -0.360 0.000 0.941 837 Q CA -0.155 55.517 55.803 -0.219 0.000 0.912 837 Q CB 0.532 29.176 28.738 -0.156 0.000 1.192 837 Q HN 0.575 nan 8.270 nan 0.000 0.410 838 H N -0.001 119.053 119.070 -0.028 0.000 2.893 838 H HA 0.023 4.585 4.556 0.009 0.000 0.270 838 H C -0.210 175.107 175.328 -0.018 0.000 1.095 838 H CA 0.012 56.051 56.048 -0.015 0.000 1.186 838 H CB 0.777 30.539 29.762 0.001 0.000 1.562 838 H HN 0.581 nan 8.280 nan 0.000 0.536 839 D N -0.009 120.411 120.400 0.034 0.000 2.462 839 D HA 0.076 4.721 4.640 0.009 0.000 0.221 839 D C -0.307 175.948 176.300 -0.075 0.000 1.173 839 D CA 0.024 54.026 54.000 0.003 0.000 0.831 839 D CB 0.221 41.023 40.800 0.003 0.000 1.001 839 D HN -0.024 nan 8.370 nan 0.000 0.499 840 V N 0.861 120.709 119.914 -0.109 0.000 2.447 840 V HA 0.664 4.789 4.120 0.009 0.000 0.292 840 V C -0.030 175.937 176.094 -0.213 0.000 1.021 840 V CA -1.205 60.984 62.300 -0.186 0.000 0.850 840 V CB 1.308 33.024 31.823 -0.178 0.000 1.005 840 V HN 0.354 nan 8.190 nan 0.000 0.426 841 A N 6.252 128.870 122.820 -0.337 0.000 2.316 841 A HA 0.902 5.227 4.320 0.009 0.000 0.284 841 A C -0.546 176.853 177.584 -0.309 0.000 1.115 841 A CA -0.296 51.527 52.037 -0.357 0.000 0.812 841 A CB 0.457 18.966 19.000 -0.818 0.000 1.064 841 A HN 0.777 nan 8.150 nan 0.000 0.489 842 I N 1.745 122.222 120.570 -0.154 0.000 2.466 842 I HA 0.458 4.634 4.170 0.009 0.000 0.289 842 I C -0.869 175.269 176.117 0.035 0.000 1.026 842 I CA -0.658 60.596 61.300 -0.076 0.000 1.078 842 I CB 2.081 40.060 38.000 -0.035 0.000 1.249 842 I HN 0.306 nan 8.210 nan 0.000 0.429 843 V N 5.927 125.842 119.914 0.002 0.000 2.709 843 V HA 0.500 4.625 4.120 0.009 0.000 0.308 843 V C -0.403 175.674 176.094 -0.029 0.000 1.062 843 V CA -0.709 61.597 62.300 0.009 0.000 0.901 843 V CB 2.494 34.352 31.823 0.058 0.000 1.003 843 V HN 0.621 nan 8.190 nan 0.000 0.425 844 R N 3.963 124.393 120.500 -0.117 0.000 2.346 844 R HA 0.609 4.954 4.340 0.009 0.000 0.311 844 R C -0.639 175.647 176.300 -0.023 0.000 0.983 844 R CA -0.273 55.752 56.100 -0.126 0.000 0.880 844 R CB 1.269 31.380 30.300 -0.315 0.000 1.100 844 R HN 0.607 nan 8.270 nan 0.000 0.453 845 I N 3.775 124.400 120.570 0.090 0.000 2.282 845 I HA 0.072 4.248 4.170 0.009 0.000 0.290 845 I C 0.917 177.090 176.117 0.094 0.000 1.090 845 I CA -0.147 61.213 61.300 0.100 0.000 1.231 845 I CB 1.073 39.216 38.000 0.238 0.000 1.434 845 I HN 0.602 nan 8.210 nan 0.000 0.487 846 E N 4.096 124.304 120.200 0.013 0.000 2.152 846 E HA -0.146 4.210 4.350 0.009 0.000 0.192 846 E C 0.686 177.380 176.600 0.156 0.000 0.983 846 E CA 0.843 57.278 56.400 0.059 0.000 0.818 846 E CB 0.239 29.891 29.700 -0.080 0.000 0.758 846 E HN 0.637 nan 8.360 nan 0.000 0.467 847 Q N 0.430 120.283 119.800 0.088 0.000 2.327 847 Q HA 0.261 4.607 4.340 0.009 0.000 0.270 847 Q C 0.260 176.224 176.000 -0.061 0.000 1.022 847 Q CA -0.171 55.666 55.803 0.056 0.000 0.773 847 Q CB 1.345 30.104 28.738 0.035 0.000 1.251 847 Q HN 0.063 nan 8.270 nan 0.000 0.457 848 L N 3.595 124.840 121.223 0.038 0.000 2.463 848 L HA 0.304 4.650 4.340 0.009 0.000 0.219 848 L C -0.317 176.644 176.870 0.152 0.000 1.088 848 L CA 0.295 55.206 54.840 0.119 0.000 0.849 848 L CB 0.541 42.728 42.059 0.214 0.000 1.012 848 L HN 0.607 nan 8.230 nan 0.000 0.468 849 Y N 0.044 120.292 120.300 -0.087 0.000 2.544 849 Y HA 0.378 4.934 4.550 0.009 0.000 0.342 849 Y C -2.474 173.264 175.900 -0.269 0.000 1.062 849 Y CA -2.558 55.466 58.100 -0.128 0.000 1.023 849 Y CB 1.904 40.356 38.460 -0.015 0.000 1.308 849 Y HN -0.253 nan 8.280 nan 0.000 0.457 850 P HA -0.091 nan 4.420 nan 0.000 0.266 850 P C -0.661 176.133 177.300 -0.844 0.000 1.186 850 P CA 0.526 62.811 63.100 -1.358 0.000 0.767 850 P CB 0.402 31.411 31.700 -1.150 0.000 0.820 851 F N 4.840 124.334 119.950 -0.759 0.000 2.467 851 F HA 0.242 4.774 4.527 0.009 0.000 0.362 851 F C -1.603 173.919 175.800 -0.464 0.000 1.090 851 F CA -2.040 55.558 58.000 -0.669 0.000 1.202 851 F CB 0.666 38.947 39.000 -1.199 0.000 1.113 851 F HN 0.186 nan 8.300 nan 0.000 0.541 852 P HA 0.175 nan 4.420 nan 0.000 0.241 852 P C -0.404 176.799 177.300 -0.162 0.000 1.780 852 P CA 0.073 63.021 63.100 -0.254 0.000 1.111 852 P CB 0.093 31.658 31.700 -0.225 0.000 1.852 853 H N 0.396 119.535 119.070 0.114 0.000 2.321 853 H HA -0.153 4.409 4.556 0.009 0.000 0.300 853 H C 2.298 177.703 175.328 0.129 0.000 1.087 853 H CA 2.342 58.503 56.048 0.188 0.000 1.319 853 H CB -0.032 29.859 29.762 0.216 0.000 1.379 853 H HN 0.139 nan 8.280 nan 0.000 0.501 854 K N 0.695 121.242 120.400 0.245 0.000 1.991 854 K HA -0.149 4.177 4.320 0.009 0.000 0.212 854 K C 2.502 179.169 176.600 0.111 0.000 1.049 854 K CA 1.139 57.515 56.287 0.148 0.000 0.932 854 K CB -0.980 31.582 32.500 0.103 0.000 0.717 854 K HN 0.425 nan 8.250 nan 0.000 0.441 855 A N 0.814 123.694 122.820 0.100 0.000 1.892 855 A HA -0.156 4.170 4.320 0.009 0.000 0.218 855 A C 2.390 180.000 177.584 0.043 0.000 1.188 855 A CA 2.231 54.302 52.037 0.056 0.000 0.631 855 A CB -0.571 18.457 19.000 0.046 0.000 0.822 855 A HN 0.535 nan 8.150 nan 0.000 0.447 856 M N -0.481 119.140 119.600 0.035 0.000 2.213 856 M HA -0.129 4.357 4.480 0.009 0.000 0.263 856 M C 2.467 178.846 176.300 0.132 0.000 1.062 856 M CA 1.834 57.180 55.300 0.076 0.000 1.105 856 M CB -1.412 31.241 32.600 0.088 0.000 1.385 856 M HN 0.785 nan 8.290 nan 0.000 0.417 857 Q N 0.859 120.740 119.800 0.134 0.000 2.079 857 Q HA -0.159 4.187 4.340 0.009 0.000 0.200 857 Q C 1.656 177.716 176.000 0.099 0.000 0.974 857 Q CA 1.887 57.767 55.803 0.129 0.000 0.840 857 Q CB -0.521 28.291 28.738 0.124 0.000 0.898 857 Q HN 0.727 nan 8.270 nan 0.000 0.430 858 E N 0.574 120.818 120.200 0.074 0.000 2.085 858 E HA -0.157 4.198 4.350 0.009 0.000 0.194 858 E C 2.215 178.843 176.600 0.046 0.000 0.994 858 E CA 1.904 58.332 56.400 0.047 0.000 0.801 858 E CB -0.417 29.301 29.700 0.030 0.000 0.743 858 E HN 0.633 nan 8.360 nan 0.000 0.453 859 V N -1.047 118.911 119.914 0.072 0.000 3.041 859 V HA -0.025 4.101 4.120 0.009 0.000 0.260 859 V C 1.713 177.915 176.094 0.179 0.000 1.105 859 V CA 1.098 63.456 62.300 0.098 0.000 1.125 859 V CB -0.321 31.558 31.823 0.094 0.000 0.730 859 V HN 0.160 nan 8.190 nan 0.000 0.479 860 L N -0.662 120.683 121.223 0.203 0.000 2.616 860 L HA 0.068 4.414 4.340 0.009 0.000 0.229 860 L C 2.686 179.679 176.870 0.205 0.000 1.110 860 L CA 0.589 55.627 54.840 0.330 0.000 0.884 860 L CB -0.198 42.078 42.059 0.362 0.000 1.115 860 L HN 0.350 nan 8.230 nan 0.000 0.481 861 Q N 1.013 120.863 119.800 0.083 0.000 2.062 861 Q HA -0.304 4.041 4.340 0.009 0.000 0.209 861 Q C 2.188 178.179 176.000 -0.014 0.000 0.996 861 Q CA 2.532 58.361 55.803 0.044 0.000 0.859 861 Q CB -0.419 28.328 28.738 0.015 0.000 0.920 861 Q HN 0.821 nan 8.270 nan 0.000 0.415 862 Q N -1.532 118.145 119.800 -0.205 0.000 2.439 862 Q HA -0.068 4.278 4.340 0.009 0.000 0.211 862 Q C 0.915 176.743 176.000 -0.288 0.000 0.978 862 Q CA 1.445 57.059 55.803 -0.315 0.000 0.897 862 Q CB -0.205 28.227 28.738 -0.509 0.000 0.956 862 Q HN 0.683 nan 8.270 nan 0.000 0.483 863 F N -0.201 119.863 119.950 0.191 0.000 2.684 863 F HA 0.500 5.033 4.527 0.009 0.000 0.298 863 F C 1.793 177.667 175.800 0.123 0.000 1.120 863 F CA -0.300 57.757 58.000 0.096 0.000 1.332 863 F CB 0.366 39.384 39.000 0.030 0.000 0.986 863 F HN 0.107 nan 8.300 nan 0.000 0.524 864 A N 0.531 123.559 122.820 0.346 0.000 2.084 864 A HA -0.250 4.076 4.320 0.009 0.000 0.221 864 A C 1.985 179.745 177.584 0.294 0.000 1.161 864 A CA 2.113 54.324 52.037 0.291 0.000 0.653 864 A CB -0.955 18.180 19.000 0.225 0.000 0.802 864 A HN 0.625 nan 8.150 nan 0.000 0.457 865 H N -2.089 117.104 119.070 0.205 0.000 2.575 865 H HA 0.311 4.873 4.556 0.009 0.000 0.267 865 H C 0.195 175.638 175.328 0.192 0.000 0.966 865 H CA 0.202 56.353 56.048 0.171 0.000 1.165 865 H CB -1.187 28.652 29.762 0.129 0.000 1.433 865 H HN 0.148 nan 8.280 nan 0.000 0.544 866 V N 2.276 122.078 119.914 -0.186 0.000 2.686 866 V HA 0.043 4.169 4.120 0.009 0.000 0.295 866 V C 0.883 177.092 176.094 0.192 0.000 1.055 866 V CA 0.102 62.361 62.300 -0.069 0.000 1.050 866 V CB 1.653 33.366 31.823 -0.183 0.000 0.984 866 V HN 0.334 nan 8.190 nan 0.000 0.482 867 K N 1.293 121.775 120.400 0.137 0.000 2.373 867 K HA 0.182 4.508 4.320 0.009 0.000 0.200 867 K C -0.168 176.555 176.600 0.205 0.000 1.054 867 K CA -0.083 56.309 56.287 0.174 0.000 1.065 867 K CB 0.538 33.096 32.500 0.098 0.000 0.886 867 K HN 0.640 nan 8.250 nan 0.000 0.546 868 D N 0.372 120.859 120.400 0.144 0.000 2.464 868 D HA 0.188 4.834 4.640 0.009 0.000 0.243 868 D C -1.409 174.899 176.300 0.012 0.000 1.104 868 D CA -0.509 53.538 54.000 0.079 0.000 0.883 868 D CB 0.206 40.993 40.800 -0.021 0.000 1.050 868 D HN -0.193 nan 8.370 nan 0.000 0.524 869 F N 2.338 122.290 119.950 0.003 0.000 2.458 869 F HA 0.461 4.993 4.527 0.009 0.000 0.336 869 F C 0.087 175.909 175.800 0.036 0.000 1.114 869 F CA -0.816 57.191 58.000 0.011 0.000 0.987 869 F CB 2.007 41.038 39.000 0.051 0.000 1.130 869 F HN -0.012 nan 8.300 nan 0.000 0.458 870 V N 3.459 123.430 119.914 0.095 0.000 2.495 870 V HA 0.227 4.352 4.120 0.009 0.000 0.298 870 V C -0.824 175.330 176.094 0.100 0.000 1.031 870 V CA -1.097 61.235 62.300 0.054 0.000 0.871 870 V CB 1.988 33.750 31.823 -0.100 0.000 0.988 870 V HN 0.789 nan 8.190 nan 0.000 0.432 871 W N 5.784 127.064 121.300 -0.034 0.000 2.338 871 W HA 0.555 5.220 4.660 0.009 0.000 0.307 871 W C -0.816 175.561 176.519 -0.237 0.000 1.167 871 W CA -0.527 56.765 57.345 -0.089 0.000 1.208 871 W CB 1.517 31.066 29.460 0.149 0.000 1.228 871 W HN 0.713 nan 8.180 nan 0.000 0.499 872 C N 8.414 127.110 119.300 -1.007 0.000 2.369 872 C HA 0.580 5.045 4.460 0.009 0.000 0.322 872 C C -0.701 173.656 174.990 -1.054 0.000 1.258 872 C CA -0.207 58.269 59.018 -0.904 0.000 1.487 872 C CB 0.879 28.273 27.740 -0.576 0.000 2.165 872 C HN 0.726 nan 8.230 nan 0.000 0.483 873 Q N 3.801 123.163 119.800 -0.731 0.000 2.359 873 Q HA 0.422 4.768 4.340 0.009 0.000 0.274 873 Q C 0.092 175.937 176.000 -0.259 0.000 1.074 873 Q CA -0.566 55.004 55.803 -0.389 0.000 0.810 873 Q CB 1.849 30.573 28.738 -0.023 0.000 1.342 873 Q HN 0.712 nan 8.270 nan 0.000 0.427 874 E N 1.081 121.166 120.200 -0.191 0.000 2.118 874 E HA -0.163 4.193 4.350 0.009 0.000 0.195 874 E C -0.027 176.316 176.600 -0.428 0.000 0.992 874 E CA 1.449 57.704 56.400 -0.241 0.000 0.804 874 E CB 0.300 29.913 29.700 -0.144 0.000 0.741 874 E HN 0.629 nan 8.360 nan 0.000 0.458 875 E N 1.409 121.419 120.200 -0.315 0.000 2.349 875 E HA 0.195 4.551 4.350 0.009 0.000 0.265 875 E C -2.454 174.066 176.600 -0.133 0.000 1.064 875 E CA -2.560 53.591 56.400 -0.414 0.000 0.886 875 E CB -0.140 29.562 29.700 0.004 0.000 1.036 875 E HN -0.125 nan 8.360 nan 0.000 0.413 876 P HA -0.061 nan 4.420 nan 0.000 0.270 876 P C 0.863 178.191 177.300 0.046 0.000 1.227 876 P CA -0.328 62.779 63.100 0.012 0.000 0.788 876 P CB 0.406 32.133 31.700 0.045 0.000 0.926 877 L N 2.038 123.235 121.223 -0.043 0.000 2.127 877 L HA -0.160 4.186 4.340 0.009 0.000 0.211 877 L C 1.355 178.027 176.870 -0.329 0.000 1.089 877 L CA 1.976 56.607 54.840 -0.348 0.000 0.757 877 L CB -0.988 40.756 42.059 -0.526 0.000 0.899 877 L HN 0.374 nan 8.230 nan 0.000 0.434 878 N N -1.402 117.239 118.700 -0.098 0.000 2.276 878 N HA 0.027 4.773 4.740 0.009 0.000 0.212 878 N C 0.170 175.754 175.510 0.124 0.000 1.127 878 N CA -0.018 53.060 53.050 0.047 0.000 0.834 878 N CB 0.204 38.799 38.487 0.180 0.000 1.014 878 N HN 0.568 nan 8.380 nan 0.000 0.491 879 Q N -1.043 118.823 119.800 0.110 0.000 3.017 879 Q HA 0.594 4.940 4.340 0.009 0.000 0.299 879 Q C 0.363 176.498 176.000 0.226 0.000 1.046 879 Q CA -0.624 55.283 55.803 0.174 0.000 0.821 879 Q CB 1.392 30.243 28.738 0.189 0.000 1.481 879 Q HN 0.139 nan 8.270 nan 0.000 0.494 880 G N 0.419 109.382 108.800 0.272 0.000 2.574 880 G HA2 -0.316 3.650 3.960 0.009 0.000 0.282 880 G HA3 -0.316 3.650 3.960 0.009 0.000 0.282 880 G C 0.414 175.515 174.900 0.336 0.000 1.257 880 G CA 0.392 45.696 45.100 0.340 0.000 0.956 880 G HN 0.844 nan 8.290 nan 0.000 0.560 881 A N -1.530 121.566 122.820 0.459 0.000 2.115 881 A HA 0.332 4.658 4.320 0.009 0.000 0.211 881 A C 1.951 179.647 177.584 0.186 0.000 1.169 881 A CA 1.379 53.601 52.037 0.308 0.000 0.787 881 A CB -0.496 18.721 19.000 0.362 0.000 0.858 881 A HN 1.091 nan 8.150 nan 0.000 0.474 882 W N -0.028 121.367 121.300 0.159 0.000 2.301 882 W HA -0.304 4.362 4.660 0.009 0.000 0.325 882 W C 1.535 178.057 176.519 0.004 0.000 1.250 882 W CA 2.193 59.580 57.345 0.071 0.000 1.261 882 W CB -0.438 29.089 29.460 0.113 0.000 1.157 882 W HN 0.445 nan 8.180 nan 0.000 0.473 883 Y N 0.096 120.331 120.300 -0.109 0.000 2.314 883 Y HA -0.129 4.427 4.550 0.009 0.000 0.293 883 Y C 2.799 178.523 175.900 -0.294 0.000 1.129 883 Y CA 1.126 59.052 58.100 -0.291 0.000 1.201 883 Y CB -1.245 37.171 38.460 -0.072 0.000 0.999 883 Y HN -0.003 nan 8.280 nan 0.000 0.541 884 C N -1.836 117.434 119.300 -0.051 0.000 2.512 884 C HA 0.065 4.531 4.460 0.009 0.000 0.276 884 C C 2.500 177.363 174.990 -0.212 0.000 1.368 884 C CA 1.080 60.045 59.018 -0.088 0.000 1.755 884 C CB -0.650 27.074 27.740 -0.027 0.000 2.008 884 C HN 0.382 nan 8.230 nan 0.000 0.511 885 S N -0.828 114.582 115.700 -0.483 0.000 2.520 885 S HA -0.013 4.463 4.470 0.009 0.000 0.219 885 S C 1.514 175.166 174.600 -1.581 0.000 1.028 885 S CA -0.106 57.519 58.200 -0.958 0.000 0.921 885 S CB -0.140 62.499 63.200 -0.935 0.000 0.844 885 S HN 0.609 nan 8.310 nan 0.000 0.495 886 Q N 1.499 120.606 119.800 -1.155 0.000 2.094 886 Q HA -0.375 3.971 4.340 0.009 0.000 0.217 886 Q C 1.782 177.359 176.000 -0.705 0.000 1.046 886 Q CA 2.785 58.058 55.803 -0.884 0.000 0.911 886 Q CB -0.399 27.869 28.738 -0.784 0.000 1.038 886 Q HN 0.927 nan 8.270 nan 0.000 0.422 887 H N -2.451 116.240 119.070 -0.632 0.000 2.456 887 H HA -0.090 4.472 4.556 0.009 0.000 0.296 887 H C 1.754 176.790 175.328 -0.487 0.000 1.079 887 H CA 1.612 57.372 56.048 -0.480 0.000 1.322 887 H CB -0.345 29.140 29.762 -0.461 0.000 1.388 887 H HN 0.385 nan 8.280 nan 0.000 0.538 888 H N 0.332 118.610 119.070 -1.320 0.000 2.326 888 H HA -0.085 4.476 4.556 0.009 0.000 0.301 888 H C 2.036 176.906 175.328 -0.764 0.000 1.081 888 H CA 1.520 56.798 56.048 -1.283 0.000 1.334 888 H CB -0.628 27.816 29.762 -2.196 0.000 1.385 888 H HN 0.477 nan 8.280 nan 0.000 0.504 889 F N 1.215 120.885 119.950 -0.468 0.000 2.095 889 F HA -0.188 4.344 4.527 0.009 0.000 0.298 889 F C 2.708 178.437 175.800 -0.119 0.000 1.104 889 F CA 0.638 58.523 58.000 -0.193 0.000 1.232 889 F CB -0.069 38.854 39.000 -0.129 0.000 0.987 889 F HN 0.075 nan 8.300 nan 0.000 0.475 890 R N 0.485 121.009 120.500 0.039 0.000 2.148 890 R HA -0.139 4.207 4.340 0.009 0.000 0.227 890 R C 1.792 178.100 176.300 0.013 0.000 1.103 890 R CA 1.155 57.263 56.100 0.013 0.000 0.983 890 R CB -0.546 29.746 30.300 -0.014 0.000 0.874 890 R HN 0.421 nan 8.270 nan 0.000 0.451 891 E N 0.256 120.465 120.200 0.015 0.000 2.153 891 E HA -0.137 4.218 4.350 0.009 0.000 0.194 891 E C 1.541 178.215 176.600 0.124 0.000 0.988 891 E CA 1.050 57.500 56.400 0.085 0.000 0.811 891 E CB 0.212 30.000 29.700 0.147 0.000 0.746 891 E HN 0.043 nan 8.360 nan 0.000 0.466 892 V N 0.910 120.897 119.914 0.122 0.000 3.556 892 V HA 0.143 4.269 4.120 0.009 0.000 0.287 892 V C 0.572 176.706 176.094 0.067 0.000 1.422 892 V CA -0.168 62.240 62.300 0.180 0.000 1.038 892 V CB 0.302 32.315 31.823 0.316 0.000 0.850 892 V HN 0.153 nan 8.190 nan 0.000 0.437 893 I N -0.804 119.716 120.570 -0.084 0.000 2.970 893 I HA 0.547 4.723 4.170 0.009 0.000 0.310 893 I C -2.369 173.626 176.117 -0.203 0.000 1.010 893 I CA -2.241 58.831 61.300 -0.380 0.000 1.228 893 I CB 0.748 38.231 38.000 -0.861 0.000 1.433 893 I HN -0.022 nan 8.210 nan 0.000 0.573 894 P HA 0.095 nan 4.420 nan 0.000 0.271 894 P C 0.178 177.510 177.300 0.052 0.000 1.218 894 P CA -0.117 62.989 63.100 0.010 0.000 0.780 894 P CB 0.410 32.154 31.700 0.074 0.000 0.901 895 F N 2.519 122.475 119.950 0.009 0.000 2.120 895 F HA -0.213 4.320 4.527 0.009 0.000 0.300 895 F C 2.161 177.977 175.800 0.026 0.000 1.095 895 F CA 2.445 60.455 58.000 0.017 0.000 1.249 895 F CB -0.794 38.222 39.000 0.028 0.000 0.995 895 F HN 0.402 nan 8.300 nan 0.000 0.480 896 G N 0.205 108.971 108.800 -0.057 0.000 2.469 896 G HA2 -0.133 3.832 3.960 0.009 0.000 0.220 896 G HA3 -0.133 3.832 3.960 0.009 0.000 0.220 896 G C 0.804 175.618 174.900 -0.143 0.000 1.136 896 G CA 0.540 45.560 45.100 -0.133 0.000 0.759 896 G HN 0.681 nan 8.290 nan 0.000 0.562 897 A N 0.161 122.932 122.820 -0.083 0.000 2.354 897 A HA 0.602 4.928 4.320 0.009 0.000 0.269 897 A C 0.748 178.331 177.584 -0.003 0.000 1.109 897 A CA 0.351 52.388 52.037 0.001 0.000 0.800 897 A CB 0.579 19.565 19.000 -0.023 0.000 1.045 897 A HN 0.832 nan 8.150 nan 0.000 0.489 898 S N 0.928 116.674 115.700 0.076 0.000 2.672 898 S HA 0.681 5.157 4.470 0.009 0.000 0.276 898 S C -0.606 174.101 174.600 0.179 0.000 1.207 898 S CA -0.521 57.738 58.200 0.097 0.000 1.002 898 S CB 1.119 64.373 63.200 0.090 0.000 0.998 898 S HN 1.357 nan 8.310 nan 0.000 0.542 899 L N 1.820 123.163 121.223 0.200 0.000 2.439 899 L HA 0.700 5.046 4.340 0.009 0.000 0.270 899 L C -0.654 176.422 176.870 0.343 0.000 0.972 899 L CA -0.446 54.574 54.840 0.299 0.000 0.836 899 L CB 1.757 44.003 42.059 0.311 0.000 1.255 899 L HN 1.075 nan 8.230 nan 0.000 0.404 900 R N 3.244 123.921 120.500 0.296 0.000 2.867 900 R HA 0.565 4.911 4.340 0.009 0.000 0.268 900 R C -1.731 174.617 176.300 0.080 0.000 1.014 900 R CA -0.800 55.433 56.100 0.223 0.000 0.946 900 R CB 1.135 31.507 30.300 0.120 0.000 1.208 900 R HN 0.525 nan 8.270 nan 0.000 0.477 901 Y N 1.199 121.304 120.300 -0.325 0.000 2.313 901 Y HA 0.612 5.168 4.550 0.009 0.000 0.332 901 Y C -1.048 174.647 175.900 -0.342 0.000 1.071 901 Y CA -0.177 57.546 58.100 -0.628 0.000 1.169 901 Y CB 1.418 39.180 38.460 -1.163 0.000 1.192 901 Y HN 0.869 nan 8.280 nan 0.000 0.487 902 A N 4.542 126.811 122.820 -0.920 0.000 2.343 902 A HA 0.891 5.217 4.320 0.009 0.000 0.308 902 A C -0.231 176.649 177.584 -1.173 0.000 1.092 902 A CA 0.156 51.708 52.037 -0.809 0.000 0.751 902 A CB 0.894 19.617 19.000 -0.462 0.000 1.203 902 A HN 1.339 nan 8.150 nan 0.000 0.452 903 G N 1.131 109.430 108.800 -0.835 0.000 2.333 903 G HA2 0.368 4.334 3.960 0.009 0.000 0.288 903 G HA3 0.368 4.334 3.960 0.009 0.000 0.288 903 G C -1.146 173.697 174.900 -0.095 0.000 1.286 903 G CA -1.088 43.712 45.100 -0.500 0.000 0.865 903 G HN 0.776 nan 8.290 nan 0.000 0.506 904 R N 0.914 121.400 120.500 -0.023 0.000 2.641 904 R HA 0.377 4.723 4.340 0.009 0.000 0.269 904 R C -2.144 174.204 176.300 0.081 0.000 1.074 904 R CA -1.010 55.092 56.100 0.003 0.000 1.133 904 R CB 0.725 30.990 30.300 -0.059 0.000 1.029 904 R HN 0.350 nan 8.270 nan 0.000 0.488 905 P HA 0.074 nan 4.420 nan 0.000 0.276 905 P C -0.762 176.545 177.300 0.012 0.000 1.252 905 P CA -0.368 62.748 63.100 0.027 0.000 0.802 905 P CB 0.538 32.251 31.700 0.023 0.000 1.035 906 A N 1.928 124.742 122.820 -0.011 0.000 2.555 906 A HA 0.414 4.740 4.320 0.009 0.000 0.233 906 A C 0.528 178.135 177.584 0.038 0.000 1.060 906 A CA 0.738 52.782 52.037 0.012 0.000 0.759 906 A CB -0.905 18.110 19.000 0.026 0.000 0.995 906 A HN 0.689 nan 8.150 nan 0.000 0.506 907 S N -0.218 115.514 115.700 0.055 0.000 2.570 907 S HA 0.683 5.158 4.470 0.009 0.000 0.270 907 S C 0.327 174.965 174.600 0.063 0.000 1.149 907 S CA -0.135 58.099 58.200 0.058 0.000 0.837 907 S CB 1.393 64.630 63.200 0.063 0.000 1.124 907 S HN 1.790 nan 8.310 nan 0.000 0.465 908 A N 1.237 124.087 122.820 0.051 0.000 1.935 908 A HA 0.417 4.743 4.320 0.009 0.000 0.214 908 A C 1.289 178.899 177.584 0.044 0.000 1.178 908 A CA 0.954 53.019 52.037 0.046 0.000 0.640 908 A CB -0.676 18.345 19.000 0.035 0.000 0.825 908 A HN 0.913 nan 8.150 nan 0.000 0.447 909 S N -0.461 115.263 115.700 0.040 0.000 2.562 909 S HA 0.418 4.894 4.470 0.009 0.000 0.275 909 S C -1.712 172.928 174.600 0.067 0.000 1.281 909 S CA -1.519 56.702 58.200 0.034 0.000 1.045 909 S CB 1.024 64.228 63.200 0.008 0.000 0.962 909 S HN 0.096 nan 8.310 nan 0.000 0.503 910 P HA 0.139 nan 4.420 nan 0.000 0.218 910 P C -0.348 177.079 177.300 0.213 0.000 1.149 910 P CA 0.755 63.940 63.100 0.141 0.000 0.817 910 P CB 0.180 31.925 31.700 0.075 0.000 0.785 911 A N -1.571 121.301 122.820 0.087 0.000 2.606 911 A HA 0.531 4.857 4.320 0.009 0.000 0.293 911 A C -0.547 177.045 177.584 0.012 0.000 1.082 911 A CA -0.691 51.408 52.037 0.103 0.000 0.685 911 A CB 0.921 19.883 19.000 -0.063 0.000 1.284 911 A HN -0.087 nan 8.150 nan 0.000 0.408 912 V N 0.131 120.062 119.914 0.027 0.000 3.096 912 V HA 0.579 4.704 4.120 0.009 0.000 0.306 912 V C 1.241 177.222 176.094 -0.187 0.000 1.088 912 V CA 0.741 62.996 62.300 -0.074 0.000 1.129 912 V CB 0.791 32.608 31.823 -0.010 0.000 1.014 912 V HN 1.535 nan 8.190 nan 0.000 0.486 913 G N 1.819 110.360 108.800 -0.432 0.000 2.572 913 G HA2 0.069 4.035 3.960 0.009 0.000 0.216 913 G HA3 0.069 4.035 3.960 0.009 0.000 0.216 913 G C 0.275 174.956 174.900 -0.365 0.000 1.133 913 G CA 0.140 44.941 45.100 -0.498 0.000 0.791 913 G HN 0.804 nan 8.290 nan 0.000 0.538 914 Y N -1.422 118.900 120.300 0.035 0.000 2.393 914 Y HA 0.490 5.045 4.550 0.009 0.000 0.341 914 Y C 1.169 177.107 175.900 0.063 0.000 0.988 914 Y CA -1.316 56.806 58.100 0.037 0.000 1.078 914 Y CB 2.021 40.501 38.460 0.033 0.000 1.203 914 Y HN -0.059 nan 8.280 nan 0.000 0.453 915 M N 1.877 121.600 119.600 0.205 0.000 2.159 915 M HA -0.181 4.305 4.480 0.009 0.000 0.263 915 M C 2.047 178.457 176.300 0.183 0.000 1.063 915 M CA 2.404 57.804 55.300 0.167 0.000 1.110 915 M CB -0.263 32.404 32.600 0.110 0.000 1.374 915 M HN 0.777 nan 8.290 nan 0.000 0.411 916 S N -0.942 114.847 115.700 0.148 0.000 2.355 916 S HA -0.100 4.376 4.470 0.009 0.000 0.222 916 S C 1.846 176.506 174.600 0.099 0.000 1.031 916 S CA 1.354 59.613 58.200 0.098 0.000 0.993 916 S CB -1.415 61.822 63.200 0.061 0.000 0.859 916 S HN 0.376 nan 8.310 nan 0.000 0.453 917 V N 2.731 122.730 119.914 0.143 0.000 2.282 917 V HA -0.251 3.874 4.120 0.009 0.000 0.249 917 V C 2.683 178.846 176.094 0.115 0.000 1.057 917 V CA 2.497 64.876 62.300 0.131 0.000 1.032 917 V CB -1.421 30.516 31.823 0.190 0.000 0.645 917 V HN 0.724 nan 8.190 nan 0.000 0.447 918 H N 0.499 119.614 119.070 0.074 0.000 2.321 918 H HA -0.256 4.306 4.556 0.010 0.000 0.295 918 H C 2.337 177.693 175.328 0.046 0.000 1.102 918 H CA 2.611 58.698 56.048 0.065 0.000 1.266 918 H CB -0.232 29.569 29.762 0.066 0.000 1.363 918 H HN 0.500 nan 8.280 nan 0.000 0.492 919 Q N -0.176 119.572 119.800 -0.087 0.000 2.084 919 Q HA -0.157 4.189 4.340 0.009 0.000 0.202 919 Q C 2.437 178.351 176.000 -0.143 0.000 0.978 919 Q CA 1.596 57.307 55.803 -0.154 0.000 0.844 919 Q CB -0.058 28.673 28.738 -0.011 0.000 0.898 919 Q HN 0.471 nan 8.270 nan 0.000 0.426 920 K N 0.659 121.015 120.400 -0.074 0.000 2.057 920 K HA -0.209 4.117 4.320 0.009 0.000 0.207 920 K C 2.020 178.568 176.600 -0.087 0.000 1.049 920 K CA 1.364 57.614 56.287 -0.061 0.000 0.931 920 K CB 0.097 32.583 32.500 -0.023 0.000 0.714 920 K HN 0.192 nan 8.250 nan 0.000 0.440 921 Q N 0.091 119.834 119.800 -0.095 0.000 2.084 921 Q HA -0.244 4.102 4.340 0.009 0.000 0.202 921 Q C 2.207 178.116 176.000 -0.151 0.000 0.978 921 Q CA 1.779 57.524 55.803 -0.097 0.000 0.844 921 Q CB -0.039 28.667 28.738 -0.054 0.000 0.898 921 Q HN 0.289 nan 8.270 nan 0.000 0.426 922 Q N 0.603 120.255 119.800 -0.247 0.000 2.061 922 Q HA -0.259 4.086 4.340 0.009 0.000 0.204 922 Q C 1.947 177.851 176.000 -0.160 0.000 0.984 922 Q CA 1.814 57.477 55.803 -0.232 0.000 0.846 922 Q CB -0.118 28.425 28.738 -0.325 0.000 0.902 922 Q HN 0.173 nan 8.270 nan 0.000 0.421 923 Q N 0.097 119.813 119.800 -0.140 0.000 2.124 923 Q HA -0.140 4.205 4.340 0.009 0.000 0.202 923 Q C 1.122 177.059 176.000 -0.104 0.000 0.977 923 Q CA 1.964 57.703 55.803 -0.107 0.000 0.850 923 Q CB -0.255 28.432 28.738 -0.085 0.000 0.901 923 Q HN 0.455 nan 8.270 nan 0.000 0.429 924 D N -0.686 119.653 120.400 -0.102 0.000 2.149 924 D HA -0.095 4.551 4.640 0.009 0.000 0.201 924 D C 1.815 178.046 176.300 -0.116 0.000 0.972 924 D CA 1.263 55.207 54.000 -0.093 0.000 0.835 924 D CB -0.130 40.625 40.800 -0.074 0.000 0.966 924 D HN 0.435 nan 8.370 nan 0.000 0.476 925 L N -1.423 119.716 121.223 -0.139 0.000 2.131 925 L HA 0.035 4.380 4.340 0.009 0.000 0.206 925 L C 2.196 178.950 176.870 -0.193 0.000 1.087 925 L CA 0.776 55.508 54.840 -0.180 0.000 0.767 925 L CB -1.075 40.859 42.059 -0.209 0.000 0.917 925 L HN -0.202 nan 8.230 nan 0.000 0.441 926 V N 1.299 121.111 119.914 -0.170 0.000 2.287 926 V HA -0.281 3.845 4.120 0.009 0.000 0.248 926 V C 2.599 178.603 176.094 -0.150 0.000 1.053 926 V CA 2.222 64.423 62.300 -0.164 0.000 1.027 926 V CB -0.945 30.795 31.823 -0.138 0.000 0.646 926 V HN 0.534 nan 8.190 nan 0.000 0.447 927 N N 0.069 118.693 118.700 -0.127 0.000 2.084 927 N HA -0.172 4.574 4.740 0.009 0.000 0.190 927 N C 1.696 177.137 175.510 -0.115 0.000 1.030 927 N CA 1.663 54.647 53.050 -0.110 0.000 0.849 927 N CB -0.617 37.816 38.487 -0.089 0.000 1.012 927 N HN 0.539 nan 8.380 nan 0.000 0.423 928 D N 0.619 120.946 120.400 -0.123 0.000 2.123 928 D HA -0.075 4.571 4.640 0.009 0.000 0.196 928 D C 1.644 177.858 176.300 -0.144 0.000 0.992 928 D CA 1.397 55.323 54.000 -0.124 0.000 0.833 928 D CB -0.224 40.496 40.800 -0.133 0.000 0.954 928 D HN 0.237 nan 8.370 nan 0.000 0.455 929 A N -0.213 122.500 122.820 -0.179 0.000 1.969 929 A HA -0.030 4.295 4.320 0.009 0.000 0.218 929 A C 2.412 179.892 177.584 -0.172 0.000 1.169 929 A CA 0.910 52.827 52.037 -0.200 0.000 0.635 929 A CB -0.503 18.350 19.000 -0.244 0.000 0.810 929 A HN 0.384 nan 8.150 nan 0.000 0.445 930 L N -0.708 120.422 121.223 -0.154 0.000 2.529 930 L HA 0.070 4.416 4.340 0.009 0.000 0.223 930 L C 0.717 177.518 176.870 -0.116 0.000 1.113 930 L CA -0.127 54.629 54.840 -0.141 0.000 0.861 930 L CB -0.263 41.714 42.059 -0.137 0.000 1.012 930 L HN 0.259 nan 8.230 nan 0.000 0.461 931 N N 1.179 119.816 118.700 -0.104 0.000 2.549 931 N HA 0.059 4.805 4.740 0.009 0.000 0.267 931 N C -0.619 174.846 175.510 -0.075 0.000 1.182 931 N CA 0.046 53.047 53.050 -0.082 0.000 1.019 931 N CB 0.250 38.693 38.487 -0.073 0.000 1.380 931 N HN -0.166 nan 8.380 nan 0.000 0.505 932 V N 2.393 122.265 119.914 -0.071 0.000 2.555 932 V HA 0.395 4.521 4.120 0.009 0.000 0.286 932 V C 1.036 177.105 176.094 -0.042 0.000 1.044 932 V CA 0.604 62.868 62.300 -0.060 0.000 1.026 932 V CB -0.360 31.427 31.823 -0.061 0.000 0.981 932 V HN 0.903 nan 8.190 nan 0.000 0.480 933 E N 0.000 120.180 120.200 -0.033 0.000 2.725 933 E HA 0.000 4.356 4.350 0.009 0.000 0.291 933 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 933 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 933 E HN 0.000 nan 8.360 nan 0.000 0.440