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 1j3u_1_A DATA FIRST_RESID 5 DATA SEQUENCE VRIEKDFLGE KEIPKDAYYG VQTIRATENF PITGYRIHPE LIKSLGIVKK DATA SEQUENCE SAALANMEVG LLDKEVGQYI VKAADEVIEG KWNDQFIVDP IQGGAGTSIN DATA SEQUENCE MNANEVIANR ALELMGEEKG NYSKISPNSH VNMSQSTNDA FPTATHIAVL DATA SEQUENCE SLLNQLIETT KYMQQEFMKK ADEFAGVIKM GRTHLQDAVP ILLGQEFEAY DATA SEQUENCE ARVIARDIER IANTRNNLYD INMGATAVGT GLNADPEYIS IVTEHLAKFS DATA SEQUENCE GHPLRSAQHL VDATQNTDCY TEVSSALKVC MINMSKIAND LRLMASGPRA DATA SEQUENCE GLSEIVLPAR QPGSSIMPGK VNPVMPEVMN QVAFQVFGND LTITSASEAG DATA SEQUENCE QFELNVMEPV LFFNLIQSIS IMTNVFKSFT ENCLKGIKAN EERMKEYVEK DATA SEQUENCE SIGIITAINP HVGYETAAKL AREAYLTGES IRELCIKYGV LTEEQLNEIL DATA SEQUENCE NPYEMIHPGI AG 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.044 176.094 -0.083 0.000 1.182 5 V CA 0.000 62.262 62.300 -0.063 0.000 1.235 5 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 6 R N 0.467 120.915 120.500 -0.088 0.000 2.664 6 R HA 0.747 5.183 4.340 0.160 0.000 0.266 6 R C -2.616 173.629 176.300 -0.091 0.000 1.046 6 R CA -0.499 55.538 56.100 -0.104 0.000 0.885 6 R CB 1.984 32.200 30.300 -0.142 0.000 1.254 6 R HN 1.742 nan 8.270 nan 0.000 0.465 7 I N 1.621 122.135 120.570 -0.093 0.000 2.406 7 I HA 0.401 4.667 4.170 0.160 0.000 0.290 7 I C -1.165 174.897 176.117 -0.092 0.000 0.999 7 I CA -0.177 61.076 61.300 -0.078 0.000 1.124 7 I CB 1.776 39.737 38.000 -0.065 0.000 1.289 7 I HN 0.582 nan 8.210 nan 0.000 0.441 8 E N 6.471 126.627 120.200 -0.074 0.000 2.191 8 E HA 0.521 4.967 4.350 0.160 0.000 0.263 8 E C -0.612 175.969 176.600 -0.031 0.000 0.881 8 E CA -0.836 55.522 56.400 -0.070 0.000 0.757 8 E CB 1.351 31.021 29.700 -0.051 0.000 1.147 8 E HN 0.681 nan 8.360 nan 0.000 0.414 9 K N 2.296 122.681 120.400 -0.025 0.000 2.270 9 K HA 0.227 4.643 4.320 0.160 0.000 0.276 9 K C -0.490 176.129 176.600 0.032 0.000 1.023 9 K CA -0.284 56.000 56.287 -0.005 0.000 0.955 9 K CB 0.756 33.254 32.500 -0.003 0.000 0.975 9 K HN 0.515 nan 8.250 nan 0.000 0.471 10 D N -0.053 120.358 120.400 0.018 0.000 2.645 10 D HA 0.357 5.093 4.640 0.160 0.000 0.228 10 D C 0.734 177.045 176.300 0.019 0.000 1.148 10 D CA -0.929 53.103 54.000 0.052 0.000 0.860 10 D CB 1.003 41.791 40.800 -0.020 0.000 1.548 10 D HN 0.408 nan 8.370 nan 0.000 0.460 11 F N 1.308 121.259 119.950 0.003 0.000 2.529 11 F HA 0.071 4.693 4.527 0.159 0.000 0.297 11 F C 0.769 176.564 175.800 -0.008 0.000 1.114 11 F CA 0.732 58.731 58.000 -0.002 0.000 1.467 11 F CB -0.281 38.719 39.000 -0.001 0.000 1.096 11 F HN 0.233 nan 8.300 nan 0.000 0.586 12 L N 0.190 120.935 121.223 -0.798 0.000 2.590 12 L HA 0.508 4.944 4.340 0.160 0.000 0.227 12 L C 1.064 177.753 176.870 -0.301 0.000 1.099 12 L CA 0.368 54.806 54.840 -0.670 0.000 0.872 12 L CB 0.046 41.661 42.059 -0.740 0.000 1.088 12 L HN 0.513 nan 8.230 nan 0.000 0.479 13 G N 0.123 108.802 108.800 -0.203 0.000 2.334 13 G HA2 -0.077 3.979 3.960 0.160 0.000 0.315 13 G HA3 -0.077 3.979 3.960 0.160 0.000 0.315 13 G C -1.301 173.550 174.900 -0.083 0.000 1.284 13 G CA -0.908 44.123 45.100 -0.115 0.000 0.985 13 G HN 0.007 nan 8.290 nan 0.000 0.504 14 E N 0.895 121.058 120.200 -0.061 0.000 2.229 14 E HA 0.555 5.001 4.350 0.160 0.000 0.283 14 E C 0.411 176.982 176.600 -0.047 0.000 1.030 14 E CA 0.056 56.427 56.400 -0.048 0.000 0.836 14 E CB 1.143 30.818 29.700 -0.041 0.000 1.068 14 E HN 0.754 nan 8.360 nan 0.000 0.401 15 K N 2.817 123.194 120.400 -0.038 0.000 2.292 15 K HA 0.288 4.705 4.320 0.160 0.000 0.257 15 K C -0.406 176.179 176.600 -0.026 0.000 0.940 15 K CA -0.729 55.541 56.287 -0.028 0.000 0.811 15 K CB 0.943 33.433 32.500 -0.016 0.000 1.120 15 K HN 0.539 nan 8.250 nan 0.000 0.428 16 E N 2.835 123.021 120.200 -0.023 0.000 1.996 16 E HA 0.187 4.633 4.350 0.160 0.000 0.280 16 E C -0.232 176.354 176.600 -0.023 0.000 1.092 16 E CA -0.611 55.770 56.400 -0.030 0.000 0.862 16 E CB 0.422 30.105 29.700 -0.029 0.000 1.066 16 E HN 0.458 nan 8.360 nan 0.000 0.396 17 I N 4.510 125.052 120.570 -0.048 0.000 2.474 17 I HA 0.165 4.432 4.170 0.160 0.000 0.287 17 I C -2.019 174.028 176.117 -0.117 0.000 1.048 17 I CA -2.915 58.340 61.300 -0.075 0.000 1.383 17 I CB 0.054 37.974 38.000 -0.134 0.000 1.412 17 I HN 0.138 nan 8.210 nan 0.000 0.531 18 P HA 0.078 nan 4.420 nan 0.000 0.267 18 P C 0.847 178.040 177.300 -0.178 0.000 1.200 18 P CA 0.275 63.310 63.100 -0.108 0.000 0.772 18 P CB 0.539 32.206 31.700 -0.056 0.000 0.855 19 K N 2.684 123.002 120.400 -0.137 0.000 2.032 19 K HA -0.184 4.232 4.320 0.160 0.000 0.209 19 K C 1.330 177.798 176.600 -0.221 0.000 1.048 19 K CA 2.065 58.254 56.287 -0.163 0.000 0.927 19 K CB -1.543 30.891 32.500 -0.110 0.000 0.712 19 K HN 0.531 nan 8.250 nan 0.000 0.441 20 D N 0.055 120.358 120.400 -0.163 0.000 2.363 20 D HA 0.158 4.894 4.640 0.160 0.000 0.226 20 D C 0.447 176.602 176.300 -0.240 0.000 1.020 20 D CA 0.660 54.567 54.000 -0.156 0.000 0.892 20 D CB -0.104 40.694 40.800 -0.005 0.000 0.900 20 D HN 0.574 nan 8.370 nan 0.000 0.531 21 A N -0.014 122.602 122.820 -0.339 0.000 2.354 21 A HA 0.241 4.658 4.320 0.160 0.000 0.269 21 A C -0.141 177.055 177.584 -0.647 0.000 1.109 21 A CA -0.256 51.493 52.037 -0.480 0.000 0.800 21 A CB 0.306 18.804 19.000 -0.836 0.000 1.045 21 A HN 0.079 nan 8.150 nan 0.000 0.489 22 Y N 0.646 120.676 120.300 -0.451 0.000 2.458 22 Y HA 0.159 4.804 4.550 0.159 0.000 0.256 22 Y C 0.333 176.066 175.900 -0.279 0.000 1.159 22 Y CA -0.053 57.825 58.100 -0.371 0.000 1.261 22 Y CB -0.362 37.824 38.460 -0.457 0.000 1.119 22 Y HN 0.750 nan 8.280 nan 0.000 0.524 23 Y N -1.645 118.641 120.300 -0.025 0.000 2.518 23 Y HA 0.907 5.557 4.550 0.168 0.000 0.332 23 Y C 0.640 176.538 175.900 -0.002 0.000 1.276 23 Y CA -1.426 56.641 58.100 -0.055 0.000 1.418 23 Y CB 0.337 38.749 38.460 -0.080 0.000 1.527 23 Y HN -0.149 nan 8.280 nan 0.000 0.549 24 G N -0.948 107.993 108.800 0.236 0.000 2.975 24 G HA2 0.398 4.454 3.960 0.160 0.000 0.291 24 G HA3 0.398 4.454 3.960 0.160 0.000 0.291 24 G C 0.356 175.380 174.900 0.207 0.000 1.334 24 G CA -0.462 44.752 45.100 0.189 0.000 0.843 24 G HN 1.125 nan 8.290 nan 0.000 0.548 25 V N -1.690 118.319 119.914 0.160 0.000 2.278 25 V HA -0.280 3.936 4.120 0.160 0.000 0.251 25 V C 2.403 178.560 176.094 0.106 0.000 1.062 25 V CA 2.675 65.045 62.300 0.117 0.000 1.038 25 V CB -1.182 30.704 31.823 0.106 0.000 0.646 25 V HN 0.612 nan 8.190 nan 0.000 0.447 26 Q N 0.611 120.479 119.800 0.112 0.000 2.014 26 Q HA -0.217 4.219 4.340 0.160 0.000 0.207 26 Q C 2.457 178.496 176.000 0.065 0.000 0.993 26 Q CA 2.840 58.695 55.803 0.087 0.000 0.850 26 Q CB -1.075 27.698 28.738 0.058 0.000 0.916 26 Q HN 0.778 nan 8.270 nan 0.000 0.417 27 T N 2.060 116.654 114.554 0.067 0.000 2.684 27 T HA -0.123 4.323 4.350 0.160 0.000 0.267 27 T C 1.999 176.689 174.700 -0.017 0.000 1.036 27 T CA 0.996 63.106 62.100 0.018 0.000 1.148 27 T CB -0.141 68.731 68.868 0.007 0.000 0.863 27 T HN 0.119 nan 8.240 nan 0.000 0.436 28 I N 1.088 121.679 120.570 0.034 0.000 2.127 28 I HA -0.122 4.144 4.170 0.160 0.000 0.241 28 I C 2.636 178.734 176.117 -0.031 0.000 1.075 28 I CA 1.435 62.738 61.300 0.005 0.000 1.334 28 I CB -1.004 37.037 38.000 0.067 0.000 1.040 28 I HN 0.085 nan 8.210 nan 0.000 0.405 29 R N 1.040 121.527 120.500 -0.021 0.000 2.117 29 R HA -0.116 4.320 4.340 0.160 0.000 0.243 29 R C 2.290 178.518 176.300 -0.119 0.000 1.143 29 R CA 1.615 57.676 56.100 -0.064 0.000 0.968 29 R CB -1.011 29.277 30.300 -0.020 0.000 0.863 29 R HN 0.455 nan 8.270 nan 0.000 0.444 30 A N -0.983 121.802 122.820 -0.058 0.000 1.930 30 A HA -0.116 4.300 4.320 0.160 0.000 0.217 30 A C 2.064 179.616 177.584 -0.054 0.000 1.175 30 A CA 1.938 53.957 52.037 -0.030 0.000 0.627 30 A CB -0.706 18.367 19.000 0.121 0.000 0.815 30 A HN 0.365 nan 8.150 nan 0.000 0.443 31 T N -0.054 114.467 114.554 -0.055 0.000 2.867 31 T HA -0.110 4.336 4.350 0.160 0.000 0.268 31 T C 1.707 176.351 174.700 -0.093 0.000 1.057 31 T CA 1.616 63.682 62.100 -0.056 0.000 1.136 31 T CB -0.157 68.664 68.868 -0.077 0.000 0.874 31 T HN 0.660 nan 8.240 nan 0.000 0.466 32 E N 1.011 121.130 120.200 -0.135 0.000 2.046 32 E HA -0.061 4.385 4.350 0.160 0.000 0.190 32 E C 2.323 178.779 176.600 -0.239 0.000 0.982 32 E CA 0.696 57.005 56.400 -0.153 0.000 0.800 32 E CB -0.039 29.577 29.700 -0.141 0.000 0.756 32 E HN 0.336 nan 8.360 nan 0.000 0.449 33 N N 0.333 118.776 118.700 -0.429 0.000 2.120 33 N HA -0.111 4.725 4.740 0.160 0.000 0.188 33 N C 0.246 175.333 175.510 -0.705 0.000 1.024 33 N CA 1.060 53.675 53.050 -0.726 0.000 0.852 33 N CB -0.014 37.676 38.487 -1.329 0.000 1.003 33 N HN 0.098 nan 8.380 nan 0.000 0.424 34 F N 0.966 120.886 119.950 -0.049 0.000 2.471 34 F HA 0.345 4.965 4.527 0.155 0.000 0.318 34 F C -2.051 173.703 175.800 -0.077 0.000 1.308 34 F CA -1.745 56.217 58.000 -0.063 0.000 1.162 34 F CB 1.455 40.413 39.000 -0.069 0.000 1.383 34 F HN -0.143 nan 8.300 nan 0.000 0.552 35 P HA 0.133 nan 4.420 nan 0.000 0.208 35 P C 0.679 177.962 177.300 -0.028 0.000 1.837 35 P CA 0.036 63.131 63.100 -0.008 0.000 0.953 35 P CB 0.197 31.878 31.700 -0.032 0.000 1.870 36 I N 0.871 121.422 120.570 -0.033 0.000 2.201 36 I HA -0.085 4.181 4.170 0.160 0.000 0.233 36 I C 2.309 178.317 176.117 -0.182 0.000 1.067 36 I CA 2.000 63.247 61.300 -0.088 0.000 1.354 36 I CB -2.281 35.663 38.000 -0.093 0.000 1.108 36 I HN 0.168 nan 8.210 nan 0.000 0.411 37 T N -1.997 112.375 114.554 -0.303 0.000 3.039 37 T HA 0.314 4.760 4.350 0.160 0.000 0.250 37 T C 1.658 176.021 174.700 -0.561 0.000 1.052 37 T CA 0.882 62.636 62.100 -0.576 0.000 1.125 37 T CB 0.304 68.597 68.868 -0.958 0.000 0.908 37 T HN 0.613 nan 8.240 nan 0.000 0.473 38 G N 0.509 109.130 108.800 -0.297 0.000 2.176 38 G HA2 -0.243 3.813 3.960 0.160 0.000 0.253 38 G HA3 -0.243 3.813 3.960 0.160 0.000 0.253 38 G C 0.145 175.057 174.900 0.020 0.000 0.979 38 G CA 0.246 45.273 45.100 -0.121 0.000 0.641 38 G HN 0.692 nan 8.290 nan 0.000 0.530 39 Y N 0.254 120.550 120.300 -0.008 0.000 2.258 39 Y HA 0.582 5.166 4.550 0.055 0.000 0.345 39 Y C 1.302 177.225 175.900 0.039 0.000 1.303 39 Y CA -0.742 57.375 58.100 0.029 0.000 1.537 39 Y CB 0.448 38.937 38.460 0.049 0.000 1.383 39 Y HN 0.004 nan 8.280 nan 0.000 0.606 40 R N 1.324 121.981 120.500 0.263 0.000 2.740 40 R HA 0.374 4.810 4.340 0.160 0.000 0.282 40 R C -0.855 175.567 176.300 0.203 0.000 0.969 40 R CA -1.149 55.063 56.100 0.188 0.000 0.918 40 R CB 1.514 31.902 30.300 0.147 0.000 1.175 40 R HN 0.707 nan 8.270 nan 0.000 0.464 41 I N -0.358 120.336 120.570 0.206 0.000 2.710 41 I HA 0.083 4.349 4.170 0.160 0.000 0.286 41 I C 0.897 177.124 176.117 0.183 0.000 1.181 41 I CA -0.223 61.216 61.300 0.231 0.000 1.430 41 I CB 0.344 38.484 38.000 0.234 0.000 1.367 41 I HN 0.351 nan 8.210 nan 0.000 0.577 42 H N 8.691 127.829 119.070 0.113 0.000 3.140 42 H HA 0.025 4.682 4.556 0.167 0.000 0.316 42 H C -1.619 173.711 175.328 0.004 0.000 0.986 42 H CA -1.127 54.949 56.048 0.048 0.000 1.397 42 H CB 1.132 30.912 29.762 0.031 0.000 1.377 42 H HN 0.543 nan 8.280 nan 0.000 0.585 43 P HA -0.154 nan 4.420 nan 0.000 0.226 43 P C 1.024 178.376 177.300 0.087 0.000 1.146 43 P CA 1.060 64.129 63.100 -0.052 0.000 0.773 43 P CB 0.428 32.049 31.700 -0.131 0.000 0.772 44 E N -0.130 120.313 120.200 0.404 0.000 2.230 44 E HA -0.015 4.431 4.350 0.160 0.000 0.192 44 E C 2.035 178.690 176.600 0.092 0.000 0.987 44 E CA 0.346 56.872 56.400 0.211 0.000 0.841 44 E CB -0.959 28.818 29.700 0.128 0.000 0.783 44 E HN 0.146 nan 8.360 nan 0.000 0.481 45 L N 0.079 121.368 121.223 0.111 0.000 2.072 45 L HA -0.069 4.367 4.340 0.160 0.000 0.205 45 L C 2.081 178.945 176.870 -0.011 0.000 1.079 45 L CA 0.892 55.769 54.840 0.060 0.000 0.752 45 L CB -0.172 41.961 42.059 0.123 0.000 0.906 45 L HN 0.242 nan 8.230 nan 0.000 0.436 46 I N 0.016 120.510 120.570 -0.127 0.000 2.127 46 I HA -0.383 3.883 4.170 0.160 0.000 0.241 46 I C 2.618 178.593 176.117 -0.236 0.000 1.075 46 I CA 1.530 62.570 61.300 -0.432 0.000 1.334 46 I CB -0.423 37.193 38.000 -0.639 0.000 1.040 46 I HN 0.280 nan 8.210 nan 0.000 0.405 47 K N 1.005 121.341 120.400 -0.106 0.000 2.063 47 K HA -0.199 4.217 4.320 0.160 0.000 0.208 47 K C 2.245 178.850 176.600 0.008 0.000 1.048 47 K CA 2.043 58.311 56.287 -0.032 0.000 0.928 47 K CB -0.041 32.458 32.500 -0.001 0.000 0.713 47 K HN 0.158 nan 8.250 nan 0.000 0.442 48 S N 1.002 116.717 115.700 0.025 0.000 2.382 48 S HA -0.107 4.459 4.470 0.160 0.000 0.228 48 S C 1.737 176.386 174.600 0.081 0.000 1.027 48 S CA 0.903 59.139 58.200 0.061 0.000 0.991 48 S CB -0.184 63.052 63.200 0.060 0.000 0.823 48 S HN 0.197 nan 8.310 nan 0.000 0.469 49 L N 1.576 122.845 121.223 0.078 0.000 2.046 49 L HA -0.037 4.399 4.340 0.160 0.000 0.208 49 L C 2.615 179.565 176.870 0.133 0.000 1.077 49 L CA 1.852 56.774 54.840 0.137 0.000 0.747 49 L CB -1.971 40.193 42.059 0.174 0.000 0.896 49 L HN 0.400 nan 8.230 nan 0.000 0.432 50 G N -0.669 108.189 108.800 0.097 0.000 2.422 50 G HA2 -0.215 3.841 3.960 0.160 0.000 0.218 50 G HA3 -0.215 3.841 3.960 0.160 0.000 0.218 50 G C 1.727 176.661 174.900 0.057 0.000 1.146 50 G CA 0.783 45.939 45.100 0.094 0.000 0.769 50 G HN 0.379 nan 8.290 nan 0.000 0.547 51 I N 0.264 120.868 120.570 0.056 0.000 2.202 51 I HA -0.136 4.130 4.170 0.160 0.000 0.242 51 I C 2.775 178.952 176.117 0.101 0.000 1.091 51 I CA 0.471 61.805 61.300 0.057 0.000 1.368 51 I CB -0.435 37.626 38.000 0.102 0.000 1.058 51 I HN 0.010 nan 8.210 nan 0.000 0.410 52 V N 1.194 121.182 119.914 0.122 0.000 2.287 52 V HA -0.281 3.935 4.120 0.160 0.000 0.248 52 V C 2.545 178.723 176.094 0.140 0.000 1.053 52 V CA 1.726 64.110 62.300 0.140 0.000 1.027 52 V CB -0.696 31.215 31.823 0.147 0.000 0.646 52 V HN 0.362 nan 8.190 nan 0.000 0.447 53 K N 0.225 120.702 120.400 0.129 0.000 2.147 53 K HA -0.175 4.241 4.320 0.160 0.000 0.205 53 K C 2.055 178.714 176.600 0.098 0.000 1.049 53 K CA 1.389 57.751 56.287 0.124 0.000 0.936 53 K CB -0.399 32.176 32.500 0.124 0.000 0.722 53 K HN 0.506 nan 8.250 nan 0.000 0.446 54 K N 0.842 121.273 120.400 0.051 0.000 2.007 54 K HA -0.034 4.382 4.320 0.160 0.000 0.206 54 K C 2.057 178.678 176.600 0.035 0.000 1.047 54 K CA 1.384 57.658 56.287 -0.022 0.000 0.937 54 K CB 0.040 32.430 32.500 -0.183 0.000 0.718 54 K HN -0.088 nan 8.250 nan 0.000 0.438 55 S N 0.540 116.311 115.700 0.119 0.000 2.440 55 S HA -0.124 4.442 4.470 0.160 0.000 0.238 55 S C 1.832 176.572 174.600 0.234 0.000 1.010 55 S CA 1.130 59.480 58.200 0.250 0.000 0.972 55 S CB -0.124 63.255 63.200 0.299 0.000 0.774 55 S HN 0.519 nan 8.310 nan 0.000 0.501 56 A N 1.184 124.124 122.820 0.201 0.000 1.935 56 A HA 0.436 4.852 4.320 0.160 0.000 0.214 56 A C 2.311 180.049 177.584 0.256 0.000 1.178 56 A CA 1.086 53.281 52.037 0.263 0.000 0.640 56 A CB -0.893 18.268 19.000 0.268 0.000 0.825 56 A HN 0.467 nan 8.150 nan 0.000 0.447 57 A N -0.115 122.812 122.820 0.179 0.000 1.877 57 A HA -0.029 4.387 4.320 0.160 0.000 0.216 57 A C 1.979 179.655 177.584 0.155 0.000 1.186 57 A CA 1.752 53.878 52.037 0.149 0.000 0.620 57 A CB -0.587 18.473 19.000 0.100 0.000 0.822 57 A HN 0.374 nan 8.150 nan 0.000 0.443 58 L N -0.341 120.972 121.223 0.149 0.000 2.046 58 L HA -0.106 4.330 4.340 0.160 0.000 0.208 58 L C 2.998 180.023 176.870 0.258 0.000 1.077 58 L CA 1.942 56.885 54.840 0.171 0.000 0.747 58 L CB -1.111 40.998 42.059 0.083 0.000 0.896 58 L HN 0.394 nan 8.230 nan 0.000 0.432 59 A N -0.524 122.480 122.820 0.306 0.000 1.902 59 A HA -0.201 4.215 4.320 0.160 0.000 0.217 59 A C 2.159 179.903 177.584 0.268 0.000 1.181 59 A CA 1.745 53.918 52.037 0.226 0.000 0.623 59 A CB -0.615 18.422 19.000 0.063 0.000 0.818 59 A HN 0.475 nan 8.150 nan 0.000 0.443 60 N N -0.528 118.355 118.700 0.305 0.000 2.223 60 N HA -0.083 4.753 4.740 0.160 0.000 0.185 60 N C 1.693 177.294 175.510 0.152 0.000 1.016 60 N CA 1.419 54.606 53.050 0.229 0.000 0.863 60 N CB -0.355 38.235 38.487 0.173 0.000 0.983 60 N HN 0.565 nan 8.380 nan 0.000 0.429 61 M N 0.301 119.988 119.600 0.146 0.000 2.193 61 M HA -0.043 4.533 4.480 0.160 0.000 0.265 61 M C 1.992 178.353 176.300 0.102 0.000 1.071 61 M CA 0.975 56.342 55.300 0.112 0.000 1.140 61 M CB -0.123 32.539 32.600 0.102 0.000 1.369 61 M HN 0.095 nan 8.290 nan 0.000 0.423 62 E N 0.124 120.394 120.200 0.117 0.000 2.077 62 E HA -0.156 4.290 4.350 0.160 0.000 0.193 62 E C 1.441 178.089 176.600 0.080 0.000 0.989 62 E CA 1.160 57.617 56.400 0.095 0.000 0.800 62 E CB 0.212 29.972 29.700 0.099 0.000 0.746 62 E HN 0.241 nan 8.360 nan 0.000 0.452 63 V N 0.179 120.152 119.914 0.098 0.000 3.636 63 V HA 0.059 4.275 4.120 0.160 0.000 0.279 63 V C 1.234 177.369 176.094 0.068 0.000 1.263 63 V CA 0.816 63.167 62.300 0.086 0.000 1.182 63 V CB -0.298 31.598 31.823 0.121 0.000 0.955 63 V HN 0.531 nan 8.190 nan 0.000 0.443 64 G N 0.496 109.336 108.800 0.067 0.000 2.168 64 G HA2 -0.312 3.744 3.960 0.160 0.000 0.257 64 G HA3 -0.312 3.744 3.960 0.160 0.000 0.257 64 G C 0.727 175.654 174.900 0.046 0.000 0.997 64 G CA 0.826 45.958 45.100 0.053 0.000 0.708 64 G HN 0.515 nan 8.290 nan 0.000 0.520 65 L N -1.473 119.779 121.223 0.049 0.000 2.307 65 L HA 0.362 4.798 4.340 0.160 0.000 0.211 65 L C 1.184 178.073 176.870 0.031 0.000 1.099 65 L CA 0.345 55.199 54.840 0.023 0.000 0.816 65 L CB 0.050 42.108 42.059 -0.003 0.000 0.952 65 L HN 0.323 nan 8.230 nan 0.000 0.455 66 L N 0.185 121.449 121.223 0.067 0.000 2.341 66 L HA 0.346 4.783 4.340 0.160 0.000 0.278 66 L C -0.442 176.494 176.870 0.111 0.000 1.005 66 L CA -0.612 54.288 54.840 0.100 0.000 0.818 66 L CB 1.218 43.352 42.059 0.125 0.000 1.259 66 L HN -0.131 nan 8.230 nan 0.000 0.418 67 D N 3.529 124.012 120.400 0.137 0.000 2.426 67 D HA -0.032 4.704 4.640 0.160 0.000 0.261 67 D C 0.846 177.206 176.300 0.101 0.000 1.245 67 D CA 0.610 54.679 54.000 0.114 0.000 0.917 67 D CB 0.802 41.679 40.800 0.129 0.000 1.123 67 D HN 0.610 nan 8.370 nan 0.000 0.508 68 K N 2.790 123.236 120.400 0.077 0.000 2.286 68 K HA -0.181 4.235 4.320 0.160 0.000 0.203 68 K C 1.424 178.053 176.600 0.048 0.000 1.045 68 K CA 1.089 57.411 56.287 0.059 0.000 0.935 68 K CB 0.186 32.712 32.500 0.045 0.000 0.737 68 K HN 0.596 nan 8.250 nan 0.000 0.460 69 E N 0.272 120.513 120.200 0.068 0.000 2.112 69 E HA -0.108 4.338 4.350 0.160 0.000 0.190 69 E C 2.058 178.755 176.600 0.163 0.000 0.979 69 E CA 0.827 57.280 56.400 0.089 0.000 0.814 69 E CB 0.164 29.925 29.700 0.102 0.000 0.762 69 E HN 0.044 nan 8.360 nan 0.000 0.460 70 V N 0.645 120.644 119.914 0.142 0.000 2.302 70 V HA -0.105 4.111 4.120 0.160 0.000 0.243 70 V C 2.364 178.549 176.094 0.150 0.000 1.036 70 V CA 1.855 64.246 62.300 0.152 0.000 1.020 70 V CB -0.815 31.011 31.823 0.006 0.000 0.657 70 V HN 0.380 nan 8.190 nan 0.000 0.453 71 G N -1.060 107.809 108.800 0.115 0.000 2.505 71 G HA2 -0.413 3.643 3.960 0.160 0.000 0.220 71 G HA3 -0.413 3.643 3.960 0.160 0.000 0.220 71 G C 1.482 176.416 174.900 0.057 0.000 1.145 71 G CA 1.419 46.579 45.100 0.100 0.000 0.761 71 G HN 0.504 nan 8.290 nan 0.000 0.571 72 Q N -0.742 119.059 119.800 0.001 0.000 2.077 72 Q HA -0.175 4.261 4.340 0.160 0.000 0.206 72 Q C 2.297 178.207 176.000 -0.151 0.000 0.989 72 Q CA 1.938 57.672 55.803 -0.115 0.000 0.853 72 Q CB -0.313 28.287 28.738 -0.231 0.000 0.907 72 Q HN 0.742 nan 8.270 nan 0.000 0.418 73 Y N -0.560 119.751 120.300 0.017 0.000 2.220 73 Y HA -0.151 4.495 4.550 0.159 0.000 0.291 73 Y C 1.993 177.906 175.900 0.022 0.000 1.129 73 Y CA 0.995 59.106 58.100 0.018 0.000 1.161 73 Y CB -0.032 38.435 38.460 0.011 0.000 0.997 73 Y HN 0.117 nan 8.280 nan 0.000 0.522 74 I N -0.788 119.886 120.570 0.173 0.000 2.151 74 I HA -0.332 3.934 4.170 0.160 0.000 0.243 74 I C 2.088 178.252 176.117 0.077 0.000 1.080 74 I CA 1.262 62.630 61.300 0.114 0.000 1.339 74 I CB -0.625 37.437 38.000 0.103 0.000 1.039 74 I HN 0.063 nan 8.210 nan 0.000 0.409 75 V N 0.853 120.792 119.914 0.042 0.000 2.295 75 V HA -0.295 3.921 4.120 0.160 0.000 0.246 75 V C 2.395 178.482 176.094 -0.011 0.000 1.049 75 V CA 1.885 64.180 62.300 -0.008 0.000 1.024 75 V CB -0.791 31.006 31.823 -0.043 0.000 0.648 75 V HN 0.405 nan 8.190 nan 0.000 0.447 76 K N 0.502 120.908 120.400 0.009 0.000 2.063 76 K HA -0.145 4.271 4.320 0.160 0.000 0.208 76 K C 2.328 178.975 176.600 0.078 0.000 1.048 76 K CA 1.572 57.876 56.287 0.028 0.000 0.928 76 K CB -0.460 32.065 32.500 0.041 0.000 0.713 76 K HN 0.486 nan 8.250 nan 0.000 0.442 77 A N 1.527 124.415 122.820 0.113 0.000 1.873 77 A HA -0.075 4.341 4.320 0.160 0.000 0.215 77 A C 2.399 180.067 177.584 0.140 0.000 1.186 77 A CA 1.713 53.836 52.037 0.144 0.000 0.616 77 A CB -0.724 18.345 19.000 0.116 0.000 0.823 77 A HN 0.322 nan 8.150 nan 0.000 0.442 78 A N -0.270 122.606 122.820 0.092 0.000 1.972 78 A HA -0.195 4.221 4.320 0.160 0.000 0.219 78 A C 1.782 179.397 177.584 0.051 0.000 1.169 78 A CA 1.976 54.062 52.037 0.082 0.000 0.635 78 A CB -0.588 18.437 19.000 0.042 0.000 0.810 78 A HN 0.437 nan 8.150 nan 0.000 0.446 79 D N -0.288 120.119 120.400 0.012 0.000 2.178 79 D HA -0.107 4.629 4.640 0.160 0.000 0.201 79 D C 1.944 178.257 176.300 0.021 0.000 0.980 79 D CA 1.195 55.180 54.000 -0.026 0.000 0.842 79 D CB -0.192 40.578 40.800 -0.051 0.000 0.948 79 D HN 0.653 nan 8.370 nan 0.000 0.472 80 E N -0.255 120.000 120.200 0.091 0.000 2.208 80 E HA -0.059 4.387 4.350 0.160 0.000 0.193 80 E C 2.147 178.824 176.600 0.128 0.000 0.988 80 E CA 0.274 56.731 56.400 0.096 0.000 0.828 80 E CB 0.359 30.194 29.700 0.225 0.000 0.763 80 E HN 0.128 nan 8.360 nan 0.000 0.478 81 V N 1.473 121.523 119.914 0.227 0.000 2.548 81 V HA -0.196 4.021 4.120 0.160 0.000 0.249 81 V C 2.126 178.274 176.094 0.089 0.000 1.055 81 V CA 1.215 63.661 62.300 0.244 0.000 1.065 81 V CB -0.294 31.700 31.823 0.286 0.000 0.681 81 V HN 0.262 nan 8.190 nan 0.000 0.462 82 I N -0.063 120.534 120.570 0.046 0.000 2.439 82 I HA -0.175 4.091 4.170 0.160 0.000 0.251 82 I C 2.132 178.242 176.117 -0.012 0.000 1.139 82 I CA 1.330 62.633 61.300 0.004 0.000 1.438 82 I CB -0.248 37.737 38.000 -0.024 0.000 1.085 82 I HN 0.323 nan 8.210 nan 0.000 0.427 83 E N 0.871 121.059 120.200 -0.021 0.000 2.502 83 E HA 0.070 4.516 4.350 0.160 0.000 0.194 83 E C 1.059 177.622 176.600 -0.062 0.000 1.062 83 E CA 0.326 56.699 56.400 -0.045 0.000 0.867 83 E CB 0.057 29.720 29.700 -0.063 0.000 0.888 83 E HN 0.498 nan 8.360 nan 0.000 0.510 84 G N 1.916 110.689 108.800 -0.045 0.000 2.338 84 G HA2 -0.330 3.726 3.960 0.160 0.000 0.296 84 G HA3 -0.330 3.726 3.960 0.160 0.000 0.296 84 G C 0.731 175.564 174.900 -0.111 0.000 1.040 84 G CA 0.592 45.662 45.100 -0.050 0.000 1.004 84 G HN 0.104 nan 8.290 nan 0.000 0.509 85 K N -1.376 118.899 120.400 -0.209 0.000 2.367 85 K HA 0.352 4.768 4.320 0.160 0.000 0.194 85 K C 0.889 177.082 176.600 -0.680 0.000 1.027 85 K CA 0.301 56.285 56.287 -0.506 0.000 1.075 85 K CB 0.095 32.167 32.500 -0.713 0.000 0.845 85 K HN 0.666 nan 8.250 nan 0.000 0.529 86 W N 0.007 121.332 121.300 0.041 0.000 1.641 86 W HA 0.263 5.015 4.660 0.154 0.000 0.294 86 W C 0.533 177.194 176.519 0.237 0.000 0.886 86 W CA -0.662 56.736 57.345 0.089 0.000 2.194 86 W CB 0.275 29.769 29.460 0.057 0.000 1.139 86 W HN -0.110 nan 8.180 nan 0.000 0.502 87 N N 0.958 119.841 118.700 0.305 0.000 2.272 87 N HA -0.164 4.672 4.740 0.160 0.000 0.185 87 N C 0.991 176.713 175.510 0.353 0.000 1.014 87 N CA 1.493 54.708 53.050 0.275 0.000 0.870 87 N CB -0.134 38.408 38.487 0.092 0.000 0.975 87 N HN 0.225 nan 8.380 nan 0.000 0.433 88 D N 0.878 121.462 120.400 0.306 0.000 2.178 88 D HA -0.095 4.641 4.640 0.160 0.000 0.201 88 D C 1.733 178.213 176.300 0.300 0.000 0.980 88 D CA 0.742 54.902 54.000 0.268 0.000 0.842 88 D CB -0.092 40.854 40.800 0.243 0.000 0.948 88 D HN 0.232 nan 8.370 nan 0.000 0.472 89 Q N -0.544 119.477 119.800 0.368 0.000 2.436 89 Q HA -0.037 4.399 4.340 0.160 0.000 0.209 89 Q C 0.022 176.039 176.000 0.028 0.000 0.965 89 Q CA 0.344 56.300 55.803 0.255 0.000 0.910 89 Q CB -0.140 28.697 28.738 0.165 0.000 0.980 89 Q HN 0.327 nan 8.270 nan 0.000 0.491 90 F N 1.412 121.442 119.950 0.134 0.000 2.368 90 F HA 0.184 4.801 4.527 0.151 0.000 0.362 90 F C 1.402 177.225 175.800 0.038 0.000 1.137 90 F CA -0.576 57.475 58.000 0.086 0.000 1.161 90 F CB 0.222 39.288 39.000 0.110 0.000 1.265 90 F HN -0.048 nan 8.300 nan 0.000 0.530 91 I N 0.848 121.433 120.570 0.024 0.000 4.082 91 I HA 0.255 4.521 4.170 0.160 0.000 0.337 91 I C 0.002 176.114 176.117 -0.008 0.000 1.352 91 I CA -0.296 60.990 61.300 -0.023 0.000 1.097 91 I CB -0.056 37.831 38.000 -0.189 0.000 1.048 91 I HN 0.154 nan 8.210 nan 0.000 0.393 92 V N -0.599 119.334 119.914 0.032 0.000 2.924 92 V HA 0.289 4.505 4.120 0.160 0.000 0.305 92 V C 0.179 176.307 176.094 0.057 0.000 1.073 92 V CA -0.249 62.079 62.300 0.047 0.000 1.098 92 V CB 0.900 32.761 31.823 0.062 0.000 1.000 92 V HN 0.154 nan 8.190 nan 0.000 0.484 93 D N 3.783 124.206 120.400 0.038 0.000 2.383 93 D HA 0.254 4.991 4.640 0.160 0.000 0.252 93 D C -1.656 174.598 176.300 -0.077 0.000 1.166 93 D CA -1.594 52.392 54.000 -0.024 0.000 0.879 93 D CB 1.917 42.696 40.800 -0.036 0.000 1.164 93 D HN 0.409 nan 8.370 nan 0.000 0.462 94 P HA -0.074 nan 4.420 nan 0.000 0.217 94 P C 0.247 177.420 177.300 -0.212 0.000 1.148 94 P CA 0.974 64.014 63.100 -0.099 0.000 0.828 94 P CB 0.228 31.824 31.700 -0.174 0.000 0.783 95 I N 0.530 120.897 120.570 -0.340 0.000 2.291 95 I HA 0.162 4.428 4.170 0.160 0.000 0.290 95 I C 0.390 176.307 176.117 -0.333 0.000 1.050 95 I CA -0.275 60.843 61.300 -0.303 0.000 1.245 95 I CB 0.252 38.066 38.000 -0.310 0.000 1.405 95 I HN 0.047 nan 8.210 nan 0.000 0.478 96 Q N 4.885 124.410 119.800 -0.459 0.000 2.482 96 Q HA 0.700 5.136 4.340 0.160 0.000 0.286 96 Q C -0.688 174.751 176.000 -0.936 0.000 1.007 96 Q CA -1.049 54.158 55.803 -0.993 0.000 0.801 96 Q CB 1.850 30.056 28.738 -0.887 0.000 1.455 96 Q HN 0.480 nan 8.270 nan 0.000 0.398 97 G N -0.741 107.190 108.800 -1.448 0.000 2.525 97 G HA2 0.493 4.549 3.960 0.160 0.000 0.287 97 G HA3 0.493 4.549 3.960 0.160 0.000 0.287 97 G C 0.723 175.437 174.900 -0.311 0.000 1.350 97 G CA -0.357 44.427 45.100 -0.527 0.000 1.039 97 G HN 1.563 nan 8.290 nan 0.000 0.513 98 G N -2.038 106.721 108.800 -0.068 0.000 2.184 98 G HA2 0.139 4.195 3.960 0.160 0.000 0.264 98 G HA3 0.139 4.195 3.960 0.160 0.000 0.264 98 G C 1.102 175.950 174.900 -0.086 0.000 0.975 98 G CA 1.259 46.347 45.100 -0.021 0.000 0.642 98 G HN 2.460 nan 8.290 nan 0.000 0.536 99 A N -1.295 121.448 122.820 -0.129 0.000 2.832 99 A HA 0.375 4.791 4.320 0.160 0.000 0.280 99 A C 2.226 179.690 177.584 -0.200 0.000 1.464 99 A CA 1.792 53.765 52.037 -0.107 0.000 0.804 99 A CB -1.405 17.584 19.000 -0.018 0.000 1.020 99 A HN 2.887 nan 8.150 nan 0.000 0.563 100 G N -4.030 104.509 108.800 -0.436 0.000 2.213 100 G HA2 -0.162 3.894 3.960 0.160 0.000 0.226 100 G HA3 -0.162 3.894 3.960 0.160 0.000 0.226 100 G C 1.255 175.786 174.900 -0.614 0.000 0.992 100 G CA 1.132 45.618 45.100 -1.023 0.000 0.632 100 G HN 1.461 nan 8.290 nan 0.000 0.511 101 T N 1.449 115.840 114.554 -0.273 0.000 2.699 101 T HA -0.117 4.329 4.350 0.160 0.000 0.268 101 T C 2.601 177.249 174.700 -0.087 0.000 1.036 101 T CA 2.244 64.270 62.100 -0.123 0.000 1.147 101 T CB -0.299 68.544 68.868 -0.042 0.000 0.862 101 T HN 0.460 nan 8.240 nan 0.000 0.446 102 S N 0.942 116.599 115.700 -0.072 0.000 2.356 102 S HA 0.006 4.572 4.470 0.160 0.000 0.223 102 S C 2.038 176.624 174.600 -0.023 0.000 1.032 102 S CA 0.882 59.083 58.200 0.002 0.000 1.005 102 S CB -0.397 62.854 63.200 0.086 0.000 0.867 102 S HN 0.422 nan 8.310 nan 0.000 0.449 103 I N 1.956 122.464 120.570 -0.103 0.000 2.179 103 I HA -0.236 4.030 4.170 0.160 0.000 0.242 103 I C 2.494 178.651 176.117 0.068 0.000 1.088 103 I CA 1.345 62.638 61.300 -0.012 0.000 1.357 103 I CB -0.444 37.485 38.000 -0.118 0.000 1.051 103 I HN 0.302 nan 8.210 nan 0.000 0.409 104 N N 0.860 119.550 118.700 -0.017 0.000 2.084 104 N HA -0.202 4.634 4.740 0.160 0.000 0.190 104 N C 1.831 177.384 175.510 0.073 0.000 1.030 104 N CA 1.682 54.780 53.050 0.081 0.000 0.849 104 N CB -0.049 38.473 38.487 0.058 0.000 1.012 104 N HN 0.040 nan 8.380 nan 0.000 0.423 105 M N 0.507 120.122 119.600 0.026 0.000 2.229 105 M HA -0.050 4.526 4.480 0.160 0.000 0.264 105 M C 1.847 178.145 176.300 -0.003 0.000 1.063 105 M CA 0.955 56.261 55.300 0.010 0.000 1.114 105 M CB -1.598 31.004 32.600 0.004 0.000 1.387 105 M HN 0.398 nan 8.290 nan 0.000 0.420 106 N N 0.106 118.807 118.700 0.002 0.000 2.166 106 N HA -0.098 4.738 4.740 0.160 0.000 0.186 106 N C 1.614 177.013 175.510 -0.185 0.000 1.019 106 N CA 1.192 54.189 53.050 -0.089 0.000 0.856 106 N CB 0.177 38.621 38.487 -0.072 0.000 0.993 106 N HN 0.310 nan 8.380 nan 0.000 0.426 107 A N 0.653 123.506 122.820 0.055 0.000 1.929 107 A HA -0.054 4.362 4.320 0.160 0.000 0.216 107 A C 1.918 179.555 177.584 0.089 0.000 1.176 107 A CA 0.925 53.086 52.037 0.206 0.000 0.628 107 A CB -0.353 18.907 19.000 0.434 0.000 0.816 107 A HN 0.342 nan 8.150 nan 0.000 0.444 108 N N 0.151 118.880 118.700 0.049 0.000 2.188 108 N HA -0.120 4.716 4.740 0.160 0.000 0.184 108 N C 1.635 177.111 175.510 -0.058 0.000 1.018 108 N CA 1.505 54.561 53.050 0.010 0.000 0.858 108 N CB -0.290 38.194 38.487 -0.005 0.000 0.989 108 N HN 0.659 nan 8.380 nan 0.000 0.426 109 E N 0.421 120.568 120.200 -0.088 0.000 2.028 109 E HA -0.049 4.397 4.350 0.160 0.000 0.190 109 E C 2.079 178.633 176.600 -0.075 0.000 0.984 109 E CA 0.661 56.988 56.400 -0.122 0.000 0.800 109 E CB -0.007 29.651 29.700 -0.069 0.000 0.758 109 E HN 0.017 nan 8.360 nan 0.000 0.448 110 V N 1.858 121.710 119.914 -0.103 0.000 2.282 110 V HA -0.288 3.928 4.120 0.160 0.000 0.249 110 V C 2.326 178.360 176.094 -0.100 0.000 1.057 110 V CA 1.713 63.936 62.300 -0.130 0.000 1.032 110 V CB -0.439 31.207 31.823 -0.296 0.000 0.645 110 V HN 0.254 nan 8.190 nan 0.000 0.447 111 I N 0.079 120.629 120.570 -0.034 0.000 2.252 111 I HA -0.218 4.048 4.170 0.160 0.000 0.245 111 I C 2.624 178.747 176.117 0.010 0.000 1.102 111 I CA 1.346 62.653 61.300 0.011 0.000 1.385 111 I CB -0.530 37.514 38.000 0.073 0.000 1.064 111 I HN 0.291 nan 8.210 nan 0.000 0.414 112 A N 0.954 123.769 122.820 -0.007 0.000 1.877 112 A HA -0.212 4.204 4.320 0.160 0.000 0.216 112 A C 2.087 179.686 177.584 0.026 0.000 1.186 112 A CA 1.910 53.942 52.037 -0.007 0.000 0.620 112 A CB -0.624 18.323 19.000 -0.089 0.000 0.822 112 A HN 0.413 nan 8.150 nan 0.000 0.443 113 N N -0.732 117.992 118.700 0.040 0.000 2.216 113 N HA -0.126 4.710 4.740 0.160 0.000 0.183 113 N C 1.866 177.415 175.510 0.065 0.000 1.017 113 N CA 1.420 54.501 53.050 0.053 0.000 0.861 113 N CB -0.374 38.125 38.487 0.019 0.000 0.986 113 N HN 0.442 nan 8.380 nan 0.000 0.428 114 R N 1.640 122.192 120.500 0.087 0.000 2.148 114 R HA 0.107 4.543 4.340 0.160 0.000 0.227 114 R C 1.756 178.094 176.300 0.065 0.000 1.103 114 R CA 1.280 57.416 56.100 0.060 0.000 0.983 114 R CB -0.693 29.441 30.300 -0.278 0.000 0.874 114 R HN 0.158 nan 8.270 nan 0.000 0.451 115 A N 0.311 123.160 122.820 0.049 0.000 1.897 115 A HA -0.005 4.411 4.320 0.160 0.000 0.215 115 A C 2.207 179.764 177.584 -0.044 0.000 1.181 115 A CA 1.173 53.248 52.037 0.064 0.000 0.620 115 A CB -0.526 18.523 19.000 0.081 0.000 0.821 115 A HN 0.338 nan 8.150 nan 0.000 0.443 116 L N -0.593 120.597 121.223 -0.055 0.000 2.079 116 L HA -0.214 4.222 4.340 0.160 0.000 0.210 116 L C 2.598 179.391 176.870 -0.129 0.000 1.081 116 L CA 1.829 56.600 54.840 -0.114 0.000 0.752 116 L CB -0.314 41.708 42.059 -0.063 0.000 0.896 116 L HN 0.587 nan 8.230 nan 0.000 0.433 117 E N 0.273 120.438 120.200 -0.057 0.000 2.072 117 E HA -0.212 4.234 4.350 0.160 0.000 0.191 117 E C 2.346 178.926 176.600 -0.034 0.000 0.985 117 E CA 0.934 57.317 56.400 -0.029 0.000 0.801 117 E CB -0.012 29.724 29.700 0.060 0.000 0.750 117 E HN 0.449 nan 8.360 nan 0.000 0.452 118 L N 0.490 121.703 121.223 -0.017 0.000 2.083 118 L HA -0.150 4.286 4.340 0.160 0.000 0.209 118 L C 2.337 179.090 176.870 -0.196 0.000 1.083 118 L CA 1.057 55.911 54.840 0.024 0.000 0.752 118 L CB -0.315 41.873 42.059 0.216 0.000 0.899 118 L HN 0.367 nan 8.230 nan 0.000 0.433 119 M N -1.016 118.211 119.600 -0.622 0.000 2.723 119 M HA 0.420 4.996 4.480 0.160 0.000 0.270 119 M C 0.778 176.866 176.300 -0.353 0.000 1.282 119 M CA 0.060 54.833 55.300 -0.879 0.000 0.995 119 M CB -0.114 31.531 32.600 -1.592 0.000 1.430 119 M HN 0.009 nan 8.290 nan 0.000 0.477 120 G N 0.866 109.550 108.800 -0.194 0.000 2.386 120 G HA2 -0.183 3.873 3.960 0.160 0.000 0.295 120 G HA3 -0.183 3.873 3.960 0.160 0.000 0.295 120 G C -0.612 174.220 174.900 -0.113 0.000 0.979 120 G CA 0.207 45.240 45.100 -0.111 0.000 1.193 120 G HN 0.661 nan 8.290 nan 0.000 0.508 121 E N -0.190 119.937 120.200 -0.122 0.000 2.393 121 E HA 0.328 4.774 4.350 0.160 0.000 0.273 121 E C -0.110 176.429 176.600 -0.102 0.000 0.918 121 E CA -0.920 55.415 56.400 -0.108 0.000 0.773 121 E CB 1.155 30.783 29.700 -0.121 0.000 1.275 121 E HN 0.326 nan 8.360 nan 0.000 0.451 122 E N 1.437 121.577 120.200 -0.100 0.000 2.376 122 E HA 0.073 4.519 4.350 0.160 0.000 0.266 122 E C -0.348 176.172 176.600 -0.135 0.000 1.009 122 E CA 0.139 56.470 56.400 -0.115 0.000 0.902 122 E CB 0.555 30.186 29.700 -0.115 0.000 0.972 122 E HN 0.190 nan 8.360 nan 0.000 0.439 123 K N 0.331 120.636 120.400 -0.159 0.000 2.436 123 K HA 0.219 4.635 4.320 0.160 0.000 0.275 123 K C 1.070 177.543 176.600 -0.211 0.000 0.999 123 K CA 0.640 56.822 56.287 -0.173 0.000 0.980 123 K CB 0.381 32.726 32.500 -0.260 0.000 0.919 123 K HN 0.769 nan 8.250 nan 0.000 0.484 124 G N 1.938 110.604 108.800 -0.222 0.000 2.195 124 G HA2 -0.329 3.727 3.960 0.160 0.000 0.246 124 G HA3 -0.329 3.727 3.960 0.160 0.000 0.246 124 G C 0.082 174.522 174.900 -0.766 0.000 0.984 124 G CA 0.130 44.869 45.100 -0.601 0.000 0.633 124 G HN 0.804 nan 8.290 nan 0.000 0.525 125 N N 0.309 118.806 118.700 -0.337 0.000 3.050 125 N HA 0.287 5.123 4.740 0.160 0.000 0.289 125 N C 0.979 176.465 175.510 -0.040 0.000 1.209 125 N CA -0.520 52.408 53.050 -0.203 0.000 1.154 125 N CB -0.296 38.121 38.487 -0.116 0.000 1.444 125 N HN 0.530 nan 8.380 nan 0.000 0.529 126 Y N 0.184 120.467 120.300 -0.029 0.000 2.665 126 Y HA -0.060 4.586 4.550 0.159 0.000 0.320 126 Y C 1.828 177.739 175.900 0.018 0.000 1.204 126 Y CA -0.496 57.601 58.100 -0.004 0.000 1.315 126 Y CB 0.275 38.742 38.460 0.011 0.000 1.033 126 Y HN 0.481 nan 8.280 nan 0.000 0.509 127 S N -0.496 115.272 115.700 0.112 0.000 2.439 127 S HA -0.068 4.498 4.470 0.160 0.000 0.224 127 S C 1.962 176.602 174.600 0.067 0.000 1.029 127 S CA 0.370 58.620 58.200 0.084 0.000 0.946 127 S CB 0.100 63.320 63.200 0.034 0.000 0.797 127 S HN 0.280 nan 8.310 nan 0.000 0.504 128 K N 1.166 121.577 120.400 0.018 0.000 2.005 128 K HA 0.234 4.650 4.320 0.160 0.000 0.206 128 K C 0.481 176.979 176.600 -0.169 0.000 1.044 128 K CA 0.842 57.101 56.287 -0.047 0.000 0.942 128 K CB -0.041 32.420 32.500 -0.065 0.000 0.727 128 K HN 0.301 nan 8.250 nan 0.000 0.439 129 I N 1.575 122.073 120.570 -0.120 0.000 2.595 129 I HA 0.069 4.335 4.170 0.160 0.000 0.275 129 I C -0.392 175.747 176.117 0.038 0.000 1.092 129 I CA -0.456 60.708 61.300 -0.226 0.000 1.145 129 I CB 1.638 39.553 38.000 -0.142 0.000 1.276 129 I HN -0.088 nan 8.210 nan 0.000 0.497 130 S N 7.588 123.436 115.700 0.246 0.000 2.488 130 S HA 0.247 4.814 4.470 0.160 0.000 0.278 130 S C -0.894 173.734 174.600 0.047 0.000 1.259 130 S CA -1.185 57.126 58.200 0.184 0.000 1.061 130 S CB 0.824 64.163 63.200 0.232 0.000 0.910 130 S HN 0.414 nan 8.310 nan 0.000 0.491 131 P HA -0.128 nan 4.420 nan 0.000 0.218 131 P C 0.848 178.100 177.300 -0.080 0.000 1.149 131 P CA 1.274 64.267 63.100 -0.179 0.000 0.817 131 P CB 0.054 31.526 31.700 -0.380 0.000 0.785 132 N N -0.813 117.836 118.700 -0.085 0.000 2.220 132 N HA -0.026 4.811 4.740 0.160 0.000 0.182 132 N C 1.711 177.202 175.510 -0.032 0.000 1.023 132 N CA 0.741 53.764 53.050 -0.045 0.000 0.856 132 N CB 0.117 38.577 38.487 -0.044 0.000 0.997 132 N HN -0.066 nan 8.380 nan 0.000 0.429 133 S N -1.374 114.307 115.700 -0.032 0.000 2.501 133 S HA 0.052 4.618 4.470 0.160 0.000 0.220 133 S C 0.739 175.199 174.600 -0.234 0.000 0.997 133 S CA 0.509 58.635 58.200 -0.122 0.000 0.919 133 S CB 0.056 63.166 63.200 -0.150 0.000 0.778 133 S HN 0.404 nan 8.310 nan 0.000 0.523 134 H N -0.427 118.642 119.070 -0.002 0.000 2.317 134 H HA 0.249 4.901 4.556 0.160 0.000 0.291 134 H C 2.004 177.347 175.328 0.025 0.000 0.999 134 H CA 0.694 56.752 56.048 0.016 0.000 1.336 134 H CB -0.190 29.588 29.762 0.026 0.000 1.485 134 H HN 0.071 nan 8.280 nan 0.000 0.597 135 V N 1.003 121.009 119.914 0.154 0.000 2.626 135 V HA -0.166 4.050 4.120 0.160 0.000 0.252 135 V C 1.282 177.427 176.094 0.084 0.000 1.067 135 V CA 1.887 64.249 62.300 0.103 0.000 1.081 135 V CB -0.393 31.470 31.823 0.066 0.000 0.686 135 V HN 0.396 nan 8.190 nan 0.000 0.468 136 N N -0.718 118.014 118.700 0.054 0.000 2.214 136 N HA 0.165 5.001 4.740 0.160 0.000 0.214 136 N C 0.525 176.045 175.510 0.017 0.000 1.132 136 N CA -0.118 52.959 53.050 0.044 0.000 0.856 136 N CB -0.009 38.492 38.487 0.024 0.000 1.020 136 N HN 0.446 nan 8.380 nan 0.000 0.509 137 M N 0.565 120.168 119.600 0.004 0.000 2.260 137 M HA -0.050 4.526 4.480 0.160 0.000 0.348 137 M C 0.038 176.285 176.300 -0.089 0.000 1.342 137 M CA 0.845 56.114 55.300 -0.051 0.000 1.040 137 M CB 0.180 32.749 32.600 -0.052 0.000 1.810 137 M HN 0.279 nan 8.290 nan 0.000 0.453 138 S N 1.339 116.933 115.700 -0.175 0.000 3.382 138 S HA -0.199 4.367 4.470 0.160 0.000 0.293 138 S C -0.399 174.063 174.600 -0.230 0.000 1.262 138 S CA 1.530 59.515 58.200 -0.357 0.000 0.969 138 S CB -1.853 60.844 63.200 -0.838 0.000 1.136 138 S HN 0.916 nan 8.310 nan 0.000 0.635 139 Q N -0.749 119.021 119.800 -0.051 0.000 2.544 139 Q HA 0.832 5.268 4.340 0.160 0.000 0.291 139 Q C -0.788 175.239 176.000 0.046 0.000 1.068 139 Q CA -0.868 54.965 55.803 0.051 0.000 0.785 139 Q CB 2.146 30.961 28.738 0.128 0.000 1.481 139 Q HN 0.172 nan 8.270 nan 0.000 0.430 140 S N -0.975 114.771 115.700 0.078 0.000 2.570 140 S HA 0.326 4.892 4.470 0.160 0.000 0.286 140 S C 0.392 175.056 174.600 0.108 0.000 1.099 140 S CA -0.150 58.093 58.200 0.073 0.000 0.913 140 S CB 1.874 65.113 63.200 0.065 0.000 1.085 140 S HN 0.637 nan 8.310 nan 0.000 0.480 141 T N 3.480 118.092 114.554 0.097 0.000 2.685 141 T HA -0.137 4.309 4.350 0.160 0.000 0.268 141 T C 1.471 176.291 174.700 0.199 0.000 1.034 141 T CA 1.844 64.021 62.100 0.128 0.000 1.149 141 T CB -0.529 68.377 68.868 0.064 0.000 0.860 141 T HN 0.660 nan 8.240 nan 0.000 0.449 142 N N 1.584 120.378 118.700 0.156 0.000 2.443 142 N HA -0.094 4.742 4.740 0.160 0.000 0.184 142 N C 1.382 176.995 175.510 0.172 0.000 1.037 142 N CA 1.391 54.543 53.050 0.171 0.000 0.896 142 N CB -0.179 38.382 38.487 0.123 0.000 0.959 142 N HN 0.717 nan 8.380 nan 0.000 0.442 143 D N -1.217 119.278 120.400 0.158 0.000 2.457 143 D HA 0.185 4.921 4.640 0.160 0.000 0.254 143 D C 1.545 177.933 176.300 0.147 0.000 1.097 143 D CA 0.274 54.354 54.000 0.133 0.000 0.870 143 D CB -0.498 40.370 40.800 0.113 0.000 1.253 143 D HN 0.000 nan 8.370 nan 0.000 0.500 144 A N 0.590 123.521 122.820 0.185 0.000 1.854 144 A HA 0.014 4.430 4.320 0.160 0.000 0.214 144 A C 2.020 179.757 177.584 0.255 0.000 1.192 144 A CA 1.198 53.355 52.037 0.200 0.000 0.611 144 A CB -1.195 17.924 19.000 0.200 0.000 0.832 144 A HN 0.196 nan 8.150 nan 0.000 0.442 145 F N 1.995 122.028 119.950 0.139 0.000 2.069 145 F HA -0.079 4.540 4.527 0.154 0.000 0.298 145 F C -0.366 175.565 175.800 0.218 0.000 1.113 145 F CA 1.797 59.903 58.000 0.177 0.000 1.214 145 F CB -1.051 38.057 39.000 0.179 0.000 0.978 145 F HN 0.187 nan 8.300 nan 0.000 0.474 146 P HA -0.122 nan 4.420 nan 0.000 0.217 146 P C 1.580 178.863 177.300 -0.027 0.000 1.150 146 P CA 1.999 65.114 63.100 0.026 0.000 0.832 146 P CB -0.319 31.495 31.700 0.190 0.000 0.787 147 T N 0.013 114.555 114.554 -0.020 0.000 2.821 147 T HA -0.008 4.438 4.350 0.160 0.000 0.267 147 T C 2.064 176.785 174.700 0.036 0.000 1.046 147 T CA 1.502 63.578 62.100 -0.040 0.000 1.139 147 T CB -0.669 68.202 68.868 0.004 0.000 0.871 147 T HN 0.080 nan 8.240 nan 0.000 0.454 148 A N 1.312 124.158 122.820 0.043 0.000 1.877 148 A HA -0.121 4.295 4.320 0.160 0.000 0.216 148 A C 2.541 180.110 177.584 -0.025 0.000 1.186 148 A CA 2.098 54.167 52.037 0.054 0.000 0.620 148 A CB -1.251 17.818 19.000 0.115 0.000 0.822 148 A HN 0.465 nan 8.150 nan 0.000 0.443 149 T N -0.879 113.573 114.554 -0.170 0.000 2.720 149 T HA -0.169 4.277 4.350 0.160 0.000 0.268 149 T C 1.773 176.362 174.700 -0.186 0.000 1.037 149 T CA 1.500 63.393 62.100 -0.346 0.000 1.144 149 T CB -0.571 67.727 68.868 -0.950 0.000 0.864 149 T HN 0.626 nan 8.240 nan 0.000 0.444 150 H N 0.272 119.221 119.070 -0.202 0.000 2.353 150 H HA -0.043 4.608 4.556 0.159 0.000 0.298 150 H C 2.319 177.576 175.328 -0.117 0.000 1.103 150 H CA 1.426 57.394 56.048 -0.134 0.000 1.293 150 H CB -0.159 29.559 29.762 -0.074 0.000 1.372 150 H HN 0.324 nan 8.280 nan 0.000 0.501 151 I N 0.287 120.908 120.570 0.086 0.000 2.233 151 I HA -0.203 4.063 4.170 0.160 0.000 0.243 151 I C 2.894 179.044 176.117 0.055 0.000 1.093 151 I CA 0.772 62.141 61.300 0.116 0.000 1.380 151 I CB -0.254 37.846 38.000 0.167 0.000 1.067 151 I HN 0.186 nan 8.210 nan 0.000 0.413 152 A N 0.607 123.424 122.820 -0.005 0.000 1.865 152 A HA -0.175 4.241 4.320 0.160 0.000 0.217 152 A C 2.420 179.936 177.584 -0.114 0.000 1.191 152 A CA 1.975 53.985 52.037 -0.045 0.000 0.623 152 A CB -1.107 17.850 19.000 -0.073 0.000 0.826 152 A HN 0.220 nan 8.150 nan 0.000 0.444 153 V N 0.067 119.876 119.914 -0.175 0.000 2.332 153 V HA -0.275 3.941 4.120 0.160 0.000 0.248 153 V C 2.575 178.540 176.094 -0.215 0.000 1.055 153 V CA 1.981 64.154 62.300 -0.211 0.000 1.038 153 V CB -0.788 30.891 31.823 -0.241 0.000 0.651 153 V HN 0.551 nan 8.190 nan 0.000 0.450 154 L N -0.452 120.613 121.223 -0.263 0.000 2.017 154 L HA -0.170 4.266 4.340 0.160 0.000 0.208 154 L C 2.668 179.399 176.870 -0.232 0.000 1.073 154 L CA 1.771 56.372 54.840 -0.398 0.000 0.745 154 L CB -0.522 41.074 42.059 -0.772 0.000 0.894 154 L HN 0.315 nan 8.230 nan 0.000 0.432 155 S N -0.025 115.664 115.700 -0.018 0.000 2.356 155 S HA -0.157 4.409 4.470 0.160 0.000 0.223 155 S C 1.938 176.555 174.600 0.028 0.000 1.032 155 S CA 1.240 59.536 58.200 0.161 0.000 1.005 155 S CB -0.331 62.980 63.200 0.184 0.000 0.867 155 S HN 0.274 nan 8.310 nan 0.000 0.449 156 L N 0.630 121.819 121.223 -0.057 0.000 2.083 156 L HA -0.122 4.314 4.340 0.160 0.000 0.209 156 L C 2.295 179.115 176.870 -0.084 0.000 1.083 156 L CA 0.620 55.403 54.840 -0.095 0.000 0.752 156 L CB -0.497 41.445 42.059 -0.196 0.000 0.899 156 L HN 0.248 nan 8.230 nan 0.000 0.433 157 L N 0.141 121.303 121.223 -0.103 0.000 2.012 157 L HA -0.246 4.190 4.340 0.160 0.000 0.210 157 L C 2.306 179.150 176.870 -0.043 0.000 1.073 157 L CA 1.738 56.520 54.840 -0.097 0.000 0.748 157 L CB -0.902 41.070 42.059 -0.145 0.000 0.891 157 L HN 0.284 nan 8.230 nan 0.000 0.431 158 N N -1.152 117.543 118.700 -0.009 0.000 2.223 158 N HA -0.190 4.646 4.740 0.160 0.000 0.185 158 N C 1.837 177.369 175.510 0.037 0.000 1.016 158 N CA 0.699 53.773 53.050 0.038 0.000 0.863 158 N CB -0.225 38.323 38.487 0.100 0.000 0.983 158 N HN 0.333 nan 8.380 nan 0.000 0.429 159 Q N 0.835 120.649 119.800 0.024 0.000 2.046 159 Q HA -0.030 4.406 4.340 0.160 0.000 0.200 159 Q C 2.066 178.083 176.000 0.028 0.000 0.975 159 Q CA 0.760 56.578 55.803 0.025 0.000 0.836 159 Q CB -0.670 28.076 28.738 0.013 0.000 0.896 159 Q HN 0.340 nan 8.270 nan 0.000 0.428 160 L N 0.596 121.819 121.223 -0.001 0.000 2.081 160 L HA -0.165 4.271 4.340 0.160 0.000 0.212 160 L C 2.142 179.055 176.870 0.071 0.000 1.080 160 L CA 1.640 56.480 54.840 -0.002 0.000 0.754 160 L CB -0.605 41.411 42.059 -0.071 0.000 0.893 160 L HN 0.236 nan 8.230 nan 0.000 0.433 161 I N -0.806 119.797 120.570 0.056 0.000 2.226 161 I HA -0.211 4.055 4.170 0.160 0.000 0.245 161 I C 2.462 178.641 176.117 0.104 0.000 1.100 161 I CA 0.923 62.270 61.300 0.078 0.000 1.374 161 I CB -0.493 37.538 38.000 0.051 0.000 1.057 161 I HN 0.297 nan 8.210 nan 0.000 0.413 162 E N 0.665 120.920 120.200 0.091 0.000 2.031 162 E HA -0.167 4.279 4.350 0.160 0.000 0.193 162 E C 2.261 178.952 176.600 0.151 0.000 0.994 162 E CA 1.713 58.172 56.400 0.099 0.000 0.800 162 E CB -0.637 29.100 29.700 0.061 0.000 0.752 162 E HN 0.371 nan 8.360 nan 0.000 0.447 163 T N 0.809 115.459 114.554 0.160 0.000 2.833 163 T HA -0.090 4.356 4.350 0.160 0.000 0.269 163 T C 1.805 176.705 174.700 0.333 0.000 1.054 163 T CA 1.692 63.937 62.100 0.242 0.000 1.135 163 T CB -0.230 68.768 68.868 0.216 0.000 0.869 163 T HN 0.183 nan 8.240 nan 0.000 0.466 164 T N 1.491 116.231 114.554 0.311 0.000 2.896 164 T HA 0.044 4.490 4.350 0.160 0.000 0.263 164 T C 1.998 176.806 174.700 0.179 0.000 1.050 164 T CA 0.701 62.976 62.100 0.292 0.000 1.140 164 T CB -0.025 69.030 68.868 0.312 0.000 0.877 164 T HN 0.379 nan 8.240 nan 0.000 0.457 165 K N 0.198 120.703 120.400 0.174 0.000 2.057 165 K HA -0.094 4.322 4.320 0.160 0.000 0.207 165 K C 2.096 178.805 176.600 0.181 0.000 1.049 165 K CA 1.149 57.523 56.287 0.144 0.000 0.931 165 K CB -0.288 32.289 32.500 0.128 0.000 0.714 165 K HN 0.295 nan 8.250 nan 0.000 0.440 166 Y N 1.695 122.048 120.300 0.088 0.000 2.097 166 Y HA -0.264 4.381 4.550 0.159 0.000 0.282 166 Y C 2.285 178.244 175.900 0.099 0.000 1.152 166 Y CA 1.731 59.880 58.100 0.081 0.000 1.136 166 Y CB -0.367 38.139 38.460 0.078 0.000 0.975 166 Y HN -0.019 nan 8.280 nan 0.000 0.498 167 M N -0.313 119.341 119.600 0.090 0.000 2.108 167 M HA -0.258 4.318 4.480 0.160 0.000 0.261 167 M C 2.290 178.696 176.300 0.176 0.000 1.066 167 M CA 2.067 57.400 55.300 0.055 0.000 1.107 167 M CB -0.346 32.316 32.600 0.104 0.000 1.356 167 M HN 0.353 nan 8.290 nan 0.000 0.406 168 Q N 0.178 120.058 119.800 0.134 0.000 2.124 168 Q HA -0.200 4.236 4.340 0.160 0.000 0.202 168 Q C 1.846 177.934 176.000 0.146 0.000 0.977 168 Q CA 1.612 57.496 55.803 0.136 0.000 0.850 168 Q CB -0.230 28.540 28.738 0.053 0.000 0.901 168 Q HN 0.620 nan 8.270 nan 0.000 0.429 169 Q N 0.137 119.974 119.800 0.062 0.000 2.123 169 Q HA -0.109 4.327 4.340 0.160 0.000 0.199 169 Q C 1.791 177.772 176.000 -0.031 0.000 0.966 169 Q CA 0.968 56.783 55.803 0.019 0.000 0.845 169 Q CB -0.026 28.714 28.738 0.004 0.000 0.907 169 Q HN 0.304 nan 8.270 nan 0.000 0.439 170 E N -0.164 119.960 120.200 -0.127 0.000 2.204 170 E HA -0.079 4.367 4.350 0.160 0.000 0.194 170 E C 1.470 178.006 176.600 -0.107 0.000 0.989 170 E CA 0.561 56.835 56.400 -0.210 0.000 0.824 170 E CB -0.167 29.308 29.700 -0.375 0.000 0.756 170 E HN 0.224 nan 8.360 nan 0.000 0.477 171 F N -0.576 119.374 119.950 -0.000 0.000 2.206 171 F HA -0.141 4.481 4.527 0.159 0.000 0.298 171 F C 2.139 178.000 175.800 0.103 0.000 1.090 171 F CA 0.873 58.960 58.000 0.146 0.000 1.323 171 F CB -0.115 38.990 39.000 0.175 0.000 1.028 171 F HN 0.100 nan 8.300 nan 0.000 0.492 172 M N 0.213 119.946 119.600 0.221 0.000 2.117 172 M HA -0.214 4.362 4.480 0.160 0.000 0.262 172 M C 2.079 178.385 176.300 0.010 0.000 1.065 172 M CA 1.679 57.047 55.300 0.112 0.000 1.114 172 M CB -1.009 31.632 32.600 0.069 0.000 1.361 172 M HN 0.079 nan 8.290 nan 0.000 0.408 173 K N -0.366 120.001 120.400 -0.056 0.000 2.063 173 K HA -0.173 4.243 4.320 0.160 0.000 0.208 173 K C 1.973 178.405 176.600 -0.279 0.000 1.048 173 K CA 1.008 57.207 56.287 -0.147 0.000 0.928 173 K CB -0.132 32.267 32.500 -0.168 0.000 0.713 173 K HN 0.186 nan 8.250 nan 0.000 0.442 174 K N 0.457 120.651 120.400 -0.345 0.000 2.148 174 K HA -0.053 4.363 4.320 0.160 0.000 0.204 174 K C 2.113 178.353 176.600 -0.601 0.000 1.050 174 K CA 1.132 56.974 56.287 -0.742 0.000 0.942 174 K CB -0.262 31.783 32.500 -0.758 0.000 0.724 174 K HN 0.146 nan 8.250 nan 0.000 0.446 175 A N 1.979 124.725 122.820 -0.122 0.000 1.902 175 A HA -0.183 4.233 4.320 0.160 0.000 0.217 175 A C 1.787 179.359 177.584 -0.021 0.000 1.181 175 A CA 1.818 53.891 52.037 0.058 0.000 0.623 175 A CB -0.277 18.813 19.000 0.149 0.000 0.818 175 A HN 0.220 nan 8.150 nan 0.000 0.443 176 D N -0.759 119.592 120.400 -0.081 0.000 2.103 176 D HA -0.140 4.596 4.640 0.160 0.000 0.199 176 D C 1.882 178.113 176.300 -0.115 0.000 0.978 176 D CA 1.351 55.313 54.000 -0.063 0.000 0.829 176 D CB -0.467 40.296 40.800 -0.062 0.000 0.981 176 D HN 0.699 nan 8.370 nan 0.000 0.464 177 E N -0.300 119.733 120.200 -0.278 0.000 2.171 177 E HA -0.179 4.267 4.350 0.160 0.000 0.197 177 E C 0.665 177.136 176.600 -0.214 0.000 0.997 177 E CA 0.861 57.046 56.400 -0.357 0.000 0.810 177 E CB 0.041 29.344 29.700 -0.662 0.000 0.738 177 E HN 0.163 nan 8.360 nan 0.000 0.467 178 F N -0.811 119.079 119.950 -0.100 0.000 2.654 178 F HA 0.406 5.029 4.527 0.159 0.000 0.303 178 F C 1.586 177.380 175.800 -0.009 0.000 1.099 178 F CA -0.144 57.813 58.000 -0.073 0.000 1.270 178 F CB -0.175 38.748 39.000 -0.127 0.000 1.024 178 F HN -0.010 nan 8.300 nan 0.000 0.548 179 A N 0.294 123.199 122.820 0.142 0.000 2.139 179 A HA -0.023 4.393 4.320 0.160 0.000 0.221 179 A C 2.337 180.007 177.584 0.142 0.000 1.159 179 A CA 1.889 54.005 52.037 0.131 0.000 0.662 179 A CB -0.935 18.125 19.000 0.101 0.000 0.796 179 A HN 0.413 nan 8.150 nan 0.000 0.463 180 G N -1.602 107.279 108.800 0.135 0.000 3.377 180 G HA2 0.394 4.450 3.960 0.160 0.000 0.257 180 G HA3 0.394 4.450 3.960 0.160 0.000 0.257 180 G C -0.050 174.907 174.900 0.096 0.000 1.038 180 G CA 0.143 45.314 45.100 0.119 0.000 0.809 180 G HN 0.173 nan 8.290 nan 0.000 0.526 181 V N 2.567 122.541 119.914 0.101 0.000 2.352 181 V HA 0.233 4.449 4.120 0.160 0.000 0.253 181 V C 0.287 176.399 176.094 0.029 0.000 1.083 181 V CA -0.839 61.490 62.300 0.049 0.000 0.993 181 V CB 0.513 32.330 31.823 -0.010 0.000 1.111 181 V HN 0.261 nan 8.190 nan 0.000 0.490 182 I N 6.655 127.243 120.570 0.029 0.000 2.634 182 I HA 0.405 4.671 4.170 0.160 0.000 0.284 182 I C 0.297 176.428 176.117 0.023 0.000 1.124 182 I CA 0.444 61.757 61.300 0.021 0.000 1.417 182 I CB 0.353 38.368 38.000 0.025 0.000 1.396 182 I HN 0.828 nan 8.210 nan 0.000 0.571 183 K N 5.158 125.568 120.400 0.018 0.000 2.507 183 K HA 0.597 5.013 4.320 0.160 0.000 0.284 183 K C -1.392 175.211 176.600 0.005 0.000 1.038 183 K CA -1.092 55.214 56.287 0.032 0.000 0.903 183 K CB 0.871 33.380 32.500 0.016 0.000 1.531 183 K HN 0.391 nan 8.250 nan 0.000 0.430 184 M N 1.893 121.479 119.600 -0.024 0.000 2.088 184 M HA 0.380 4.956 4.480 0.160 0.000 0.346 184 M C -0.229 176.019 176.300 -0.086 0.000 1.111 184 M CA -0.347 54.918 55.300 -0.059 0.000 1.017 184 M CB 1.104 33.649 32.600 -0.091 0.000 1.568 184 M HN 0.767 nan 8.290 nan 0.000 0.445 185 G N 5.003 113.766 108.800 -0.062 0.000 2.594 185 G HA2 0.538 4.594 3.960 0.160 0.000 0.243 185 G HA3 0.538 4.594 3.960 0.160 0.000 0.243 185 G C -0.779 174.086 174.900 -0.059 0.000 1.229 185 G CA -0.618 44.446 45.100 -0.061 0.000 0.843 185 G HN 0.755 nan 8.290 nan 0.000 0.578 186 R N -0.502 119.967 120.500 -0.051 0.000 2.604 186 R HA 0.561 4.997 4.340 0.160 0.000 0.281 186 R C -1.042 175.244 176.300 -0.023 0.000 1.020 186 R CA -0.743 55.335 56.100 -0.036 0.000 0.899 186 R CB 2.349 32.620 30.300 -0.048 0.000 1.205 186 R HN 0.712 nan 8.270 nan 0.000 0.450 187 T N -1.058 113.501 114.554 0.009 0.000 2.928 187 T HA 0.313 4.759 4.350 0.160 0.000 0.296 187 T C 0.169 174.928 174.700 0.098 0.000 1.000 187 T CA -0.705 61.391 62.100 -0.008 0.000 0.989 187 T CB 0.876 69.758 68.868 0.023 0.000 1.005 187 T HN 0.867 nan 8.240 nan 0.000 0.442 188 H N 2.050 121.110 119.070 -0.016 0.000 3.132 188 H HA -0.134 4.519 4.556 0.160 0.000 0.237 188 H C 1.007 176.327 175.328 -0.012 0.000 1.189 188 H CA 0.724 56.765 56.048 -0.012 0.000 1.129 188 H CB -1.400 28.355 29.762 -0.012 0.000 1.225 188 H HN 0.886 nan 8.280 nan 0.000 0.323 189 L N -1.962 119.298 121.223 0.061 0.000 4.696 189 L HA -0.277 4.159 4.340 0.160 0.000 0.425 189 L C 0.718 177.606 176.870 0.029 0.000 1.115 189 L CA 1.273 56.130 54.840 0.028 0.000 0.996 189 L CB -0.886 41.189 42.059 0.027 0.000 2.077 189 L HN 0.275 nan 8.230 nan 0.000 0.792 190 Q N 0.755 120.590 119.800 0.058 0.000 2.230 190 Q HA 0.358 4.794 4.340 0.160 0.000 0.253 190 Q C -0.165 175.846 176.000 0.017 0.000 0.919 190 Q CA -0.467 55.359 55.803 0.039 0.000 0.908 190 Q CB 1.187 29.955 28.738 0.050 0.000 1.245 190 Q HN 0.011 nan 8.270 nan 0.000 0.437 191 D N 1.570 121.971 120.400 0.002 0.000 2.548 191 D HA 0.174 4.910 4.640 0.160 0.000 0.231 191 D C -0.514 175.785 176.300 -0.001 0.000 1.142 191 D CA 0.780 54.773 54.000 -0.011 0.000 0.866 191 D CB 0.865 41.667 40.800 0.004 0.000 1.190 191 D HN 0.630 nan 8.370 nan 0.000 0.469 192 A N 1.757 124.570 122.820 -0.011 0.000 3.659 192 A HA 0.691 5.107 4.320 0.160 0.000 0.176 192 A C -0.275 177.303 177.584 -0.011 0.000 0.815 192 A CA -0.021 52.013 52.037 -0.005 0.000 1.012 192 A CB 0.084 19.080 19.000 -0.006 0.000 1.677 192 A HN 0.426 nan 8.150 nan 0.000 0.746 193 V N -2.626 117.277 119.914 -0.018 0.000 3.093 193 V HA 0.670 4.886 4.120 0.160 0.000 0.320 193 V C -2.964 173.112 176.094 -0.030 0.000 1.093 193 V CA -2.510 59.778 62.300 -0.020 0.000 1.016 193 V CB 0.629 32.439 31.823 -0.022 0.000 1.096 193 V HN 0.520 nan 8.190 nan 0.000 0.452 194 P HA 0.508 nan 4.420 nan 0.000 0.272 194 P C -0.648 176.615 177.300 -0.062 0.000 1.223 194 P CA 0.049 63.128 63.100 -0.036 0.000 0.784 194 P CB 0.601 32.285 31.700 -0.025 0.000 0.923 195 I N 0.496 121.027 120.570 -0.064 0.000 2.918 195 I HA 0.262 4.528 4.170 0.160 0.000 0.301 195 I C -1.595 174.480 176.117 -0.071 0.000 1.312 195 I CA -1.094 60.152 61.300 -0.091 0.000 1.007 195 I CB 1.429 39.379 38.000 -0.084 0.000 1.281 195 I HN 0.024 nan 8.210 nan 0.000 0.440 196 L N 6.019 127.188 121.223 -0.090 0.000 2.371 196 L HA 0.233 4.669 4.340 0.160 0.000 0.272 196 L C 1.013 177.892 176.870 0.015 0.000 1.124 196 L CA 0.348 55.168 54.840 -0.032 0.000 0.816 196 L CB 1.608 43.644 42.059 -0.039 0.000 1.129 196 L HN 0.820 nan 8.230 nan 0.000 0.448 197 L N 3.157 124.415 121.223 0.058 0.000 1.970 197 L HA -0.160 4.276 4.340 0.160 0.000 0.212 197 L C 2.096 179.123 176.870 0.261 0.000 1.071 197 L CA 1.832 56.746 54.840 0.124 0.000 0.751 197 L CB -0.296 41.785 42.059 0.036 0.000 0.889 197 L HN 0.928 nan 8.230 nan 0.000 0.432 198 G N -1.341 107.620 108.800 0.268 0.000 2.516 198 G HA2 -0.289 3.767 3.960 0.160 0.000 0.221 198 G HA3 -0.289 3.767 3.960 0.160 0.000 0.221 198 G C 1.385 176.392 174.900 0.179 0.000 1.107 198 G CA 0.581 45.848 45.100 0.278 0.000 0.747 198 G HN 0.519 nan 8.290 nan 0.000 0.567 199 Q N -0.353 119.495 119.800 0.080 0.000 2.187 199 Q HA -0.019 4.417 4.340 0.160 0.000 0.199 199 Q C 2.410 178.355 176.000 -0.091 0.000 0.957 199 Q CA 0.913 56.711 55.803 -0.009 0.000 0.857 199 Q CB -0.007 28.689 28.738 -0.071 0.000 0.929 199 Q HN 0.626 nan 8.270 nan 0.000 0.453 200 E N 0.021 120.145 120.200 -0.126 0.000 2.107 200 E HA -0.129 4.317 4.350 0.160 0.000 0.191 200 E C 1.567 177.664 176.600 -0.838 0.000 0.982 200 E CA 0.722 56.857 56.400 -0.442 0.000 0.809 200 E CB -0.024 29.464 29.700 -0.352 0.000 0.756 200 E HN 0.267 nan 8.360 nan 0.000 0.459 201 F N 1.338 121.097 119.950 -0.318 0.000 2.325 201 F HA -0.096 4.526 4.527 0.160 0.000 0.299 201 F C 2.415 178.208 175.800 -0.013 0.000 1.090 201 F CA 1.136 59.098 58.000 -0.063 0.000 1.392 201 F CB 0.142 39.278 39.000 0.226 0.000 1.053 201 F HN -0.002 nan 8.300 nan 0.000 0.521 202 E N 0.110 120.358 120.200 0.081 0.000 2.216 202 E HA -0.078 4.368 4.350 0.160 0.000 0.192 202 E C 2.224 178.794 176.600 -0.050 0.000 0.988 202 E CA 0.725 57.157 56.400 0.053 0.000 0.834 202 E CB -0.034 29.695 29.700 0.048 0.000 0.772 202 E HN 0.290 nan 8.360 nan 0.000 0.479 203 A N 0.205 122.916 122.820 -0.182 0.000 1.969 203 A HA -0.150 4.266 4.320 0.160 0.000 0.218 203 A C 1.559 179.072 177.584 -0.119 0.000 1.169 203 A CA 1.079 53.004 52.037 -0.188 0.000 0.635 203 A CB -0.576 18.254 19.000 -0.284 0.000 0.810 203 A HN 0.345 nan 8.150 nan 0.000 0.445 204 Y N -0.349 119.849 120.300 -0.170 0.000 2.176 204 Y HA 0.096 4.743 4.550 0.162 0.000 0.291 204 Y C 2.957 178.602 175.900 -0.424 0.000 1.122 204 Y CA 0.029 57.909 58.100 -0.366 0.000 1.128 204 Y CB -1.377 36.767 38.460 -0.527 0.000 1.005 204 Y HN 0.282 nan 8.280 nan 0.000 0.509 205 A N 0.687 123.444 122.820 -0.105 0.000 1.948 205 A HA -0.256 4.161 4.320 0.160 0.000 0.220 205 A C 2.363 179.906 177.584 -0.068 0.000 1.177 205 A CA 2.026 54.021 52.037 -0.070 0.000 0.636 205 A CB -0.630 18.430 19.000 0.101 0.000 0.815 205 A HN 0.431 nan 8.150 nan 0.000 0.449 206 R N -1.236 119.235 120.500 -0.048 0.000 2.066 206 R HA -0.052 4.384 4.340 0.160 0.000 0.232 206 R C 2.172 178.440 176.300 -0.053 0.000 1.131 206 R CA 1.289 57.366 56.100 -0.038 0.000 0.955 206 R CB -0.859 29.424 30.300 -0.028 0.000 0.851 206 R HN 0.414 nan 8.270 nan 0.000 0.432 207 V N 1.700 121.573 119.914 -0.068 0.000 2.343 207 V HA -0.210 4.006 4.120 0.160 0.000 0.247 207 V C 2.016 178.057 176.094 -0.088 0.000 1.051 207 V CA 1.704 63.963 62.300 -0.068 0.000 1.036 207 V CB -0.228 31.554 31.823 -0.068 0.000 0.654 207 V HN 0.270 nan 8.190 nan 0.000 0.451 208 I N 0.397 120.879 120.570 -0.146 0.000 2.315 208 I HA -0.156 4.110 4.170 0.160 0.000 0.248 208 I C 2.727 178.801 176.117 -0.071 0.000 1.117 208 I CA 1.344 62.553 61.300 -0.152 0.000 1.404 208 I CB -0.720 37.113 38.000 -0.278 0.000 1.071 208 I HN 0.401 nan 8.210 nan 0.000 0.419 209 A N 0.821 123.608 122.820 -0.054 0.000 1.902 209 A HA -0.224 4.192 4.320 0.160 0.000 0.217 209 A C 2.385 179.963 177.584 -0.011 0.000 1.181 209 A CA 1.563 53.590 52.037 -0.017 0.000 0.623 209 A CB -0.570 18.425 19.000 -0.008 0.000 0.818 209 A HN 0.275 nan 8.150 nan 0.000 0.443 210 R N -0.562 119.925 120.500 -0.022 0.000 2.189 210 R HA -0.098 4.338 4.340 0.160 0.000 0.223 210 R C 1.306 177.599 176.300 -0.011 0.000 1.092 210 R CA 1.333 57.423 56.100 -0.016 0.000 0.989 210 R CB -0.120 30.167 30.300 -0.021 0.000 0.876 210 R HN 0.505 nan 8.270 nan 0.000 0.457 211 D N 0.096 120.488 120.400 -0.013 0.000 2.137 211 D HA -0.080 4.656 4.640 0.160 0.000 0.202 211 D C 1.813 178.123 176.300 0.017 0.000 0.970 211 D CA 0.976 54.978 54.000 0.003 0.000 0.837 211 D CB -0.010 40.797 40.800 0.011 0.000 0.981 211 D HN 0.206 nan 8.370 nan 0.000 0.475 212 I N 1.209 121.792 120.570 0.022 0.000 2.194 212 I HA -0.275 3.991 4.170 0.160 0.000 0.246 212 I C 2.460 178.589 176.117 0.019 0.000 1.093 212 I CA 1.179 62.499 61.300 0.034 0.000 1.355 212 I CB -0.244 37.779 38.000 0.039 0.000 1.046 212 I HN 0.075 nan 8.210 nan 0.000 0.413 213 E N 1.249 121.456 120.200 0.010 0.000 2.007 213 E HA -0.247 4.199 4.350 0.160 0.000 0.194 213 E C 2.419 179.017 176.600 -0.004 0.000 0.999 213 E CA 1.322 57.725 56.400 0.005 0.000 0.811 213 E CB -0.007 29.693 29.700 0.001 0.000 0.762 213 E HN 0.323 nan 8.360 nan 0.000 0.450 214 R N 0.138 120.634 120.500 -0.007 0.000 2.113 214 R HA -0.191 4.245 4.340 0.160 0.000 0.244 214 R C 2.522 178.808 176.300 -0.024 0.000 1.142 214 R CA 1.837 57.928 56.100 -0.015 0.000 0.953 214 R CB -0.439 29.853 30.300 -0.013 0.000 0.860 214 R HN 0.347 nan 8.270 nan 0.000 0.438 215 I N 0.160 120.721 120.570 -0.016 0.000 2.142 215 I HA -0.266 4.000 4.170 0.160 0.000 0.240 215 I C 2.659 178.748 176.117 -0.046 0.000 1.078 215 I CA 1.300 62.584 61.300 -0.028 0.000 1.343 215 I CB -0.528 37.468 38.000 -0.007 0.000 1.046 215 I HN 0.220 nan 8.210 nan 0.000 0.405 216 A N 0.998 123.802 122.820 -0.026 0.000 1.908 216 A HA -0.264 4.152 4.320 0.160 0.000 0.218 216 A C 1.987 179.542 177.584 -0.049 0.000 1.181 216 A CA 2.270 54.289 52.037 -0.029 0.000 0.627 216 A CB -1.216 17.785 19.000 0.003 0.000 0.818 216 A HN 0.543 nan 8.150 nan 0.000 0.445 217 N N -0.531 118.146 118.700 -0.039 0.000 2.443 217 N HA -0.118 4.718 4.740 0.160 0.000 0.184 217 N C 1.452 176.911 175.510 -0.086 0.000 1.037 217 N CA 1.330 54.353 53.050 -0.044 0.000 0.896 217 N CB -0.209 38.262 38.487 -0.028 0.000 0.959 217 N HN 0.732 nan 8.380 nan 0.000 0.442 218 T N -1.844 112.644 114.554 -0.110 0.000 3.148 218 T HA 0.109 4.555 4.350 0.160 0.000 0.253 218 T C 1.584 176.138 174.700 -0.244 0.000 1.134 218 T CA 0.157 62.166 62.100 -0.151 0.000 1.051 218 T CB 0.088 68.876 68.868 -0.133 0.000 0.959 218 T HN 0.111 nan 8.240 nan 0.000 0.525 219 R N 1.053 121.384 120.500 -0.283 0.000 2.090 219 R HA 0.015 4.451 4.340 0.160 0.000 0.228 219 R C 2.510 178.342 176.300 -0.779 0.000 1.110 219 R CA 1.317 57.106 56.100 -0.517 0.000 0.973 219 R CB -0.502 29.519 30.300 -0.465 0.000 0.869 219 R HN 0.423 nan 8.270 nan 0.000 0.440 220 N N 1.358 119.796 118.700 -0.437 0.000 2.049 220 N HA -0.229 4.607 4.740 0.160 0.000 0.198 220 N C 1.395 176.797 175.510 -0.180 0.000 1.030 220 N CA 1.755 54.684 53.050 -0.202 0.000 0.870 220 N CB -0.286 38.199 38.487 -0.002 0.000 1.045 220 N HN 0.141 nan 8.380 nan 0.000 0.434 221 N N -0.493 118.087 118.700 -0.200 0.000 2.381 221 N HA -0.084 4.752 4.740 0.160 0.000 0.182 221 N C 0.935 176.327 175.510 -0.196 0.000 1.025 221 N CA 0.503 53.459 53.050 -0.156 0.000 0.888 221 N CB -0.092 38.294 38.487 -0.168 0.000 0.965 221 N HN 0.273 nan 8.380 nan 0.000 0.438 222 L N -0.387 120.617 121.223 -0.364 0.000 2.418 222 L HA 0.027 4.463 4.340 0.160 0.000 0.218 222 L C 1.625 178.482 176.870 -0.022 0.000 1.125 222 L CA 0.665 55.258 54.840 -0.411 0.000 0.835 222 L CB -0.776 40.924 42.059 -0.599 0.000 0.953 222 L HN 0.212 nan 8.230 nan 0.000 0.454 223 Y N -0.524 119.769 120.300 -0.012 0.000 2.333 223 Y HA -0.160 4.486 4.550 0.160 0.000 0.290 223 Y C 0.626 176.559 175.900 0.055 0.000 1.144 223 Y CA -0.139 57.974 58.100 0.022 0.000 1.228 223 Y CB 0.014 38.472 38.460 -0.003 0.000 0.985 223 Y HN 0.117 nan 8.280 nan 0.000 0.542 224 D N 1.896 122.423 120.400 0.212 0.000 2.336 224 D HA 0.191 4.927 4.640 0.160 0.000 0.249 224 D C 0.056 176.393 176.300 0.062 0.000 1.213 224 D CA 0.179 54.252 54.000 0.121 0.000 0.870 224 D CB 0.741 41.592 40.800 0.086 0.000 1.076 224 D HN 0.287 nan 8.370 nan 0.000 0.483 225 I N -0.457 120.107 120.570 -0.011 0.000 2.924 225 I HA 0.405 4.671 4.170 0.160 0.000 0.316 225 I C 0.751 176.809 176.117 -0.097 0.000 1.014 225 I CA -0.889 60.315 61.300 -0.160 0.000 1.106 225 I CB 1.571 39.520 38.000 -0.086 0.000 1.311 225 I HN 0.039 nan 8.210 nan 0.000 0.502 226 N N 3.019 121.653 118.700 -0.110 0.000 2.282 226 N HA 0.100 4.936 4.740 0.160 0.000 0.240 226 N C -0.136 175.386 175.510 0.019 0.000 1.182 226 N CA -0.478 52.559 53.050 -0.021 0.000 0.874 226 N CB 0.355 38.842 38.487 -0.000 0.000 1.126 226 N HN 0.703 nan 8.380 nan 0.000 0.516 227 M N 1.556 121.166 119.600 0.015 0.000 2.290 227 M HA 0.201 4.777 4.480 0.160 0.000 0.356 227 M C 1.157 177.518 176.300 0.103 0.000 1.448 227 M CA 1.183 56.521 55.300 0.064 0.000 0.993 227 M CB -0.503 32.121 32.600 0.039 0.000 1.934 227 M HN 0.554 nan 8.290 nan 0.000 0.461 228 G N 3.173 112.079 108.800 0.177 0.000 2.130 228 G HA2 -0.112 3.944 3.960 0.160 0.000 0.216 228 G HA3 -0.112 3.944 3.960 0.160 0.000 0.216 228 G C 0.498 175.473 174.900 0.124 0.000 0.999 228 G CA 0.348 45.583 45.100 0.223 0.000 0.686 228 G HN 1.252 nan 8.290 nan 0.000 0.515 229 A N -0.459 122.419 122.820 0.098 0.000 2.195 229 A HA 0.537 4.953 4.320 0.160 0.000 0.210 229 A C 2.021 179.644 177.584 0.065 0.000 1.165 229 A CA 2.057 54.138 52.037 0.073 0.000 0.806 229 A CB -0.357 18.688 19.000 0.074 0.000 0.847 229 A HN 2.586 nan 8.150 nan 0.000 0.482 230 T N -2.608 111.987 114.554 0.068 0.000 2.274 230 T HA -0.290 4.156 4.350 0.160 0.000 0.767 230 T C 1.445 176.178 174.700 0.054 0.000 1.005 230 T CA 1.530 63.659 62.100 0.048 0.000 4.044 230 T CB -1.750 67.133 68.868 0.025 0.000 2.315 230 T HN 1.713 nan 8.240 nan 0.000 0.394 231 A N 0.724 123.568 122.820 0.040 0.000 1.830 231 A HA 0.139 4.555 4.320 0.160 0.000 0.214 231 A C 2.797 180.415 177.584 0.057 0.000 1.218 231 A CA 3.275 55.338 52.037 0.043 0.000 0.628 231 A CB -1.324 17.692 19.000 0.026 0.000 0.860 231 A HN 1.496 nan 8.150 nan 0.000 0.454 232 V N -1.234 118.710 119.914 0.051 0.000 2.379 232 V HA 0.226 4.442 4.120 0.160 0.000 0.245 232 V C 1.879 178.019 176.094 0.077 0.000 1.044 232 V CA 1.937 64.276 62.300 0.064 0.000 1.036 232 V CB -0.534 31.319 31.823 0.051 0.000 0.664 232 V HN 1.452 nan 8.190 nan 0.000 0.453 233 G N -0.610 108.230 108.800 0.066 0.000 2.276 233 G HA2 -0.173 3.883 3.960 0.160 0.000 0.177 233 G HA3 -0.173 3.883 3.960 0.160 0.000 0.177 233 G C 0.721 175.650 174.900 0.049 0.000 1.017 233 G CA 0.541 45.684 45.100 0.071 0.000 0.750 233 G HN 0.515 nan 8.290 nan 0.000 0.506 234 T N -1.922 112.654 114.554 0.036 0.000 3.067 234 T HA 0.404 4.850 4.350 0.160 0.000 0.257 234 T C 2.301 177.007 174.700 0.010 0.000 1.105 234 T CA 1.567 63.676 62.100 0.015 0.000 1.104 234 T CB 0.255 69.132 68.868 0.015 0.000 0.925 234 T HN 2.014 nan 8.240 nan 0.000 0.498 235 G N 1.308 110.121 108.800 0.022 0.000 2.166 235 G HA2 -0.254 3.802 3.960 0.160 0.000 0.260 235 G HA3 -0.254 3.802 3.960 0.160 0.000 0.260 235 G C 0.055 174.963 174.900 0.013 0.000 0.986 235 G CA 0.150 45.265 45.100 0.025 0.000 0.683 235 G HN 0.780 nan 8.290 nan 0.000 0.527 236 L N 0.567 121.794 121.223 0.007 0.000 2.771 236 L HA 0.155 4.591 4.340 0.160 0.000 0.278 236 L C 1.203 178.067 176.870 -0.009 0.000 1.175 236 L CA 1.717 56.556 54.840 -0.001 0.000 0.973 236 L CB -0.545 41.512 42.059 -0.002 0.000 1.286 236 L HN 0.448 nan 8.230 nan 0.000 0.481 237 N N 1.040 119.734 118.700 -0.011 0.000 2.972 237 N HA -0.203 4.633 4.740 0.160 0.000 0.225 237 N C 0.291 175.785 175.510 -0.027 0.000 0.883 237 N CA 1.286 54.324 53.050 -0.019 0.000 1.010 237 N CB -1.293 37.178 38.487 -0.028 0.000 1.052 237 N HN 0.828 nan 8.380 nan 0.000 0.598 238 A N 1.088 123.898 122.820 -0.017 0.000 2.425 238 A HA 0.307 4.723 4.320 0.160 0.000 0.249 238 A C 0.234 177.834 177.584 0.028 0.000 1.084 238 A CA 0.163 52.192 52.037 -0.013 0.000 0.781 238 A CB 0.399 19.419 19.000 0.033 0.000 1.019 238 A HN 0.182 nan 8.150 nan 0.000 0.490 239 D N 2.417 122.846 120.400 0.049 0.000 2.295 239 D HA 0.356 5.092 4.640 0.160 0.000 0.248 239 D C -1.816 174.566 176.300 0.136 0.000 1.154 239 D CA -1.991 52.059 54.000 0.084 0.000 0.857 239 D CB 1.245 42.097 40.800 0.086 0.000 1.117 239 D HN 0.105 nan 8.370 nan 0.000 0.468 240 P HA -0.146 nan 4.420 nan 0.000 0.218 240 P C 0.893 178.221 177.300 0.046 0.000 1.146 240 P CA 0.945 64.079 63.100 0.058 0.000 0.813 240 P CB 0.297 32.014 31.700 0.028 0.000 0.778 241 E N -1.947 118.288 120.200 0.057 0.000 2.216 241 E HA -0.190 4.256 4.350 0.160 0.000 0.192 241 E C 1.822 178.444 176.600 0.037 0.000 0.988 241 E CA 0.415 56.835 56.400 0.032 0.000 0.834 241 E CB -0.330 29.392 29.700 0.037 0.000 0.772 241 E HN 0.238 nan 8.360 nan 0.000 0.479 242 Y N 1.123 121.420 120.300 -0.005 0.000 2.133 242 Y HA -0.166 4.480 4.550 0.159 0.000 0.287 242 Y C 1.808 177.708 175.900 -0.000 0.000 1.134 242 Y CA 1.627 59.729 58.100 0.004 0.000 1.133 242 Y CB -0.285 38.185 38.460 0.016 0.000 0.987 242 Y HN -0.042 nan 8.280 nan 0.000 0.502 243 I N -0.321 120.188 120.570 -0.102 0.000 2.069 243 I HA -0.394 3.873 4.170 0.160 0.000 0.237 243 I C 2.815 178.809 176.117 -0.206 0.000 1.053 243 I CA 1.851 63.046 61.300 -0.174 0.000 1.311 243 I CB -1.037 36.974 38.000 0.018 0.000 1.030 243 I HN 0.337 nan 8.210 nan 0.000 0.398 244 S N 1.231 116.860 115.700 -0.118 0.000 2.380 244 S HA -0.259 4.307 4.470 0.160 0.000 0.229 244 S C 2.047 176.537 174.600 -0.185 0.000 1.050 244 S CA 2.087 60.216 58.200 -0.118 0.000 1.100 244 S CB -0.536 62.616 63.200 -0.079 0.000 0.984 244 S HN 0.340 nan 8.310 nan 0.000 0.434 245 I N 0.613 121.049 120.570 -0.224 0.000 2.179 245 I HA -0.110 4.156 4.170 0.160 0.000 0.242 245 I C 2.487 178.358 176.117 -0.410 0.000 1.088 245 I CA 1.341 62.444 61.300 -0.328 0.000 1.357 245 I CB -0.553 37.290 38.000 -0.262 0.000 1.051 245 I HN 0.296 nan 8.210 nan 0.000 0.409 246 V N 0.535 120.214 119.914 -0.392 0.000 2.407 246 V HA -0.273 3.943 4.120 0.160 0.000 0.248 246 V C 2.455 178.466 176.094 -0.139 0.000 1.055 246 V CA 2.640 64.769 62.300 -0.285 0.000 1.049 246 V CB -0.368 31.113 31.823 -0.569 0.000 0.662 246 V HN 0.464 nan 8.190 nan 0.000 0.455 247 T N 0.010 114.466 114.554 -0.163 0.000 2.746 247 T HA -0.221 4.225 4.350 0.160 0.000 0.267 247 T C 1.770 176.424 174.700 -0.076 0.000 1.039 247 T CA 1.901 63.949 62.100 -0.086 0.000 1.142 247 T CB -0.267 68.552 68.868 -0.081 0.000 0.866 247 T HN 0.784 nan 8.240 nan 0.000 0.444 248 E N 0.009 120.128 120.200 -0.134 0.000 2.150 248 E HA -0.227 4.219 4.350 0.160 0.000 0.193 248 E C 1.945 178.481 176.600 -0.107 0.000 0.985 248 E CA 1.039 57.353 56.400 -0.142 0.000 0.814 248 E CB -0.081 29.497 29.700 -0.203 0.000 0.752 248 E HN 0.510 nan 8.360 nan 0.000 0.466 249 H N 0.473 119.463 119.070 -0.134 0.000 2.395 249 H HA -0.002 4.650 4.556 0.160 0.000 0.299 249 H C 2.216 177.481 175.328 -0.105 0.000 1.070 249 H CA 1.083 57.031 56.048 -0.166 0.000 1.356 249 H CB -0.141 29.657 29.762 0.059 0.000 1.401 249 H HN 0.212 nan 8.280 nan 0.000 0.524 250 L N -0.270 121.031 121.223 0.131 0.000 2.027 250 L HA -0.123 4.313 4.340 0.160 0.000 0.206 250 L C 2.793 179.703 176.870 0.067 0.000 1.074 250 L CA 1.090 56.012 54.840 0.138 0.000 0.745 250 L CB -0.530 41.593 42.059 0.107 0.000 0.898 250 L HN 0.202 nan 8.230 nan 0.000 0.433 251 A N -0.387 122.434 122.820 0.003 0.000 1.908 251 A HA -0.199 4.217 4.320 0.160 0.000 0.218 251 A C 2.369 179.897 177.584 -0.094 0.000 1.181 251 A CA 1.520 53.542 52.037 -0.025 0.000 0.627 251 A CB -0.344 18.625 19.000 -0.052 0.000 0.818 251 A HN 0.164 nan 8.150 nan 0.000 0.445 252 K N -0.582 119.700 120.400 -0.197 0.000 2.002 252 K HA -0.090 4.326 4.320 0.160 0.000 0.209 252 K C 1.648 178.078 176.600 -0.284 0.000 1.048 252 K CA 1.659 57.752 56.287 -0.324 0.000 0.930 252 K CB -0.686 31.482 32.500 -0.552 0.000 0.714 252 K HN 0.642 nan 8.250 nan 0.000 0.438 253 F N 0.893 120.837 119.950 -0.009 0.000 2.367 253 F HA -0.109 4.514 4.527 0.160 0.000 0.298 253 F C 2.517 178.290 175.800 -0.045 0.000 1.094 253 F CA 0.714 58.698 58.000 -0.027 0.000 1.409 253 F CB -0.195 38.793 39.000 -0.020 0.000 1.064 253 F HN 0.055 nan 8.300 nan 0.000 0.528 254 S N -0.474 115.285 115.700 0.098 0.000 2.425 254 S HA 0.237 4.803 4.470 0.160 0.000 0.225 254 S C 1.934 176.369 174.600 -0.275 0.000 1.024 254 S CA 0.675 58.870 58.200 -0.009 0.000 0.951 254 S CB -0.050 63.211 63.200 0.101 0.000 0.796 254 S HN 0.514 nan 8.310 nan 0.000 0.498 255 G N 0.945 109.610 108.800 -0.225 0.000 2.175 255 G HA2 -0.167 3.889 3.960 0.160 0.000 0.244 255 G HA3 -0.167 3.889 3.960 0.160 0.000 0.244 255 G C -0.079 174.631 174.900 -0.317 0.000 0.982 255 G CA 0.201 45.133 45.100 -0.280 0.000 0.641 255 G HN 0.677 nan 8.290 nan 0.000 0.527 256 H N -0.130 118.953 119.070 0.020 0.000 2.533 256 H HA 0.428 5.080 4.556 0.159 0.000 0.343 256 H C -2.471 172.788 175.328 -0.115 0.000 1.160 256 H CA -2.275 53.781 56.048 0.012 0.000 1.218 256 H CB 1.585 31.450 29.762 0.172 0.000 1.566 256 H HN -0.059 nan 8.280 nan 0.000 0.522 257 P HA 0.063 nan 4.420 nan 0.000 0.231 257 P C 0.021 177.154 177.300 -0.279 0.000 1.756 257 P CA 0.030 62.919 63.100 -0.353 0.000 0.990 257 P CB -0.463 30.866 31.700 -0.617 0.000 1.973 258 L N 1.431 122.625 121.223 -0.049 0.000 2.490 258 L HA 0.146 4.582 4.340 0.160 0.000 0.274 258 L C 1.082 177.954 176.870 0.002 0.000 1.201 258 L CA 0.395 55.264 54.840 0.049 0.000 0.869 258 L CB 0.200 42.311 42.059 0.085 0.000 1.123 258 L HN 0.155 nan 8.230 nan 0.000 0.484 259 R N 1.673 122.197 120.500 0.039 0.000 2.621 259 R HA 0.310 4.746 4.340 0.160 0.000 0.292 259 R C -0.751 175.561 176.300 0.022 0.000 0.969 259 R CA -0.673 55.437 56.100 0.016 0.000 0.887 259 R CB 2.073 32.389 30.300 0.026 0.000 1.180 259 R HN 0.514 nan 8.270 nan 0.000 0.450 260 S N 1.970 117.671 115.700 0.002 0.000 2.455 260 S HA 0.283 4.849 4.470 0.160 0.000 0.278 260 S C 0.346 174.955 174.600 0.014 0.000 1.216 260 S CA -0.538 57.662 58.200 0.001 0.000 1.055 260 S CB 0.265 63.457 63.200 -0.013 0.000 0.939 260 S HN 0.667 nan 8.310 nan 0.000 0.494 261 A N 4.664 127.497 122.820 0.021 0.000 2.603 261 A HA 0.016 4.432 4.320 0.160 0.000 0.235 261 A C 1.154 178.763 177.584 0.042 0.000 1.035 261 A CA 0.343 52.403 52.037 0.038 0.000 0.755 261 A CB 0.000 19.027 19.000 0.044 0.000 0.954 261 A HN 0.993 nan 8.150 nan 0.000 0.511 262 Q N -0.052 119.782 119.800 0.056 0.000 2.230 262 Q HA -0.080 4.356 4.340 0.160 0.000 0.202 262 Q C 0.348 176.392 176.000 0.074 0.000 0.963 262 Q CA 1.155 56.990 55.803 0.054 0.000 0.866 262 Q CB 0.166 28.939 28.738 0.059 0.000 0.931 262 Q HN 0.800 nan 8.270 nan 0.000 0.452 263 H N 0.128 119.208 119.070 0.016 0.000 2.675 263 H HA 0.114 4.766 4.556 0.160 0.000 0.258 263 H C 0.222 175.564 175.328 0.024 0.000 1.271 263 H CA -0.413 55.647 56.048 0.020 0.000 1.462 263 H CB 0.661 30.434 29.762 0.020 0.000 1.467 263 H HN 0.108 nan 8.280 nan 0.000 0.501 264 L N 3.630 124.898 121.223 0.074 0.000 2.263 264 L HA -0.182 4.254 4.340 0.160 0.000 0.216 264 L C 2.294 179.254 176.870 0.150 0.000 1.111 264 L CA 1.017 55.910 54.840 0.088 0.000 0.773 264 L CB -0.474 41.606 42.059 0.036 0.000 0.906 264 L HN 0.385 nan 8.230 nan 0.000 0.439 265 V N -0.464 119.606 119.914 0.260 0.000 2.323 265 V HA -0.254 3.962 4.120 0.160 0.000 0.244 265 V C 2.261 178.489 176.094 0.223 0.000 1.041 265 V CA 1.671 64.128 62.300 0.262 0.000 1.025 265 V CB -0.455 31.571 31.823 0.338 0.000 0.656 265 V HN 0.547 nan 8.190 nan 0.000 0.451 266 D N 1.115 121.670 120.400 0.259 0.000 2.117 266 D HA -0.175 4.561 4.640 0.160 0.000 0.197 266 D C 1.929 178.271 176.300 0.069 0.000 0.987 266 D CA 1.790 55.802 54.000 0.021 0.000 0.829 266 D CB -0.198 40.519 40.800 -0.138 0.000 0.961 266 D HN 0.354 nan 8.370 nan 0.000 0.460 267 A N -0.895 121.988 122.820 0.105 0.000 2.119 267 A HA 0.004 4.420 4.320 0.160 0.000 0.217 267 A C 2.184 179.824 177.584 0.094 0.000 1.153 267 A CA 1.585 53.670 52.037 0.080 0.000 0.692 267 A CB -0.505 18.531 19.000 0.060 0.000 0.799 267 A HN 0.350 nan 8.150 nan 0.000 0.458 268 T N -0.122 114.498 114.554 0.110 0.000 3.051 268 T HA -0.018 4.428 4.350 0.160 0.000 0.255 268 T C 1.832 176.610 174.700 0.131 0.000 1.085 268 T CA 1.218 63.389 62.100 0.119 0.000 1.109 268 T CB 0.030 68.965 68.868 0.112 0.000 0.921 268 T HN 0.881 nan 8.240 nan 0.000 0.488 269 Q N -0.133 119.737 119.800 0.117 0.000 2.353 269 Q HA 0.255 4.691 4.340 0.160 0.000 0.240 269 Q C 0.225 176.287 176.000 0.103 0.000 0.868 269 Q CA -0.196 55.673 55.803 0.110 0.000 0.944 269 Q CB 0.244 29.040 28.738 0.096 0.000 1.104 269 Q HN 0.144 nan 8.270 nan 0.000 0.531 270 N N 1.948 120.703 118.700 0.093 0.000 2.518 270 N HA 0.110 4.946 4.740 0.160 0.000 0.283 270 N C -0.070 175.523 175.510 0.138 0.000 1.119 270 N CA 0.690 53.789 53.050 0.081 0.000 0.983 270 N CB 1.746 40.253 38.487 0.032 0.000 1.139 270 N HN 0.316 nan 8.380 nan 0.000 0.465 271 T N -3.563 111.084 114.554 0.154 0.000 3.145 271 T HA 0.004 4.450 4.350 0.160 0.000 0.281 271 T C 0.810 175.593 174.700 0.139 0.000 1.003 271 T CA -0.514 61.759 62.100 0.290 0.000 0.901 271 T CB -0.006 69.106 68.868 0.408 0.000 1.112 271 T HN 0.468 nan 8.240 nan 0.000 0.535 272 D N 1.748 122.163 120.400 0.026 0.000 2.265 272 D HA -0.182 4.554 4.640 0.160 0.000 0.208 272 D C 2.000 178.242 176.300 -0.097 0.000 0.977 272 D CA 1.296 55.285 54.000 -0.018 0.000 0.871 272 D CB -0.972 39.812 40.800 -0.027 0.000 0.925 272 D HN 0.685 nan 8.370 nan 0.000 0.485 273 C N -1.059 118.095 119.300 -0.243 0.000 2.450 273 C HA 0.065 4.621 4.460 0.160 0.000 0.279 273 C C 2.648 177.422 174.990 -0.360 0.000 1.335 273 C CA -0.160 58.641 59.018 -0.362 0.000 1.749 273 C CB -1.841 25.586 27.740 -0.522 0.000 1.963 273 C HN 0.214 nan 8.230 nan 0.000 0.501 274 Y N 2.962 123.220 120.300 -0.069 0.000 2.220 274 Y HA -0.087 4.561 4.550 0.163 0.000 0.291 274 Y C 3.096 178.974 175.900 -0.036 0.000 1.129 274 Y CA 1.660 59.723 58.100 -0.062 0.000 1.161 274 Y CB -1.007 37.477 38.460 0.039 0.000 0.997 274 Y HN 0.443 nan 8.280 nan 0.000 0.522 275 T N -1.587 113.046 114.554 0.131 0.000 2.915 275 T HA -0.223 4.224 4.350 0.160 0.000 0.269 275 T C 1.597 176.305 174.700 0.013 0.000 1.071 275 T CA 1.403 63.545 62.100 0.069 0.000 1.132 275 T CB -0.323 68.578 68.868 0.054 0.000 0.878 275 T HN 0.507 nan 8.240 nan 0.000 0.479 276 E N 0.696 120.881 120.200 -0.026 0.000 2.106 276 E HA -0.094 4.352 4.350 0.160 0.000 0.192 276 E C 2.084 178.649 176.600 -0.059 0.000 0.984 276 E CA 0.907 57.274 56.400 -0.054 0.000 0.806 276 E CB -0.086 29.559 29.700 -0.091 0.000 0.750 276 E HN 0.440 nan 8.360 nan 0.000 0.458 277 V N 0.419 120.292 119.914 -0.068 0.000 2.323 277 V HA -0.199 4.017 4.120 0.160 0.000 0.244 277 V C 2.463 178.534 176.094 -0.038 0.000 1.041 277 V CA 1.754 64.011 62.300 -0.073 0.000 1.025 277 V CB -0.508 31.258 31.823 -0.095 0.000 0.656 277 V HN 0.286 nan 8.190 nan 0.000 0.451 278 S N -0.306 115.389 115.700 -0.008 0.000 2.383 278 S HA -0.208 4.358 4.470 0.160 0.000 0.229 278 S C 2.241 176.848 174.600 0.010 0.000 1.030 278 S CA 2.012 60.215 58.200 0.006 0.000 1.002 278 S CB -0.294 62.925 63.200 0.030 0.000 0.829 278 S HN 0.610 nan 8.310 nan 0.000 0.467 279 S N 1.184 116.886 115.700 0.003 0.000 2.368 279 S HA -0.012 4.554 4.470 0.160 0.000 0.225 279 S C 2.209 176.810 174.600 0.000 0.000 1.030 279 S CA 1.135 59.335 58.200 0.000 0.000 0.999 279 S CB -0.648 62.545 63.200 -0.011 0.000 0.844 279 S HN 0.716 nan 8.310 nan 0.000 0.459 280 A N 1.149 123.961 122.820 -0.012 0.000 1.969 280 A HA 0.043 4.459 4.320 0.160 0.000 0.218 280 A C 2.076 179.663 177.584 0.005 0.000 1.169 280 A CA 1.000 53.031 52.037 -0.011 0.000 0.635 280 A CB -0.585 18.397 19.000 -0.029 0.000 0.810 280 A HN 0.457 nan 8.150 nan 0.000 0.445 281 L N -0.713 120.510 121.223 -0.000 0.000 2.072 281 L HA -0.135 4.301 4.340 0.160 0.000 0.205 281 L C 2.634 179.535 176.870 0.052 0.000 1.079 281 L CA 1.580 56.421 54.840 0.002 0.000 0.752 281 L CB -0.507 41.532 42.059 -0.034 0.000 0.906 281 L HN 0.391 nan 8.230 nan 0.000 0.436 282 K N 0.702 121.150 120.400 0.081 0.000 2.032 282 K HA -0.176 4.240 4.320 0.160 0.000 0.209 282 K C 2.029 178.734 176.600 0.175 0.000 1.048 282 K CA 1.742 58.137 56.287 0.180 0.000 0.927 282 K CB -0.147 32.437 32.500 0.140 0.000 0.712 282 K HN 0.105 nan 8.250 nan 0.000 0.441 283 V N 1.384 121.345 119.914 0.080 0.000 2.287 283 V HA -0.341 3.875 4.120 0.160 0.000 0.248 283 V C 2.727 178.864 176.094 0.071 0.000 1.053 283 V CA 1.974 64.306 62.300 0.053 0.000 1.027 283 V CB -0.759 31.073 31.823 0.016 0.000 0.646 283 V HN 0.595 nan 8.190 nan 0.000 0.447 284 C N 0.234 119.576 119.300 0.069 0.000 2.393 284 C HA -0.236 4.320 4.460 0.160 0.000 0.276 284 C C 2.841 177.889 174.990 0.096 0.000 1.215 284 C CA 1.547 60.610 59.018 0.076 0.000 1.743 284 C CB -0.913 26.893 27.740 0.110 0.000 2.044 284 C HN 0.541 nan 8.230 nan 0.000 0.464 285 M N 0.398 120.073 119.600 0.125 0.000 2.279 285 M HA -0.039 4.537 4.480 0.160 0.000 0.264 285 M C 1.866 178.256 176.300 0.150 0.000 1.062 285 M CA 1.413 56.768 55.300 0.091 0.000 1.099 285 M CB -1.263 31.334 32.600 -0.004 0.000 1.394 285 M HN 0.478 nan 8.290 nan 0.000 0.426 286 I N 0.453 121.186 120.570 0.271 0.000 2.163 286 I HA -0.322 3.944 4.170 0.160 0.000 0.240 286 I C 2.109 178.283 176.117 0.095 0.000 1.081 286 I CA 0.978 62.443 61.300 0.275 0.000 1.353 286 I CB -0.506 37.573 38.000 0.132 0.000 1.054 286 I HN 0.318 nan 8.210 nan 0.000 0.407 287 N N 0.775 119.490 118.700 0.026 0.000 2.043 287 N HA -0.184 4.652 4.740 0.160 0.000 0.193 287 N C 1.814 177.249 175.510 -0.124 0.000 1.037 287 N CA 1.432 54.451 53.050 -0.052 0.000 0.851 287 N CB -0.406 38.038 38.487 -0.071 0.000 1.027 287 N HN 0.215 nan 8.380 nan 0.000 0.422 288 M N 0.812 120.334 119.600 -0.130 0.000 2.195 288 M HA -0.064 4.512 4.480 0.160 0.000 0.260 288 M C 2.254 178.417 176.300 -0.229 0.000 1.066 288 M CA 0.930 56.093 55.300 -0.227 0.000 1.089 288 M CB -1.333 31.164 32.600 -0.171 0.000 1.377 288 M HN 0.101 nan 8.290 nan 0.000 0.411 289 S N -0.152 115.466 115.700 -0.136 0.000 2.371 289 S HA -0.100 4.466 4.470 0.160 0.000 0.224 289 S C 2.032 176.573 174.600 -0.098 0.000 1.029 289 S CA 0.960 59.080 58.200 -0.134 0.000 0.978 289 S CB -0.042 63.130 63.200 -0.047 0.000 0.833 289 S HN 0.316 nan 8.310 nan 0.000 0.466 290 K N 1.379 121.739 120.400 -0.067 0.000 2.063 290 K HA -0.076 4.340 4.320 0.160 0.000 0.208 290 K C 1.994 178.502 176.600 -0.154 0.000 1.048 290 K CA 1.597 57.844 56.287 -0.066 0.000 0.928 290 K CB -0.688 31.783 32.500 -0.047 0.000 0.713 290 K HN 0.506 nan 8.250 nan 0.000 0.442 291 I N 0.948 121.347 120.570 -0.285 0.000 2.286 291 I HA -0.271 3.995 4.170 0.160 0.000 0.248 291 I C 2.504 178.410 176.117 -0.353 0.000 1.115 291 I CA 1.212 62.194 61.300 -0.529 0.000 1.392 291 I CB -0.363 37.204 38.000 -0.721 0.000 1.065 291 I HN 0.171 nan 8.210 nan 0.000 0.418 292 A N 1.048 123.717 122.820 -0.251 0.000 1.898 292 A HA -0.184 4.232 4.320 0.160 0.000 0.216 292 A C 2.058 179.594 177.584 -0.080 0.000 1.181 292 A CA 1.640 53.584 52.037 -0.156 0.000 0.620 292 A CB -0.606 18.284 19.000 -0.183 0.000 0.819 292 A HN 0.407 nan 8.150 nan 0.000 0.442 293 N N 0.778 119.434 118.700 -0.073 0.000 2.104 293 N HA -0.156 4.680 4.740 0.160 0.000 0.190 293 N C 1.141 176.641 175.510 -0.016 0.000 1.024 293 N CA 1.680 54.717 53.050 -0.021 0.000 0.853 293 N CB -0.561 37.926 38.487 0.000 0.000 1.008 293 N HN 0.430 nan 8.380 nan 0.000 0.424 294 D N 0.740 121.113 120.400 -0.044 0.000 2.104 294 D HA -0.090 4.646 4.640 0.160 0.000 0.194 294 D C 2.046 178.355 176.300 0.016 0.000 0.994 294 D CA 0.444 54.439 54.000 -0.009 0.000 0.830 294 D CB -0.276 40.523 40.800 -0.002 0.000 0.959 294 D HN 0.044 nan 8.370 nan 0.000 0.452 295 L N 0.913 122.136 121.223 -0.001 0.000 2.012 295 L HA -0.130 4.306 4.340 0.160 0.000 0.210 295 L C 2.339 179.249 176.870 0.067 0.000 1.073 295 L CA 1.551 56.430 54.840 0.065 0.000 0.748 295 L CB -1.023 41.098 42.059 0.103 0.000 0.891 295 L HN 0.104 nan 8.230 nan 0.000 0.431 296 R N -0.821 119.708 120.500 0.047 0.000 2.120 296 R HA -0.128 4.309 4.340 0.160 0.000 0.234 296 R C 2.283 178.609 176.300 0.043 0.000 1.123 296 R CA 0.845 56.973 56.100 0.047 0.000 0.975 296 R CB -0.349 29.974 30.300 0.038 0.000 0.866 296 R HN 0.343 nan 8.270 nan 0.000 0.446 297 L N 0.245 121.490 121.223 0.037 0.000 2.072 297 L HA -0.064 4.372 4.340 0.160 0.000 0.205 297 L C 2.392 179.285 176.870 0.039 0.000 1.079 297 L CA 1.119 55.979 54.840 0.033 0.000 0.752 297 L CB -0.183 41.890 42.059 0.023 0.000 0.906 297 L HN 0.178 nan 8.230 nan 0.000 0.436 298 M N -1.011 118.619 119.600 0.050 0.000 2.630 298 M HA -0.045 4.531 4.480 0.160 0.000 0.254 298 M C 1.728 178.066 176.300 0.065 0.000 1.092 298 M CA 0.927 56.263 55.300 0.060 0.000 1.087 298 M CB -0.217 32.434 32.600 0.086 0.000 1.453 298 M HN 0.252 nan 8.290 nan 0.000 0.509 299 A N -0.036 122.821 122.820 0.061 0.000 2.343 299 A HA 0.176 4.592 4.320 0.160 0.000 0.223 299 A C 1.132 178.745 177.584 0.047 0.000 1.214 299 A CA -0.207 51.863 52.037 0.055 0.000 0.900 299 A CB -0.055 18.980 19.000 0.057 0.000 0.942 299 A HN 0.429 nan 8.150 nan 0.000 0.507 300 S N -0.717 115.012 115.700 0.047 0.000 2.569 300 S HA 0.508 5.074 4.470 0.160 0.000 0.274 300 S C 0.844 175.471 174.600 0.045 0.000 1.353 300 S CA 0.408 58.633 58.200 0.043 0.000 1.023 300 S CB 0.725 63.949 63.200 0.041 0.000 0.876 300 S HN 2.050 nan 8.310 nan 0.000 0.540 301 G N 1.314 110.137 108.800 0.039 0.000 2.301 301 G HA2 -0.024 4.032 3.960 0.160 0.000 0.194 301 G HA3 -0.024 4.032 3.960 0.160 0.000 0.194 301 G C -1.976 172.941 174.900 0.027 0.000 1.266 301 G CA -0.155 44.967 45.100 0.036 0.000 1.210 301 G HN 0.704 nan 8.290 nan 0.000 0.524 302 P HA 0.023 nan 4.420 nan 0.000 0.214 302 P C 1.567 178.879 177.300 0.019 0.000 1.162 302 P CA 1.029 64.141 63.100 0.020 0.000 0.871 302 P CB -0.054 31.653 31.700 0.011 0.000 0.783 303 R N 0.453 120.961 120.500 0.014 0.000 2.092 303 R HA 0.077 4.513 4.340 0.160 0.000 0.231 303 R C 1.987 178.298 176.300 0.019 0.000 1.119 303 R CA 1.480 57.586 56.100 0.011 0.000 0.970 303 R CB -1.422 28.881 30.300 0.006 0.000 0.864 303 R HN 0.221 nan 8.270 nan 0.000 0.440 304 A N 0.435 123.270 122.820 0.024 0.000 2.545 304 A HA 0.467 4.883 4.320 0.160 0.000 0.277 304 A C 0.592 178.201 177.584 0.041 0.000 1.301 304 A CA 0.238 52.293 52.037 0.030 0.000 0.935 304 A CB 0.222 19.236 19.000 0.023 0.000 1.093 304 A HN 0.298 nan 8.150 nan 0.000 0.519 305 G N -1.920 106.910 108.800 0.051 0.000 2.949 305 G HA2 0.463 4.519 3.960 0.160 0.000 0.285 305 G HA3 0.463 4.519 3.960 0.160 0.000 0.285 305 G C 0.294 175.252 174.900 0.097 0.000 1.395 305 G CA -0.498 44.639 45.100 0.062 0.000 0.901 305 G HN -0.100 nan 8.290 nan 0.000 0.519 306 L N 0.363 121.642 121.223 0.094 0.000 2.013 306 L HA 0.003 4.439 4.340 0.160 0.000 0.212 306 L C 2.181 179.163 176.870 0.185 0.000 1.073 306 L CA 2.154 57.074 54.840 0.133 0.000 0.753 306 L CB -1.137 40.953 42.059 0.052 0.000 0.890 306 L HN 0.725 nan 8.230 nan 0.000 0.432 307 S N -0.897 114.869 115.700 0.110 0.000 3.559 307 S HA -0.225 4.341 4.470 0.160 0.000 0.369 307 S C 1.393 176.054 174.600 0.102 0.000 0.987 307 S CA 0.795 59.048 58.200 0.088 0.000 1.187 307 S CB -0.908 62.330 63.200 0.064 0.000 0.914 307 S HN 0.598 nan 8.310 nan 0.000 0.480 308 E N -0.300 119.961 120.200 0.102 0.000 2.122 308 E HA 0.108 4.554 4.350 0.160 0.000 0.190 308 E C 1.114 177.723 176.600 0.015 0.000 0.977 308 E CA 1.262 57.712 56.400 0.084 0.000 0.820 308 E CB 0.189 29.929 29.700 0.068 0.000 0.770 308 E HN 0.882 nan 8.360 nan 0.000 0.462 309 I N -3.216 117.369 120.570 0.024 0.000 3.145 309 I HA 0.512 4.778 4.170 0.160 0.000 0.313 309 I C -0.750 175.379 176.117 0.021 0.000 1.122 309 I CA -1.297 60.003 61.300 0.000 0.000 0.987 309 I CB 2.182 40.205 38.000 0.039 0.000 1.236 309 I HN -0.394 nan 8.210 nan 0.000 0.453 310 V N 4.014 123.937 119.914 0.014 0.000 2.407 310 V HA 0.448 4.664 4.120 0.160 0.000 0.291 310 V C -0.019 176.089 176.094 0.023 0.000 1.018 310 V CA -0.451 61.860 62.300 0.018 0.000 0.842 310 V CB 1.544 33.371 31.823 0.007 0.000 0.996 310 V HN 0.488 nan 8.190 nan 0.000 0.426 311 L N 6.805 128.042 121.223 0.024 0.000 2.343 311 L HA 0.551 4.987 4.340 0.160 0.000 0.275 311 L C -1.992 174.874 176.870 -0.006 0.000 1.056 311 L CA -1.783 53.063 54.840 0.010 0.000 0.804 311 L CB 1.588 43.659 42.059 0.021 0.000 1.203 311 L HN 0.405 nan 8.230 nan 0.000 0.440 312 P HA 0.110 nan 4.420 nan 0.000 0.271 312 P C -0.681 176.608 177.300 -0.019 0.000 1.220 312 P CA -0.344 62.740 63.100 -0.027 0.000 0.768 312 P CB 0.986 32.658 31.700 -0.046 0.000 0.848 313 A N 4.489 127.303 122.820 -0.010 0.000 2.492 313 A HA 0.164 4.580 4.320 0.160 0.000 0.254 313 A C 1.160 178.741 177.584 -0.006 0.000 1.091 313 A CA -0.115 51.920 52.037 -0.004 0.000 0.768 313 A CB 0.050 19.049 19.000 -0.001 0.000 1.028 313 A HN 0.445 nan 8.150 nan 0.000 0.498 314 R N 0.931 121.431 120.500 -0.002 0.000 2.276 314 R HA 0.129 4.565 4.340 0.160 0.000 0.195 314 R C 0.221 176.524 176.300 0.005 0.000 0.908 314 R CA 0.351 56.450 56.100 -0.000 0.000 1.083 314 R CB -0.421 29.879 30.300 -0.000 0.000 1.182 314 R HN 0.800 nan 8.270 nan 0.000 0.608 315 Q N 2.590 122.395 119.800 0.008 0.000 2.235 315 Q HA 0.283 4.719 4.340 0.160 0.000 0.250 315 Q C -2.277 173.729 176.000 0.009 0.000 0.909 315 Q CA -2.000 53.810 55.803 0.011 0.000 0.910 315 Q CB 1.267 30.013 28.738 0.014 0.000 1.223 315 Q HN -0.033 nan 8.270 nan 0.000 0.432 316 P HA 0.117 nan 4.420 nan 0.000 0.271 316 P C -0.091 177.214 177.300 0.008 0.000 1.233 316 P CA -0.138 62.966 63.100 0.007 0.000 0.764 316 P CB 0.665 32.370 31.700 0.007 0.000 0.825 317 G N 2.839 111.644 108.800 0.008 0.000 2.750 317 G HA2 0.008 4.064 3.960 0.160 0.000 0.250 317 G HA3 0.008 4.064 3.960 0.160 0.000 0.250 317 G C 0.049 174.954 174.900 0.009 0.000 1.230 317 G CA -0.443 44.662 45.100 0.009 0.000 0.883 317 G HN 0.602 nan 8.290 nan 0.000 0.573 318 S N -0.509 115.196 115.700 0.009 0.000 2.673 318 S HA -0.051 4.515 4.470 0.160 0.000 0.308 318 S C 2.010 176.614 174.600 0.007 0.000 1.246 318 S CA 0.685 58.890 58.200 0.009 0.000 1.077 318 S CB 0.085 63.291 63.200 0.009 0.000 0.814 318 S HN 0.895 nan 8.310 nan 0.000 0.503 319 S N 4.138 119.842 115.700 0.007 0.000 2.429 319 S HA -0.232 4.335 4.470 0.160 0.000 0.251 319 S C 1.352 175.955 174.600 0.005 0.000 1.104 319 S CA 2.213 60.417 58.200 0.006 0.000 1.130 319 S CB -0.551 62.652 63.200 0.006 0.000 1.000 319 S HN 0.912 nan 8.310 nan 0.000 0.449 320 I N -2.853 117.720 120.570 0.005 0.000 4.442 320 I HA 0.444 4.710 4.170 0.160 0.000 0.331 320 I C 0.360 176.479 176.117 0.005 0.000 1.364 320 I CA -0.293 61.010 61.300 0.005 0.000 1.207 320 I CB 0.214 38.217 38.000 0.004 0.000 1.298 320 I HN 0.168 nan 8.210 nan 0.000 0.463 321 M N 6.018 125.621 119.600 0.006 0.000 2.111 321 M HA 0.507 5.083 4.480 0.160 0.000 0.351 321 M C -2.548 173.756 176.300 0.006 0.000 1.214 321 M CA -1.706 53.597 55.300 0.006 0.000 1.120 321 M CB 0.938 33.542 32.600 0.007 0.000 1.443 321 M HN -0.104 nan 8.290 nan 0.000 0.429 322 P HA 0.304 nan 4.420 nan 0.000 0.274 322 P C 0.487 177.790 177.300 0.005 0.000 1.237 322 P CA 0.749 63.852 63.100 0.004 0.000 0.793 322 P CB 1.206 32.908 31.700 0.003 0.000 0.977 323 G N 1.074 109.878 108.800 0.006 0.000 2.336 323 G HA2 -0.253 3.803 3.960 0.160 0.000 0.233 323 G HA3 -0.253 3.803 3.960 0.160 0.000 0.233 323 G C 0.308 175.214 174.900 0.010 0.000 1.053 323 G CA 0.305 45.409 45.100 0.007 0.000 0.625 323 G HN 0.731 nan 8.290 nan 0.000 0.511 324 K N 1.010 121.417 120.400 0.011 0.000 2.292 324 K HA 0.526 4.942 4.320 0.160 0.000 0.290 324 K C -0.444 176.164 176.600 0.014 0.000 1.083 324 K CA -0.153 56.142 56.287 0.014 0.000 0.918 324 K CB 0.646 33.154 32.500 0.014 0.000 1.089 324 K HN 0.115 nan 8.250 nan 0.000 0.473 325 V N 5.615 125.539 119.914 0.016 0.000 2.320 325 V HA 0.125 4.341 4.120 0.160 0.000 0.268 325 V C -0.629 175.478 176.094 0.021 0.000 1.021 325 V CA -1.268 61.042 62.300 0.016 0.000 0.813 325 V CB 0.716 32.547 31.823 0.014 0.000 1.054 325 V HN 0.776 nan 8.190 nan 0.000 0.444 326 N N 5.862 124.575 118.700 0.022 0.000 2.412 326 N HA 0.115 4.951 4.740 0.160 0.000 0.254 326 N C -1.970 173.558 175.510 0.030 0.000 1.232 326 N CA -0.898 52.168 53.050 0.027 0.000 0.880 326 N CB 0.863 39.366 38.487 0.026 0.000 1.076 326 N HN 0.375 nan 8.380 nan 0.000 0.458 327 P HA 0.016 nan 4.420 nan 0.000 0.220 327 P C 1.266 178.597 177.300 0.053 0.000 1.806 327 P CA -0.210 62.919 63.100 0.047 0.000 0.976 327 P CB -0.198 31.535 31.700 0.056 0.000 1.952 328 V N -1.589 118.351 119.914 0.043 0.000 2.317 328 V HA -0.308 3.908 4.120 0.160 0.000 0.251 328 V C 2.070 178.202 176.094 0.063 0.000 1.065 328 V CA 1.743 64.070 62.300 0.044 0.000 1.049 328 V CB -1.466 30.378 31.823 0.034 0.000 0.651 328 V HN 0.079 nan 8.190 nan 0.000 0.450 329 M N 0.458 120.108 119.600 0.085 0.000 2.086 329 M HA 0.016 4.592 4.480 0.160 0.000 0.261 329 M C 0.431 176.870 176.300 0.232 0.000 1.067 329 M CA 1.842 57.236 55.300 0.157 0.000 1.116 329 M CB -2.732 29.948 32.600 0.134 0.000 1.348 329 M HN 0.347 nan 8.290 nan 0.000 0.407 330 P HA -0.123 nan 4.420 nan 0.000 0.218 330 P C 1.226 178.535 177.300 0.014 0.000 1.149 330 P CA 1.149 64.340 63.100 0.151 0.000 0.817 330 P CB -0.105 31.682 31.700 0.146 0.000 0.785 331 E N -0.633 119.583 120.200 0.026 0.000 2.028 331 E HA -0.120 4.326 4.350 0.160 0.000 0.191 331 E C 1.992 178.560 176.600 -0.053 0.000 0.988 331 E CA 0.940 57.332 56.400 -0.012 0.000 0.799 331 E CB -0.982 28.729 29.700 0.019 0.000 0.755 331 E HN 0.020 nan 8.360 nan 0.000 0.447 332 V N 1.266 121.171 119.914 -0.015 0.000 2.720 332 V HA -0.242 3.974 4.120 0.160 0.000 0.256 332 V C 2.146 178.186 176.094 -0.090 0.000 1.082 332 V CA 1.539 63.819 62.300 -0.033 0.000 1.101 332 V CB -0.136 31.696 31.823 0.014 0.000 0.693 332 V HN 0.247 nan 8.190 nan 0.000 0.479 333 M N 1.036 120.578 119.600 -0.098 0.000 2.123 333 M HA -0.105 4.471 4.480 0.160 0.000 0.263 333 M C 1.705 177.814 176.300 -0.318 0.000 1.069 333 M CA 2.430 57.623 55.300 -0.177 0.000 1.133 333 M CB -0.921 31.529 32.600 -0.249 0.000 1.356 333 M HN 0.458 nan 8.290 nan 0.000 0.415 334 N N -0.574 117.902 118.700 -0.372 0.000 2.104 334 N HA -0.207 4.629 4.740 0.160 0.000 0.190 334 N C 1.703 176.499 175.510 -1.191 0.000 1.024 334 N CA 1.790 54.428 53.050 -0.686 0.000 0.853 334 N CB -0.177 38.017 38.487 -0.489 0.000 1.008 334 N HN 0.558 nan 8.380 nan 0.000 0.424 335 Q N 0.142 119.542 119.800 -0.666 0.000 2.079 335 Q HA -0.076 4.361 4.340 0.160 0.000 0.200 335 Q C 2.104 177.878 176.000 -0.378 0.000 0.974 335 Q CA 1.046 56.574 55.803 -0.459 0.000 0.840 335 Q CB -0.019 28.646 28.738 -0.121 0.000 0.898 335 Q HN 0.238 nan 8.270 nan 0.000 0.430 336 V N 1.168 120.889 119.914 -0.322 0.000 2.407 336 V HA -0.294 3.922 4.120 0.160 0.000 0.248 336 V C 2.300 178.175 176.094 -0.365 0.000 1.055 336 V CA 1.778 63.925 62.300 -0.254 0.000 1.049 336 V CB -0.990 30.718 31.823 -0.191 0.000 0.662 336 V HN 0.395 nan 8.190 nan 0.000 0.455 337 A N -0.368 122.123 122.820 -0.549 0.000 1.940 337 A HA -0.201 4.215 4.320 0.160 0.000 0.219 337 A C 2.120 179.058 177.584 -1.077 0.000 1.176 337 A CA 1.894 53.471 52.037 -0.766 0.000 0.631 337 A CB -0.738 17.811 19.000 -0.752 0.000 0.814 337 A HN 0.561 nan 8.150 nan 0.000 0.446 338 F N -0.817 118.733 119.950 -0.666 0.000 2.186 338 F HA -0.187 4.434 4.527 0.158 0.000 0.299 338 F C 2.914 178.566 175.800 -0.247 0.000 1.090 338 F CA 0.717 58.448 58.000 -0.450 0.000 1.307 338 F CB -0.176 38.727 39.000 -0.162 0.000 1.019 338 F HN 0.198 nan 8.300 nan 0.000 0.489 339 Q N 0.571 120.346 119.800 -0.042 0.000 2.050 339 Q HA -0.152 4.284 4.340 0.160 0.000 0.202 339 Q C 2.545 178.526 176.000 -0.031 0.000 0.980 339 Q CA 1.398 57.188 55.803 -0.022 0.000 0.840 339 Q CB -0.711 27.990 28.738 -0.061 0.000 0.898 339 Q HN 0.294 nan 8.270 nan 0.000 0.424 340 V N 0.799 120.647 119.914 -0.110 0.000 2.490 340 V HA -0.222 3.994 4.120 0.160 0.000 0.250 340 V C 2.103 178.289 176.094 0.154 0.000 1.061 340 V CA 1.323 63.602 62.300 -0.034 0.000 1.064 340 V CB -0.712 31.060 31.823 -0.084 0.000 0.670 340 V HN 0.161 nan 8.190 nan 0.000 0.461 341 F N 1.533 121.514 119.950 0.053 0.000 2.146 341 F HA 0.000 4.625 4.527 0.163 0.000 0.298 341 F C 2.435 178.257 175.800 0.037 0.000 1.096 341 F CA 1.120 59.152 58.000 0.053 0.000 1.275 341 F CB -1.673 37.381 39.000 0.090 0.000 1.008 341 F HN 0.223 nan 8.300 nan 0.000 0.480 342 G N -0.263 108.679 108.800 0.235 0.000 2.402 342 G HA2 -0.241 3.815 3.960 0.160 0.000 0.216 342 G HA3 -0.241 3.815 3.960 0.160 0.000 0.216 342 G C 1.598 176.558 174.900 0.099 0.000 1.162 342 G CA 0.698 45.881 45.100 0.139 0.000 0.777 342 G HN 0.243 nan 8.290 nan 0.000 0.539 343 N N 0.955 119.702 118.700 0.078 0.000 2.149 343 N HA -0.094 4.742 4.740 0.160 0.000 0.188 343 N C 1.763 177.305 175.510 0.053 0.000 1.019 343 N CA 1.167 54.241 53.050 0.041 0.000 0.857 343 N CB -0.302 38.178 38.487 -0.012 0.000 0.997 343 N HN 0.390 nan 8.380 nan 0.000 0.426 344 D N 0.297 120.744 120.400 0.078 0.000 2.219 344 D HA -0.109 4.627 4.640 0.160 0.000 0.205 344 D C 1.890 178.223 176.300 0.055 0.000 0.970 344 D CA 0.362 54.403 54.000 0.068 0.000 0.851 344 D CB 0.155 41.006 40.800 0.085 0.000 0.943 344 D HN 0.250 nan 8.370 nan 0.000 0.488 345 L N 0.314 121.573 121.223 0.061 0.000 2.109 345 L HA -0.099 4.337 4.340 0.160 0.000 0.207 345 L C 2.395 179.291 176.870 0.043 0.000 1.086 345 L CA 1.048 55.914 54.840 0.045 0.000 0.760 345 L CB -0.347 41.739 42.059 0.046 0.000 0.910 345 L HN -0.020 nan 8.230 nan 0.000 0.437 346 T N 0.401 114.987 114.554 0.053 0.000 2.708 346 T HA -0.189 4.257 4.350 0.160 0.000 0.266 346 T C 1.856 176.584 174.700 0.046 0.000 1.037 346 T CA 1.874 64.006 62.100 0.054 0.000 1.146 346 T CB -0.238 68.674 68.868 0.074 0.000 0.865 346 T HN 0.260 nan 8.240 nan 0.000 0.435 347 I N 0.976 121.575 120.570 0.049 0.000 2.226 347 I HA -0.202 4.064 4.170 0.160 0.000 0.245 347 I C 2.738 178.884 176.117 0.048 0.000 1.100 347 I CA 1.152 62.483 61.300 0.052 0.000 1.374 347 I CB -0.713 37.324 38.000 0.061 0.000 1.057 347 I HN 0.260 nan 8.210 nan 0.000 0.413 348 T N 0.149 114.728 114.554 0.041 0.000 2.607 348 T HA -0.199 4.247 4.350 0.160 0.000 0.267 348 T C 2.133 176.849 174.700 0.026 0.000 1.049 348 T CA 2.050 64.170 62.100 0.032 0.000 1.162 348 T CB -0.258 68.623 68.868 0.022 0.000 0.863 348 T HN 0.288 nan 8.240 nan 0.000 0.424 349 S N 1.187 116.901 115.700 0.022 0.000 2.370 349 S HA -0.082 4.484 4.470 0.160 0.000 0.226 349 S C 2.509 177.116 174.600 0.011 0.000 1.033 349 S CA 1.085 59.294 58.200 0.015 0.000 1.011 349 S CB -0.554 62.656 63.200 0.016 0.000 0.852 349 S HN 0.597 nan 8.310 nan 0.000 0.457 350 A N 0.541 123.368 122.820 0.011 0.000 1.969 350 A HA -0.026 4.390 4.320 0.160 0.000 0.218 350 A C 2.247 179.830 177.584 -0.001 0.000 1.169 350 A CA 1.726 53.760 52.037 -0.006 0.000 0.635 350 A CB -0.797 18.190 19.000 -0.022 0.000 0.810 350 A HN 0.461 nan 8.150 nan 0.000 0.445 351 S N 0.210 115.924 115.700 0.024 0.000 2.355 351 S HA -0.195 4.371 4.470 0.160 0.000 0.222 351 S C 2.002 176.620 174.600 0.030 0.000 1.031 351 S CA 1.722 59.951 58.200 0.048 0.000 0.993 351 S CB -0.333 62.913 63.200 0.077 0.000 0.859 351 S HN 0.762 nan 8.310 nan 0.000 0.453 352 E N 1.044 121.255 120.200 0.017 0.000 2.347 352 E HA 0.162 4.608 4.350 0.160 0.000 0.196 352 E C 1.479 178.075 176.600 -0.006 0.000 1.008 352 E CA 1.107 57.509 56.400 0.003 0.000 0.852 352 E CB -0.529 29.171 29.700 -0.000 0.000 0.783 352 E HN 0.467 nan 8.360 nan 0.000 0.505 353 A N 0.989 123.807 122.820 -0.004 0.000 2.235 353 A HA 0.267 4.683 4.320 0.160 0.000 0.208 353 A C 1.405 178.983 177.584 -0.009 0.000 1.172 353 A CA 0.359 52.391 52.037 -0.009 0.000 0.786 353 A CB -0.904 18.091 19.000 -0.008 0.000 0.804 353 A HN 0.342 nan 8.150 nan 0.000 0.479 354 G N -0.681 108.116 108.800 -0.005 0.000 2.559 354 G HA2 0.381 4.437 3.960 0.160 0.000 0.235 354 G HA3 0.381 4.437 3.960 0.160 0.000 0.235 354 G C -0.260 174.625 174.900 -0.025 0.000 1.266 354 G CA -0.069 45.032 45.100 0.001 0.000 0.847 354 G HN 0.517 nan 8.290 nan 0.000 0.583 355 Q N 0.095 119.894 119.800 -0.001 0.000 2.289 355 Q HA 0.446 4.882 4.340 0.160 0.000 0.270 355 Q C -0.268 175.777 176.000 0.075 0.000 1.038 355 Q CA -0.804 54.981 55.803 -0.030 0.000 0.812 355 Q CB 2.060 30.832 28.738 0.057 0.000 1.300 355 Q HN 0.473 nan 8.270 nan 0.000 0.427 356 F N 0.794 120.758 119.950 0.023 0.000 3.103 356 F HA -0.463 4.160 4.527 0.160 0.000 0.250 356 F C 1.799 177.620 175.800 0.034 0.000 1.486 356 F CA 2.077 60.093 58.000 0.026 0.000 1.817 356 F CB -0.644 38.370 39.000 0.024 0.000 0.525 356 F HN 0.650 nan 8.300 nan 0.000 0.320 357 E N 0.901 121.277 120.200 0.294 0.000 2.502 357 E HA 0.288 4.734 4.350 0.160 0.000 0.194 357 E C 0.038 176.720 176.600 0.137 0.000 1.062 357 E CA 0.578 57.081 56.400 0.173 0.000 0.867 357 E CB 0.092 29.873 29.700 0.135 0.000 0.888 357 E HN 0.410 nan 8.360 nan 0.000 0.510 358 L N 1.084 122.388 121.223 0.136 0.000 2.565 358 L HA 0.362 4.798 4.340 0.160 0.000 0.261 358 L C -1.637 175.287 176.870 0.090 0.000 0.932 358 L CA -0.495 54.411 54.840 0.111 0.000 0.878 358 L CB 2.253 44.373 42.059 0.101 0.000 1.333 358 L HN -0.237 nan 8.230 nan 0.000 0.409 359 N N 3.506 122.254 118.700 0.080 0.000 2.500 359 N HA 0.168 5.004 4.740 0.160 0.000 0.236 359 N C 0.810 176.328 175.510 0.013 0.000 1.022 359 N CA 0.091 53.168 53.050 0.044 0.000 0.935 359 N CB 1.506 40.022 38.487 0.047 0.000 1.147 359 N HN 0.652 nan 8.380 nan 0.000 0.512 360 V N 1.891 121.808 119.914 0.005 0.000 3.380 360 V HA 0.036 4.252 4.120 0.160 0.000 0.268 360 V C 1.403 177.455 176.094 -0.069 0.000 1.168 360 V CA 0.807 63.095 62.300 -0.019 0.000 1.156 360 V CB -0.461 31.358 31.823 -0.006 0.000 0.785 360 V HN 0.480 nan 8.190 nan 0.000 0.487 361 M N 0.152 119.704 119.600 -0.080 0.000 2.505 361 M HA 0.269 4.845 4.480 0.160 0.000 0.230 361 M C 1.556 177.737 176.300 -0.198 0.000 1.153 361 M CA 0.119 55.354 55.300 -0.109 0.000 0.997 361 M CB -0.671 31.888 32.600 -0.068 0.000 1.606 361 M HN 0.526 nan 8.290 nan 0.000 0.481 362 E N 1.418 121.438 120.200 -0.301 0.000 2.118 362 E HA -0.165 4.281 4.350 0.160 0.000 0.195 362 E C -0.715 175.410 176.600 -0.791 0.000 0.992 362 E CA 1.165 57.118 56.400 -0.745 0.000 0.804 362 E CB -0.986 28.146 29.700 -0.946 0.000 0.741 362 E HN 0.400 nan 8.360 nan 0.000 0.458 363 P HA -0.193 nan 4.420 nan 0.000 0.215 363 P C 1.841 179.145 177.300 0.007 0.000 1.157 363 P CA 1.119 64.182 63.100 -0.061 0.000 0.874 363 P CB -0.093 31.550 31.700 -0.096 0.000 0.790 364 V N -0.129 119.763 119.914 -0.037 0.000 2.407 364 V HA -0.186 4.030 4.120 0.160 0.000 0.248 364 V C 2.625 178.798 176.094 0.131 0.000 1.055 364 V CA 1.243 63.596 62.300 0.088 0.000 1.049 364 V CB -1.151 30.690 31.823 0.030 0.000 0.662 364 V HN -0.042 nan 8.190 nan 0.000 0.455 365 L N -1.088 120.120 121.223 -0.026 0.000 1.994 365 L HA -0.137 4.299 4.340 0.160 0.000 0.208 365 L C 2.465 179.419 176.870 0.140 0.000 1.071 365 L CA 2.145 56.981 54.840 -0.005 0.000 0.745 365 L CB -0.449 41.525 42.059 -0.143 0.000 0.892 365 L HN 0.304 nan 8.230 nan 0.000 0.431 366 F N -0.476 119.423 119.950 -0.084 0.000 2.134 366 F HA -0.252 4.368 4.527 0.155 0.000 0.299 366 F C 2.409 178.217 175.800 0.015 0.000 1.097 366 F CA 0.834 58.765 58.000 -0.115 0.000 1.264 366 F CB -1.586 37.325 39.000 -0.150 0.000 1.001 366 F HN 0.162 nan 8.300 nan 0.000 0.479 367 F N 1.631 121.688 119.950 0.177 0.000 2.091 367 F HA -0.272 4.330 4.527 0.124 0.000 0.299 367 F C 1.987 177.840 175.800 0.087 0.000 1.103 367 F CA 2.020 60.098 58.000 0.129 0.000 1.228 367 F CB -0.984 38.086 39.000 0.117 0.000 0.984 367 F HN -0.071 nan 8.300 nan 0.000 0.477 368 N N 0.421 119.031 118.700 -0.150 0.000 2.171 368 N HA -0.126 4.710 4.740 0.160 0.000 0.184 368 N C 2.114 177.518 175.510 -0.176 0.000 1.021 368 N CA 1.194 54.089 53.050 -0.258 0.000 0.854 368 N CB -0.415 38.045 38.487 -0.045 0.000 0.994 368 N HN 0.362 nan 8.380 nan 0.000 0.426 369 L N 0.785 121.968 121.223 -0.065 0.000 1.970 369 L HA -0.174 4.263 4.340 0.160 0.000 0.212 369 L C 1.819 178.614 176.870 -0.125 0.000 1.071 369 L CA 1.551 56.354 54.840 -0.061 0.000 0.751 369 L CB -0.385 41.669 42.059 -0.010 0.000 0.889 369 L HN 0.235 nan 8.230 nan 0.000 0.432 370 I N -0.281 120.208 120.570 -0.135 0.000 2.163 370 I HA -0.399 3.867 4.170 0.160 0.000 0.243 370 I C 2.667 178.660 176.117 -0.206 0.000 1.085 370 I CA 1.711 62.901 61.300 -0.184 0.000 1.347 370 I CB -0.410 37.499 38.000 -0.150 0.000 1.044 370 I HN 0.493 nan 8.210 nan 0.000 0.408 371 Q N 0.763 120.407 119.800 -0.261 0.000 2.152 371 Q HA -0.226 4.210 4.340 0.160 0.000 0.206 371 Q C 2.220 178.094 176.000 -0.209 0.000 0.985 371 Q CA 2.329 57.966 55.803 -0.276 0.000 0.863 371 Q CB 0.025 28.478 28.738 -0.476 0.000 0.904 371 Q HN 0.443 nan 8.270 nan 0.000 0.422 372 S N 0.581 116.165 115.700 -0.194 0.000 2.348 372 S HA -0.122 4.444 4.470 0.160 0.000 0.221 372 S C 1.858 176.343 174.600 -0.191 0.000 1.033 372 S CA 1.384 59.482 58.200 -0.169 0.000 1.010 372 S CB -0.284 62.839 63.200 -0.128 0.000 0.891 372 S HN 0.409 nan 8.310 nan 0.000 0.442 373 I N 1.240 121.700 120.570 -0.183 0.000 2.335 373 I HA -0.186 4.080 4.170 0.160 0.000 0.251 373 I C 2.611 178.612 176.117 -0.195 0.000 1.129 373 I CA 1.069 62.253 61.300 -0.194 0.000 1.402 373 I CB -0.308 37.583 38.000 -0.182 0.000 1.069 373 I HN 0.289 nan 8.210 nan 0.000 0.424 374 S N 1.345 116.944 115.700 -0.169 0.000 2.348 374 S HA -0.105 4.461 4.470 0.160 0.000 0.219 374 S C 2.120 176.650 174.600 -0.116 0.000 1.033 374 S CA 1.184 59.322 58.200 -0.104 0.000 0.974 374 S CB -0.291 62.897 63.200 -0.020 0.000 0.868 374 S HN 0.528 nan 8.310 nan 0.000 0.459 375 I N -1.113 119.373 120.570 -0.140 0.000 2.614 375 I HA -0.055 4.211 4.170 0.160 0.000 0.258 375 I C 2.296 178.289 176.117 -0.208 0.000 1.189 375 I CA 1.284 62.500 61.300 -0.141 0.000 1.462 375 I CB -0.420 37.499 38.000 -0.135 0.000 1.092 375 I HN 0.308 nan 8.210 nan 0.000 0.442 376 M N 1.139 120.547 119.600 -0.320 0.000 2.123 376 M HA -0.104 4.472 4.480 0.160 0.000 0.263 376 M C 2.310 178.174 176.300 -0.728 0.000 1.069 376 M CA 2.089 57.019 55.300 -0.617 0.000 1.133 376 M CB -0.423 31.751 32.600 -0.710 0.000 1.356 376 M HN 0.239 nan 8.290 nan 0.000 0.415 377 T N 0.689 114.986 114.554 -0.429 0.000 2.720 377 T HA -0.124 4.322 4.350 0.160 0.000 0.268 377 T C 1.458 176.128 174.700 -0.049 0.000 1.037 377 T CA 1.503 63.480 62.100 -0.205 0.000 1.144 377 T CB -0.423 68.384 68.868 -0.102 0.000 0.864 377 T HN 0.311 nan 8.240 nan 0.000 0.444 378 N N 0.936 119.599 118.700 -0.062 0.000 2.166 378 N HA -0.082 4.754 4.740 0.160 0.000 0.186 378 N C 2.021 177.571 175.510 0.066 0.000 1.019 378 N CA 1.281 54.335 53.050 0.006 0.000 0.856 378 N CB -0.529 37.947 38.487 -0.017 0.000 0.993 378 N HN 0.477 nan 8.380 nan 0.000 0.426 379 V N -2.618 117.338 119.914 0.069 0.000 2.649 379 V HA 0.057 4.273 4.120 0.160 0.000 0.248 379 V C 1.834 178.148 176.094 0.367 0.000 1.054 379 V CA 0.849 63.252 62.300 0.173 0.000 1.073 379 V CB -0.849 31.048 31.823 0.124 0.000 0.699 379 V HN -0.093 nan 8.190 nan 0.000 0.463 380 F N 2.388 122.385 119.950 0.079 0.000 2.095 380 F HA -0.026 4.600 4.527 0.165 0.000 0.298 380 F C 2.865 178.788 175.800 0.205 0.000 1.104 380 F CA 1.860 59.942 58.000 0.137 0.000 1.232 380 F CB -1.359 37.697 39.000 0.094 0.000 0.987 380 F HN 0.369 nan 8.300 nan 0.000 0.475 381 K N -0.293 120.317 120.400 0.349 0.000 1.984 381 K HA -0.142 4.274 4.320 0.160 0.000 0.209 381 K C 2.432 179.158 176.600 0.209 0.000 1.046 381 K CA 1.644 58.083 56.287 0.254 0.000 0.934 381 K CB -1.546 31.052 32.500 0.163 0.000 0.717 381 K HN 0.212 nan 8.250 nan 0.000 0.438 382 S N -0.513 115.294 115.700 0.179 0.000 2.370 382 S HA -0.128 4.438 4.470 0.160 0.000 0.226 382 S C 1.806 176.488 174.600 0.137 0.000 1.033 382 S CA 1.715 59.994 58.200 0.132 0.000 1.011 382 S CB -0.509 62.759 63.200 0.113 0.000 0.852 382 S HN 0.573 nan 8.310 nan 0.000 0.457 383 F N 2.290 122.283 119.950 0.071 0.000 2.186 383 F HA -0.085 4.537 4.527 0.158 0.000 0.299 383 F C 2.533 178.335 175.800 0.004 0.000 1.090 383 F CA 2.071 60.094 58.000 0.038 0.000 1.307 383 F CB -0.891 38.136 39.000 0.046 0.000 1.019 383 F HN 0.384 nan 8.300 nan 0.000 0.489 384 T N -2.625 111.941 114.554 0.020 0.000 2.857 384 T HA -0.098 4.348 4.350 0.160 0.000 0.266 384 T C 1.750 176.358 174.700 -0.152 0.000 1.048 384 T CA 1.333 63.351 62.100 -0.135 0.000 1.139 384 T CB -0.414 68.480 68.868 0.042 0.000 0.874 384 T HN 0.201 nan 8.240 nan 0.000 0.455 385 E N 1.794 121.980 120.200 -0.023 0.000 2.112 385 E HA 0.080 4.527 4.350 0.160 0.000 0.190 385 E C 1.485 178.041 176.600 -0.073 0.000 0.979 385 E CA 0.691 57.086 56.400 -0.008 0.000 0.814 385 E CB -0.136 29.596 29.700 0.054 0.000 0.762 385 E HN 0.498 nan 8.360 nan 0.000 0.460 386 N N -1.110 117.530 118.700 -0.100 0.000 2.251 386 N HA 0.081 4.918 4.740 0.160 0.000 0.217 386 N C 0.268 175.669 175.510 -0.181 0.000 1.124 386 N CA 0.144 53.132 53.050 -0.104 0.000 0.843 386 N CB 0.914 39.372 38.487 -0.047 0.000 1.024 386 N HN 0.151 nan 8.380 nan 0.000 0.501 387 C N -1.375 117.731 119.300 -0.324 0.000 3.269 387 C HA 0.160 4.716 4.460 0.160 0.000 0.227 387 C C 2.082 176.802 174.990 -0.450 0.000 2.518 387 C CA -0.081 58.695 59.018 -0.405 0.000 1.174 387 C CB -0.706 26.665 27.740 -0.616 0.000 1.363 387 C HN 0.183 nan 8.230 nan 0.000 0.689 388 L N 2.832 123.592 121.223 -0.773 0.000 2.030 388 L HA -0.198 4.238 4.340 0.160 0.000 0.222 388 L C 2.272 178.935 176.870 -0.346 0.000 1.082 388 L CA 2.757 57.254 54.840 -0.571 0.000 0.785 388 L CB -0.809 40.855 42.059 -0.658 0.000 0.895 388 L HN 0.523 nan 8.230 nan 0.000 0.439 389 K N -1.150 119.071 120.400 -0.299 0.000 2.097 389 K HA -0.078 4.338 4.320 0.160 0.000 0.206 389 K C 1.647 178.147 176.600 -0.167 0.000 1.049 389 K CA 1.188 57.346 56.287 -0.216 0.000 0.933 389 K CB -0.511 31.894 32.500 -0.157 0.000 0.717 389 K HN 0.590 nan 8.250 nan 0.000 0.442 390 G N 0.609 109.322 108.800 -0.145 0.000 3.284 390 G HA2 0.129 4.185 3.960 0.160 0.000 0.236 390 G HA3 0.129 4.185 3.960 0.160 0.000 0.236 390 G C 0.343 175.210 174.900 -0.055 0.000 1.158 390 G CA -0.417 44.628 45.100 -0.092 0.000 0.774 390 G HN 0.063 nan 8.290 nan 0.000 0.545 391 I N 1.733 122.271 120.570 -0.052 0.000 2.662 391 I HA 0.261 4.527 4.170 0.160 0.000 0.285 391 I C 0.927 177.120 176.117 0.128 0.000 1.161 391 I CA 0.143 61.467 61.300 0.040 0.000 1.415 391 I CB 0.378 38.439 38.000 0.102 0.000 1.385 391 I HN 0.147 nan 8.210 nan 0.000 0.552 392 K N 5.258 125.709 120.400 0.086 0.000 2.185 392 K HA 0.911 5.327 4.320 0.160 0.000 0.240 392 K C -0.500 176.091 176.600 -0.015 0.000 0.983 392 K CA -0.385 55.955 56.287 0.088 0.000 0.873 392 K CB 1.750 34.273 32.500 0.037 0.000 1.118 392 K HN 0.769 nan 8.250 nan 0.000 0.441 393 A N 0.986 123.758 122.820 -0.080 0.000 2.337 393 A HA 0.633 5.049 4.320 0.160 0.000 0.331 393 A C -0.602 176.921 177.584 -0.102 0.000 1.137 393 A CA -0.746 51.157 52.037 -0.224 0.000 0.807 393 A CB 0.854 19.557 19.000 -0.494 0.000 1.250 393 A HN 0.654 nan 8.150 nan 0.000 0.468 394 N N 1.403 120.052 118.700 -0.086 0.000 3.301 394 N HA 0.121 4.957 4.740 0.160 0.000 0.289 394 N C 0.594 176.079 175.510 -0.043 0.000 1.343 394 N CA -0.015 53.008 53.050 -0.045 0.000 1.136 394 N CB 0.757 39.230 38.487 -0.023 0.000 1.402 394 N HN 0.767 nan 8.380 nan 0.000 0.516 395 E N 0.414 120.585 120.200 -0.047 0.000 2.136 395 E HA -0.244 4.202 4.350 0.160 0.000 0.202 395 E C 0.860 177.448 176.600 -0.020 0.000 1.019 395 E CA 1.258 57.639 56.400 -0.031 0.000 0.819 395 E CB 0.305 29.996 29.700 -0.016 0.000 0.739 395 E HN 0.401 nan 8.360 nan 0.000 0.458 396 E N 0.528 120.711 120.200 -0.028 0.000 2.031 396 E HA -0.182 4.264 4.350 0.160 0.000 0.193 396 E C 2.044 178.604 176.600 -0.066 0.000 0.994 396 E CA 0.849 57.226 56.400 -0.039 0.000 0.800 396 E CB -0.332 29.343 29.700 -0.042 0.000 0.752 396 E HN 0.036 nan 8.360 nan 0.000 0.447 397 R N 0.910 121.360 120.500 -0.082 0.000 2.096 397 R HA -0.054 4.382 4.340 0.160 0.000 0.240 397 R C 2.337 178.548 176.300 -0.148 0.000 1.139 397 R CA 1.721 57.720 56.100 -0.167 0.000 0.952 397 R CB -0.529 29.703 30.300 -0.113 0.000 0.854 397 R HN 0.191 nan 8.270 nan 0.000 0.436 398 M N -0.250 119.380 119.600 0.050 0.000 2.229 398 M HA -0.095 4.481 4.480 0.160 0.000 0.264 398 M C 2.167 178.541 176.300 0.124 0.000 1.063 398 M CA 1.526 56.952 55.300 0.210 0.000 1.114 398 M CB -0.208 32.466 32.600 0.123 0.000 1.387 398 M HN 0.067 nan 8.290 nan 0.000 0.420 399 K N 0.932 121.353 120.400 0.034 0.000 2.009 399 K HA -0.213 4.203 4.320 0.160 0.000 0.210 399 K C 1.838 178.446 176.600 0.013 0.000 1.049 399 K CA 2.061 58.361 56.287 0.021 0.000 0.929 399 K CB -0.157 32.342 32.500 -0.002 0.000 0.714 399 K HN 0.513 nan 8.250 nan 0.000 0.440 400 E N -0.607 119.568 120.200 -0.042 0.000 2.204 400 E HA -0.208 4.238 4.350 0.160 0.000 0.194 400 E C 1.613 178.200 176.600 -0.022 0.000 0.989 400 E CA 0.983 57.344 56.400 -0.065 0.000 0.824 400 E CB -0.335 29.283 29.700 -0.137 0.000 0.756 400 E HN 0.263 nan 8.360 nan 0.000 0.477 401 Y N 1.393 121.687 120.300 -0.010 0.000 2.145 401 Y HA -0.169 4.477 4.550 0.160 0.000 0.286 401 Y C 2.460 178.356 175.900 -0.006 0.000 1.145 401 Y CA 0.898 58.993 58.100 -0.007 0.000 1.148 401 Y CB -0.490 37.965 38.460 -0.008 0.000 0.981 401 Y HN -0.049 nan 8.280 nan 0.000 0.507 402 V N -0.186 119.829 119.914 0.168 0.000 2.427 402 V HA -0.211 4.005 4.120 0.160 0.000 0.248 402 V C 2.232 178.360 176.094 0.057 0.000 1.051 402 V CA 1.791 64.143 62.300 0.086 0.000 1.048 402 V CB -0.407 31.450 31.823 0.055 0.000 0.666 402 V HN 0.333 nan 8.190 nan 0.000 0.456 403 E N 0.886 121.114 120.200 0.046 0.000 2.072 403 E HA -0.135 4.311 4.350 0.160 0.000 0.191 403 E C 2.152 178.766 176.600 0.022 0.000 0.985 403 E CA 1.775 58.189 56.400 0.022 0.000 0.801 403 E CB -0.195 29.508 29.700 0.006 0.000 0.750 403 E HN 0.660 nan 8.360 nan 0.000 0.452 404 K N 1.371 121.791 120.400 0.034 0.000 2.500 404 K HA 0.131 4.547 4.320 0.160 0.000 0.206 404 K C 0.608 177.241 176.600 0.054 0.000 1.034 404 K CA 0.278 56.583 56.287 0.031 0.000 1.179 404 K CB -0.432 32.078 32.500 0.017 0.000 0.884 404 K HN 0.177 nan 8.250 nan 0.000 0.493 405 S N -1.586 114.151 115.700 0.061 0.000 2.462 405 S HA 0.559 5.125 4.470 0.160 0.000 0.294 405 S C 1.207 175.840 174.600 0.055 0.000 1.144 405 S CA -0.067 58.172 58.200 0.066 0.000 1.088 405 S CB 0.930 64.168 63.200 0.063 0.000 1.009 405 S HN 0.843 nan 8.310 nan 0.000 0.484 406 I N 1.848 122.462 120.570 0.074 0.000 3.605 406 I HA 0.429 4.695 4.170 0.160 0.000 0.301 406 I C 1.663 177.808 176.117 0.047 0.000 1.267 406 I CA 0.732 62.081 61.300 0.082 0.000 1.236 406 I CB -1.536 36.564 38.000 0.167 0.000 1.010 406 I HN 0.989 nan 8.210 nan 0.000 0.491 407 G N -1.067 107.754 108.800 0.034 0.000 2.850 407 G HA2 0.115 4.171 3.960 0.160 0.000 0.211 407 G HA3 0.115 4.171 3.960 0.160 0.000 0.211 407 G C 1.473 176.379 174.900 0.010 0.000 1.124 407 G CA 0.836 45.946 45.100 0.016 0.000 0.769 407 G HN 0.607 nan 8.290 nan 0.000 0.535 408 I N 0.622 121.200 120.570 0.013 0.000 2.850 408 I HA -0.056 4.210 4.170 0.160 0.000 0.266 408 I C 2.200 178.319 176.117 0.003 0.000 1.257 408 I CA 0.493 61.796 61.300 0.006 0.000 1.465 408 I CB 0.079 38.084 38.000 0.009 0.000 1.091 408 I HN 0.119 nan 8.210 nan 0.000 0.467 409 I N 0.884 121.459 120.570 0.008 0.000 2.567 409 I HA -0.259 4.007 4.170 0.160 0.000 0.257 409 I C 2.092 178.216 176.117 0.012 0.000 1.184 409 I CA 1.771 63.077 61.300 0.009 0.000 1.451 409 I CB -0.526 37.481 38.000 0.011 0.000 1.089 409 I HN 0.156 nan 8.210 nan 0.000 0.441 410 T N 0.446 115.005 114.554 0.009 0.000 2.915 410 T HA -0.023 4.423 4.350 0.160 0.000 0.269 410 T C 1.764 176.475 174.700 0.019 0.000 1.071 410 T CA 1.173 63.280 62.100 0.012 0.000 1.132 410 T CB -0.318 68.553 68.868 0.005 0.000 0.878 410 T HN 0.502 nan 8.240 nan 0.000 0.479 411 A N 0.218 123.043 122.820 0.009 0.000 2.208 411 A HA 0.298 4.714 4.320 0.160 0.000 0.209 411 A C 1.889 179.466 177.584 -0.010 0.000 1.161 411 A CA 0.471 52.511 52.037 0.004 0.000 0.782 411 A CB -0.351 18.642 19.000 -0.012 0.000 0.816 411 A HN 0.551 nan 8.150 nan 0.000 0.477 412 I N -1.569 119.001 120.570 0.000 0.000 4.187 412 I HA 0.009 4.275 4.170 0.160 0.000 0.326 412 I C 1.893 178.058 176.117 0.079 0.000 1.302 412 I CA 0.333 61.629 61.300 -0.008 0.000 1.196 412 I CB -0.062 37.928 38.000 -0.017 0.000 1.095 412 I HN 0.336 nan 8.210 nan 0.000 0.411 413 N N 2.417 121.161 118.700 0.074 0.000 2.036 413 N HA -0.205 4.631 4.740 0.160 0.000 0.199 413 N C -0.854 174.721 175.510 0.109 0.000 1.036 413 N CA 2.412 55.508 53.050 0.077 0.000 0.870 413 N CB -0.735 37.783 38.487 0.052 0.000 1.055 413 N HN 0.056 nan 8.380 nan 0.000 0.436 414 P HA -0.142 nan 4.420 nan 0.000 0.217 414 P C 0.408 177.744 177.300 0.060 0.000 1.151 414 P CA 1.518 64.678 63.100 0.100 0.000 0.849 414 P CB -0.118 31.649 31.700 0.112 0.000 0.787 415 H N -2.096 116.987 119.070 0.021 0.000 2.535 415 H HA 0.058 4.710 4.556 0.160 0.000 0.273 415 H C 1.261 176.603 175.328 0.024 0.000 0.983 415 H CA 0.874 56.935 56.048 0.022 0.000 1.238 415 H CB -0.430 29.346 29.762 0.024 0.000 1.412 415 H HN 0.085 nan 8.280 nan 0.000 0.562 416 V N -3.215 116.783 119.914 0.140 0.000 3.070 416 V HA 0.565 4.781 4.120 0.160 0.000 0.345 416 V C 0.775 176.907 176.094 0.063 0.000 1.403 416 V CA -0.098 62.257 62.300 0.092 0.000 1.155 416 V CB -0.294 31.583 31.823 0.090 0.000 1.140 416 V HN 0.435 nan 8.190 nan 0.000 0.505 417 G N -1.033 107.798 108.800 0.050 0.000 2.915 417 G HA2 -0.098 3.958 3.960 0.160 0.000 0.686 417 G HA3 -0.098 3.958 3.960 0.160 0.000 0.686 417 G C 0.283 175.204 174.900 0.035 0.000 1.414 417 G CA 0.125 45.245 45.100 0.034 0.000 1.053 417 G HN 1.800 nan 8.290 nan 0.000 0.598 418 Y N -1.336 118.979 120.300 0.026 0.000 2.716 418 Y HA 0.302 4.948 4.550 0.160 0.000 0.302 418 Y C 2.488 178.401 175.900 0.022 0.000 1.160 418 Y CA 2.512 60.626 58.100 0.023 0.000 1.362 418 Y CB -1.142 37.327 38.460 0.015 0.000 0.988 418 Y HN 1.664 nan 8.280 nan 0.000 0.546 419 E N -1.105 119.110 120.200 0.026 0.000 2.079 419 E HA -0.094 4.352 4.350 0.160 0.000 0.191 419 E C 1.902 178.525 176.600 0.038 0.000 0.961 419 E CA 1.162 57.578 56.400 0.027 0.000 0.823 419 E CB -1.337 28.377 29.700 0.023 0.000 0.789 419 E HN 0.556 nan 8.360 nan 0.000 0.459 420 T N 0.522 115.105 114.554 0.047 0.000 3.072 420 T HA 0.208 4.654 4.350 0.160 0.000 0.266 420 T C 2.131 176.871 174.700 0.067 0.000 1.127 420 T CA 0.845 62.986 62.100 0.068 0.000 1.107 420 T CB -0.104 68.809 68.868 0.075 0.000 0.910 420 T HN 0.496 nan 8.240 nan 0.000 0.513 421 A N 0.964 123.814 122.820 0.050 0.000 2.066 421 A HA 0.402 4.818 4.320 0.160 0.000 0.218 421 A C 2.435 180.037 177.584 0.029 0.000 1.157 421 A CA 1.197 53.258 52.037 0.040 0.000 0.670 421 A CB -0.523 18.497 19.000 0.035 0.000 0.804 421 A HN 0.492 nan 8.150 nan 0.000 0.453 422 A N -0.780 122.057 122.820 0.030 0.000 2.081 422 A HA 0.331 4.747 4.320 0.160 0.000 0.214 422 A C 2.206 179.808 177.584 0.030 0.000 1.158 422 A CA 1.620 53.669 52.037 0.020 0.000 0.724 422 A CB -0.390 18.619 19.000 0.015 0.000 0.826 422 A HN 0.540 nan 8.150 nan 0.000 0.463 423 K N 0.016 120.447 120.400 0.052 0.000 2.098 423 K HA 0.325 4.741 4.320 0.160 0.000 0.203 423 K C 1.741 178.366 176.600 0.041 0.000 1.051 423 K CA 1.060 57.391 56.287 0.073 0.000 0.957 423 K CB -0.996 31.584 32.500 0.132 0.000 0.738 423 K HN 0.402 nan 8.250 nan 0.000 0.447 424 L N 0.030 121.275 121.223 0.037 0.000 2.465 424 L HA 0.025 4.461 4.340 0.160 0.000 0.224 424 L C 2.686 179.541 176.870 -0.026 0.000 1.145 424 L CA 0.829 55.654 54.840 -0.026 0.000 0.834 424 L CB -0.028 42.040 42.059 0.015 0.000 0.944 424 L HN 0.523 nan 8.230 nan 0.000 0.451 425 A N -0.300 122.523 122.820 0.004 0.000 1.997 425 A HA -0.023 4.393 4.320 0.160 0.000 0.214 425 A C 2.234 179.844 177.584 0.043 0.000 1.458 425 A CA 0.114 52.161 52.037 0.017 0.000 0.692 425 A CB -0.357 18.649 19.000 0.011 0.000 1.145 425 A HN 0.156 nan 8.150 nan 0.000 0.515 426 R N 0.093 120.611 120.500 0.031 0.000 2.261 426 R HA -0.165 4.271 4.340 0.160 0.000 0.236 426 R C 1.939 178.300 176.300 0.101 0.000 1.141 426 R CA 1.648 57.780 56.100 0.054 0.000 1.001 426 R CB -0.070 30.239 30.300 0.016 0.000 0.866 426 R HN 0.745 nan 8.270 nan 0.000 0.468 427 E N -0.595 119.635 120.200 0.050 0.000 2.102 427 E HA -0.067 4.379 4.350 0.160 0.000 0.190 427 E C 1.441 178.048 176.600 0.012 0.000 0.971 427 E CA 0.725 57.137 56.400 0.020 0.000 0.821 427 E CB 0.020 29.693 29.700 -0.044 0.000 0.777 427 E HN 0.397 nan 8.360 nan 0.000 0.460 428 A N 0.157 122.980 122.820 0.005 0.000 2.216 428 A HA -0.138 4.278 4.320 0.160 0.000 0.214 428 A C 1.693 179.307 177.584 0.050 0.000 1.160 428 A CA 0.595 52.631 52.037 -0.001 0.000 0.725 428 A CB -0.594 18.401 19.000 -0.009 0.000 0.784 428 A HN 0.514 nan 8.150 nan 0.000 0.472 429 Y N -0.390 119.893 120.300 -0.028 0.000 2.420 429 Y HA 0.041 4.687 4.550 0.160 0.000 0.292 429 Y C 1.652 177.543 175.900 -0.014 0.000 1.119 429 Y CA 1.003 59.093 58.100 -0.017 0.000 1.229 429 Y CB 0.187 38.639 38.460 -0.013 0.000 1.026 429 Y HN 0.189 nan 8.280 nan 0.000 0.554 430 L N -1.016 120.154 121.223 -0.088 0.000 2.347 430 L HA 0.000 4.436 4.340 0.160 0.000 0.196 430 L C 2.452 179.257 176.870 -0.109 0.000 1.072 430 L CA 1.775 56.530 54.840 -0.141 0.000 0.817 430 L CB -1.710 40.333 42.059 -0.026 0.000 1.029 430 L HN 0.290 nan 8.230 nan 0.000 0.478 431 T N -2.433 112.084 114.554 -0.063 0.000 3.007 431 T HA -0.010 4.436 4.350 0.160 0.000 0.270 431 T C 1.557 176.219 174.700 -0.064 0.000 1.107 431 T CA 0.980 63.046 62.100 -0.055 0.000 1.118 431 T CB -0.314 68.526 68.868 -0.046 0.000 0.889 431 T HN 0.482 nan 8.240 nan 0.000 0.506 432 G N 1.125 109.880 108.800 -0.075 0.000 2.175 432 G HA2 -0.320 3.736 3.960 0.160 0.000 0.265 432 G HA3 -0.320 3.736 3.960 0.160 0.000 0.265 432 G C -0.141 174.732 174.900 -0.046 0.000 0.979 432 G CA 0.411 45.471 45.100 -0.067 0.000 0.663 432 G HN 0.828 nan 8.290 nan 0.000 0.533 433 E N 0.961 121.132 120.200 -0.049 0.000 2.414 433 E HA 0.364 4.811 4.350 0.160 0.000 0.263 433 E C 0.987 177.561 176.600 -0.042 0.000 1.000 433 E CA 0.307 56.677 56.400 -0.049 0.000 0.914 433 E CB 0.311 29.970 29.700 -0.069 0.000 0.948 433 E HN 0.284 nan 8.360 nan 0.000 0.444 434 S N 3.741 119.421 115.700 -0.034 0.000 2.593 434 S HA -0.122 4.444 4.470 0.160 0.000 0.300 434 S C 1.241 175.823 174.600 -0.030 0.000 1.267 434 S CA -0.318 57.868 58.200 -0.024 0.000 1.065 434 S CB 0.292 63.480 63.200 -0.020 0.000 0.807 434 S HN 0.590 nan 8.310 nan 0.000 0.499 435 I N 5.142 125.701 120.570 -0.018 0.000 2.454 435 I HA -0.098 4.168 4.170 0.160 0.000 0.254 435 I C 2.302 178.406 176.117 -0.021 0.000 1.156 435 I CA 1.657 62.945 61.300 -0.020 0.000 1.433 435 I CB -0.316 37.682 38.000 -0.004 0.000 1.082 435 I HN 0.824 nan 8.210 nan 0.000 0.432 436 R N 0.434 120.925 120.500 -0.014 0.000 2.066 436 R HA -0.058 4.378 4.340 0.160 0.000 0.224 436 R C 1.988 178.282 176.300 -0.009 0.000 1.122 436 R CA 1.246 57.341 56.100 -0.009 0.000 0.974 436 R CB -0.330 29.966 30.300 -0.006 0.000 0.871 436 R HN 0.380 nan 8.270 nan 0.000 0.435 437 E N 0.498 120.689 120.200 -0.015 0.000 2.463 437 E HA -0.164 4.282 4.350 0.160 0.000 0.201 437 E C 1.479 178.065 176.600 -0.024 0.000 1.045 437 E CA 0.370 56.762 56.400 -0.013 0.000 0.872 437 E CB 0.129 29.819 29.700 -0.017 0.000 0.797 437 E HN 0.228 nan 8.360 nan 0.000 0.538 438 L N -0.499 120.696 121.223 -0.047 0.000 2.253 438 L HA 0.005 4.441 4.340 0.160 0.000 0.205 438 L C 1.976 178.823 176.870 -0.038 0.000 1.078 438 L CA 1.008 55.783 54.840 -0.108 0.000 0.805 438 L CB -0.123 41.833 42.059 -0.170 0.000 0.963 438 L HN 0.129 nan 8.230 nan 0.000 0.459 439 C N -0.322 118.981 119.300 0.005 0.000 2.425 439 C HA -0.127 4.429 4.460 0.160 0.000 0.277 439 C C 2.649 177.689 174.990 0.084 0.000 1.280 439 C CA 0.829 59.882 59.018 0.059 0.000 1.744 439 C CB -0.785 26.977 27.740 0.036 0.000 1.989 439 C HN 0.501 nan 8.230 nan 0.000 0.491 440 I N 1.358 121.961 120.570 0.056 0.000 2.110 440 I HA -0.077 4.189 4.170 0.160 0.000 0.236 440 I C 2.326 178.494 176.117 0.086 0.000 1.068 440 I CA 1.802 63.136 61.300 0.057 0.000 1.333 440 I CB -0.651 37.370 38.000 0.034 0.000 1.054 440 I HN 0.206 nan 8.210 nan 0.000 0.402 441 K N 0.029 120.480 120.400 0.085 0.000 3.358 441 K HA -0.004 4.412 4.320 0.160 0.000 0.297 441 K C 0.376 177.152 176.600 0.293 0.000 1.064 441 K CA 0.652 57.013 56.287 0.124 0.000 1.144 441 K CB -1.454 31.090 32.500 0.073 0.000 1.289 441 K HN 0.655 nan 8.250 nan 0.000 0.372 442 Y N -1.806 118.499 120.300 0.010 0.000 2.540 442 Y HA 0.218 4.864 4.550 0.160 0.000 0.306 442 Y C 0.850 176.757 175.900 0.012 0.000 0.952 442 Y CA 0.097 58.204 58.100 0.011 0.000 0.928 442 Y CB 1.070 39.538 38.460 0.013 0.000 1.411 442 Y HN 0.683 nan 8.280 nan 0.000 0.578 443 G N 1.282 110.169 108.800 0.146 0.000 3.445 443 G HA2 0.035 4.091 3.960 0.160 0.000 0.680 443 G HA3 0.035 4.091 3.960 0.160 0.000 0.680 443 G C -0.148 174.796 174.900 0.074 0.000 0.972 443 G CA 0.196 45.339 45.100 0.072 0.000 0.798 443 G HN 1.042 nan 8.290 nan 0.000 0.461 444 V N -0.699 119.258 119.914 0.070 0.000 3.112 444 V HA 0.451 4.667 4.120 0.160 0.000 0.233 444 V C 0.300 176.431 176.094 0.062 0.000 1.716 444 V CA 0.665 63.006 62.300 0.069 0.000 1.002 444 V CB -0.369 31.508 31.823 0.090 0.000 0.998 444 V HN 1.175 nan 8.190 nan 0.000 0.423 445 L N 2.307 123.564 121.223 0.057 0.000 2.493 445 L HA 0.718 5.154 4.340 0.160 0.000 0.265 445 L C -0.034 176.859 176.870 0.037 0.000 0.954 445 L CA -0.066 54.803 54.840 0.048 0.000 0.844 445 L CB 2.352 44.436 42.059 0.042 0.000 1.302 445 L HN 0.353 nan 8.230 nan 0.000 0.405 446 T N -2.562 112.012 114.554 0.033 0.000 2.913 446 T HA 0.174 4.620 4.350 0.160 0.000 0.297 446 T C 0.995 175.708 174.700 0.020 0.000 1.029 446 T CA -0.537 61.578 62.100 0.026 0.000 1.104 446 T CB 1.457 70.340 68.868 0.023 0.000 0.964 446 T HN 0.611 nan 8.240 nan 0.000 0.532 447 E N 1.853 122.063 120.200 0.018 0.000 2.095 447 E HA -0.247 4.199 4.350 0.160 0.000 0.212 447 E C 1.850 178.457 176.600 0.010 0.000 1.044 447 E CA 2.193 58.601 56.400 0.013 0.000 0.857 447 E CB -0.341 29.365 29.700 0.011 0.000 0.764 447 E HN 0.870 nan 8.360 nan 0.000 0.462 448 E N 0.247 120.454 120.200 0.012 0.000 2.267 448 E HA -0.175 4.271 4.350 0.160 0.000 0.197 448 E C 1.929 178.538 176.600 0.013 0.000 0.998 448 E CA 0.999 57.406 56.400 0.012 0.000 0.830 448 E CB -0.108 29.600 29.700 0.012 0.000 0.751 448 E HN 0.315 nan 8.360 nan 0.000 0.491 449 Q N -0.445 119.365 119.800 0.016 0.000 2.226 449 Q HA 0.015 4.451 4.340 0.160 0.000 0.199 449 Q C 1.795 177.797 176.000 0.003 0.000 0.945 449 Q CA 0.180 55.995 55.803 0.020 0.000 0.861 449 Q CB 0.074 28.832 28.738 0.033 0.000 0.953 449 Q HN 0.263 nan 8.270 nan 0.000 0.490 450 L N 1.468 122.690 121.223 -0.001 0.000 2.353 450 L HA -0.096 4.340 4.340 0.160 0.000 0.220 450 L C 1.297 178.152 176.870 -0.024 0.000 1.133 450 L CA 1.487 56.316 54.840 -0.018 0.000 0.798 450 L CB -0.279 41.778 42.059 -0.005 0.000 0.922 450 L HN 0.261 nan 8.230 nan 0.000 0.445 451 N N -1.105 117.589 118.700 -0.010 0.000 2.392 451 N HA -0.054 4.782 4.740 0.160 0.000 0.177 451 N C 1.477 176.986 175.510 -0.001 0.000 1.066 451 N CA 0.819 53.867 53.050 -0.004 0.000 0.895 451 N CB 0.286 38.775 38.487 0.004 0.000 0.988 451 N HN 0.549 nan 8.380 nan 0.000 0.457 452 E N 1.153 121.350 120.200 -0.003 0.000 2.371 452 E HA 0.055 4.501 4.350 0.160 0.000 0.194 452 E C 1.699 178.291 176.600 -0.013 0.000 1.012 452 E CA 0.229 56.634 56.400 0.008 0.000 0.860 452 E CB -0.333 29.380 29.700 0.022 0.000 0.811 452 E HN 0.302 nan 8.360 nan 0.000 0.502 453 I N -0.216 120.311 120.570 -0.072 0.000 2.556 453 I HA 0.079 4.345 4.170 0.160 0.000 0.251 453 I C 2.559 178.618 176.117 -0.097 0.000 1.105 453 I CA 0.930 62.125 61.300 -0.175 0.000 1.436 453 I CB 0.297 38.096 38.000 -0.335 0.000 1.139 453 I HN 0.336 nan 8.210 nan 0.000 0.438 454 L N 1.210 122.398 121.223 -0.059 0.000 2.715 454 L HA 0.228 4.665 4.340 0.160 0.000 0.238 454 L C 0.784 177.656 176.870 0.004 0.000 1.212 454 L CA 0.125 54.950 54.840 -0.026 0.000 1.017 454 L CB -1.813 40.233 42.059 -0.021 0.000 1.269 454 L HN 0.306 nan 8.230 nan 0.000 0.452 455 N N 1.179 119.892 118.700 0.021 0.000 2.454 455 N HA 0.053 4.889 4.740 0.160 0.000 0.260 455 N C -1.264 174.293 175.510 0.078 0.000 1.218 455 N CA -0.745 52.339 53.050 0.056 0.000 0.904 455 N CB 1.591 40.125 38.487 0.079 0.000 1.065 455 N HN 0.216 nan 8.380 nan 0.000 0.462 456 P HA -0.205 nan 4.420 nan 0.000 0.217 456 P C 0.904 178.274 177.300 0.117 0.000 1.148 456 P CA 1.437 64.586 63.100 0.082 0.000 0.828 456 P CB -0.019 31.731 31.700 0.084 0.000 0.783 457 Y N 1.521 121.863 120.300 0.070 0.000 2.159 457 Y HA 0.001 4.647 4.550 0.160 0.000 0.285 457 Y C 2.448 178.468 175.900 0.200 0.000 1.106 457 Y CA 1.451 59.646 58.100 0.158 0.000 1.095 457 Y CB -0.782 37.771 38.460 0.154 0.000 1.015 457 Y HN -0.159 nan 8.280 nan 0.000 0.491 458 E N 0.001 120.477 120.200 0.460 0.000 2.401 458 E HA -0.224 4.222 4.350 0.160 0.000 0.199 458 E C 1.967 178.636 176.600 0.114 0.000 1.023 458 E CA 1.090 57.671 56.400 0.302 0.000 0.859 458 E CB -0.166 29.692 29.700 0.264 0.000 0.780 458 E HN 0.565 nan 8.360 nan 0.000 0.523 459 M N 0.621 120.256 119.600 0.059 0.000 2.447 459 M HA 0.006 4.582 4.480 0.160 0.000 0.264 459 M C 1.504 177.765 176.300 -0.066 0.000 1.095 459 M CA 0.999 56.300 55.300 0.002 0.000 1.125 459 M CB 0.362 32.963 32.600 0.001 0.000 1.389 459 M HN 0.094 nan 8.290 nan 0.000 0.459 460 I N -2.278 118.194 120.570 -0.162 0.000 3.816 460 I HA 0.360 4.626 4.170 0.160 0.000 0.334 460 I C -0.638 175.131 176.117 -0.580 0.000 1.551 460 I CA -0.522 60.585 61.300 -0.322 0.000 1.153 460 I CB -0.082 37.694 38.000 -0.374 0.000 1.197 460 I HN -0.020 nan 8.210 nan 0.000 0.439 461 H N 1.681 120.644 119.070 -0.177 0.000 2.961 461 H HA 0.492 5.144 4.556 0.160 0.000 0.371 461 H C -2.555 172.727 175.328 -0.076 0.000 1.190 461 H CA -1.446 54.488 56.048 -0.190 0.000 1.138 461 H CB 2.026 31.556 29.762 -0.385 0.000 1.816 461 H HN 0.061 nan 8.280 nan 0.000 0.551 462 P HA 0.286 nan 4.420 nan 0.000 0.267 462 P C -0.194 177.149 177.300 0.073 0.000 1.209 462 P CA -0.078 63.061 63.100 0.065 0.000 0.763 462 P CB 0.730 32.461 31.700 0.052 0.000 0.816 463 G N 2.668 111.505 108.800 0.063 0.000 2.732 463 G HA2 0.340 4.396 3.960 0.160 0.000 0.296 463 G HA3 0.340 4.396 3.960 0.160 0.000 0.296 463 G C -1.028 173.905 174.900 0.055 0.000 1.448 463 G CA -0.875 44.266 45.100 0.067 0.000 0.911 463 G HN 0.663 nan 8.290 nan 0.000 0.528 464 I N 1.969 122.567 120.570 0.045 0.000 2.880 464 I HA 0.238 4.504 4.170 0.160 0.000 0.296 464 I C 1.774 177.913 176.117 0.036 0.000 1.220 464 I CA 0.492 61.811 61.300 0.032 0.000 1.435 464 I CB 1.116 39.129 38.000 0.020 0.000 1.339 464 I HN 0.866 nan 8.210 nan 0.000 0.583 465 A N 5.851 128.686 122.820 0.025 0.000 1.882 465 A HA -0.121 4.295 4.320 0.160 0.000 0.220 465 A C 1.135 178.725 177.584 0.010 0.000 1.253 465 A CA 2.073 54.127 52.037 0.027 0.000 0.664 465 A CB -1.234 17.771 19.000 0.009 0.000 0.838 465 A HN 0.961 nan 8.150 nan 0.000 0.460 466 G N 0.000 108.768 108.800 -0.054 0.000 5.446 466 G HA2 0.000 4.056 3.960 0.160 0.000 0.244 466 G HA3 0.000 4.056 3.960 0.160 0.000 0.244 466 G CA 0.000 44.994 45.100 -0.177 0.000 0.502 466 G HN 0.000 nan 8.290 nan 0.000 0.925