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 2gd0_1_A DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.539 177.584 -0.075 0.000 1.274 2 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 2 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 3 G N 0.476 109.214 108.800 -0.103 0.000 2.588 3 G HA2 0.446 4.406 3.960 0.000 0.000 0.278 3 G HA3 0.446 4.406 3.960 0.000 0.000 0.278 3 G C -0.851 173.891 174.900 -0.262 0.000 1.307 3 G CA -0.225 44.760 45.100 -0.191 0.000 1.016 3 G HN 0.053 nan 8.290 nan 0.000 0.503 4 P HA -0.011 nan 4.420 nan 0.000 0.226 4 P C 1.300 178.452 177.300 -0.247 0.000 1.153 4 P CA 0.817 63.674 63.100 -0.404 0.000 0.777 4 P CB 0.224 31.504 31.700 -0.700 0.000 0.794 5 L N -0.969 120.122 121.223 -0.219 0.000 2.607 5 L HA 0.158 4.498 4.340 0.000 0.000 0.228 5 L C 1.163 177.975 176.870 -0.097 0.000 1.123 5 L CA -0.186 54.574 54.840 -0.134 0.000 0.890 5 L CB -0.298 41.693 42.059 -0.113 0.000 1.103 5 L HN -0.091 nan 8.230 nan 0.000 0.468 6 S N 0.646 116.286 115.700 -0.100 0.000 2.784 6 S HA 0.125 4.595 4.470 0.000 0.000 0.322 6 S C 1.344 175.905 174.600 -0.065 0.000 1.234 6 S CA 1.147 59.305 58.200 -0.071 0.000 1.064 6 S CB 0.138 63.296 63.200 -0.069 0.000 0.787 6 S HN 0.712 nan 8.310 nan 0.000 0.506 7 G N 3.036 111.802 108.800 -0.057 0.000 2.232 7 G HA2 -0.221 3.739 3.960 0.000 0.000 0.226 7 G HA3 -0.221 3.739 3.960 0.000 0.000 0.226 7 G C -0.078 174.761 174.900 -0.101 0.000 0.996 7 G CA 0.058 45.114 45.100 -0.074 0.000 0.626 7 G HN 0.994 nan 8.290 nan 0.000 0.509 8 L N 2.059 123.232 121.223 -0.084 0.000 2.331 8 L HA 0.719 5.059 4.340 0.000 0.000 0.278 8 L C 0.617 177.428 176.870 -0.097 0.000 1.106 8 L CA -0.464 54.319 54.840 -0.094 0.000 0.824 8 L CB 0.560 42.580 42.059 -0.064 0.000 1.142 8 L HN 0.234 nan 8.230 nan 0.000 0.443 9 R N 4.197 124.589 120.500 -0.180 0.000 2.255 9 R HA 0.631 4.971 4.340 0.000 0.000 0.326 9 R C -1.373 174.891 176.300 -0.061 0.000 0.986 9 R CA -0.674 55.285 56.100 -0.234 0.000 0.847 9 R CB 1.529 31.334 30.300 -0.825 0.000 1.111 9 R HN 0.456 nan 8.270 nan 0.000 0.452 10 V N 4.137 124.133 119.914 0.136 0.000 2.531 10 V HA 0.291 4.411 4.120 0.000 0.000 0.301 10 V C -0.244 175.977 176.094 0.212 0.000 1.034 10 V CA -0.913 61.462 62.300 0.125 0.000 0.865 10 V CB 2.081 33.943 31.823 0.066 0.000 0.995 10 V HN 0.437 nan 8.190 nan 0.000 0.424 11 V N 4.203 124.211 119.914 0.156 0.000 2.383 11 V HA 0.387 4.507 4.120 0.000 0.000 0.275 11 V C 0.181 176.289 176.094 0.023 0.000 1.036 11 V CA -0.373 61.992 62.300 0.109 0.000 0.889 11 V CB 1.452 33.345 31.823 0.117 0.000 0.985 11 V HN 0.959 nan 8.190 nan 0.000 0.459 12 E N 5.532 125.740 120.200 0.014 0.000 2.113 12 E HA 0.422 4.772 4.350 0.000 0.000 0.273 12 E C -1.129 175.464 176.600 -0.012 0.000 0.924 12 E CA -0.683 55.709 56.400 -0.014 0.000 0.764 12 E CB 1.163 30.861 29.700 -0.003 0.000 1.104 12 E HN 0.650 nan 8.360 nan 0.000 0.406 13 L N 3.861 125.064 121.223 -0.034 0.000 2.283 13 L HA 0.336 4.676 4.340 0.000 0.000 0.287 13 L C 0.576 177.440 176.870 -0.011 0.000 1.073 13 L CA -0.690 54.165 54.840 0.024 0.000 0.822 13 L CB 0.909 43.030 42.059 0.102 0.000 1.186 13 L HN 0.619 nan 8.230 nan 0.000 0.436 14 A N 3.450 126.307 122.820 0.062 0.000 2.573 14 A HA 0.399 4.720 4.320 0.000 0.000 0.250 14 A C 0.744 178.360 177.584 0.054 0.000 1.049 14 A CA 0.885 52.955 52.037 0.055 0.000 0.767 14 A CB -0.260 18.787 19.000 0.077 0.000 0.965 14 A HN 0.909 nan 8.150 nan 0.000 0.514 15 G N 0.769 109.562 108.800 -0.011 0.000 3.183 15 G HA2 0.635 4.595 3.960 0.000 0.000 0.247 15 G HA3 0.635 4.595 3.960 0.000 0.000 0.247 15 G C -0.924 173.996 174.900 0.034 0.000 1.211 15 G CA -0.658 44.430 45.100 -0.020 0.000 0.835 15 G HN 0.714 nan 8.290 nan 0.000 0.604 16 I N -0.075 120.516 120.570 0.035 0.000 2.619 16 I HA 0.563 4.733 4.170 0.000 0.000 0.292 16 I C 0.803 176.964 176.117 0.074 0.000 1.100 16 I CA 0.587 61.931 61.300 0.074 0.000 1.043 16 I CB 2.050 40.108 38.000 0.096 0.000 1.239 16 I HN 1.227 nan 8.210 nan 0.000 0.420 17 G N 6.822 115.696 108.800 0.123 0.000 2.652 17 G HA2 -0.214 3.746 3.960 0.000 0.000 0.278 17 G HA3 -0.214 3.746 3.960 0.000 0.000 0.278 17 G C -1.916 173.095 174.900 0.185 0.000 1.263 17 G CA 0.205 45.379 45.100 0.123 0.000 0.966 17 G HN 0.438 nan 8.290 nan 0.000 0.544 18 P HA 0.001 nan 4.420 nan 0.000 0.217 18 P C 2.042 179.444 177.300 0.170 0.000 1.150 18 P CA 2.760 65.930 63.100 0.118 0.000 0.832 18 P CB -0.723 30.965 31.700 -0.019 0.000 0.787 19 G N 1.329 110.171 108.800 0.071 0.000 2.433 19 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 19 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 19 G C -0.714 174.228 174.900 0.070 0.000 1.186 19 G CA 1.053 46.174 45.100 0.034 0.000 0.779 19 G HN 0.281 nan 8.290 nan 0.000 0.543 20 P HA -0.072 nan 4.420 nan 0.000 0.220 20 P C 1.166 178.552 177.300 0.144 0.000 1.148 20 P CA 1.335 64.496 63.100 0.101 0.000 0.803 20 P CB -0.064 31.703 31.700 0.111 0.000 0.782 21 H N 0.245 119.391 119.070 0.126 0.000 2.363 21 H HA 0.096 4.652 4.556 -0.000 0.000 0.301 21 H C 1.922 177.299 175.328 0.081 0.000 1.074 21 H CA 1.717 57.833 56.048 0.113 0.000 1.354 21 H CB -0.641 29.268 29.762 0.246 0.000 1.397 21 H HN -0.055 nan 8.280 nan 0.000 0.516 22 A N 1.019 123.900 122.820 0.101 0.000 1.883 22 A HA -0.160 4.160 4.320 0.000 0.000 0.217 22 A C 2.603 180.173 177.584 -0.024 0.000 1.186 22 A CA 2.091 54.139 52.037 0.018 0.000 0.624 22 A CB -1.483 17.554 19.000 0.063 0.000 0.822 22 A HN 0.612 nan 8.150 nan 0.000 0.444 23 A N -0.853 121.967 122.820 0.001 0.000 1.933 23 A HA -0.134 4.186 4.320 0.000 0.000 0.218 23 A C 2.274 179.845 177.584 -0.023 0.000 1.175 23 A CA 1.900 53.934 52.037 -0.005 0.000 0.628 23 A CB -0.552 18.453 19.000 0.008 0.000 0.814 23 A HN 0.648 nan 8.150 nan 0.000 0.444 24 M N -0.555 119.021 119.600 -0.039 0.000 2.108 24 M HA -0.147 4.333 4.480 0.000 0.000 0.261 24 M C 1.898 178.147 176.300 -0.084 0.000 1.066 24 M CA 1.948 57.215 55.300 -0.055 0.000 1.107 24 M CB -0.291 32.268 32.600 -0.067 0.000 1.356 24 M HN 0.433 nan 8.290 nan 0.000 0.406 25 I N 0.175 120.661 120.570 -0.141 0.000 2.353 25 I HA -0.291 3.879 4.170 0.000 0.000 0.248 25 I C 2.190 178.271 176.117 -0.059 0.000 1.119 25 I CA 0.853 62.081 61.300 -0.122 0.000 1.417 25 I CB -0.312 37.588 38.000 -0.167 0.000 1.078 25 I HN 0.341 nan 8.210 nan 0.000 0.421 26 L N 0.401 121.596 121.223 -0.048 0.000 2.012 26 L HA -0.186 4.154 4.340 0.000 0.000 0.210 26 L C 2.676 179.529 176.870 -0.029 0.000 1.073 26 L CA 1.816 56.638 54.840 -0.031 0.000 0.748 26 L CB -1.237 40.811 42.059 -0.019 0.000 0.891 26 L HN 0.325 nan 8.230 nan 0.000 0.431 27 G N -0.688 108.099 108.800 -0.022 0.000 2.418 27 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 27 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 27 G C 1.118 176.002 174.900 -0.026 0.000 1.158 27 G CA 0.827 45.918 45.100 -0.015 0.000 0.771 27 G HN 0.287 nan 8.290 nan 0.000 0.545 28 D N 0.649 121.031 120.400 -0.030 0.000 2.133 28 D HA -0.110 4.530 4.640 0.000 0.000 0.192 28 D C 2.265 178.548 176.300 -0.028 0.000 1.001 28 D CA 0.745 54.728 54.000 -0.027 0.000 0.844 28 D CB -0.264 40.522 40.800 -0.022 0.000 0.944 28 D HN 0.298 nan 8.370 nan 0.000 0.447 29 L N -1.057 120.143 121.223 -0.037 0.000 2.627 29 L HA 0.230 4.570 4.340 0.000 0.000 0.232 29 L C 1.427 178.226 176.870 -0.117 0.000 1.150 29 L CA 0.409 55.200 54.840 -0.082 0.000 0.917 29 L CB -0.048 41.952 42.059 -0.098 0.000 1.104 29 L HN 0.187 nan 8.230 nan 0.000 0.445 30 G N -0.240 108.516 108.800 -0.074 0.000 2.179 30 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 30 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 30 G C 0.468 175.341 174.900 -0.046 0.000 0.990 30 G CA -0.111 44.950 45.100 -0.066 0.000 0.646 30 G HN 0.466 nan 8.290 nan 0.000 0.517 31 A N 0.106 122.903 122.820 -0.038 0.000 2.466 31 A HA 0.471 4.791 4.320 0.000 0.000 0.238 31 A C 0.322 177.921 177.584 0.024 0.000 1.074 31 A CA 0.803 52.831 52.037 -0.015 0.000 0.774 31 A CB 0.316 19.309 19.000 -0.012 0.000 1.015 31 A HN 0.404 nan 8.150 nan 0.000 0.498 32 D N 1.478 121.916 120.400 0.063 0.000 2.441 32 D HA 0.401 5.041 4.640 0.000 0.000 0.221 32 D C -0.889 175.544 176.300 0.221 0.000 1.156 32 D CA 0.074 54.166 54.000 0.155 0.000 0.896 32 D CB 0.384 41.323 40.800 0.233 0.000 1.028 32 D HN 0.108 nan 8.370 nan 0.000 0.509 33 V N 4.103 124.101 119.914 0.140 0.000 2.398 33 V HA 0.369 4.489 4.120 0.000 0.000 0.286 33 V C 0.175 176.314 176.094 0.075 0.000 1.026 33 V CA -0.849 61.520 62.300 0.115 0.000 0.868 33 V CB 1.862 33.717 31.823 0.054 0.000 0.982 33 V HN 0.266 nan 8.190 nan 0.000 0.443 34 V N 5.758 125.712 119.914 0.067 0.000 2.378 34 V HA 0.483 4.603 4.120 0.000 0.000 0.288 34 V C 0.109 176.189 176.094 -0.025 0.000 1.016 34 V CA -0.692 61.578 62.300 -0.050 0.000 0.840 34 V CB 1.578 33.258 31.823 -0.238 0.000 0.994 34 V HN 0.873 nan 8.190 nan 0.000 0.431 35 R N 5.429 125.913 120.500 -0.028 0.000 2.255 35 R HA 0.610 4.950 4.340 0.000 0.000 0.326 35 R C -0.977 175.314 176.300 -0.015 0.000 0.986 35 R CA -0.501 55.594 56.100 -0.010 0.000 0.847 35 R CB 0.794 31.094 30.300 0.000 0.000 1.111 35 R HN 0.695 nan 8.270 nan 0.000 0.452 36 I N 4.094 124.664 120.570 0.000 0.000 2.315 36 I HA 0.210 4.380 4.170 0.000 0.000 0.291 36 I C 0.119 176.257 176.117 0.034 0.000 1.006 36 I CA -0.360 60.945 61.300 0.008 0.000 1.265 36 I CB 1.322 39.332 38.000 0.016 0.000 1.387 36 I HN 0.571 nan 8.210 nan 0.000 0.475 37 D N 5.503 125.919 120.400 0.026 0.000 2.449 37 D HA 0.408 5.048 4.640 0.000 0.000 0.250 37 D C -0.110 176.210 176.300 0.033 0.000 1.050 37 D CA -0.699 53.325 54.000 0.040 0.000 1.024 37 D CB 1.693 42.510 40.800 0.029 0.000 1.218 37 D HN 0.321 nan 8.370 nan 0.000 0.566 38 R N 0.858 121.380 120.500 0.035 0.000 2.590 38 R HA 0.247 4.587 4.340 0.000 0.000 0.274 38 R C -1.784 174.523 176.300 0.013 0.000 1.061 38 R CA -0.934 55.178 56.100 0.021 0.000 1.081 38 R CB 0.091 30.404 30.300 0.021 0.000 0.984 38 R HN 0.255 nan 8.270 nan 0.000 0.448 46 S N 5.893 121.596 115.700 0.004 0.000 2.562 46 S HA 0.338 4.808 4.470 0.000 0.000 0.281 46 S C 0.936 175.539 174.600 0.005 0.000 1.333 46 S CA -0.091 58.114 58.200 0.007 0.000 1.052 46 S CB 0.662 63.869 63.200 0.012 0.000 0.884 46 S HN 0.719 nan 8.310 nan 0.000 0.506 47 R N 2.017 122.519 120.500 0.004 0.000 2.391 47 R HA 0.124 4.464 4.340 0.000 0.000 0.249 47 R C -0.547 175.754 176.300 0.001 0.000 0.957 47 R CA -0.114 55.986 56.100 -0.001 0.000 1.093 47 R CB -0.056 30.241 30.300 -0.006 0.000 1.156 47 R HN 0.525 nan 8.270 nan 0.000 0.526 48 D N 0.413 120.818 120.400 0.009 0.000 2.428 48 D HA 0.172 4.812 4.640 0.000 0.000 0.221 48 D C 0.864 177.175 176.300 0.019 0.000 1.123 48 D CA -0.290 53.718 54.000 0.014 0.000 0.869 48 D CB 1.391 42.206 40.800 0.024 0.000 1.032 48 D HN 0.110 nan 8.370 nan 0.000 0.506 49 A N 4.517 127.345 122.820 0.014 0.000 2.070 49 A HA -0.184 4.136 4.320 0.000 0.000 0.220 49 A C 2.048 179.658 177.584 0.043 0.000 1.159 49 A CA 1.027 53.081 52.037 0.028 0.000 0.656 49 A CB -0.537 18.470 19.000 0.011 0.000 0.800 49 A HN 0.729 nan 8.150 nan 0.000 0.453 50 M N -0.463 119.160 119.600 0.039 0.000 2.279 50 M HA -0.018 4.462 4.480 0.000 0.000 0.264 50 M C 0.591 176.920 176.300 0.048 0.000 1.062 50 M CA 1.323 56.654 55.300 0.052 0.000 1.099 50 M CB -0.210 32.432 32.600 0.070 0.000 1.394 50 M HN 0.355 nan 8.290 nan 0.000 0.426 51 L N 1.928 123.176 121.223 0.041 0.000 2.718 51 L HA 0.110 4.450 4.340 0.000 0.000 0.242 51 L C 0.870 177.759 176.870 0.030 0.000 1.203 51 L CA -0.404 54.456 54.840 0.034 0.000 1.011 51 L CB -1.214 40.862 42.059 0.029 0.000 1.250 51 L HN 0.346 nan 8.230 nan 0.000 0.437 52 R N -0.388 120.136 120.500 0.039 0.000 2.738 52 R HA 0.056 4.396 4.340 0.000 0.000 0.268 52 R C -0.090 176.223 176.300 0.021 0.000 1.062 52 R CA -0.453 55.671 56.100 0.040 0.000 1.158 52 R CB 0.174 30.518 30.300 0.073 0.000 1.046 52 R HN 0.139 nan 8.270 nan 0.000 0.493 53 N N 0.637 119.345 118.700 0.012 0.000 2.738 53 N HA -0.147 4.593 4.740 0.000 0.000 0.249 53 N C -1.197 174.317 175.510 0.007 0.000 1.047 53 N CA 1.051 54.102 53.050 0.002 0.000 0.707 53 N CB -0.519 37.965 38.487 -0.006 0.000 0.937 53 N HN 0.605 nan 8.380 nan 0.000 0.545 54 R N 0.124 120.627 120.500 0.006 0.000 2.888 54 R HA 0.531 4.871 4.340 0.000 0.000 0.264 54 R C 0.303 176.598 176.300 -0.007 0.000 1.045 54 R CA -0.693 55.410 56.100 0.004 0.000 0.962 54 R CB 1.435 31.737 30.300 0.004 0.000 1.210 54 R HN 0.085 nan 8.270 nan 0.000 0.479 55 R N 0.910 121.397 120.500 -0.022 0.000 2.387 55 R HA 0.501 4.841 4.340 0.000 0.000 0.314 55 R C -0.273 175.997 176.300 -0.050 0.000 0.958 55 R CA -0.791 55.281 56.100 -0.046 0.000 0.846 55 R CB 1.310 31.560 30.300 -0.083 0.000 1.147 55 R HN 0.337 nan 8.270 nan 0.000 0.447 56 I N 4.876 125.422 120.570 -0.040 0.000 2.336 56 I HA 0.263 4.433 4.170 0.000 0.000 0.292 56 I C 0.474 176.563 176.117 -0.047 0.000 0.991 56 I CA -0.566 60.714 61.300 -0.034 0.000 1.227 56 I CB 1.112 39.102 38.000 -0.016 0.000 1.366 56 I HN 0.370 nan 8.210 nan 0.000 0.466 57 V N 3.031 122.914 119.914 -0.051 0.000 3.126 57 V HA 0.805 4.925 4.120 0.000 0.000 0.314 57 V C -0.358 175.717 176.094 -0.032 0.000 1.138 57 V CA -0.416 61.851 62.300 -0.054 0.000 1.034 57 V CB 2.179 33.951 31.823 -0.086 0.000 1.075 57 V HN 0.754 nan 8.190 nan 0.000 0.442 58 T N 1.062 115.600 114.554 -0.027 0.000 2.893 58 T HA 0.892 5.242 4.350 0.000 0.000 0.291 58 T C -0.688 174.005 174.700 -0.012 0.000 1.028 58 T CA 0.238 62.331 62.100 -0.012 0.000 0.995 58 T CB 1.414 70.277 68.868 -0.008 0.000 1.051 58 T HN 1.890 nan 8.240 nan 0.000 0.470 59 A N 2.488 125.307 122.820 -0.003 0.000 2.577 59 A HA 0.555 4.875 4.320 0.000 0.000 0.297 59 A C -1.588 175.998 177.584 0.003 0.000 1.060 59 A CA -0.730 51.306 52.037 -0.002 0.000 0.697 59 A CB 1.519 20.518 19.000 -0.002 0.000 1.281 59 A HN 0.682 nan 8.150 nan 0.000 0.402 60 D N 2.329 122.729 120.400 -0.000 0.000 2.393 60 D HA 0.351 4.991 4.640 0.000 0.000 0.232 60 D C 0.725 177.023 176.300 -0.003 0.000 1.192 60 D CA -0.175 53.824 54.000 -0.003 0.000 0.882 60 D CB 0.393 41.190 40.800 -0.004 0.000 1.038 60 D HN 0.415 nan 8.370 nan 0.000 0.499 61 L N 3.171 124.391 121.223 -0.005 0.000 2.552 61 L HA 0.030 4.370 4.340 0.000 0.000 0.227 61 L C 1.956 178.821 176.870 -0.008 0.000 1.146 61 L CA 0.439 55.278 54.840 -0.001 0.000 0.858 61 L CB -0.054 42.006 42.059 0.002 0.000 0.969 61 L HN 0.250 nan 8.230 nan 0.000 0.451 62 K N -0.032 120.360 120.400 -0.015 0.000 2.393 62 K HA 0.063 4.383 4.320 0.000 0.000 0.193 62 K C 1.016 177.612 176.600 -0.006 0.000 1.026 62 K CA 0.100 56.379 56.287 -0.014 0.000 1.064 62 K CB 0.341 32.828 32.500 -0.020 0.000 0.833 62 K HN 0.281 nan 8.250 nan 0.000 0.521 63 S N 0.595 116.293 115.700 -0.004 0.000 2.585 63 S HA 0.124 4.594 4.470 0.000 0.000 0.277 63 S C 0.614 175.215 174.600 0.003 0.000 1.241 63 S CA -0.785 57.415 58.200 -0.001 0.000 1.041 63 S CB 1.541 64.740 63.200 -0.001 0.000 0.987 63 S HN -0.006 nan 8.310 nan 0.000 0.512 64 D N 1.123 121.525 120.400 0.004 0.000 2.178 64 D HA -0.169 4.471 4.640 0.000 0.000 0.201 64 D C 1.747 178.051 176.300 0.007 0.000 0.980 64 D CA 1.385 55.388 54.000 0.006 0.000 0.842 64 D CB -0.073 40.730 40.800 0.005 0.000 0.948 64 D HN 0.828 nan 8.370 nan 0.000 0.472 65 Q N 0.689 120.492 119.800 0.005 0.000 2.083 65 Q HA -0.081 4.259 4.340 0.000 0.000 0.198 65 Q C 2.188 178.191 176.000 0.005 0.000 0.969 65 Q CA 1.578 57.384 55.803 0.004 0.000 0.838 65 Q CB -0.182 28.556 28.738 0.002 0.000 0.900 65 Q HN 0.201 nan 8.270 nan 0.000 0.436 66 G N 1.476 110.279 108.800 0.004 0.000 2.418 66 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 66 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 66 G C 1.362 176.269 174.900 0.012 0.000 1.158 66 G CA 0.829 45.932 45.100 0.005 0.000 0.771 66 G HN 0.382 nan 8.290 nan 0.000 0.545 67 L N 0.815 122.047 121.223 0.014 0.000 2.012 67 L HA -0.035 4.305 4.340 0.000 0.000 0.210 67 L C 2.530 179.415 176.870 0.026 0.000 1.073 67 L CA 2.653 57.507 54.840 0.023 0.000 0.748 67 L CB -0.786 41.286 42.059 0.021 0.000 0.891 67 L HN 0.431 nan 8.230 nan 0.000 0.431 68 E N -0.850 119.362 120.200 0.020 0.000 2.110 68 E HA -0.218 4.132 4.350 0.000 0.000 0.193 68 E C 2.269 178.882 176.600 0.022 0.000 0.988 68 E CA 1.329 57.742 56.400 0.021 0.000 0.804 68 E CB -0.146 29.563 29.700 0.016 0.000 0.745 68 E HN 0.592 nan 8.360 nan 0.000 0.458 69 L N 0.094 121.326 121.223 0.015 0.000 2.072 69 L HA -0.108 4.232 4.340 0.000 0.000 0.205 69 L C 2.621 179.501 176.870 0.016 0.000 1.079 69 L CA 0.880 55.726 54.840 0.010 0.000 0.752 69 L CB -0.414 41.644 42.059 -0.002 0.000 0.906 69 L HN 0.195 nan 8.230 nan 0.000 0.436 70 A N 0.326 123.159 122.820 0.021 0.000 1.865 70 A HA -0.227 4.093 4.320 0.000 0.000 0.217 70 A C 2.218 179.834 177.584 0.052 0.000 1.191 70 A CA 1.653 53.710 52.037 0.033 0.000 0.623 70 A CB -0.896 18.127 19.000 0.038 0.000 0.826 70 A HN 0.357 nan 8.150 nan 0.000 0.444 71 L N -0.882 120.374 121.223 0.054 0.000 2.127 71 L HA -0.234 4.106 4.340 0.000 0.000 0.211 71 L C 2.611 179.523 176.870 0.070 0.000 1.089 71 L CA 1.763 56.642 54.840 0.064 0.000 0.757 71 L CB -0.374 41.718 42.059 0.055 0.000 0.899 71 L HN 0.398 nan 8.230 nan 0.000 0.434 72 K N -0.685 119.752 120.400 0.061 0.000 2.097 72 K HA -0.160 4.160 4.320 0.000 0.000 0.205 72 K C 2.010 178.677 176.600 0.111 0.000 1.050 72 K CA 0.827 57.157 56.287 0.071 0.000 0.938 72 K CB -0.093 32.438 32.500 0.051 0.000 0.718 72 K HN 0.065 nan 8.250 nan 0.000 0.442 73 L N 1.381 122.668 121.223 0.107 0.000 2.017 73 L HA -0.136 4.204 4.340 0.000 0.000 0.208 73 L C 2.008 179.038 176.870 0.266 0.000 1.073 73 L CA 1.576 56.518 54.840 0.171 0.000 0.745 73 L CB -0.454 41.642 42.059 0.062 0.000 0.894 73 L HN 0.146 nan 8.230 nan 0.000 0.432 74 I N -0.951 119.718 120.570 0.165 0.000 2.315 74 I HA -0.269 3.901 4.170 0.000 0.000 0.248 74 I C 2.490 178.675 176.117 0.113 0.000 1.117 74 I CA 1.053 62.436 61.300 0.138 0.000 1.404 74 I CB -0.515 37.544 38.000 0.099 0.000 1.071 74 I HN 0.234 nan 8.210 nan 0.000 0.419 75 A N 0.209 123.090 122.820 0.102 0.000 2.032 75 A HA -0.198 4.122 4.320 0.000 0.000 0.221 75 A C 2.089 179.706 177.584 0.056 0.000 1.165 75 A CA 1.623 53.704 52.037 0.073 0.000 0.645 75 A CB -0.252 18.788 19.000 0.067 0.000 0.807 75 A HN 0.247 nan 8.150 nan 0.000 0.453 76 K N -0.903 119.554 120.400 0.094 0.000 2.373 76 K HA 0.411 4.731 4.320 0.000 0.000 0.202 76 K C 0.344 176.833 176.600 -0.185 0.000 1.025 76 K CA 0.597 56.893 56.287 0.015 0.000 1.115 76 K CB 0.335 32.922 32.500 0.144 0.000 0.858 76 K HN 0.449 nan 8.250 nan 0.000 0.525 77 A N 0.745 123.511 122.820 -0.090 0.000 2.281 77 A HA 0.328 4.648 4.320 0.000 0.000 0.329 77 A C 0.365 177.869 177.584 -0.134 0.000 1.122 77 A CA -0.486 51.439 52.037 -0.187 0.000 0.850 77 A CB 0.821 19.853 19.000 0.054 0.000 1.207 77 A HN -0.004 nan 8.150 nan 0.000 0.495 78 D N -0.710 119.605 120.400 -0.142 0.000 2.262 78 D HA 0.141 4.781 4.640 0.000 0.000 0.212 78 D C -0.052 176.227 176.300 -0.034 0.000 0.964 78 D CA 1.360 55.310 54.000 -0.084 0.000 0.875 78 D CB 0.491 41.233 40.800 -0.096 0.000 0.996 78 D HN 0.213 nan 8.370 nan 0.000 0.497 79 V N 1.547 121.445 119.914 -0.026 0.000 2.709 79 V HA 0.351 4.471 4.120 0.000 0.000 0.308 79 V C -0.840 175.239 176.094 -0.025 0.000 1.062 79 V CA -0.960 61.331 62.300 -0.014 0.000 0.901 79 V CB 2.812 34.629 31.823 -0.010 0.000 1.003 79 V HN -0.068 nan 8.190 nan 0.000 0.425 80 L N 5.440 126.614 121.223 -0.082 0.000 2.333 80 L HA 0.695 5.035 4.340 0.000 0.000 0.280 80 L C -0.802 175.939 176.870 -0.215 0.000 1.004 80 L CA 0.071 54.810 54.840 -0.168 0.000 0.820 80 L CB 1.341 43.212 42.059 -0.313 0.000 1.247 80 L HN 0.577 nan 8.230 nan 0.000 0.416 81 I N 4.583 125.062 120.570 -0.151 0.000 2.339 81 I HA 0.442 4.612 4.170 0.000 0.000 0.290 81 I C -0.693 175.314 176.117 -0.183 0.000 0.994 81 I CA -0.412 60.804 61.300 -0.140 0.000 1.191 81 I CB 1.532 39.488 38.000 -0.073 0.000 1.343 81 I HN 0.713 nan 8.210 nan 0.000 0.458 82 E N 4.479 124.556 120.200 -0.205 0.000 2.293 82 E HA 0.681 5.031 4.350 0.000 0.000 0.270 82 E C -0.279 176.168 176.600 -0.255 0.000 0.879 82 E CA -0.894 55.352 56.400 -0.255 0.000 0.756 82 E CB 1.879 31.489 29.700 -0.151 0.000 1.208 82 E HN 0.547 nan 8.360 nan 0.000 0.428 83 G N 1.910 110.427 108.800 -0.472 0.000 4.238 83 G HA2 0.213 4.173 3.960 0.000 0.000 0.292 83 G HA3 0.213 4.173 3.960 0.000 0.000 0.292 83 G C -0.886 173.846 174.900 -0.280 0.000 1.036 83 G CA -0.327 44.584 45.100 -0.315 0.000 0.812 83 G HN 0.389 nan 8.290 nan 0.000 0.489 84 Y N 0.365 120.681 120.300 0.028 0.000 2.340 84 Y HA 0.479 5.029 4.550 -0.000 0.000 0.327 84 Y C 1.315 177.235 175.900 0.034 0.000 1.321 84 Y CA -1.101 57.017 58.100 0.031 0.000 1.433 84 Y CB 0.779 39.262 38.460 0.039 0.000 1.373 84 Y HN -0.131 nan 8.280 nan 0.000 0.538 85 R N 1.462 122.090 120.500 0.214 0.000 2.697 85 R HA 0.008 4.348 4.340 0.000 0.000 0.265 85 R C -2.459 173.923 176.300 0.137 0.000 1.009 85 R CA -1.308 54.877 56.100 0.141 0.000 1.099 85 R CB -0.430 29.940 30.300 0.117 0.000 0.965 85 R HN 0.282 nan 8.270 nan 0.000 0.428 86 P HA -0.044 nan 4.420 nan 0.000 0.266 86 P C 0.620 177.968 177.300 0.081 0.000 1.195 86 P CA 0.824 63.979 63.100 0.092 0.000 0.768 86 P CB 0.670 32.412 31.700 0.070 0.000 0.838 87 G N 0.647 109.493 108.800 0.076 0.000 2.299 87 G HA2 -0.313 3.647 3.960 0.000 0.000 0.237 87 G HA3 -0.313 3.647 3.960 0.000 0.000 0.237 87 G C 1.080 176.016 174.900 0.060 0.000 1.027 87 G CA 0.256 45.389 45.100 0.055 0.000 0.619 87 G HN 0.396 nan 8.290 nan 0.000 0.513 88 V N 2.162 122.124 119.914 0.081 0.000 2.295 88 V HA -0.189 3.931 4.120 0.000 0.000 0.246 88 V C 3.267 179.396 176.094 0.059 0.000 1.049 88 V CA 3.640 65.969 62.300 0.048 0.000 1.024 88 V CB -1.161 30.687 31.823 0.043 0.000 0.648 88 V HN 0.929 nan 8.190 nan 0.000 0.447 89 T N -1.759 112.884 114.554 0.149 0.000 2.788 89 T HA -0.216 4.134 4.350 0.000 0.000 0.268 89 T C 1.640 176.409 174.700 0.115 0.000 1.044 89 T CA 1.593 63.796 62.100 0.172 0.000 1.139 89 T CB -0.373 68.677 68.868 0.303 0.000 0.867 89 T HN 0.455 nan 8.240 nan 0.000 0.454 90 E N 1.415 121.666 120.200 0.086 0.000 2.038 90 E HA -0.055 4.295 4.350 0.000 0.000 0.195 90 E C 2.511 179.132 176.600 0.035 0.000 1.000 90 E CA 1.172 57.600 56.400 0.047 0.000 0.803 90 E CB -0.272 29.444 29.700 0.026 0.000 0.750 90 E HN 0.498 nan 8.360 nan 0.000 0.448 91 R N -0.036 120.480 120.500 0.027 0.000 2.193 91 R HA -0.047 4.293 4.340 0.000 0.000 0.229 91 R C 2.005 178.310 176.300 0.010 0.000 1.110 91 R CA 0.741 56.849 56.100 0.013 0.000 0.988 91 R CB -0.207 30.095 30.300 0.004 0.000 0.871 91 R HN 0.221 nan 8.270 nan 0.000 0.458 92 L N -0.798 120.435 121.223 0.016 0.000 2.492 92 L HA 0.128 4.468 4.340 0.000 0.000 0.223 92 L C 1.106 177.994 176.870 0.029 0.000 1.132 92 L CA 0.473 55.321 54.840 0.014 0.000 0.850 92 L CB 0.139 42.205 42.059 0.011 0.000 0.966 92 L HN 0.419 nan 8.230 nan 0.000 0.454 93 G N 0.439 109.262 108.800 0.039 0.000 2.149 93 G HA2 -0.269 3.691 3.960 0.000 0.000 0.235 93 G HA3 -0.269 3.691 3.960 0.000 0.000 0.235 93 G C 0.394 175.335 174.900 0.068 0.000 1.018 93 G CA 0.111 45.237 45.100 0.044 0.000 0.728 93 G HN 0.327 nan 8.290 nan 0.000 0.508 94 L N 0.227 121.509 121.223 0.098 0.000 3.069 94 L HA 0.398 4.738 4.340 0.000 0.000 0.271 94 L C 1.744 178.761 176.870 0.245 0.000 1.201 94 L CA -0.062 54.870 54.840 0.153 0.000 1.015 94 L CB 0.444 42.590 42.059 0.146 0.000 1.371 94 L HN 0.333 nan 8.230 nan 0.000 0.574 95 G N 0.706 109.598 108.800 0.153 0.000 2.699 95 G HA2 0.130 4.090 3.960 0.000 0.000 0.246 95 G HA3 0.130 4.090 3.960 0.000 0.000 0.246 95 G C -1.751 173.102 174.900 -0.078 0.000 1.219 95 G CA -0.682 44.458 45.100 0.067 0.000 0.866 95 G HN -0.030 nan 8.290 nan 0.000 0.572 96 P HA -0.092 nan 4.420 nan 0.000 0.216 96 P C 1.448 178.635 177.300 -0.188 0.000 1.150 96 P CA 1.372 64.099 63.100 -0.621 0.000 0.843 96 P CB 0.229 31.497 31.700 -0.720 0.000 0.787 97 E N -0.728 119.396 120.200 -0.128 0.000 2.152 97 E HA -0.146 4.204 4.350 0.000 0.000 0.192 97 E C 1.895 178.486 176.600 -0.015 0.000 0.983 97 E CA 0.641 57.007 56.400 -0.057 0.000 0.818 97 E CB -0.254 29.416 29.700 -0.048 0.000 0.758 97 E HN 0.280 nan 8.360 nan 0.000 0.467 98 E N 0.204 120.407 120.200 0.004 0.000 2.112 98 E HA -0.098 4.252 4.350 0.000 0.000 0.190 98 E C 2.134 178.768 176.600 0.056 0.000 0.979 98 E CA 0.529 56.949 56.400 0.033 0.000 0.814 98 E CB -0.300 29.428 29.700 0.047 0.000 0.762 98 E HN 0.264 nan 8.360 nan 0.000 0.460 99 C N 0.860 120.214 119.300 0.089 0.000 2.435 99 C HA 0.006 4.466 4.460 0.000 0.000 0.279 99 C C 2.788 177.829 174.990 0.086 0.000 1.321 99 C CA 0.620 59.714 59.018 0.127 0.000 1.752 99 C CB -0.955 26.939 27.740 0.257 0.000 1.959 99 C HN 0.454 nan 8.230 nan 0.000 0.500 100 A N 0.911 123.762 122.820 0.051 0.000 1.908 100 A HA -0.229 4.091 4.320 0.000 0.000 0.218 100 A C 2.116 179.717 177.584 0.027 0.000 1.181 100 A CA 1.680 53.736 52.037 0.031 0.000 0.627 100 A CB -0.464 18.539 19.000 0.005 0.000 0.818 100 A HN 0.700 nan 8.150 nan 0.000 0.445 101 K N -0.464 119.951 120.400 0.025 0.000 2.280 101 K HA -0.079 4.241 4.320 0.000 0.000 0.202 101 K C 1.599 178.215 176.600 0.025 0.000 1.047 101 K CA 1.511 57.810 56.287 0.021 0.000 0.942 101 K CB -0.204 32.308 32.500 0.019 0.000 0.739 101 K HN 0.597 nan 8.250 nan 0.000 0.457 102 V N -3.102 116.833 119.914 0.035 0.000 3.621 102 V HA 0.170 4.290 4.120 0.000 0.000 0.263 102 V C 0.104 176.219 176.094 0.035 0.000 1.272 102 V CA -0.029 62.293 62.300 0.036 0.000 1.080 102 V CB -0.116 31.735 31.823 0.046 0.000 0.816 102 V HN 0.253 nan 8.190 nan 0.000 0.451 103 N N 1.212 119.934 118.700 0.038 0.000 2.932 103 N HA 0.115 4.855 4.740 0.000 0.000 0.242 103 N C -0.450 175.080 175.510 0.034 0.000 1.351 103 N CA 0.426 53.496 53.050 0.033 0.000 0.785 103 N CB 1.014 39.525 38.487 0.041 0.000 1.501 103 N HN 0.386 nan 8.380 nan 0.000 0.584 104 D N 2.071 122.483 120.400 0.020 0.000 2.328 104 D HA 0.022 4.662 4.640 0.000 0.000 0.226 104 D C 0.810 177.118 176.300 0.013 0.000 1.066 104 D CA 0.090 54.101 54.000 0.019 0.000 0.861 104 D CB 0.159 40.965 40.800 0.009 0.000 0.912 104 D HN 0.465 nan 8.370 nan 0.000 0.521 105 R N -0.422 120.083 120.500 0.008 0.000 2.317 105 R HA 0.210 4.550 4.340 0.000 0.000 0.208 105 R C 0.216 176.522 176.300 0.009 0.000 0.914 105 R CA -0.481 55.618 56.100 -0.002 0.000 1.060 105 R CB 0.158 30.446 30.300 -0.020 0.000 1.015 105 R HN 0.130 nan 8.270 nan 0.000 0.498 106 L N 1.900 123.143 121.223 0.033 0.000 2.367 106 L HA 0.169 4.509 4.340 0.000 0.000 0.275 106 L C -0.328 176.588 176.870 0.076 0.000 1.129 106 L CA 0.012 54.883 54.840 0.053 0.000 0.839 106 L CB 0.591 42.703 42.059 0.089 0.000 1.133 106 L HN -0.065 nan 8.230 nan 0.000 0.453 107 I N 6.302 126.908 120.570 0.059 0.000 2.308 107 I HA 0.052 4.222 4.170 0.000 0.000 0.293 107 I C -0.518 175.661 176.117 0.103 0.000 1.078 107 I CA -0.047 61.301 61.300 0.080 0.000 1.292 107 I CB -0.310 37.720 38.000 0.051 0.000 1.423 107 I HN 0.600 nan 8.210 nan 0.000 0.493 108 Y N 5.811 126.124 120.300 0.022 0.000 2.518 108 Y HA 0.542 5.092 4.550 -0.000 0.000 0.344 108 Y C 0.326 176.240 175.900 0.024 0.000 0.982 108 Y CA -0.635 57.480 58.100 0.026 0.000 1.234 108 Y CB 0.861 39.337 38.460 0.026 0.000 1.114 108 Y HN 0.667 nan 8.280 nan 0.000 0.515 109 A N 7.598 130.434 122.820 0.027 0.000 2.253 109 A HA 0.539 4.859 4.320 0.000 0.000 0.316 109 A C -0.585 177.022 177.584 0.038 0.000 1.327 109 A CA -0.866 51.203 52.037 0.054 0.000 0.917 109 A CB 0.185 19.192 19.000 0.012 0.000 1.162 109 A HN 0.854 nan 8.150 nan 0.000 0.535 110 R N 2.543 123.113 120.500 0.116 0.000 2.215 110 R HA 0.387 4.727 4.340 0.000 0.000 0.336 110 R C -0.794 175.523 176.300 0.029 0.000 0.996 110 R CA -0.521 55.636 56.100 0.094 0.000 0.847 110 R CB 1.221 31.621 30.300 0.168 0.000 1.127 110 R HN 0.686 nan 8.270 nan 0.000 0.465 111 M N 3.486 123.075 119.600 -0.018 0.000 2.069 111 M HA 0.147 4.627 4.480 0.000 0.000 0.349 111 M C -0.578 175.668 176.300 -0.090 0.000 1.194 111 M CA 0.077 55.348 55.300 -0.049 0.000 1.081 111 M CB 0.915 33.486 32.600 -0.049 0.000 1.500 111 M HN 0.718 nan 8.290 nan 0.000 0.438 112 T N 0.791 115.269 114.554 -0.126 0.000 2.907 112 T HA 0.769 5.119 4.350 0.000 0.000 0.290 112 T C 0.744 175.178 174.700 -0.442 0.000 1.066 112 T CA -0.483 61.494 62.100 -0.205 0.000 1.012 112 T CB 1.375 70.179 68.868 -0.106 0.000 1.184 112 T HN 0.521 nan 8.240 nan 0.000 0.522 113 G N -0.832 107.480 108.800 -0.814 0.000 2.404 113 G HA2 0.035 3.995 3.960 0.000 0.000 0.213 113 G HA3 0.035 3.995 3.960 0.000 0.000 0.213 113 G C 0.752 175.002 174.900 -1.083 0.000 1.189 113 G CA -0.222 43.731 45.100 -1.912 0.000 0.796 113 G HN 0.831 nan 8.290 nan 0.000 0.532 114 W N 0.558 121.613 121.300 -0.408 0.000 3.114 114 W HA 0.446 5.106 4.660 -0.000 0.000 0.279 114 W C 1.348 177.801 176.519 -0.109 0.000 1.277 114 W CA 0.115 57.371 57.345 -0.148 0.000 1.630 114 W CB 0.606 30.057 29.460 -0.014 0.000 1.087 114 W HN 0.550 nan 8.180 nan 0.000 0.637 115 G N 0.478 109.323 108.800 0.074 0.000 2.655 115 G HA2 -0.240 3.720 3.960 0.000 0.000 0.680 115 G HA3 -0.240 3.720 3.960 0.000 0.000 0.680 115 G C 0.269 175.204 174.900 0.058 0.000 1.302 115 G CA -0.369 44.755 45.100 0.040 0.000 0.872 115 G HN -0.020 nan 8.290 nan 0.000 0.540 116 Q N -0.443 119.379 119.800 0.037 0.000 2.311 116 Q HA 0.114 4.454 4.340 0.000 0.000 0.203 116 Q C 1.802 177.821 176.000 0.032 0.000 0.954 116 Q CA 2.067 57.892 55.803 0.037 0.000 0.885 116 Q CB 0.035 28.788 28.738 0.025 0.000 0.963 116 Q HN 1.253 nan 8.270 nan 0.000 0.471 117 T N -4.236 110.334 114.554 0.026 0.000 2.716 117 T HA 0.716 5.066 4.350 0.000 0.000 0.286 117 T C 0.062 174.767 174.700 0.008 0.000 1.052 117 T CA -0.259 61.850 62.100 0.013 0.000 1.024 117 T CB 2.309 71.179 68.868 0.002 0.000 1.349 117 T HN 0.317 nan 8.240 nan 0.000 0.525 118 G N 0.919 109.712 108.800 -0.012 0.000 2.619 118 G HA2 0.103 4.063 3.960 0.000 0.000 0.686 118 G HA3 0.103 4.063 3.960 0.000 0.000 0.686 118 G C -2.083 172.781 174.900 -0.061 0.000 1.256 118 G CA -0.274 44.805 45.100 -0.035 0.000 0.826 118 G HN 0.715 nan 8.290 nan 0.000 0.619 119 P HA -0.123 nan 4.420 nan 0.000 0.217 119 P C 1.447 178.651 177.300 -0.161 0.000 1.148 119 P CA 1.333 64.367 63.100 -0.110 0.000 0.828 119 P CB 0.040 31.666 31.700 -0.122 0.000 0.783 120 R N -0.484 119.861 120.500 -0.258 0.000 2.334 120 R HA 0.117 4.457 4.340 0.000 0.000 0.216 120 R C 2.228 178.394 176.300 -0.225 0.000 0.905 120 R CA 0.485 56.325 56.100 -0.433 0.000 1.064 120 R CB -0.237 29.425 30.300 -1.064 0.000 1.046 120 R HN 0.266 nan 8.270 nan 0.000 0.508 121 S N 0.457 116.128 115.700 -0.047 0.000 2.442 121 S HA -0.132 4.338 4.470 0.000 0.000 0.236 121 S C 1.558 176.232 174.600 0.124 0.000 1.007 121 S CA 0.824 59.079 58.200 0.092 0.000 0.965 121 S CB 0.084 63.321 63.200 0.061 0.000 0.773 121 S HN 0.193 nan 8.310 nan 0.000 0.504 122 Q N 0.670 120.513 119.800 0.072 0.000 2.280 122 Q HA 0.306 4.646 4.340 0.000 0.000 0.201 122 Q C 0.136 176.202 176.000 0.109 0.000 0.890 122 Q CA 0.081 55.934 55.803 0.083 0.000 0.947 122 Q CB 0.199 28.964 28.738 0.044 0.000 1.081 122 Q HN 0.738 nan 8.270 nan 0.000 0.502 123 Q N 0.304 120.195 119.800 0.153 0.000 2.256 123 Q HA 0.494 4.834 4.340 0.000 0.000 0.254 123 Q C -0.685 175.506 176.000 0.319 0.000 0.916 123 Q CA -0.341 55.572 55.803 0.184 0.000 0.932 123 Q CB 1.187 29.980 28.738 0.093 0.000 1.207 123 Q HN 0.215 nan 8.270 nan 0.000 0.426 124 A N 2.574 125.515 122.820 0.202 0.000 2.492 124 A HA 0.580 4.900 4.320 0.000 0.000 0.236 124 A C 0.342 178.031 177.584 0.175 0.000 1.078 124 A CA 0.769 52.892 52.037 0.144 0.000 0.773 124 A CB 0.193 19.242 19.000 0.081 0.000 1.023 124 A HN 0.878 nan 8.150 nan 0.000 0.504 125 G N -0.147 108.636 108.800 -0.027 0.000 2.441 125 G HA2 0.559 4.519 3.960 0.000 0.000 0.294 125 G HA3 0.559 4.519 3.960 0.000 0.000 0.294 125 G C -1.332 173.194 174.900 -0.623 0.000 1.393 125 G CA -0.659 44.304 45.100 -0.228 0.000 0.796 125 G HN 0.864 nan 8.290 nan 0.000 0.494 126 H N -0.927 117.804 119.070 -0.565 0.000 2.931 126 H HA 0.359 4.915 4.556 -0.000 0.000 0.331 126 H C 0.675 175.547 175.328 -0.761 0.000 1.273 126 H CA -0.207 55.574 56.048 -0.444 0.000 1.171 126 H CB 2.390 32.023 29.762 -0.215 0.000 1.898 126 H HN 0.648 nan 8.280 nan 0.000 0.562 127 D N 0.809 121.100 120.400 -0.182 0.000 2.204 127 D HA -0.200 4.440 4.640 0.000 0.000 0.189 127 D C 1.882 178.048 176.300 -0.223 0.000 1.006 127 D CA 1.815 55.724 54.000 -0.150 0.000 0.855 127 D CB 0.060 40.808 40.800 -0.086 0.000 0.946 127 D HN 0.522 nan 8.370 nan 0.000 0.448 128 I N 0.369 120.840 120.570 -0.164 0.000 2.264 128 I HA -0.329 3.841 4.170 0.000 0.000 0.248 128 I C 1.727 177.765 176.117 -0.133 0.000 1.111 128 I CA 1.581 62.819 61.300 -0.103 0.000 1.382 128 I CB -0.191 37.771 38.000 -0.064 0.000 1.060 128 I HN 0.076 nan 8.210 nan 0.000 0.418 129 N N -0.297 118.237 118.700 -0.275 0.000 2.120 129 N HA -0.227 4.513 4.740 0.000 0.000 0.188 129 N C 1.632 177.029 175.510 -0.188 0.000 1.024 129 N CA 1.700 54.618 53.050 -0.220 0.000 0.852 129 N CB -0.357 37.979 38.487 -0.253 0.000 1.003 129 N HN 0.340 nan 8.380 nan 0.000 0.424 130 Y N 1.242 121.365 120.300 -0.295 0.000 2.181 130 Y HA -0.038 4.512 4.550 -0.000 0.000 0.288 130 Y C 2.101 177.958 175.900 -0.072 0.000 1.146 130 Y CA 0.427 58.267 58.100 -0.433 0.000 1.164 130 Y CB -0.892 37.236 38.460 -0.554 0.000 0.982 130 Y HN 0.174 nan 8.280 nan 0.000 0.515 131 I N -1.721 118.886 120.570 0.060 0.000 3.428 131 I HA 0.002 4.172 4.170 0.000 0.000 0.286 131 I C 1.896 178.080 176.117 0.111 0.000 1.287 131 I CA 1.050 62.403 61.300 0.089 0.000 1.396 131 I CB -0.499 37.533 38.000 0.054 0.000 1.062 131 I HN 0.125 nan 8.210 nan 0.000 0.471 132 S N 1.284 117.053 115.700 0.114 0.000 2.436 132 S HA -0.011 4.459 4.470 0.000 0.000 0.228 132 S C 1.767 176.472 174.600 0.175 0.000 1.014 132 S CA 0.403 58.682 58.200 0.132 0.000 0.950 132 S CB -0.445 62.824 63.200 0.115 0.000 0.784 132 S HN 0.469 nan 8.310 nan 0.000 0.504 133 L N 2.762 124.127 121.223 0.237 0.000 2.558 133 L HA 0.337 4.677 4.340 0.000 0.000 0.225 133 L C 1.237 178.231 176.870 0.207 0.000 1.128 133 L CA 0.720 55.704 54.840 0.240 0.000 0.868 133 L CB -0.388 41.889 42.059 0.362 0.000 1.006 133 L HN 0.698 nan 8.230 nan 0.000 0.454 134 N N -2.901 115.927 118.700 0.214 0.000 2.241 134 N HA 0.221 4.961 4.740 0.000 0.000 0.238 134 N C 1.098 176.777 175.510 0.283 0.000 1.244 134 N CA 0.519 53.714 53.050 0.241 0.000 0.880 134 N CB 0.817 39.433 38.487 0.216 0.000 1.179 134 N HN 0.047 nan 8.380 nan 0.000 0.513 135 G N 1.497 110.415 108.800 0.197 0.000 2.217 135 G HA2 -0.318 3.642 3.960 0.000 0.000 0.246 135 G HA3 -0.318 3.642 3.960 0.000 0.000 0.246 135 G C 0.757 175.722 174.900 0.108 0.000 0.990 135 G CA 0.416 45.593 45.100 0.129 0.000 0.627 135 G HN 0.300 nan 8.290 nan 0.000 0.522 136 I N 0.198 120.838 120.570 0.117 0.000 2.058 136 I HA -0.174 3.996 4.170 0.000 0.000 0.235 136 I C 2.651 178.822 176.117 0.090 0.000 1.053 136 I CA 1.821 63.168 61.300 0.079 0.000 1.313 136 I CB -0.496 37.550 38.000 0.077 0.000 1.039 136 I HN 0.286 nan 8.210 nan 0.000 0.396 137 L N 0.457 121.737 121.223 0.095 0.000 2.089 137 L HA -0.324 4.016 4.340 0.000 0.000 0.213 137 L C 2.691 179.612 176.870 0.085 0.000 1.079 137 L CA 2.041 56.929 54.840 0.079 0.000 0.758 137 L CB -0.994 41.106 42.059 0.068 0.000 0.891 137 L HN 0.357 nan 8.230 nan 0.000 0.433 138 H N -0.703 118.392 119.070 0.042 0.000 2.489 138 H HA -0.038 4.518 4.556 -0.000 0.000 0.293 138 H C 1.725 177.079 175.328 0.043 0.000 1.066 138 H CA 1.209 57.281 56.048 0.039 0.000 1.305 138 H CB 0.328 30.115 29.762 0.041 0.000 1.386 138 H HN 0.505 nan 8.280 nan 0.000 0.551 139 A N 0.508 123.417 122.820 0.148 0.000 2.218 139 A HA 0.215 4.535 4.320 0.000 0.000 0.209 139 A C 0.950 178.593 177.584 0.099 0.000 1.168 139 A CA -0.173 51.964 52.037 0.166 0.000 0.804 139 A CB 0.050 19.175 19.000 0.209 0.000 0.834 139 A HN 0.234 nan 8.150 nan 0.000 0.482 140 I N 0.042 120.636 120.570 0.040 0.000 2.354 140 I HA 0.580 4.750 4.170 0.000 0.000 0.292 140 I C 0.665 176.773 176.117 -0.016 0.000 0.989 140 I CA 0.125 61.441 61.300 0.025 0.000 1.188 140 I CB 1.413 39.430 38.000 0.028 0.000 1.342 140 I HN 0.345 nan 8.210 nan 0.000 0.457 141 G N 5.065 113.854 108.800 -0.020 0.000 2.408 141 G HA2 -0.049 3.911 3.960 0.000 0.000 0.682 141 G HA3 -0.049 3.911 3.960 0.000 0.000 0.682 141 G C -1.022 173.844 174.900 -0.057 0.000 1.303 141 G CA -1.142 43.931 45.100 -0.045 0.000 0.966 141 G HN 0.418 nan 8.290 nan 0.000 0.560 142 R N 0.023 120.483 120.500 -0.067 0.000 2.594 142 R HA 0.426 4.766 4.340 0.000 0.000 0.272 142 R C 1.789 178.048 176.300 -0.068 0.000 1.074 142 R CA 0.244 56.302 56.100 -0.071 0.000 1.105 142 R CB 0.560 30.817 30.300 -0.071 0.000 1.008 142 R HN 1.101 nan 8.270 nan 0.000 0.472 143 G N 1.257 110.019 108.800 -0.065 0.000 2.484 143 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 143 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 143 G C 0.578 175.447 174.900 -0.052 0.000 1.130 143 G CA 0.462 45.525 45.100 -0.061 0.000 0.784 143 G HN 0.644 nan 8.290 nan 0.000 0.543 144 D N 0.072 120.444 120.400 -0.046 0.000 2.328 144 D HA 0.082 4.722 4.640 0.000 0.000 0.226 144 D C 0.572 176.850 176.300 -0.037 0.000 1.066 144 D CA 0.058 54.037 54.000 -0.035 0.000 0.861 144 D CB 0.092 40.875 40.800 -0.028 0.000 0.912 144 D HN 0.481 nan 8.370 nan 0.000 0.521 145 E N -0.122 120.050 120.200 -0.047 0.000 2.456 145 E HA 0.347 4.697 4.350 0.000 0.000 0.276 145 E C -0.330 176.236 176.600 -0.057 0.000 0.981 145 E CA -1.280 55.094 56.400 -0.045 0.000 0.814 145 E CB 1.562 31.237 29.700 -0.042 0.000 1.382 145 E HN 0.038 nan 8.360 nan 0.000 0.459 146 R N 0.163 120.635 120.500 -0.047 0.000 2.784 146 R HA 0.263 4.603 4.340 0.000 0.000 0.266 146 R C -2.330 173.931 176.300 -0.066 0.000 1.044 146 R CA -1.252 54.815 56.100 -0.054 0.000 1.151 146 R CB -0.726 29.555 30.300 -0.033 0.000 1.037 146 R HN 0.113 nan 8.270 nan 0.000 0.478 147 P HA -0.065 nan 4.420 nan 0.000 0.267 147 P C -0.787 176.488 177.300 -0.041 0.000 1.200 147 P CA -0.253 62.803 63.100 -0.073 0.000 0.772 147 P CB 0.716 32.374 31.700 -0.069 0.000 0.855 148 V N 4.697 124.590 119.914 -0.034 0.000 2.513 148 V HA 0.489 4.609 4.120 0.000 0.000 0.299 148 V C -2.382 173.706 176.094 -0.011 0.000 1.035 148 V CA -2.717 59.569 62.300 -0.024 0.000 0.889 148 V CB 1.745 33.550 31.823 -0.030 0.000 0.988 148 V HN 0.454 nan 8.190 nan 0.000 0.440 149 P HA 0.313 nan 4.420 nan 0.000 0.276 149 P C -2.635 174.672 177.300 0.010 0.000 1.235 149 P CA -1.646 61.455 63.100 0.001 0.000 0.772 149 P CB 0.184 31.881 31.700 -0.004 0.000 0.871 150 P HA 0.108 nan 4.420 nan 0.000 0.220 150 P C 0.362 177.694 177.300 0.053 0.000 1.806 150 P CA -0.002 63.119 63.100 0.034 0.000 0.976 150 P CB -0.351 31.373 31.700 0.040 0.000 1.952 151 L N -0.609 120.645 121.223 0.051 0.000 6.855 151 L HA -0.327 4.013 4.340 0.000 0.000 0.055 151 L C 1.209 178.109 176.870 0.049 0.000 1.527 151 L CA 1.651 56.530 54.840 0.064 0.000 1.709 151 L CB -1.412 40.713 42.059 0.110 0.000 2.675 151 L HN 0.364 nan 8.230 nan 0.000 1.057 152 N N 0.200 118.941 118.700 0.068 0.000 2.380 152 N HA 0.218 4.958 4.740 0.000 0.000 0.255 152 N C 0.689 176.218 175.510 0.031 0.000 1.158 152 N CA -0.012 53.036 53.050 -0.004 0.000 0.878 152 N CB 0.175 38.616 38.487 -0.077 0.000 1.138 152 N HN 0.631 nan 8.380 nan 0.000 0.509 153 L N -0.590 120.718 121.223 0.140 0.000 2.240 153 L HA 0.051 4.391 4.340 0.000 0.000 0.211 153 L C 1.701 178.664 176.870 0.155 0.000 1.106 153 L CA 0.613 55.590 54.840 0.228 0.000 0.793 153 L CB 0.160 42.326 42.059 0.179 0.000 0.927 153 L HN 0.050 nan 8.230 nan 0.000 0.446 154 V N -1.166 118.795 119.914 0.078 0.000 2.795 154 V HA 0.090 4.210 4.120 0.000 0.000 0.243 154 V C 2.254 178.371 176.094 0.040 0.000 1.069 154 V CA 1.395 63.738 62.300 0.072 0.000 1.089 154 V CB -0.159 31.700 31.823 0.061 0.000 0.756 154 V HN 0.449 nan 8.190 nan 0.000 0.471 155 G N -0.423 108.371 108.800 -0.010 0.000 2.508 155 G HA2 -0.111 3.849 3.960 0.000 0.000 0.212 155 G HA3 -0.111 3.849 3.960 0.000 0.000 0.212 155 G C 1.138 175.970 174.900 -0.112 0.000 1.206 155 G CA 0.650 45.735 45.100 -0.025 0.000 0.822 155 G HN 0.410 nan 8.290 nan 0.000 0.550 156 D N 0.188 120.418 120.400 -0.283 0.000 2.123 156 D HA -0.045 4.595 4.640 0.000 0.000 0.196 156 D C 1.974 177.918 176.300 -0.593 0.000 0.992 156 D CA 1.025 54.656 54.000 -0.615 0.000 0.833 156 D CB -0.077 40.004 40.800 -1.199 0.000 0.954 156 D HN 0.344 nan 8.370 nan 0.000 0.455 157 F N -0.496 119.459 119.950 0.009 0.000 2.534 157 F HA 0.297 4.824 4.527 -0.000 0.000 0.274 157 F C 2.552 178.416 175.800 0.108 0.000 0.917 157 F CA 0.353 58.357 58.000 0.008 0.000 1.145 157 F CB -1.110 37.788 39.000 -0.170 0.000 1.145 157 F HN -0.098 nan 8.300 nan 0.000 0.746 158 G N -0.092 108.876 108.800 0.279 0.000 2.476 158 G HA2 -0.131 3.829 3.960 0.000 0.000 0.218 158 G HA3 -0.131 3.829 3.960 0.000 0.000 0.218 158 G C 1.739 176.837 174.900 0.329 0.000 1.164 158 G CA 1.038 46.285 45.100 0.245 0.000 0.768 158 G HN 0.541 nan 8.290 nan 0.000 0.560 159 G N -0.553 108.401 108.800 0.257 0.000 3.284 159 G HA2 0.467 4.427 3.960 0.000 0.000 0.236 159 G HA3 0.467 4.427 3.960 0.000 0.000 0.236 159 G C 0.817 175.811 174.900 0.157 0.000 1.158 159 G CA 0.998 46.236 45.100 0.231 0.000 0.774 159 G HN 0.695 nan 8.290 nan 0.000 0.545 160 G N 0.562 109.483 108.800 0.202 0.000 2.477 160 G HA2 0.167 4.127 3.960 0.000 0.000 0.197 160 G HA3 0.167 4.127 3.960 0.000 0.000 0.197 160 G C 1.872 176.881 174.900 0.181 0.000 1.860 160 G CA 1.077 46.234 45.100 0.094 0.000 0.714 160 G HN 0.386 nan 8.290 nan 0.000 0.782 161 S N 0.653 116.485 115.700 0.220 0.000 2.387 161 S HA -0.151 4.319 4.470 0.000 0.000 0.230 161 S C 2.364 177.098 174.600 0.224 0.000 1.035 161 S CA 1.883 60.243 58.200 0.267 0.000 1.014 161 S CB -0.353 63.146 63.200 0.498 0.000 0.836 161 S HN 0.140 nan 8.310 nan 0.000 0.466 162 M N 0.451 120.197 119.600 0.243 0.000 2.175 162 M HA 0.167 4.647 4.480 0.000 0.000 0.264 162 M C 1.851 178.138 176.300 -0.022 0.000 1.063 162 M CA 1.006 56.364 55.300 0.097 0.000 1.119 162 M CB -1.587 31.053 32.600 0.067 0.000 1.377 162 M HN 0.318 nan 8.290 nan 0.000 0.415 163 F N 0.031 120.016 119.950 0.058 0.000 2.206 163 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 163 F C 2.238 178.056 175.800 0.030 0.000 1.090 163 F CA 0.637 58.658 58.000 0.035 0.000 1.323 163 F CB -0.755 38.257 39.000 0.020 0.000 1.028 163 F HN 0.027 nan 8.300 nan 0.000 0.492 164 L N -0.042 121.298 121.223 0.196 0.000 2.042 164 L HA -0.227 4.113 4.340 0.000 0.000 0.210 164 L C 2.090 179.004 176.870 0.073 0.000 1.076 164 L CA 1.741 56.649 54.840 0.113 0.000 0.749 164 L CB -0.638 41.474 42.059 0.087 0.000 0.893 164 L HN 0.105 nan 8.230 nan 0.000 0.432 165 L N -2.231 119.024 121.223 0.054 0.000 2.005 165 L HA -0.210 4.130 4.340 0.000 0.000 0.207 165 L C 2.417 179.289 176.870 0.004 0.000 1.072 165 L CA 1.086 55.938 54.840 0.019 0.000 0.744 165 L CB -0.706 41.356 42.059 0.004 0.000 0.895 165 L HN 0.054 nan 8.230 nan 0.000 0.433 166 V N 0.388 120.283 119.914 -0.032 0.000 2.282 166 V HA -0.295 3.825 4.120 0.000 0.000 0.249 166 V C 2.611 178.714 176.094 0.014 0.000 1.057 166 V CA 2.196 64.468 62.300 -0.047 0.000 1.032 166 V CB -1.426 30.309 31.823 -0.146 0.000 0.645 166 V HN 0.613 nan 8.190 nan 0.000 0.447 167 G N -0.320 108.513 108.800 0.054 0.000 2.459 167 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 167 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 167 G C 1.571 176.510 174.900 0.065 0.000 1.183 167 G CA 1.196 46.342 45.100 0.075 0.000 0.776 167 G HN 0.484 nan 8.290 nan 0.000 0.552 168 I N 0.433 121.036 120.570 0.054 0.000 2.118 168 I HA -0.209 3.961 4.170 0.000 0.000 0.241 168 I C 2.749 178.895 176.117 0.049 0.000 1.070 168 I CA 1.052 62.379 61.300 0.046 0.000 1.327 168 I CB -0.250 37.769 38.000 0.030 0.000 1.034 168 I HN 0.126 nan 8.210 nan 0.000 0.405 169 L N 0.129 121.377 121.223 0.042 0.000 2.141 169 L HA -0.133 4.207 4.340 0.000 0.000 0.209 169 L C 2.748 179.670 176.870 0.086 0.000 1.094 169 L CA 1.050 55.921 54.840 0.051 0.000 0.763 169 L CB -0.688 41.390 42.059 0.031 0.000 0.908 169 L HN 0.238 nan 8.230 nan 0.000 0.437 170 A N 0.131 122.996 122.820 0.075 0.000 1.930 170 A HA -0.076 4.244 4.320 0.000 0.000 0.217 170 A C 2.532 180.218 177.584 0.170 0.000 1.175 170 A CA 1.462 53.563 52.037 0.107 0.000 0.627 170 A CB -0.578 18.459 19.000 0.061 0.000 0.815 170 A HN 0.360 nan 8.150 nan 0.000 0.443 171 A N -0.348 122.544 122.820 0.119 0.000 1.969 171 A HA 0.023 4.343 4.320 0.000 0.000 0.218 171 A C 2.101 179.743 177.584 0.098 0.000 1.169 171 A CA 1.323 53.423 52.037 0.105 0.000 0.635 171 A CB -0.511 18.536 19.000 0.079 0.000 0.810 171 A HN 0.466 nan 8.150 nan 0.000 0.445 172 L N -1.434 119.850 121.223 0.100 0.000 2.093 172 L HA -0.169 4.171 4.340 0.000 0.000 0.208 172 L C 2.588 179.521 176.870 0.106 0.000 1.085 172 L CA 1.177 56.063 54.840 0.076 0.000 0.755 172 L CB -0.447 41.648 42.059 0.060 0.000 0.904 172 L HN 0.824 nan 8.230 nan 0.000 0.435 173 W N 1.443 122.739 121.300 -0.006 0.000 2.354 173 W HA -0.222 4.438 4.660 0.000 0.000 0.315 173 W C 2.220 178.737 176.519 -0.003 0.000 1.206 173 W CA 1.724 59.067 57.345 -0.005 0.000 1.290 173 W CB -0.221 29.238 29.460 -0.001 0.000 1.152 173 W HN 0.221 nan 8.180 nan 0.000 0.489 174 E N 1.161 121.420 120.200 0.098 0.000 2.097 174 E HA -0.295 4.055 4.350 0.000 0.000 0.196 174 E C 2.278 178.807 176.600 -0.119 0.000 1.000 174 E CA 1.630 58.012 56.400 -0.030 0.000 0.804 174 E CB -0.538 29.220 29.700 0.096 0.000 0.740 174 E HN 0.318 nan 8.360 nan 0.000 0.454 175 R N 0.269 120.728 120.500 -0.068 0.000 2.127 175 R HA -0.170 4.170 4.340 0.000 0.000 0.238 175 R C 2.458 178.683 176.300 -0.125 0.000 1.134 175 R CA 1.721 57.778 56.100 -0.072 0.000 0.975 175 R CB -0.043 30.234 30.300 -0.038 0.000 0.865 175 R HN 0.277 nan 8.270 nan 0.000 0.447 176 Q N -0.604 119.076 119.800 -0.199 0.000 2.152 176 Q HA -0.181 4.159 4.340 0.000 0.000 0.206 176 Q C 1.843 177.709 176.000 -0.224 0.000 0.985 176 Q CA 2.247 57.906 55.803 -0.241 0.000 0.863 176 Q CB 0.032 28.534 28.738 -0.394 0.000 0.904 176 Q HN 0.462 nan 8.270 nan 0.000 0.422 177 S N -1.493 114.064 115.700 -0.238 0.000 2.524 177 S HA 0.055 4.525 4.470 0.000 0.000 0.222 177 S C 1.813 176.346 174.600 -0.112 0.000 1.040 177 S CA 0.217 58.309 58.200 -0.179 0.000 0.915 177 S CB 0.359 63.434 63.200 -0.209 0.000 0.831 177 S HN 0.301 nan 8.310 nan 0.000 0.492 178 S N 1.133 116.775 115.700 -0.097 0.000 2.478 178 S HA 0.405 4.875 4.470 0.000 0.000 0.222 178 S C 1.885 176.454 174.600 -0.051 0.000 1.008 178 S CA 0.839 59.003 58.200 -0.059 0.000 0.928 178 S CB -0.676 62.500 63.200 -0.040 0.000 0.781 178 S HN 1.471 nan 8.310 nan 0.000 0.518 179 G N 0.928 109.691 108.800 -0.062 0.000 2.184 179 G HA2 -0.272 3.688 3.960 0.000 0.000 0.264 179 G HA3 -0.272 3.688 3.960 0.000 0.000 0.264 179 G C 0.010 174.888 174.900 -0.037 0.000 0.975 179 G CA 0.711 45.780 45.100 -0.051 0.000 0.642 179 G HN 0.634 nan 8.290 nan 0.000 0.536 180 K N -0.154 120.228 120.400 -0.030 0.000 2.340 180 K HA 0.612 4.932 4.320 0.000 0.000 0.244 180 K C 0.901 177.499 176.600 -0.004 0.000 0.973 180 K CA -0.309 55.970 56.287 -0.014 0.000 0.828 180 K CB 1.798 34.292 32.500 -0.009 0.000 1.226 180 K HN 0.202 nan 8.250 nan 0.000 0.437 181 G N 0.296 109.102 108.800 0.010 0.000 2.543 181 G HA2 0.456 4.416 3.960 0.000 0.000 0.267 181 G HA3 0.456 4.416 3.960 0.000 0.000 0.267 181 G C -0.790 174.131 174.900 0.034 0.000 1.406 181 G CA -0.015 45.102 45.100 0.027 0.000 1.048 181 G HN 0.669 nan 8.290 nan 0.000 0.548 182 Q N -3.363 116.469 119.800 0.053 0.000 2.975 182 Q HA 0.410 4.750 4.340 0.000 0.000 0.324 182 Q C -1.936 174.111 176.000 0.078 0.000 0.830 182 Q CA -0.927 54.905 55.803 0.048 0.000 0.818 182 Q CB 1.036 29.796 28.738 0.037 0.000 1.440 182 Q HN 0.447 nan 8.270 nan 0.000 0.475 183 V N 1.158 121.107 119.914 0.057 0.000 2.439 183 V HA 0.469 4.589 4.120 0.000 0.000 0.282 183 V C -0.405 175.739 176.094 0.085 0.000 1.039 183 V CA -0.657 61.693 62.300 0.084 0.000 0.913 183 V CB 1.423 33.249 31.823 0.006 0.000 0.983 183 V HN 0.509 nan 8.190 nan 0.000 0.460 184 V N 3.680 123.663 119.914 0.115 0.000 2.328 184 V HA 0.293 4.413 4.120 0.000 0.000 0.278 184 V C -0.240 175.907 176.094 0.089 0.000 1.021 184 V CA -0.448 61.907 62.300 0.092 0.000 0.838 184 V CB 1.520 33.397 31.823 0.090 0.000 0.999 184 V HN 0.967 nan 8.190 nan 0.000 0.447 185 D N 4.996 125.434 120.400 0.062 0.000 2.456 185 D HA 0.472 5.112 4.640 0.000 0.000 0.219 185 D C 0.097 176.415 176.300 0.029 0.000 1.126 185 D CA -0.173 53.853 54.000 0.045 0.000 0.890 185 D CB 1.270 42.087 40.800 0.029 0.000 1.025 185 D HN 0.646 nan 8.370 nan 0.000 0.511 186 A N 3.343 126.178 122.820 0.025 0.000 2.322 186 A HA 0.681 5.001 4.320 0.000 0.000 0.327 186 A C -0.057 177.496 177.584 -0.052 0.000 1.394 186 A CA -0.631 51.414 52.037 0.012 0.000 0.921 186 A CB 0.527 19.563 19.000 0.061 0.000 1.153 186 A HN 0.636 nan 8.150 nan 0.000 0.523 187 A N 3.185 125.951 122.820 -0.089 0.000 2.276 187 A HA 0.566 4.886 4.320 0.000 0.000 0.316 187 A C 1.041 178.495 177.584 -0.218 0.000 1.229 187 A CA -0.607 51.336 52.037 -0.158 0.000 0.851 187 A CB 0.167 19.108 19.000 -0.099 0.000 1.165 187 A HN 0.878 nan 8.150 nan 0.000 0.513 188 M N 2.474 121.880 119.600 -0.324 0.000 2.144 188 M HA -0.159 4.321 4.480 0.000 0.000 0.260 188 M C 1.935 178.105 176.300 -0.217 0.000 1.067 188 M CA 1.670 56.791 55.300 -0.298 0.000 1.095 188 M CB -0.427 31.930 32.600 -0.405 0.000 1.365 188 M HN 0.630 nan 8.290 nan 0.000 0.406 189 V N 0.682 120.475 119.914 -0.202 0.000 2.490 189 V HA -0.269 3.851 4.120 0.000 0.000 0.250 189 V C 1.594 177.651 176.094 -0.062 0.000 1.061 189 V CA 2.150 64.433 62.300 -0.028 0.000 1.064 189 V CB -0.397 31.530 31.823 0.174 0.000 0.670 189 V HN 0.414 nan 8.190 nan 0.000 0.461 190 D N 0.107 120.427 120.400 -0.133 0.000 2.110 190 D HA -0.015 4.625 4.640 0.000 0.000 0.202 190 D C 2.109 178.181 176.300 -0.379 0.000 0.975 190 D CA 1.512 55.394 54.000 -0.197 0.000 0.839 190 D CB -0.920 39.771 40.800 -0.182 0.000 0.996 190 D HN 0.488 nan 8.370 nan 0.000 0.464 191 G N 0.932 109.404 108.800 -0.548 0.000 2.491 191 G HA2 -0.304 3.656 3.960 0.000 0.000 0.218 191 G HA3 -0.304 3.656 3.960 0.000 0.000 0.218 191 G C 1.748 176.205 174.900 -0.739 0.000 1.180 191 G CA 2.154 46.526 45.100 -1.214 0.000 0.774 191 G HN 0.415 nan 8.290 nan 0.000 0.562 192 S N 0.584 116.115 115.700 -0.281 0.000 2.383 192 S HA -0.130 4.340 4.470 0.000 0.000 0.229 192 S C 2.432 177.023 174.600 -0.016 0.000 1.030 192 S CA 1.953 60.111 58.200 -0.072 0.000 1.002 192 S CB -0.547 62.650 63.200 -0.005 0.000 0.829 192 S HN 0.263 nan 8.310 nan 0.000 0.467 193 S N 1.422 117.098 115.700 -0.039 0.000 2.368 193 S HA -0.019 4.451 4.470 0.000 0.000 0.225 193 S C 1.940 176.562 174.600 0.037 0.000 1.030 193 S CA 1.281 59.514 58.200 0.054 0.000 0.999 193 S CB -0.613 62.566 63.200 -0.036 0.000 0.844 193 S HN 0.450 nan 8.310 nan 0.000 0.459 194 V N 1.648 121.506 119.914 -0.094 0.000 2.515 194 V HA -0.077 4.043 4.120 0.000 0.000 0.250 194 V C 2.185 178.374 176.094 0.158 0.000 1.058 194 V CA 1.081 63.392 62.300 0.017 0.000 1.064 194 V CB -0.636 31.185 31.823 -0.002 0.000 0.675 194 V HN 0.316 nan 8.190 nan 0.000 0.461 195 L N -0.281 121.037 121.223 0.157 0.000 2.043 195 L HA -0.118 4.222 4.340 0.000 0.000 0.212 195 L C 1.883 178.829 176.870 0.128 0.000 1.075 195 L CA 1.976 56.952 54.840 0.227 0.000 0.752 195 L CB -0.278 41.920 42.059 0.231 0.000 0.891 195 L HN 0.291 nan 8.230 nan 0.000 0.432 196 I N -0.860 119.776 120.570 0.111 0.000 3.858 196 I HA -0.038 4.133 4.170 0.000 0.000 0.325 196 I C 1.795 177.977 176.117 0.109 0.000 1.403 196 I CA 0.023 61.351 61.300 0.047 0.000 1.169 196 I CB -0.219 37.779 38.000 -0.002 0.000 1.077 196 I HN 0.404 nan 8.210 nan 0.000 0.403 197 Q N 0.963 120.864 119.800 0.168 0.000 2.197 197 Q HA -0.273 4.067 4.340 0.000 0.000 0.207 197 Q C 2.007 178.071 176.000 0.107 0.000 0.984 197 Q CA 1.924 57.851 55.803 0.205 0.000 0.869 197 Q CB -0.129 28.688 28.738 0.132 0.000 0.906 197 Q HN 0.648 nan 8.270 nan 0.000 0.426 198 M N -0.644 118.959 119.600 0.006 0.000 2.108 198 M HA -0.237 4.243 4.480 0.000 0.000 0.261 198 M C 1.792 177.992 176.300 -0.168 0.000 1.066 198 M CA 1.533 56.795 55.300 -0.063 0.000 1.107 198 M CB 0.054 32.596 32.600 -0.097 0.000 1.356 198 M HN 0.193 nan 8.290 nan 0.000 0.406 199 M N -1.158 118.235 119.600 -0.344 0.000 2.200 199 M HA -0.105 4.375 4.480 0.000 0.000 0.265 199 M C 1.417 177.463 176.300 -0.424 0.000 1.066 199 M CA 1.874 56.786 55.300 -0.646 0.000 1.127 199 M CB -0.648 31.320 32.600 -1.054 0.000 1.379 199 M HN 0.372 nan 8.290 nan 0.000 0.420 200 W N -0.312 120.903 121.300 -0.142 0.000 2.363 200 W HA -0.099 4.561 4.660 -0.000 0.000 0.296 200 W C 2.519 179.021 176.519 -0.028 0.000 1.212 200 W CA 1.233 58.543 57.345 -0.058 0.000 1.260 200 W CB -0.542 28.892 29.460 -0.043 0.000 1.131 200 W HN 0.212 nan 8.180 nan 0.000 0.530 201 A N -0.187 122.729 122.820 0.161 0.000 1.872 201 A HA -0.178 4.142 4.320 0.000 0.000 0.214 201 A C 1.913 179.543 177.584 0.077 0.000 1.187 201 A CA 1.651 53.751 52.037 0.106 0.000 0.614 201 A CB -0.834 18.209 19.000 0.072 0.000 0.826 201 A HN 0.223 nan 8.150 nan 0.000 0.442 202 M N -1.316 118.307 119.600 0.039 0.000 2.149 202 M HA -0.157 4.323 4.480 0.000 0.000 0.261 202 M C 2.389 178.763 176.300 0.124 0.000 1.064 202 M CA 1.746 57.095 55.300 0.081 0.000 1.102 202 M CB -0.331 32.331 32.600 0.103 0.000 1.369 202 M HN 0.420 nan 8.290 nan 0.000 0.408 203 R N 0.384 120.946 120.500 0.103 0.000 2.096 203 R HA -0.109 4.231 4.340 0.000 0.000 0.235 203 R C 2.102 178.468 176.300 0.111 0.000 1.127 203 R CA 1.514 57.687 56.100 0.121 0.000 0.968 203 R CB -0.198 30.134 30.300 0.052 0.000 0.861 203 R HN 0.380 nan 8.270 nan 0.000 0.440 204 A N -0.351 122.538 122.820 0.116 0.000 2.119 204 A HA -0.083 4.237 4.320 0.000 0.000 0.217 204 A C 1.659 179.288 177.584 0.075 0.000 1.153 204 A CA 1.601 53.699 52.037 0.102 0.000 0.692 204 A CB -0.180 18.884 19.000 0.106 0.000 0.799 204 A HN 0.520 nan 8.150 nan 0.000 0.458 205 T N -5.554 109.044 114.554 0.075 0.000 3.132 205 T HA 0.449 4.799 4.350 0.000 0.000 0.274 205 T C 1.095 175.828 174.700 0.054 0.000 1.011 205 T CA 0.901 63.036 62.100 0.059 0.000 0.899 205 T CB 0.123 69.024 68.868 0.055 0.000 1.089 205 T HN 1.601 nan 8.240 nan 0.000 0.543 206 G N 1.799 110.635 108.800 0.060 0.000 2.143 206 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 206 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 206 G C 0.507 175.436 174.900 0.050 0.000 0.991 206 G CA 0.463 45.589 45.100 0.043 0.000 0.689 206 G HN 0.553 nan 8.290 nan 0.000 0.522 207 M N -1.085 118.572 119.600 0.094 0.000 2.371 207 M HA 0.352 4.832 4.480 0.000 0.000 0.246 207 M C 0.388 176.828 176.300 0.233 0.000 1.103 207 M CA 0.088 55.464 55.300 0.126 0.000 1.010 207 M CB 0.544 33.221 32.600 0.129 0.000 1.457 207 M HN 0.361 nan 8.290 nan 0.000 0.486 208 W N 0.797 122.078 121.300 -0.030 0.000 3.425 208 W HA 0.325 4.986 4.660 0.000 0.000 0.318 208 W C -1.234 175.253 176.519 -0.053 0.000 1.201 208 W CA -0.583 56.733 57.345 -0.049 0.000 1.212 208 W CB 1.602 31.014 29.460 -0.080 0.000 1.355 208 W HN -0.064 nan 8.180 nan 0.000 0.515 209 T N 0.147 114.490 114.554 -0.352 0.000 2.950 209 T HA 0.272 4.622 4.350 0.000 0.000 0.288 209 T C 0.149 174.776 174.700 -0.122 0.000 1.035 209 T CA -0.419 61.577 62.100 -0.173 0.000 1.028 209 T CB 1.978 70.736 68.868 -0.184 0.000 1.109 209 T HN 0.248 nan 8.240 nan 0.000 0.514 210 D N 0.973 121.365 120.400 -0.013 0.000 2.352 210 D HA 0.125 4.765 4.640 0.000 0.000 0.232 210 D C 0.185 176.531 176.300 0.077 0.000 1.055 210 D CA 0.441 54.469 54.000 0.046 0.000 0.891 210 D CB -0.235 40.565 40.800 -0.000 0.000 0.897 210 D HN 0.579 nan 8.370 nan 0.000 0.529 211 T N 1.163 115.704 114.554 -0.021 0.000 2.723 211 T HA 0.125 4.475 4.350 0.000 0.000 0.297 211 T C 0.545 175.216 174.700 -0.047 0.000 0.925 211 T CA -0.588 61.503 62.100 -0.015 0.000 1.030 211 T CB 1.168 70.000 68.868 -0.060 0.000 0.905 211 T HN 0.031 nan 8.240 nan 0.000 0.502 212 R N 2.425 122.917 120.500 -0.013 0.000 2.570 212 R HA 0.304 4.644 4.340 0.000 0.000 0.277 212 R C 1.291 177.547 176.300 -0.074 0.000 1.039 212 R CA 1.250 57.320 56.100 -0.051 0.000 1.065 212 R CB -0.195 30.028 30.300 -0.128 0.000 0.964 212 R HN 0.949 nan 8.270 nan 0.000 0.428 213 G N 2.105 110.859 108.800 -0.077 0.000 2.160 213 G HA2 -0.295 3.665 3.960 0.000 0.000 0.251 213 G HA3 -0.295 3.665 3.960 0.000 0.000 0.251 213 G C 0.170 175.009 174.900 -0.101 0.000 1.008 213 G CA 0.290 45.339 45.100 -0.084 0.000 0.724 213 G HN 0.864 nan 8.290 nan 0.000 0.514 214 A N -0.454 122.275 122.820 -0.153 0.000 2.674 214 A HA 0.623 4.943 4.320 0.000 0.000 0.286 214 A C 0.503 177.960 177.584 -0.212 0.000 0.980 214 A CA 0.026 51.990 52.037 -0.121 0.000 1.028 214 A CB 0.352 19.288 19.000 -0.107 0.000 1.199 214 A HN 0.319 nan 8.150 nan 0.000 0.499 215 N N -1.268 117.233 118.700 -0.333 0.000 3.038 215 N HA 0.330 5.070 4.740 0.000 0.000 0.307 215 N C 0.655 175.995 175.510 -0.283 0.000 1.441 215 N CA -0.686 52.032 53.050 -0.553 0.000 0.772 215 N CB 0.969 38.488 38.487 -1.614 0.000 1.651 215 N HN 0.202 nan 8.380 nan 0.000 0.593 216 M N 0.303 119.783 119.600 -0.200 0.000 2.319 216 M HA 0.112 4.592 4.480 0.000 0.000 0.265 216 M C 0.429 176.613 176.300 -0.193 0.000 1.068 216 M CA 1.623 56.881 55.300 -0.070 0.000 1.118 216 M CB 0.142 32.788 32.600 0.078 0.000 1.395 216 M HN 0.369 nan 8.290 nan 0.000 0.435 217 L N -0.285 120.925 121.223 -0.023 0.000 3.122 217 L HA 0.174 4.514 4.340 0.000 0.000 0.274 217 L C 0.238 177.202 176.870 0.156 0.000 1.222 217 L CA -0.336 54.403 54.840 -0.168 0.000 1.028 217 L CB 0.164 42.152 42.059 -0.118 0.000 1.386 217 L HN 0.212 nan 8.230 nan 0.000 0.578 218 D N -1.101 119.383 120.400 0.140 0.000 2.503 218 D HA 0.188 4.828 4.640 0.000 0.000 0.218 218 D C 1.235 177.553 176.300 0.030 0.000 1.183 218 D CA 0.544 54.626 54.000 0.136 0.000 0.827 218 D CB 0.976 41.873 40.800 0.161 0.000 1.034 218 D HN 0.135 nan 8.370 nan 0.000 0.510 219 G N -0.296 108.505 108.800 0.001 0.000 2.231 219 G HA2 -0.207 3.753 3.960 0.000 0.000 0.206 219 G HA3 -0.207 3.753 3.960 0.000 0.000 0.206 219 G C 1.268 176.061 174.900 -0.179 0.000 0.996 219 G CA 0.161 45.207 45.100 -0.090 0.000 0.645 219 G HN 0.603 nan 8.290 nan 0.000 0.498 220 G N 0.561 109.252 108.800 -0.180 0.000 2.448 220 G HA2 0.430 4.390 3.960 0.000 0.000 0.218 220 G HA3 0.430 4.390 3.960 0.000 0.000 0.218 220 G C 0.901 175.532 174.900 -0.450 0.000 1.135 220 G CA 1.522 46.515 45.100 -0.178 0.000 0.784 220 G HN 1.712 nan 8.290 nan 0.000 0.543 221 A N 0.513 122.894 122.820 -0.731 0.000 2.274 221 A HA 0.648 4.968 4.320 0.000 0.000 0.309 221 A C -1.238 175.702 177.584 -1.073 0.000 1.226 221 A CA -1.349 49.747 52.037 -1.569 0.000 0.853 221 A CB 1.423 19.521 19.000 -1.503 0.000 1.146 221 A HN 0.022 nan 8.150 nan 0.000 0.518 222 P HA -0.149 nan 4.420 nan 0.000 0.223 222 P C 0.451 177.735 177.300 -0.028 0.000 1.144 222 P CA 1.370 64.276 63.100 -0.324 0.000 0.783 222 P CB -0.127 31.475 31.700 -0.164 0.000 0.771 223 Y N -4.577 115.681 120.300 -0.070 0.000 2.468 223 Y HA 0.356 4.906 4.550 0.000 0.000 0.268 223 Y C 0.192 176.170 175.900 0.129 0.000 1.177 223 Y CA -0.964 57.206 58.100 0.116 0.000 1.265 223 Y CB -0.785 37.783 38.460 0.181 0.000 1.103 223 Y HN -0.135 nan 8.280 nan 0.000 0.522 224 Y N 1.747 121.878 120.300 -0.281 0.000 2.544 224 Y HA 0.506 5.056 4.550 -0.000 0.000 0.347 224 Y C -1.386 174.390 175.900 -0.207 0.000 1.089 224 Y CA -1.126 56.872 58.100 -0.169 0.000 1.230 224 Y CB 0.230 38.583 38.460 -0.179 0.000 1.101 224 Y HN 0.234 nan 8.280 nan 0.000 0.641 225 D N 0.512 120.763 120.400 -0.248 0.000 2.725 225 D HA 0.242 4.882 4.640 0.000 0.000 0.292 225 D C -0.888 175.213 176.300 -0.332 0.000 1.288 225 D CA -0.127 53.693 54.000 -0.301 0.000 0.784 225 D CB 1.721 42.291 40.800 -0.383 0.000 1.308 225 D HN 0.258 nan 8.370 nan 0.000 0.429 226 T N -1.282 113.052 114.554 -0.368 0.000 2.918 226 T HA 0.706 5.056 4.350 0.000 0.000 0.283 226 T C -0.555 173.874 174.700 -0.451 0.000 1.001 226 T CA -0.202 61.708 62.100 -0.317 0.000 1.041 226 T CB 0.832 69.530 68.868 -0.283 0.000 1.028 226 T HN 0.283 nan 8.240 nan 0.000 0.511 227 Y N -0.514 119.649 120.300 -0.229 0.000 2.477 227 Y HA 0.461 5.011 4.550 0.000 0.000 0.347 227 Y C 0.217 176.133 175.900 0.028 0.000 0.981 227 Y CA -1.085 56.912 58.100 -0.172 0.000 1.033 227 Y CB 2.161 40.331 38.460 -0.484 0.000 1.245 227 Y HN 0.832 nan 8.280 nan 0.000 0.455 228 E N 2.206 122.565 120.200 0.264 0.000 2.259 228 E HA 0.444 4.794 4.350 0.000 0.000 0.281 228 E C -0.930 175.761 176.600 0.153 0.000 1.027 228 E CA -0.351 56.157 56.400 0.181 0.000 0.838 228 E CB 0.626 30.429 29.700 0.172 0.000 1.066 228 E HN 0.692 nan 8.360 nan 0.000 0.401 229 C N 2.579 121.927 119.300 0.081 0.000 2.464 229 C HA 0.483 4.943 4.460 0.000 0.000 0.398 229 C C 1.886 176.952 174.990 0.127 0.000 1.451 229 C CA -0.059 59.093 59.018 0.223 0.000 1.986 229 C CB 0.752 28.677 27.740 0.307 0.000 2.004 229 C HN 1.002 nan 8.230 nan 0.000 0.530 230 A N 1.107 124.023 122.820 0.161 0.000 1.933 230 A HA -0.165 4.155 4.320 0.000 0.000 0.218 230 A C 1.590 179.184 177.584 0.016 0.000 1.175 230 A CA 2.296 54.376 52.037 0.071 0.000 0.628 230 A CB -0.618 18.405 19.000 0.038 0.000 0.814 230 A HN 0.958 nan 8.150 nan 0.000 0.444 231 D N -1.812 118.591 120.400 0.004 0.000 2.336 231 D HA 0.240 4.880 4.640 0.000 0.000 0.229 231 D C 1.173 177.426 176.300 -0.077 0.000 1.061 231 D CA 0.854 54.835 54.000 -0.031 0.000 0.875 231 D CB -0.781 40.004 40.800 -0.025 0.000 0.904 231 D HN 0.784 nan 8.370 nan 0.000 0.525 232 G N 0.335 109.067 108.800 -0.113 0.000 2.162 232 G HA2 -0.345 3.615 3.960 0.000 0.000 0.260 232 G HA3 -0.345 3.615 3.960 0.000 0.000 0.260 232 G C 0.405 175.013 174.900 -0.487 0.000 0.976 232 G CA 0.240 45.213 45.100 -0.213 0.000 0.655 232 G HN 0.483 nan 8.290 nan 0.000 0.533 233 R N -1.301 118.937 120.500 -0.436 0.000 2.606 233 R HA 0.715 5.055 4.340 0.000 0.000 0.249 233 R C -0.506 175.370 176.300 -0.707 0.000 1.127 233 R CA -0.602 55.170 56.100 -0.547 0.000 1.133 233 R CB 0.602 30.795 30.300 -0.179 0.000 1.243 233 R HN 0.237 nan 8.270 nan 0.000 0.558 234 Y N -0.710 119.595 120.300 0.009 0.000 2.536 234 Y HA 0.432 4.982 4.550 -0.000 0.000 0.347 234 Y C -0.094 175.782 175.900 -0.040 0.000 1.000 234 Y CA -1.197 56.889 58.100 -0.023 0.000 1.051 234 Y CB 1.666 40.082 38.460 -0.073 0.000 1.259 234 Y HN 0.231 nan 8.280 nan 0.000 0.468 235 V N -0.625 119.316 119.914 0.045 0.000 2.881 235 V HA 0.990 5.110 4.120 0.000 0.000 0.316 235 V C -0.208 175.789 176.094 -0.163 0.000 1.070 235 V CA -1.278 60.971 62.300 -0.084 0.000 0.976 235 V CB 1.369 33.045 31.823 -0.245 0.000 1.038 235 V HN 0.937 nan 8.190 nan 0.000 0.446 236 A N 2.657 125.370 122.820 -0.178 0.000 2.292 236 A HA 0.807 5.127 4.320 0.000 0.000 0.319 236 A C -0.497 176.931 177.584 -0.260 0.000 1.206 236 A CA -0.587 51.316 52.037 -0.223 0.000 0.835 236 A CB 1.100 19.976 19.000 -0.207 0.000 1.164 236 A HN 1.157 nan 8.150 nan 0.000 0.505 237 V N 1.942 121.707 119.914 -0.250 0.000 2.448 237 V HA 0.673 4.793 4.120 0.000 0.000 0.295 237 V C 0.814 176.790 176.094 -0.197 0.000 1.025 237 V CA 0.279 62.466 62.300 -0.188 0.000 0.859 237 V CB 1.821 33.603 31.823 -0.069 0.000 0.988 237 V HN 1.181 nan 8.190 nan 0.000 0.431 238 G N 2.926 111.655 108.800 -0.119 0.000 4.683 238 G HA2 0.458 4.418 3.960 0.000 0.000 0.273 238 G HA3 0.458 4.418 3.960 0.000 0.000 0.273 238 G C 0.315 175.364 174.900 0.249 0.000 1.065 238 G CA 0.434 45.519 45.100 -0.026 0.000 0.837 238 G HN 0.923 nan 8.290 nan 0.000 0.526 239 A N 0.843 123.836 122.820 0.289 0.000 3.056 239 A HA 0.582 4.902 4.320 0.000 0.000 0.274 239 A C 1.243 179.024 177.584 0.328 0.000 1.661 239 A CA -0.356 51.877 52.037 0.327 0.000 1.363 239 A CB -0.404 18.764 19.000 0.280 0.000 1.139 239 A HN 0.386 nan 8.150 nan 0.000 0.598 240 I N -0.009 120.770 120.570 0.349 0.000 2.188 240 I HA -0.093 4.077 4.170 0.000 0.000 0.237 240 I C 0.749 176.841 176.117 -0.042 0.000 1.073 240 I CA 0.554 61.967 61.300 0.189 0.000 1.359 240 I CB -0.187 37.992 38.000 0.297 0.000 1.083 240 I HN 0.459 nan 8.210 nan 0.000 0.412 241 E N 2.273 122.506 120.200 0.055 0.000 2.442 241 E HA -0.058 4.292 4.350 0.000 0.000 0.262 241 E C -1.608 174.876 176.600 -0.193 0.000 1.004 241 E CA -0.808 55.485 56.400 -0.179 0.000 0.928 241 E CB -0.035 29.370 29.700 -0.490 0.000 0.937 241 E HN 0.150 nan 8.360 nan 0.000 0.446 242 P HA -0.232 nan 4.420 nan 0.000 0.218 242 P C 0.985 178.267 177.300 -0.031 0.000 1.149 242 P CA 1.257 64.304 63.100 -0.089 0.000 0.817 242 P CB 0.282 31.925 31.700 -0.094 0.000 0.785 243 Q N -0.839 118.855 119.800 -0.177 0.000 2.172 243 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 243 Q C 1.868 177.905 176.000 0.061 0.000 0.964 243 Q CA 1.320 57.057 55.803 -0.110 0.000 0.855 243 Q CB -1.171 27.454 28.738 -0.188 0.000 0.918 243 Q HN 0.170 nan 8.270 nan 0.000 0.444 244 F N 0.499 120.483 119.950 0.057 0.000 2.149 244 F HA -0.021 4.506 4.527 0.000 0.000 0.294 244 F C 2.425 178.259 175.800 0.056 0.000 1.095 244 F CA -0.015 58.015 58.000 0.051 0.000 1.276 244 F CB -1.550 37.480 39.000 0.051 0.000 1.023 244 F HN 0.041 nan 8.300 nan 0.000 0.480 245 Y N 1.133 121.511 120.300 0.130 0.000 2.139 245 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 245 Y C 2.442 178.367 175.900 0.042 0.000 1.179 245 Y CA 1.711 59.834 58.100 0.039 0.000 1.161 245 Y CB -0.649 37.770 38.460 -0.068 0.000 0.970 245 Y HN 0.000 nan 8.280 nan 0.000 0.511 246 A N 0.171 123.026 122.820 0.058 0.000 1.902 246 A HA -0.115 4.205 4.320 0.000 0.000 0.217 246 A C 2.443 180.014 177.584 -0.021 0.000 1.181 246 A CA 1.919 53.950 52.037 -0.010 0.000 0.623 246 A CB -1.516 17.514 19.000 0.050 0.000 0.818 246 A HN 0.607 nan 8.150 nan 0.000 0.443 247 A N -0.821 122.033 122.820 0.057 0.000 1.902 247 A HA -0.160 4.160 4.320 0.000 0.000 0.217 247 A C 2.219 179.881 177.584 0.130 0.000 1.181 247 A CA 1.975 54.074 52.037 0.104 0.000 0.623 247 A CB -0.534 18.562 19.000 0.160 0.000 0.818 247 A HN 0.527 nan 8.150 nan 0.000 0.443 248 M N -0.200 119.412 119.600 0.020 0.000 2.080 248 M HA -0.107 4.373 4.480 0.000 0.000 0.260 248 M C 1.982 178.242 176.300 -0.067 0.000 1.068 248 M CA 1.716 56.985 55.300 -0.053 0.000 1.109 248 M CB -0.720 31.748 32.600 -0.220 0.000 1.342 248 M HN 0.454 nan 8.290 nan 0.000 0.405 249 L N -0.069 121.016 121.223 -0.230 0.000 2.083 249 L HA -0.172 4.168 4.340 0.000 0.000 0.209 249 L C 2.700 179.514 176.870 -0.093 0.000 1.083 249 L CA 1.087 55.789 54.840 -0.229 0.000 0.752 249 L CB -1.014 40.880 42.059 -0.274 0.000 0.899 249 L HN 0.355 nan 8.230 nan 0.000 0.433 250 A N 0.556 123.355 122.820 -0.034 0.000 1.851 250 A HA -0.164 4.156 4.320 0.000 0.000 0.216 250 A C 2.412 179.988 177.584 -0.014 0.000 1.195 250 A CA 1.858 53.888 52.037 -0.011 0.000 0.622 250 A CB -1.412 17.594 19.000 0.010 0.000 0.831 250 A HN 0.423 nan 8.150 nan 0.000 0.444 251 G N -0.267 108.548 108.800 0.026 0.000 2.469 251 G HA2 -0.195 3.765 3.960 0.000 0.000 0.220 251 G HA3 -0.195 3.765 3.960 0.000 0.000 0.220 251 G C 1.423 176.301 174.900 -0.036 0.000 1.136 251 G CA 1.153 46.145 45.100 -0.180 0.000 0.759 251 G HN 0.461 nan 8.290 nan 0.000 0.562 252 L N 0.403 121.623 121.223 -0.005 0.000 2.552 252 L HA 0.225 4.565 4.340 0.000 0.000 0.227 252 L C 2.022 178.879 176.870 -0.020 0.000 1.146 252 L CA 0.383 55.148 54.840 -0.124 0.000 0.858 252 L CB -0.246 41.550 42.059 -0.438 0.000 0.969 252 L HN 0.367 nan 8.230 nan 0.000 0.451 253 G N 0.919 109.710 108.800 -0.014 0.000 2.198 253 G HA2 -0.274 3.686 3.960 0.000 0.000 0.257 253 G HA3 -0.274 3.686 3.960 0.000 0.000 0.257 253 G C -0.015 174.873 174.900 -0.020 0.000 1.042 253 G CA -0.108 44.991 45.100 -0.002 0.000 0.791 253 G HN 0.241 nan 8.290 nan 0.000 0.502 254 L N 0.237 121.430 121.223 -0.051 0.000 2.309 254 L HA 0.476 4.816 4.340 0.000 0.000 0.282 254 L C 0.016 176.865 176.870 -0.035 0.000 1.036 254 L CA -1.050 53.759 54.840 -0.051 0.000 0.806 254 L CB 1.483 43.489 42.059 -0.087 0.000 1.220 254 L HN 0.117 nan 8.230 nan 0.000 0.429 255 D N 1.877 122.268 120.400 -0.015 0.000 2.316 255 D HA 0.251 4.891 4.640 0.000 0.000 0.245 255 D C 0.766 177.071 176.300 0.008 0.000 1.171 255 D CA -0.085 53.914 54.000 -0.003 0.000 0.856 255 D CB 1.998 42.800 40.800 0.004 0.000 1.090 255 D HN 0.595 nan 8.370 nan 0.000 0.476 256 A N 4.197 127.025 122.820 0.013 0.000 1.940 256 A HA -0.106 4.214 4.320 0.000 0.000 0.219 256 A C 2.080 179.695 177.584 0.051 0.000 1.176 256 A CA 1.852 53.914 52.037 0.042 0.000 0.631 256 A CB -0.639 18.392 19.000 0.052 0.000 0.814 256 A HN 0.668 nan 8.150 nan 0.000 0.446 257 A N -0.587 122.254 122.820 0.035 0.000 2.070 257 A HA -0.114 4.206 4.320 0.000 0.000 0.220 257 A C 1.738 179.342 177.584 0.034 0.000 1.159 257 A CA 1.450 53.507 52.037 0.033 0.000 0.656 257 A CB -0.279 18.735 19.000 0.023 0.000 0.800 257 A HN 0.551 nan 8.150 nan 0.000 0.453 258 E N -0.724 119.495 120.200 0.032 0.000 2.479 258 E HA 0.206 4.556 4.350 0.000 0.000 0.193 258 E C -0.115 176.512 176.600 0.044 0.000 1.049 258 E CA 0.013 56.432 56.400 0.032 0.000 0.870 258 E CB 0.151 29.864 29.700 0.023 0.000 0.944 258 E HN 0.528 nan 8.360 nan 0.000 0.492 259 L N 1.710 122.968 121.223 0.059 0.000 2.322 259 L HA 0.410 4.750 4.340 0.000 0.000 0.269 259 L C -2.236 174.693 176.870 0.099 0.000 1.012 259 L CA -2.196 52.695 54.840 0.085 0.000 0.815 259 L CB 0.962 43.087 42.059 0.110 0.000 1.295 259 L HN -0.231 nan 8.230 nan 0.000 0.438 260 P HA 0.195 nan 4.420 nan 0.000 0.270 260 P C -2.520 174.860 177.300 0.133 0.000 1.223 260 P CA -1.037 62.132 63.100 0.114 0.000 0.785 260 P CB -0.422 31.361 31.700 0.139 0.000 0.923 261 P HA 0.012 nan 4.420 nan 0.000 0.268 261 P C 1.012 178.371 177.300 0.099 0.000 1.208 261 P CA -0.063 63.085 63.100 0.080 0.000 0.777 261 P CB 0.367 32.088 31.700 0.036 0.000 0.875 262 Q N 1.676 121.465 119.800 -0.017 0.000 2.096 262 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 262 Q C 0.495 176.614 176.000 0.198 0.000 0.982 262 Q CA 1.525 57.203 55.803 -0.209 0.000 0.850 262 Q CB -0.089 28.189 28.738 -0.767 0.000 0.901 262 Q HN 0.393 nan 8.270 nan 0.000 0.422 263 N N 1.224 119.992 118.700 0.114 0.000 2.273 263 N HA 0.011 4.751 4.740 0.000 0.000 0.231 263 N C -1.072 174.397 175.510 -0.068 0.000 1.134 263 N CA 0.071 53.222 53.050 0.168 0.000 0.856 263 N CB 0.473 39.011 38.487 0.085 0.000 1.068 263 N HN 0.169 nan 8.380 nan 0.000 0.510 264 D N 0.999 121.363 120.400 -0.061 0.000 2.483 264 D HA 0.128 4.768 4.640 0.000 0.000 0.220 264 D C 1.154 177.193 176.300 -0.435 0.000 1.173 264 D CA -0.213 53.680 54.000 -0.178 0.000 0.964 264 D CB 0.364 41.130 40.800 -0.056 0.000 1.046 264 D HN 0.048 nan 8.370 nan 0.000 0.517 265 R N 2.281 122.318 120.500 -0.771 0.000 2.152 265 R HA -0.112 4.228 4.340 0.000 0.000 0.232 265 R C 1.954 177.964 176.300 -0.482 0.000 1.117 265 R CA 1.177 56.566 56.100 -1.185 0.000 0.981 265 R CB -0.053 29.551 30.300 -1.160 0.000 0.870 265 R HN 0.409 nan 8.270 nan 0.000 0.451 266 A N 1.096 123.747 122.820 -0.282 0.000 2.024 266 A HA -0.153 4.167 4.320 0.000 0.000 0.220 266 A C 1.789 179.349 177.584 -0.040 0.000 1.164 266 A CA 1.245 53.206 52.037 -0.126 0.000 0.643 266 A CB -0.151 18.793 19.000 -0.093 0.000 0.806 266 A HN 0.229 nan 8.150 nan 0.000 0.451 267 R N -2.578 117.914 120.500 -0.013 0.000 2.472 267 R HA 0.053 4.393 4.340 0.000 0.000 0.279 267 R C 0.956 177.392 176.300 0.226 0.000 0.953 267 R CA -0.377 55.776 56.100 0.088 0.000 1.088 267 R CB 0.035 30.382 30.300 0.079 0.000 1.197 267 R HN 0.606 nan 8.270 nan 0.000 0.536 268 W N 1.833 123.150 121.300 0.027 0.000 2.321 268 W HA -0.073 4.587 4.660 0.000 0.000 0.306 268 W C -0.971 175.574 176.519 0.044 0.000 1.217 268 W CA 0.984 58.351 57.345 0.037 0.000 1.257 268 W CB -1.639 27.826 29.460 0.008 0.000 1.145 268 W HN 0.073 nan 8.180 nan 0.000 0.509 269 P HA -0.188 nan 4.420 nan 0.000 0.217 269 P C 1.513 178.890 177.300 0.129 0.000 1.150 269 P CA 2.200 65.388 63.100 0.146 0.000 0.832 269 P CB -0.136 31.627 31.700 0.105 0.000 0.787 270 E N -0.506 119.773 120.200 0.132 0.000 2.047 270 E HA -0.185 4.165 4.350 0.000 0.000 0.191 270 E C 1.856 178.536 176.600 0.132 0.000 0.987 270 E CA 0.809 57.277 56.400 0.114 0.000 0.799 270 E CB -0.515 29.245 29.700 0.099 0.000 0.752 270 E HN -0.017 nan 8.360 nan 0.000 0.449 271 L N 1.766 123.095 121.223 0.177 0.000 2.012 271 L HA -0.185 4.155 4.340 0.000 0.000 0.210 271 L C 2.532 179.502 176.870 0.167 0.000 1.073 271 L CA 1.937 56.890 54.840 0.189 0.000 0.748 271 L CB -0.651 41.565 42.059 0.263 0.000 0.891 271 L HN 0.044 nan 8.230 nan 0.000 0.431 272 R N -0.807 119.791 120.500 0.163 0.000 2.105 272 R HA -0.168 4.172 4.340 0.000 0.000 0.239 272 R C 2.114 178.536 176.300 0.202 0.000 1.135 272 R CA 1.357 57.574 56.100 0.195 0.000 0.967 272 R CB -0.329 30.039 30.300 0.113 0.000 0.861 272 R HN 0.539 nan 8.270 nan 0.000 0.442 273 A N 0.767 123.671 122.820 0.140 0.000 1.930 273 A HA -0.114 4.206 4.320 0.000 0.000 0.217 273 A C 2.137 179.783 177.584 0.103 0.000 1.175 273 A CA 1.043 53.150 52.037 0.117 0.000 0.627 273 A CB -0.403 18.649 19.000 0.086 0.000 0.815 273 A HN 0.320 nan 8.150 nan 0.000 0.443 274 L N -0.576 120.699 121.223 0.087 0.000 2.056 274 L HA -0.144 4.196 4.340 0.000 0.000 0.207 274 L C 2.522 179.394 176.870 0.003 0.000 1.078 274 L CA 0.956 55.823 54.840 0.045 0.000 0.749 274 L CB -0.463 41.621 42.059 0.042 0.000 0.901 274 L HN 0.367 nan 8.230 nan 0.000 0.433 275 L N -0.993 120.237 121.223 0.011 0.000 2.083 275 L HA -0.195 4.145 4.340 0.000 0.000 0.209 275 L C 2.600 179.436 176.870 -0.057 0.000 1.083 275 L CA 1.387 56.149 54.840 -0.130 0.000 0.752 275 L CB -0.992 40.954 42.059 -0.189 0.000 0.899 275 L HN 0.293 nan 8.230 nan 0.000 0.433 276 T N -0.827 113.847 114.554 0.198 0.000 2.674 276 T HA -0.258 4.092 4.350 0.000 0.000 0.265 276 T C 1.777 176.586 174.700 0.182 0.000 1.039 276 T CA 1.671 63.960 62.100 0.315 0.000 1.150 276 T CB -0.168 68.866 68.868 0.277 0.000 0.864 276 T HN 0.386 nan 8.240 nan 0.000 0.427 277 E N 0.935 121.197 120.200 0.104 0.000 2.058 277 E HA -0.189 4.161 4.350 0.000 0.000 0.194 277 E C 2.399 179.030 176.600 0.051 0.000 0.997 277 E CA 1.157 57.601 56.400 0.072 0.000 0.801 277 E CB -0.253 29.475 29.700 0.046 0.000 0.746 277 E HN 0.455 nan 8.360 nan 0.000 0.450 278 A N 0.616 123.412 122.820 -0.040 0.000 1.849 278 A HA -0.206 4.114 4.320 0.000 0.000 0.217 278 A C 1.975 179.507 177.584 -0.088 0.000 1.202 278 A CA 1.768 53.721 52.037 -0.141 0.000 0.629 278 A CB -1.180 17.570 19.000 -0.416 0.000 0.834 278 A HN 0.392 nan 8.150 nan 0.000 0.447 279 F N 0.057 119.907 119.950 -0.167 0.000 2.216 279 F HA -0.054 4.473 4.527 0.000 0.000 0.300 279 F C 2.679 178.648 175.800 0.281 0.000 1.085 279 F CA 0.889 58.784 58.000 -0.176 0.000 1.326 279 F CB -0.411 38.392 39.000 -0.328 0.000 1.027 279 F HN 0.255 nan 8.300 nan 0.000 0.497 280 A N -0.706 122.325 122.820 0.353 0.000 2.168 280 A HA -0.078 4.242 4.320 0.000 0.000 0.215 280 A C 2.206 179.919 177.584 0.215 0.000 1.152 280 A CA 1.276 53.473 52.037 0.268 0.000 0.716 280 A CB -0.916 18.189 19.000 0.175 0.000 0.794 280 A HN 0.358 nan 8.150 nan 0.000 0.465 281 S N -1.066 114.779 115.700 0.243 0.000 2.489 281 S HA 0.053 4.523 4.470 0.000 0.000 0.228 281 S C 0.721 175.168 174.600 -0.257 0.000 0.995 281 S CA 0.052 58.263 58.200 0.017 0.000 0.934 281 S CB -0.257 62.950 63.200 0.013 0.000 0.771 281 S HN 0.626 nan 8.310 nan 0.000 0.522 282 H N 0.110 119.317 119.070 0.227 0.000 2.949 282 H HA 0.472 5.028 4.556 -0.000 0.000 0.356 282 H C -1.098 174.248 175.328 0.029 0.000 1.212 282 H CA -0.851 55.123 56.048 -0.124 0.000 1.136 282 H CB 1.074 30.389 29.762 -0.745 0.000 1.869 282 H HN 0.166 nan 8.280 nan 0.000 0.556 283 D N 0.488 120.918 120.400 0.049 0.000 2.360 283 D HA 0.012 4.652 4.640 0.000 0.000 0.242 283 D C 1.528 177.912 176.300 0.139 0.000 1.184 283 D CA -0.171 53.875 54.000 0.077 0.000 0.930 283 D CB 1.252 42.065 40.800 0.023 0.000 1.161 283 D HN 0.459 nan 8.370 nan 0.000 0.447 284 R N 0.695 121.294 120.500 0.165 0.000 2.091 284 R HA -0.175 4.165 4.340 0.000 0.000 0.238 284 R C 0.557 176.953 176.300 0.160 0.000 1.136 284 R CA 1.551 57.784 56.100 0.221 0.000 0.959 284 R CB 0.017 30.386 30.300 0.116 0.000 0.856 284 R HN 0.353 nan 8.270 nan 0.000 0.437 285 D N -0.715 119.726 120.400 0.068 0.000 2.224 285 D HA -0.151 4.489 4.640 0.000 0.000 0.205 285 D C 1.711 178.000 176.300 -0.019 0.000 0.965 285 D CA 0.808 54.826 54.000 0.029 0.000 0.852 285 D CB -0.440 40.363 40.800 0.005 0.000 0.947 285 D HN 0.415 nan 8.370 nan 0.000 0.494 286 H N -0.639 118.333 119.070 -0.163 0.000 2.290 286 H HA -0.161 4.395 4.556 0.000 0.000 0.298 286 H C 1.676 176.809 175.328 -0.324 0.000 1.087 286 H CA 1.647 57.483 56.048 -0.354 0.000 1.291 286 H CB -0.276 29.127 29.762 -0.599 0.000 1.369 286 H HN 0.275 nan 8.280 nan 0.000 0.492 287 W N 0.573 121.864 121.300 -0.015 0.000 2.388 287 W HA -0.021 4.639 4.660 -0.000 0.000 0.294 287 W C 2.946 179.527 176.519 0.104 0.000 1.212 287 W CA 0.517 57.909 57.345 0.078 0.000 1.271 287 W CB -0.581 29.129 29.460 0.417 0.000 1.126 287 W HN 0.267 nan 8.180 nan 0.000 0.535 288 G N 0.616 109.556 108.800 0.233 0.000 2.475 288 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 288 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 288 G C 1.619 176.547 174.900 0.047 0.000 1.125 288 G CA 1.443 46.628 45.100 0.141 0.000 0.755 288 G HN 0.334 nan 8.290 nan 0.000 0.565 289 A N -0.121 122.651 122.820 -0.080 0.000 1.903 289 A HA 0.270 4.590 4.320 0.000 0.000 0.213 289 A C 2.553 180.010 177.584 -0.213 0.000 1.185 289 A CA 1.313 53.264 52.037 -0.143 0.000 0.628 289 A CB -0.465 18.424 19.000 -0.185 0.000 0.830 289 A HN 0.203 nan 8.150 nan 0.000 0.446 290 V N -1.099 118.585 119.914 -0.383 0.000 2.324 290 V HA -0.251 3.869 4.120 0.000 0.000 0.250 290 V C 1.491 177.298 176.094 -0.479 0.000 1.060 290 V CA 1.871 63.859 62.300 -0.520 0.000 1.042 290 V CB -0.829 30.561 31.823 -0.721 0.000 0.650 290 V HN 0.584 nan 8.190 nan 0.000 0.450 291 F N -0.721 119.228 119.950 -0.002 0.000 2.850 291 F HA 0.562 5.089 4.527 0.000 0.000 0.306 291 F C 1.586 177.374 175.800 -0.019 0.000 1.162 291 F CA 0.309 58.312 58.000 0.004 0.000 1.327 291 F CB -0.352 38.671 39.000 0.038 0.000 0.953 291 F HN -0.007 nan 8.300 nan 0.000 0.507 292 A N 0.649 123.516 122.820 0.078 0.000 1.877 292 A HA -0.216 4.104 4.320 0.000 0.000 0.216 292 A C 1.810 179.410 177.584 0.026 0.000 1.186 292 A CA 1.919 53.979 52.037 0.039 0.000 0.620 292 A CB -0.493 18.503 19.000 -0.006 0.000 0.822 292 A HN 0.538 nan 8.150 nan 0.000 0.443 293 N N -0.826 117.886 118.700 0.020 0.000 2.184 293 N HA 0.088 4.828 4.740 0.000 0.000 0.206 293 N C 0.254 175.775 175.510 0.019 0.000 1.151 293 N CA 0.286 53.341 53.050 0.008 0.000 0.878 293 N CB 0.406 38.893 38.487 0.000 0.000 1.014 293 N HN 0.544 nan 8.380 nan 0.000 0.512 294 S N -0.304 115.432 115.700 0.060 0.000 2.634 294 S HA 0.154 4.624 4.470 0.000 0.000 0.261 294 S C 0.379 174.989 174.600 0.015 0.000 1.271 294 S CA -0.280 57.967 58.200 0.077 0.000 0.985 294 S CB 1.054 64.364 63.200 0.182 0.000 0.968 294 S HN -0.052 nan 8.310 nan 0.000 0.568 295 D N 0.302 120.708 120.400 0.009 0.000 2.395 295 D HA 0.384 5.024 4.640 0.000 0.000 0.226 295 D C 1.381 177.595 176.300 -0.144 0.000 1.146 295 D CA 0.239 54.156 54.000 -0.139 0.000 0.830 295 D CB -0.150 40.612 40.800 -0.062 0.000 0.958 295 D HN 0.642 nan 8.370 nan 0.000 0.501 296 A N -0.558 122.251 122.820 -0.018 0.000 2.209 296 A HA -0.032 4.288 4.320 0.000 0.000 0.212 296 A C 1.419 178.903 177.584 -0.166 0.000 1.158 296 A CA 0.058 52.071 52.037 -0.039 0.000 0.742 296 A CB -0.551 18.424 19.000 -0.043 0.000 0.790 296 A HN 0.393 nan 8.150 nan 0.000 0.472 297 C N -1.150 118.026 119.300 -0.206 0.000 4.350 297 C HA -0.101 4.359 4.460 0.000 0.000 0.302 297 C C 0.332 175.190 174.990 -0.220 0.000 1.390 297 C CA 0.278 59.177 59.018 -0.198 0.000 2.016 297 C CB -3.234 24.434 27.740 -0.120 0.000 1.271 297 C HN 0.417 nan 8.230 nan 0.000 0.760 298 V N 0.982 120.723 119.914 -0.288 0.000 2.487 298 V HA 0.803 4.923 4.120 0.000 0.000 0.298 298 V C 0.351 176.346 176.094 -0.165 0.000 1.028 298 V CA 0.277 62.373 62.300 -0.339 0.000 0.860 298 V CB 2.379 33.750 31.823 -0.752 0.000 0.991 298 V HN 0.580 nan 8.190 nan 0.000 0.427 299 T N 3.218 117.694 114.554 -0.129 0.000 2.903 299 T HA 0.659 5.009 4.350 0.000 0.000 0.299 299 T C -3.112 171.568 174.700 -0.034 0.000 1.093 299 T CA -2.136 59.927 62.100 -0.062 0.000 1.002 299 T CB 2.521 71.340 68.868 -0.083 0.000 1.127 299 T HN 0.456 nan 8.240 nan 0.000 0.488 300 P HA 0.298 nan 4.420 nan 0.000 0.275 300 P C -0.570 176.725 177.300 -0.008 0.000 1.227 300 P CA -0.448 62.666 63.100 0.023 0.000 0.781 300 P CB 0.902 32.621 31.700 0.031 0.000 0.906 301 V N 4.907 124.827 119.914 0.009 0.000 2.339 301 V HA 0.125 4.245 4.120 0.000 0.000 0.261 301 V C 0.726 176.814 176.094 -0.010 0.000 1.058 301 V CA -0.208 62.089 62.300 -0.006 0.000 0.897 301 V CB -0.167 31.674 31.823 0.029 0.000 1.052 301 V HN 0.378 nan 8.190 nan 0.000 0.480 302 L N 4.593 125.785 121.223 -0.053 0.000 2.292 302 L HA 0.627 4.967 4.340 0.000 0.000 0.284 302 L C 0.889 177.680 176.870 -0.131 0.000 1.065 302 L CA -0.256 54.543 54.840 -0.069 0.000 0.806 302 L CB 1.282 43.299 42.059 -0.071 0.000 1.175 302 L HN 0.662 nan 8.230 nan 0.000 0.431 303 A N 2.821 125.575 122.820 -0.109 0.000 2.406 303 A HA 0.232 4.552 4.320 0.000 0.000 0.243 303 A C 0.913 178.410 177.584 -0.146 0.000 1.082 303 A CA -0.048 51.886 52.037 -0.172 0.000 0.786 303 A CB 0.041 19.006 19.000 -0.058 0.000 1.029 303 A HN 0.726 nan 8.150 nan 0.000 0.495 304 F N 1.153 121.092 119.950 -0.017 0.000 2.115 304 F HA -0.213 4.314 4.527 0.000 0.000 0.300 304 F C 2.493 178.256 175.800 -0.061 0.000 1.092 304 F CA 1.704 59.673 58.000 -0.051 0.000 1.245 304 F CB -0.322 38.659 39.000 -0.031 0.000 0.995 304 F HN 0.669 nan 8.300 nan 0.000 0.481 305 G N -0.713 108.189 108.800 0.171 0.000 2.598 305 G HA2 -0.121 3.839 3.960 0.000 0.000 0.215 305 G HA3 -0.121 3.839 3.960 0.000 0.000 0.215 305 G C 1.280 176.289 174.900 0.182 0.000 1.131 305 G CA 0.437 45.614 45.100 0.128 0.000 0.785 305 G HN 0.394 nan 8.290 nan 0.000 0.539 306 E N -0.198 120.056 120.200 0.090 0.000 2.415 306 E HA 0.085 4.435 4.350 0.000 0.000 0.197 306 E C 2.379 178.913 176.600 -0.109 0.000 1.007 306 E CA -0.210 56.192 56.400 0.003 0.000 0.890 306 E CB 0.368 30.045 29.700 -0.039 0.000 0.891 306 E HN 0.237 nan 8.360 nan 0.000 0.496 307 V N 3.143 122.998 119.914 -0.097 0.000 2.324 307 V HA -0.326 3.794 4.120 0.000 0.000 0.250 307 V C 2.571 178.467 176.094 -0.331 0.000 1.060 307 V CA 2.330 64.505 62.300 -0.208 0.000 1.042 307 V CB -0.996 30.662 31.823 -0.276 0.000 0.650 307 V HN 0.538 nan 8.190 nan 0.000 0.450 308 H N 0.241 118.986 119.070 -0.542 0.000 2.489 308 H HA -0.127 4.429 4.556 0.000 0.000 0.295 308 H C 1.563 176.660 175.328 -0.385 0.000 1.082 308 H CA 1.728 57.339 56.048 -0.728 0.000 1.295 308 H CB -0.509 28.663 29.762 -0.984 0.000 1.380 308 H HN 0.442 nan 8.280 nan 0.000 0.548 309 N N 0.813 119.045 118.700 -0.781 0.000 2.353 309 N HA -0.033 4.707 4.740 0.000 0.000 0.185 309 N C 0.122 175.478 175.510 -0.257 0.000 1.098 309 N CA 0.225 52.966 53.050 -0.516 0.000 0.872 309 N CB 0.258 38.441 38.487 -0.507 0.000 0.970 309 N HN 0.455 nan 8.380 nan 0.000 0.467 310 E N 1.504 121.578 120.200 -0.210 0.000 2.223 310 E HA 0.164 4.514 4.350 0.000 0.000 0.282 310 E C -1.692 174.874 176.600 -0.058 0.000 1.046 310 E CA -1.969 54.370 56.400 -0.102 0.000 0.857 310 E CB 1.257 30.920 29.700 -0.062 0.000 1.055 310 E HN -0.028 nan 8.360 nan 0.000 0.409 311 P HA -0.202 nan 4.420 nan 0.000 0.216 311 P C 0.717 178.035 177.300 0.030 0.000 1.157 311 P CA 1.455 64.554 63.100 -0.002 0.000 0.880 311 P CB 0.025 31.732 31.700 0.012 0.000 0.791 312 H N -0.851 118.207 119.070 -0.020 0.000 2.387 312 H HA -0.082 4.474 4.556 0.000 0.000 0.299 312 H C 1.830 177.163 175.328 0.009 0.000 1.090 312 H CA 1.266 57.310 56.048 -0.005 0.000 1.332 312 H CB -0.564 29.195 29.762 -0.005 0.000 1.386 312 H HN -0.076 nan 8.280 nan 0.000 0.516 313 I N 0.177 120.772 120.570 0.042 0.000 2.163 313 I HA -0.229 3.941 4.170 0.000 0.000 0.240 313 I C 2.348 178.462 176.117 -0.005 0.000 1.081 313 I CA 1.149 62.472 61.300 0.039 0.000 1.353 313 I CB -1.013 37.024 38.000 0.063 0.000 1.054 313 I HN 0.336 nan 8.210 nan 0.000 0.407 314 I N 0.794 121.339 120.570 -0.042 0.000 2.099 314 I HA -0.284 3.886 4.170 0.000 0.000 0.239 314 I C 2.522 178.627 176.117 -0.020 0.000 1.066 314 I CA 1.395 62.674 61.300 -0.034 0.000 1.324 314 I CB -0.517 37.456 38.000 -0.044 0.000 1.037 314 I HN 0.196 nan 8.210 nan 0.000 0.401 315 E N 0.868 121.036 120.200 -0.053 0.000 2.160 315 E HA -0.200 4.150 4.350 0.000 0.000 0.195 315 E C 2.061 178.614 176.600 -0.079 0.000 0.991 315 E CA 1.217 57.582 56.400 -0.059 0.000 0.810 315 E CB -0.329 29.329 29.700 -0.070 0.000 0.742 315 E HN 0.540 nan 8.360 nan 0.000 0.466 316 R N 0.534 120.953 120.500 -0.134 0.000 2.334 316 R HA 0.085 4.425 4.340 0.000 0.000 0.216 316 R C -0.104 176.171 176.300 -0.041 0.000 0.905 316 R CA -0.141 55.885 56.100 -0.123 0.000 1.064 316 R CB 0.095 30.255 30.300 -0.234 0.000 1.046 316 R HN 0.035 nan 8.270 nan 0.000 0.508 317 N N 0.838 119.546 118.700 0.013 0.000 2.714 317 N HA -0.166 4.574 4.740 0.000 0.000 0.252 317 N C 0.226 175.778 175.510 0.070 0.000 1.014 317 N CA 1.120 54.222 53.050 0.086 0.000 0.735 317 N CB -1.165 37.373 38.487 0.086 0.000 0.924 317 N HN 0.197 nan 8.380 nan 0.000 0.540 318 T N -1.291 113.288 114.554 0.042 0.000 2.915 318 T HA -0.014 4.336 4.350 0.000 0.000 0.269 318 T C 0.567 175.103 174.700 -0.272 0.000 1.071 318 T CA 1.104 63.144 62.100 -0.100 0.000 1.132 318 T CB 0.018 68.843 68.868 -0.073 0.000 0.878 318 T HN 0.311 nan 8.240 nan 0.000 0.479 319 F N -0.057 119.980 119.950 0.146 0.000 2.598 319 F HA 0.574 5.101 4.527 -0.000 0.000 0.327 319 F C -0.480 175.601 175.800 0.469 0.000 1.057 319 F CA -1.814 56.343 58.000 0.263 0.000 0.957 319 F CB 1.531 40.645 39.000 0.191 0.000 1.278 319 F HN 0.060 nan 8.300 nan 0.000 0.484 320 Y N -1.633 119.010 120.300 0.571 0.000 2.545 320 Y HA 0.619 5.169 4.550 -0.000 0.000 0.348 320 Y C -1.061 174.960 175.900 0.202 0.000 1.002 320 Y CA -1.420 56.913 58.100 0.389 0.000 1.039 320 Y CB 1.001 39.560 38.460 0.165 0.000 1.271 320 Y HN 0.534 nan 8.280 nan 0.000 0.467 321 E N 2.150 122.195 120.200 -0.258 0.000 2.180 321 E HA 0.516 4.866 4.350 0.000 0.000 0.283 321 E C -0.493 175.954 176.600 -0.254 0.000 1.061 321 E CA -0.412 55.590 56.400 -0.662 0.000 0.861 321 E CB 1.134 30.289 29.700 -0.908 0.000 1.056 321 E HN 0.789 nan 8.360 nan 0.000 0.407 322 A N 4.051 126.670 122.820 -0.335 0.000 2.239 322 A HA 0.201 4.521 4.320 0.000 0.000 0.303 322 A C 0.176 177.674 177.584 -0.144 0.000 1.114 322 A CA -0.775 51.200 52.037 -0.103 0.000 0.871 322 A CB 0.401 19.341 19.000 -0.099 0.000 1.201 322 A HN 0.825 nan 8.150 nan 0.000 0.506 323 N N -0.218 118.436 118.700 -0.077 0.000 2.447 323 N HA 0.275 5.015 4.740 0.000 0.000 0.263 323 N C 0.720 176.165 175.510 -0.108 0.000 1.226 323 N CA 0.992 53.988 53.050 -0.090 0.000 0.906 323 N CB 0.636 39.092 38.487 -0.052 0.000 1.060 323 N HN 1.644 nan 8.380 nan 0.000 0.468 324 G N 1.254 109.975 108.800 -0.131 0.000 2.195 324 G HA2 -0.052 3.908 3.960 0.000 0.000 0.246 324 G HA3 -0.052 3.908 3.960 0.000 0.000 0.246 324 G C 0.320 175.137 174.900 -0.138 0.000 0.984 324 G CA 0.105 45.136 45.100 -0.115 0.000 0.633 324 G HN 1.343 nan 8.290 nan 0.000 0.525 325 G N -2.182 106.493 108.800 -0.210 0.000 2.340 325 G HA2 0.444 4.404 3.960 0.000 0.000 0.300 325 G HA3 0.444 4.404 3.960 0.000 0.000 0.300 325 G C -0.792 173.945 174.900 -0.272 0.000 1.488 325 G CA -0.237 44.739 45.100 -0.207 0.000 0.878 325 G HN 0.766 nan 8.290 nan 0.000 0.618 326 W N 0.784 121.983 121.300 -0.169 0.000 2.190 326 W HA 0.576 5.236 4.660 0.000 0.000 0.330 326 W C 0.540 176.978 176.519 -0.135 0.000 1.299 326 W CA 0.066 57.313 57.345 -0.164 0.000 1.215 326 W CB 0.868 30.220 29.460 -0.180 0.000 1.147 326 W HN 0.333 nan 8.180 nan 0.000 0.563 327 Q N 3.752 123.542 119.800 -0.017 0.000 2.423 327 Q HA 0.391 4.731 4.340 0.000 0.000 0.278 327 Q C -2.425 173.646 176.000 0.118 0.000 1.097 327 Q CA -2.289 53.493 55.803 -0.035 0.000 0.809 327 Q CB 1.747 30.281 28.738 -0.340 0.000 1.391 327 Q HN 0.144 nan 8.270 nan 0.000 0.428 328 P HA 0.132 nan 4.420 nan 0.000 0.275 328 P C -0.242 177.088 177.300 0.049 0.000 1.227 328 P CA -0.245 62.678 63.100 -0.295 0.000 0.781 328 P CB 0.654 32.175 31.700 -0.299 0.000 0.906 329 M N 3.496 123.119 119.600 0.039 0.000 2.207 329 M HA 0.227 4.707 4.480 0.000 0.000 0.311 329 M C -1.880 174.427 176.300 0.012 0.000 1.127 329 M CA -1.731 53.638 55.300 0.114 0.000 1.181 329 M CB -1.127 31.513 32.600 0.067 0.000 1.409 329 M HN 0.191 nan 8.290 nan 0.000 0.461 330 P HA 0.213 nan 4.420 nan 0.000 0.266 330 P C -1.327 175.974 177.300 0.002 0.000 1.195 330 P CA -0.014 63.091 63.100 0.009 0.000 0.768 330 P CB 0.435 32.150 31.700 0.025 0.000 0.838 331 A N 3.432 126.252 122.820 -0.001 0.000 2.454 331 A HA 0.776 5.096 4.320 0.000 0.000 0.302 331 A C -2.437 175.146 177.584 -0.000 0.000 1.079 331 A CA -1.259 50.762 52.037 -0.027 0.000 0.731 331 A CB 0.581 19.551 19.000 -0.050 0.000 1.299 331 A HN 0.401 nan 8.150 nan 0.000 0.413 332 P HA 0.486 nan 4.420 nan 0.000 0.297 332 P C -0.842 176.239 177.300 -0.366 0.000 1.303 332 P CA -0.441 62.520 63.100 -0.233 0.000 0.753 332 P CB 0.536 32.037 31.700 -0.332 0.000 1.281 333 R N -0.988 119.246 120.500 -0.444 0.000 2.604 333 R HA 0.614 4.954 4.340 0.000 0.000 0.287 333 R C -0.733 175.217 176.300 -0.584 0.000 0.970 333 R CA -0.431 55.469 56.100 -0.333 0.000 0.946 333 R CB 0.820 31.036 30.300 -0.140 0.000 1.127 333 R HN 0.352 nan 8.270 nan 0.000 0.473 334 F N -0.121 119.817 119.950 -0.019 0.000 2.507 334 F HA 0.173 4.700 4.527 0.000 0.000 0.325 334 F C 1.468 177.260 175.800 -0.013 0.000 1.116 334 F CA -0.680 57.310 58.000 -0.016 0.000 0.930 334 F CB 2.152 41.142 39.000 -0.017 0.000 1.146 334 F HN 0.600 nan 8.300 nan 0.000 0.447 335 S N 1.979 117.756 115.700 0.128 0.000 2.387 335 S HA -0.086 4.384 4.470 0.000 0.000 0.226 335 S C 1.846 176.491 174.600 0.075 0.000 1.026 335 S CA 0.974 59.217 58.200 0.071 0.000 0.972 335 S CB -0.069 63.156 63.200 0.041 0.000 0.814 335 S HN 0.767 nan 8.310 nan 0.000 0.477 336 R N 1.466 122.021 120.500 0.093 0.000 2.102 336 R HA 0.082 4.422 4.340 0.000 0.000 0.208 336 R C 0.382 176.709 176.300 0.046 0.000 1.131 336 R CA 1.274 57.408 56.100 0.057 0.000 1.054 336 R CB -0.090 30.237 30.300 0.045 0.000 0.954 336 R HN 0.497 nan 8.270 nan 0.000 0.465 337 T N -0.318 114.265 114.554 0.048 0.000 3.471 337 T HA 0.616 4.966 4.350 0.000 0.000 0.355 337 T C -0.046 174.657 174.700 0.005 0.000 1.775 337 T CA -0.578 61.514 62.100 -0.012 0.000 1.305 337 T CB 0.987 69.802 68.868 -0.090 0.000 1.171 337 T HN 0.304 nan 8.240 nan 0.000 0.776 338 A N 2.335 125.188 122.820 0.055 0.000 2.425 338 A HA 0.586 4.906 4.320 0.000 0.000 0.242 338 A C 0.743 178.351 177.584 0.040 0.000 1.077 338 A CA -0.538 51.557 52.037 0.097 0.000 0.781 338 A CB 0.149 19.191 19.000 0.071 0.000 1.020 338 A HN 0.685 nan 8.150 nan 0.000 0.494 339 S N 0.540 116.283 115.700 0.072 0.000 2.601 339 S HA 0.412 4.882 4.470 0.000 0.000 0.271 339 S C 0.621 175.213 174.600 -0.014 0.000 1.305 339 S CA -0.509 57.699 58.200 0.015 0.000 1.022 339 S CB 0.918 64.147 63.200 0.048 0.000 0.940 339 S HN 0.762 nan 8.310 nan 0.000 0.525 340 S N 1.456 117.130 115.700 -0.044 0.000 2.632 340 S HA 0.205 4.675 4.470 0.000 0.000 0.267 340 S C 0.123 174.652 174.600 -0.118 0.000 1.276 340 S CA -0.691 57.468 58.200 -0.068 0.000 0.998 340 S CB 0.481 63.641 63.200 -0.066 0.000 0.953 340 S HN 0.728 nan 8.310 nan 0.000 0.547 341 Q N 1.428 121.130 119.800 -0.164 0.000 2.286 341 Q HA 0.086 4.426 4.340 0.000 0.000 0.290 341 Q C -2.369 173.441 176.000 -0.316 0.000 1.049 341 Q CA -1.212 54.395 55.803 -0.327 0.000 0.923 341 Q CB 0.092 28.635 28.738 -0.325 0.000 1.183 341 Q HN 0.224 nan 8.270 nan 0.000 0.383 342 P HA 0.001 nan 4.420 nan 0.000 0.269 342 P C -1.151 176.069 177.300 -0.134 0.000 1.209 342 P CA 0.321 63.302 63.100 -0.198 0.000 0.776 342 P CB 0.545 32.185 31.700 -0.100 0.000 0.876 343 R N 3.944 124.410 120.500 -0.056 0.000 2.308 343 R HA 0.315 4.655 4.340 0.000 0.000 0.305 343 R C -1.888 174.421 176.300 0.014 0.000 1.053 343 R CA -1.636 54.450 56.100 -0.024 0.000 0.957 343 R CB 0.068 30.356 30.300 -0.020 0.000 1.022 343 R HN 0.444 nan 8.270 nan 0.000 0.461 344 P HA 0.096 nan 4.420 nan 0.000 0.272 344 P C -2.502 174.813 177.300 0.026 0.000 1.240 344 P CA -1.396 61.732 63.100 0.047 0.000 0.791 344 P CB -0.180 31.545 31.700 0.042 0.000 0.978 345 P HA 0.162 nan 4.420 nan 0.000 0.266 345 P C -0.508 176.796 177.300 0.007 0.000 1.195 345 P CA 0.618 63.727 63.100 0.014 0.000 0.768 345 P CB 0.151 31.860 31.700 0.015 0.000 0.838 346 A N 2.507 125.328 122.820 0.001 0.000 2.389 346 A HA 0.799 5.119 4.320 0.000 0.000 0.293 346 A C -0.392 177.188 177.584 -0.007 0.000 1.186 346 A CA -0.567 51.467 52.037 -0.004 0.000 0.828 346 A CB 0.783 19.779 19.000 -0.007 0.000 1.369 346 A HN 0.533 nan 8.150 nan 0.000 0.446 347 A N 0.014 122.828 122.820 -0.009 0.000 2.507 347 A HA 0.490 4.810 4.320 0.000 0.000 0.235 347 A C 0.707 178.282 177.584 -0.016 0.000 1.070 347 A CA 0.505 52.536 52.037 -0.011 0.000 0.768 347 A CB -0.718 18.275 19.000 -0.011 0.000 1.011 347 A HN 0.942 nan 8.150 nan 0.000 0.502 348 T N 1.787 116.331 114.554 -0.015 0.000 2.946 348 T HA 0.372 4.722 4.350 0.000 0.000 0.311 348 T C 0.470 175.153 174.700 -0.028 0.000 1.063 348 T CA 1.109 63.196 62.100 -0.021 0.000 1.139 348 T CB -0.327 68.531 68.868 -0.017 0.000 0.994 348 T HN 0.663 nan 8.240 nan 0.000 0.547 349 I N -0.954 119.593 120.570 -0.039 0.000 2.957 349 I HA 0.639 4.809 4.170 0.000 0.000 0.310 349 I C -0.480 175.606 176.117 -0.053 0.000 1.063 349 I CA -1.440 59.833 61.300 -0.045 0.000 1.033 349 I CB 1.858 39.826 38.000 -0.053 0.000 1.230 349 I HN 0.270 nan 8.210 nan 0.000 0.447 350 D N 2.914 123.284 120.400 -0.051 0.000 2.382 350 D HA 0.069 4.709 4.640 0.000 0.000 0.259 350 D C 0.958 177.215 176.300 -0.072 0.000 1.224 350 D CA 0.228 54.198 54.000 -0.051 0.000 0.894 350 D CB 0.886 41.662 40.800 -0.040 0.000 1.127 350 D HN 0.696 nan 8.370 nan 0.000 0.487 351 I N 3.412 123.939 120.570 -0.071 0.000 2.315 351 I HA -0.235 3.935 4.170 0.000 0.000 0.251 351 I C 1.602 177.662 176.117 -0.094 0.000 1.125 351 I CA 1.257 62.501 61.300 -0.093 0.000 1.392 351 I CB 0.221 38.178 38.000 -0.071 0.000 1.065 351 I HN 0.455 nan 8.210 nan 0.000 0.424 352 E N 0.819 120.981 120.200 -0.064 0.000 2.150 352 E HA -0.165 4.185 4.350 0.000 0.000 0.193 352 E C 2.206 178.772 176.600 -0.058 0.000 0.985 352 E CA 1.160 57.530 56.400 -0.050 0.000 0.814 352 E CB -0.126 29.555 29.700 -0.031 0.000 0.752 352 E HN 0.664 nan 8.360 nan 0.000 0.466 353 A N 0.803 123.582 122.820 -0.067 0.000 1.930 353 A HA -0.106 4.214 4.320 0.000 0.000 0.217 353 A C 2.510 180.034 177.584 -0.101 0.000 1.175 353 A CA 1.063 53.060 52.037 -0.066 0.000 0.627 353 A CB -0.392 18.572 19.000 -0.060 0.000 0.815 353 A HN 0.121 nan 8.150 nan 0.000 0.443 354 V N -0.070 119.741 119.914 -0.171 0.000 2.453 354 V HA -0.187 3.933 4.120 0.000 0.000 0.247 354 V C 2.473 178.398 176.094 -0.281 0.000 1.048 354 V CA 1.538 63.648 62.300 -0.316 0.000 1.049 354 V CB -0.703 30.832 31.823 -0.480 0.000 0.672 354 V HN 0.553 nan 8.190 nan 0.000 0.457 355 L N -0.198 120.931 121.223 -0.157 0.000 2.083 355 L HA -0.185 4.155 4.340 0.000 0.000 0.209 355 L C 2.637 179.526 176.870 0.032 0.000 1.083 355 L CA 1.838 56.658 54.840 -0.032 0.000 0.752 355 L CB -0.764 41.285 42.059 -0.016 0.000 0.899 355 L HN 0.369 nan 8.230 nan 0.000 0.433 356 T N -1.170 113.386 114.554 0.004 0.000 2.708 356 T HA -0.229 4.121 4.350 0.000 0.000 0.266 356 T C 1.510 176.245 174.700 0.059 0.000 1.037 356 T CA 1.713 63.829 62.100 0.026 0.000 1.146 356 T CB -0.250 68.621 68.868 0.005 0.000 0.865 356 T HN 0.356 nan 8.240 nan 0.000 0.435 357 D N -0.378 120.051 120.400 0.049 0.000 2.149 357 D HA -0.129 4.511 4.640 0.000 0.000 0.198 357 D C 1.515 177.985 176.300 0.283 0.000 0.990 357 D CA 1.111 55.180 54.000 0.114 0.000 0.839 357 D CB -0.110 40.722 40.800 0.053 0.000 0.948 357 D HN 0.417 nan 8.370 nan 0.000 0.460 358 W N 0.630 121.926 121.300 -0.006 0.000 2.630 358 W HA 0.277 4.937 4.660 0.001 0.000 0.271 358 W C 0.283 176.800 176.519 -0.005 0.000 1.244 358 W CA 0.495 57.836 57.345 -0.006 0.000 1.353 358 W CB 0.113 29.570 29.460 -0.005 0.000 1.080 358 W HN -0.026 nan 8.180 nan 0.000 0.594 359 D N -1.327 119.202 120.400 0.215 0.000 2.995 359 D HA -0.091 4.549 4.640 0.000 0.000 0.219 359 D C 0.539 176.906 176.300 0.111 0.000 1.090 359 D CA 0.945 55.017 54.000 0.120 0.000 0.816 359 D CB -1.299 39.548 40.800 0.079 0.000 1.091 359 D HN 0.217 nan 8.370 nan 0.000 0.440 360 G N 0.000 108.880 108.800 0.133 0.000 5.446 360 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 360 G CA 0.000 45.167 45.100 0.112 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925