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 2vvs_1_A DATA FIRST_RESID 5 DATA SEQUENCE LQPPPQQLIV QNKTIDLPAV YQLNGGEEAN PHAVKVLKEL LXXXXXXXXG DATA SEQUENCE MLISIGEKGD KSVRKYSRQI PDHKEGYYLS VNEKEIVLAG NDERGTYYAL DATA SEQUENCE QTFAQLLKDG KLPEVEIKDY PSVRYRGVVE GFYGTPWSHQ ARLSQLKFYG DATA SEQUENCE KNKMNTYIYG PKDDPYHSAP NWRLPYPDKE AAQLQELVAV ANENEVDFVW DATA SEQUENCE AIHPGQDIKW NKEDRDLLLA KFEKMYQLGV RSFAVFFDDI SGEGTNPQKQ DATA SEQUENCE AELLNYIDEK FAQVKPDINQ LVMCPTEYNK SWSNPNGNYL TTLGDKLNPS DATA SEQUENCE IQIMWTGDRV ISDITRDGIS WINERIKRPA YIWWNFPVSD YVRDHLLLGP DATA SEQUENCE VYGNDTTIAK EMSGFVTNPM EHAESSKIAI YSVASYAWNP AKYDTWQTWK DATA SEQUENCE DAIRTILPSA AEELECFAMH NSDLGPNGHG YRREESMDIQ PAAERFLKAF DATA SEQUENCE KEGKNYDKAD FETLQYTFER MKESADILLM NTENKPLIVE ITPWVHQFKL DATA SEQUENCE TAEMGEEVLK MVEGRNESYF LRKYNHVKAL QQQMFYIDQT SNQNPYQPGV DATA SEQUENCE KTATRVIKPL IDRTFATVVK FFNQKFNAHL DATTDYMP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.830 176.870 -0.067 0.000 1.165 5 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 5 L CB 0.000 42.030 42.059 -0.048 0.000 0.961 6 Q N 2.909 122.633 119.800 -0.127 0.000 2.330 6 Q HA 0.529 4.868 4.340 -0.002 0.000 0.269 6 Q C -2.542 173.206 176.000 -0.419 0.000 1.022 6 Q CA -1.795 53.867 55.803 -0.237 0.000 0.796 6 Q CB 2.840 31.423 28.738 -0.259 0.000 1.271 6 Q HN 0.203 nan 8.270 nan 0.000 0.450 7 P HA 0.185 nan 4.420 nan 0.000 0.272 7 P C -2.506 174.676 177.300 -0.196 0.000 1.240 7 P CA -1.269 61.637 63.100 -0.323 0.000 0.791 7 P CB -0.225 31.239 31.700 -0.394 0.000 0.978 8 P HA 0.252 nan 4.420 nan 0.000 0.276 8 P C -2.455 174.889 177.300 0.074 0.000 1.235 8 P CA -1.528 61.578 63.100 0.011 0.000 0.772 8 P CB -0.790 30.931 31.700 0.035 0.000 0.871 9 P HA 0.030 nan 4.420 nan 0.000 0.269 9 P C 1.108 178.396 177.300 -0.020 0.000 1.215 9 P CA 0.080 63.228 63.100 0.079 0.000 0.780 9 P CB 0.409 32.127 31.700 0.029 0.000 0.898 10 Q N 0.708 120.414 119.800 -0.157 0.000 2.124 10 Q HA -0.152 4.187 4.340 -0.002 0.000 0.202 10 Q C 0.576 176.484 176.000 -0.154 0.000 0.977 10 Q CA 1.629 57.257 55.803 -0.292 0.000 0.850 10 Q CB 0.100 28.418 28.738 -0.701 0.000 0.901 10 Q HN 0.588 nan 8.270 nan 0.000 0.429 11 Q N -0.502 119.231 119.800 -0.111 0.000 2.289 11 Q HA 0.558 4.896 4.340 -0.002 0.000 0.270 11 Q C -1.967 174.020 176.000 -0.022 0.000 1.038 11 Q CA -0.271 55.505 55.803 -0.045 0.000 0.812 11 Q CB 1.736 30.466 28.738 -0.014 0.000 1.300 11 Q HN 0.161 nan 8.270 nan 0.000 0.427 12 L N 5.753 126.974 121.223 -0.005 0.000 2.505 12 L HA 0.573 4.912 4.340 -0.002 0.000 0.266 12 L C -1.764 175.113 176.870 0.011 0.000 0.954 12 L CA -0.634 54.208 54.840 0.004 0.000 0.852 12 L CB 1.793 43.852 42.059 0.001 0.000 1.282 12 L HN 0.734 nan 8.230 nan 0.000 0.403 13 I N 5.302 125.883 120.570 0.018 0.000 2.389 13 I HA 0.398 4.567 4.170 -0.002 0.000 0.288 13 I C -0.456 175.670 176.117 0.015 0.000 0.999 13 I CA -0.818 60.494 61.300 0.021 0.000 1.129 13 I CB 1.990 40.010 38.000 0.033 0.000 1.288 13 I HN 0.177 nan 8.210 nan 0.000 0.444 14 V N 5.624 125.545 119.914 0.011 0.000 2.347 14 V HA 0.319 4.438 4.120 -0.002 0.000 0.280 14 V C 0.124 176.223 176.094 0.009 0.000 1.021 14 V CA -0.692 61.612 62.300 0.007 0.000 0.847 14 V CB 1.253 33.077 31.823 0.002 0.000 0.990 14 V HN 0.639 nan 8.190 nan 0.000 0.444 15 Q N 2.896 122.702 119.800 0.010 0.000 2.396 15 Q HA 0.319 4.658 4.340 -0.002 0.000 0.221 15 Q C 1.121 177.124 176.000 0.006 0.000 1.025 15 Q CA -0.013 55.797 55.803 0.011 0.000 0.946 15 Q CB 0.515 29.262 28.738 0.014 0.000 1.224 15 Q HN 0.610 nan 8.270 nan 0.000 0.539 16 N N 0.278 118.982 118.700 0.007 0.000 2.376 16 N HA -0.027 4.712 4.740 -0.002 0.000 0.177 16 N C -0.496 175.016 175.510 0.002 0.000 1.024 16 N CA 0.530 53.583 53.050 0.004 0.000 0.893 16 N CB 0.167 38.656 38.487 0.005 0.000 0.980 16 N HN 0.323 nan 8.380 nan 0.000 0.439 17 K N 1.294 121.697 120.400 0.005 0.000 2.436 17 K HA 0.051 4.370 4.320 -0.002 0.000 0.275 17 K C 0.425 177.025 176.600 0.001 0.000 0.999 17 K CA 0.364 56.654 56.287 0.005 0.000 0.980 17 K CB 0.428 32.934 32.500 0.010 0.000 0.919 17 K HN 0.168 nan 8.250 nan 0.000 0.484 18 T N -0.081 114.472 114.554 -0.002 0.000 2.918 18 T HA 0.670 5.019 4.350 -0.002 0.000 0.286 18 T C -0.051 174.648 174.700 -0.002 0.000 1.026 18 T CA -1.082 61.013 62.100 -0.007 0.000 1.031 18 T CB 0.822 69.681 68.868 -0.015 0.000 1.046 18 T HN 0.555 nan 8.240 nan 0.000 0.479 19 I N -1.458 119.110 120.570 -0.003 0.000 2.740 19 I HA 0.677 4.846 4.170 -0.002 0.000 0.303 19 I C -1.041 175.075 176.117 -0.001 0.000 1.044 19 I CA -1.100 60.203 61.300 0.005 0.000 1.064 19 I CB 1.891 39.901 38.000 0.017 0.000 1.249 19 I HN 0.405 nan 8.210 nan 0.000 0.433 20 D N 4.149 124.553 120.400 0.006 0.000 2.339 20 D HA 0.328 4.967 4.640 -0.002 0.000 0.245 20 D C 0.059 176.367 176.300 0.013 0.000 1.115 20 D CA -0.118 53.884 54.000 0.004 0.000 0.917 20 D CB 1.549 42.355 40.800 0.010 0.000 1.192 20 D HN 0.501 nan 8.370 nan 0.000 0.428 21 L N 2.073 123.299 121.223 0.005 0.000 2.506 21 L HA 0.083 4.422 4.340 -0.002 0.000 0.281 21 L C -1.782 175.116 176.870 0.048 0.000 1.228 21 L CA -1.126 53.727 54.840 0.022 0.000 0.850 21 L CB 0.215 42.276 42.059 0.005 0.000 1.110 21 L HN 0.172 nan 8.230 nan 0.000 0.496 22 P HA 0.148 nan 4.420 nan 0.000 0.287 22 P C -0.219 177.166 177.300 0.143 0.000 1.281 22 P CA -0.429 62.737 63.100 0.110 0.000 0.781 22 P CB 1.570 33.362 31.700 0.153 0.000 0.903 23 A N 3.881 126.766 122.820 0.108 0.000 1.930 23 A HA 0.032 4.351 4.320 -0.002 0.000 0.217 23 A C 0.858 178.518 177.584 0.127 0.000 1.175 23 A CA 1.209 53.309 52.037 0.106 0.000 0.627 23 A CB -0.438 18.598 19.000 0.060 0.000 0.815 23 A HN 0.438 nan 8.150 nan 0.000 0.443 24 V N 0.922 120.897 119.914 0.102 0.000 2.350 24 V HA 0.491 4.610 4.120 -0.002 0.000 0.285 24 V C -0.683 175.470 176.094 0.097 0.000 1.014 24 V CA -0.708 61.616 62.300 0.040 0.000 0.831 24 V CB 0.179 32.004 31.823 0.005 0.000 1.000 24 V HN 0.471 nan 8.190 nan 0.000 0.433 25 Y N 2.040 122.351 120.300 0.018 0.000 2.570 25 Y HA 0.782 5.331 4.550 -0.002 0.000 0.345 25 Y C -0.465 175.444 175.900 0.015 0.000 1.014 25 Y CA -1.322 56.789 58.100 0.019 0.000 1.063 25 Y CB 1.758 40.231 38.460 0.022 0.000 1.272 25 Y HN 0.509 nan 8.280 nan 0.000 0.477 26 Q N 3.396 123.295 119.800 0.165 0.000 2.347 26 Q HA 0.393 4.732 4.340 -0.002 0.000 0.262 26 Q C -1.200 174.942 176.000 0.236 0.000 0.980 26 Q CA -0.671 55.192 55.803 0.100 0.000 0.867 26 Q CB 2.224 31.000 28.738 0.062 0.000 1.242 26 Q HN 0.727 nan 8.270 nan 0.000 0.453 27 L N 3.582 124.955 121.223 0.250 0.000 2.278 27 L HA 0.281 4.620 4.340 -0.002 0.000 0.287 27 L C -0.596 176.337 176.870 0.106 0.000 1.072 27 L CA -0.210 54.759 54.840 0.215 0.000 0.819 27 L CB 0.563 42.778 42.059 0.260 0.000 1.176 27 L HN 0.598 nan 8.230 nan 0.000 0.435 28 N N 2.999 121.747 118.700 0.081 0.000 2.443 28 N HA 0.521 5.260 4.740 -0.002 0.000 0.269 28 N C 0.309 175.849 175.510 0.051 0.000 0.985 28 N CA 0.508 53.596 53.050 0.063 0.000 0.921 28 N CB 1.551 40.080 38.487 0.070 0.000 1.195 28 N HN 0.743 nan 8.380 nan 0.000 0.492 29 G N 1.784 110.609 108.800 0.042 0.000 2.184 29 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.206 29 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.206 29 G C 1.043 175.957 174.900 0.023 0.000 0.995 29 G CA 0.240 45.360 45.100 0.033 0.000 0.651 29 G HN 0.866 nan 8.290 nan 0.000 0.511 30 G N 0.359 109.176 108.800 0.028 0.000 2.547 30 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.221 30 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.221 30 G C 1.142 176.051 174.900 0.015 0.000 1.140 30 G CA 1.631 46.746 45.100 0.025 0.000 0.760 30 G HN 0.602 nan 8.290 nan 0.000 0.583 31 E N -0.480 119.729 120.200 0.015 0.000 2.479 31 E HA 0.120 4.469 4.350 -0.002 0.000 0.193 31 E C 1.887 178.488 176.600 0.002 0.000 1.049 31 E CA 0.003 56.407 56.400 0.007 0.000 0.870 31 E CB 0.206 29.912 29.700 0.009 0.000 0.944 31 E HN 0.605 nan 8.360 nan 0.000 0.492 32 E N -0.557 119.645 120.200 0.004 0.000 2.399 32 E HA 0.191 4.540 4.350 -0.002 0.000 0.206 32 E C 0.282 176.880 176.600 -0.003 0.000 0.812 32 E CA -0.031 56.371 56.400 0.003 0.000 1.138 32 E CB 0.660 30.368 29.700 0.013 0.000 1.140 32 E HN 0.069 nan 8.360 nan 0.000 0.536 33 A N 1.942 124.760 122.820 -0.003 0.000 2.366 33 A HA 0.122 4.441 4.320 -0.002 0.000 0.249 33 A C 0.312 177.876 177.584 -0.032 0.000 1.084 33 A CA -0.414 51.619 52.037 -0.008 0.000 0.794 33 A CB 0.124 19.122 19.000 -0.004 0.000 1.034 33 A HN 0.107 nan 8.150 nan 0.000 0.491 34 N N 1.061 119.736 118.700 -0.041 0.000 2.236 34 N HA -0.023 4.715 4.740 -0.002 0.000 0.274 34 N C -1.760 173.685 175.510 -0.109 0.000 1.339 34 N CA -1.054 51.938 53.050 -0.098 0.000 0.845 34 N CB 0.558 39.012 38.487 -0.055 0.000 1.091 34 N HN 0.193 nan 8.380 nan 0.000 0.489 35 P HA -0.111 nan 4.420 nan 0.000 0.218 35 P C 0.369 177.657 177.300 -0.020 0.000 1.148 35 P CA 1.501 64.529 63.100 -0.119 0.000 0.822 35 P CB 0.015 31.626 31.700 -0.148 0.000 0.784 36 H N -0.965 118.132 119.070 0.045 0.000 2.457 36 H HA 0.075 4.630 4.556 -0.002 0.000 0.294 36 H C 1.986 177.476 175.328 0.270 0.000 1.064 36 H CA 0.712 56.821 56.048 0.102 0.000 1.330 36 H CB -0.309 29.421 29.762 -0.054 0.000 1.395 36 H HN 0.101 nan 8.280 nan 0.000 0.541 37 A N 0.774 123.777 122.820 0.304 0.000 1.929 37 A HA -0.072 4.247 4.320 -0.002 0.000 0.216 37 A C 2.450 180.069 177.584 0.059 0.000 1.176 37 A CA 1.166 53.308 52.037 0.175 0.000 0.628 37 A CB -0.512 18.543 19.000 0.091 0.000 0.816 37 A HN 0.220 nan 8.150 nan 0.000 0.444 38 V N 0.458 120.399 119.914 0.044 0.000 2.591 38 V HA -0.182 3.937 4.120 -0.002 0.000 0.249 38 V C 2.457 178.570 176.094 0.031 0.000 1.053 38 V CA 2.085 64.394 62.300 0.014 0.000 1.068 38 V CB -0.606 31.222 31.823 0.008 0.000 0.689 38 V HN 0.727 nan 8.190 nan 0.000 0.462 39 K N 0.380 120.819 120.400 0.065 0.000 2.148 39 K HA -0.111 4.208 4.320 -0.002 0.000 0.204 39 K C 2.006 178.645 176.600 0.064 0.000 1.050 39 K CA 1.290 57.619 56.287 0.071 0.000 0.942 39 K CB -0.062 32.496 32.500 0.096 0.000 0.724 39 K HN 0.316 nan 8.250 nan 0.000 0.446 40 V N 1.671 121.628 119.914 0.072 0.000 2.358 40 V HA -0.223 3.896 4.120 -0.002 0.000 0.246 40 V C 2.276 178.376 176.094 0.011 0.000 1.047 40 V CA 1.348 63.667 62.300 0.031 0.000 1.035 40 V CB -0.388 31.423 31.823 -0.020 0.000 0.658 40 V HN 0.353 nan 8.190 nan 0.000 0.452 41 L N 0.199 121.417 121.223 -0.009 0.000 2.046 41 L HA -0.136 4.202 4.340 -0.002 0.000 0.208 41 L C 2.353 179.203 176.870 -0.033 0.000 1.077 41 L CA 1.941 56.758 54.840 -0.038 0.000 0.747 41 L CB -0.690 41.302 42.059 -0.111 0.000 0.896 41 L HN 0.217 nan 8.230 nan 0.000 0.432 42 K N -0.686 119.708 120.400 -0.009 0.000 2.155 42 K HA -0.143 4.175 4.320 -0.002 0.000 0.203 42 K C 1.967 178.580 176.600 0.021 0.000 1.052 42 K CA 1.309 57.604 56.287 0.014 0.000 0.948 42 K CB -0.078 32.447 32.500 0.041 0.000 0.728 42 K HN 0.455 nan 8.250 nan 0.000 0.448 43 E N 1.039 121.252 120.200 0.021 0.000 2.051 43 E HA -0.148 4.201 4.350 -0.002 0.000 0.192 43 E C 1.914 178.520 176.600 0.011 0.000 0.991 43 E CA 0.999 57.410 56.400 0.018 0.000 0.799 43 E CB -0.038 29.673 29.700 0.019 0.000 0.748 43 E HN 0.208 nan 8.360 nan 0.000 0.449 44 L N 0.925 122.156 121.223 0.013 0.000 2.362 44 L HA 0.019 4.358 4.340 -0.002 0.000 0.219 44 L C 1.205 178.076 176.870 0.002 0.000 1.134 44 L CA 0.316 55.164 54.840 0.012 0.000 0.807 44 L CB -0.322 41.774 42.059 0.062 0.000 0.927 44 L HN 0.206 nan 8.230 nan 0.000 0.447 55 M N 0.697 120.356 119.600 0.097 0.000 2.363 55 M HA 0.827 5.306 4.480 -0.002 0.000 0.343 55 M C -0.875 175.499 176.300 0.124 0.000 1.165 55 M CA -0.766 54.594 55.300 0.100 0.000 1.046 55 M CB 1.813 34.471 32.600 0.096 0.000 1.648 55 M HN 0.507 nan 8.290 nan 0.000 0.452 56 L N 5.486 126.767 121.223 0.096 0.000 2.360 56 L HA 0.459 4.797 4.340 -0.002 0.000 0.276 56 L C -1.242 175.674 176.870 0.077 0.000 1.121 56 L CA 0.431 55.329 54.840 0.096 0.000 0.845 56 L CB 0.258 42.371 42.059 0.090 0.000 1.143 56 L HN 0.724 nan 8.230 nan 0.000 0.452 57 I N 4.145 124.759 120.570 0.072 0.000 2.406 57 I HA 0.353 4.522 4.170 -0.002 0.000 0.290 57 I C -0.186 175.934 176.117 0.005 0.000 0.999 57 I CA -0.225 61.066 61.300 -0.014 0.000 1.124 57 I CB 1.583 39.524 38.000 -0.099 0.000 1.289 57 I HN 0.506 nan 8.210 nan 0.000 0.441 58 S N 7.036 122.728 115.700 -0.012 0.000 2.449 58 S HA 0.655 5.124 4.470 -0.002 0.000 0.310 58 S C -0.555 174.035 174.600 -0.016 0.000 1.096 58 S CA -0.510 57.712 58.200 0.038 0.000 1.095 58 S CB 1.490 64.779 63.200 0.149 0.000 1.007 58 S HN 0.504 nan 8.310 nan 0.000 0.474 59 I N 2.561 123.132 120.570 0.002 0.000 2.533 59 I HA 0.797 4.966 4.170 -0.002 0.000 0.290 59 I C -0.139 175.990 176.117 0.020 0.000 1.056 59 I CA 0.112 61.398 61.300 -0.023 0.000 1.057 59 I CB 1.515 39.477 38.000 -0.064 0.000 1.240 59 I HN 0.819 nan 8.210 nan 0.000 0.423 60 G N 5.177 113.996 108.800 0.032 0.000 2.322 60 G HA2 0.310 4.269 3.960 -0.002 0.000 0.295 60 G HA3 0.310 4.269 3.960 -0.002 0.000 0.295 60 G C -2.059 172.880 174.900 0.065 0.000 1.369 60 G CA -0.743 44.385 45.100 0.047 0.000 0.821 60 G HN 0.506 nan 8.290 nan 0.000 0.536 61 E N 0.236 120.472 120.200 0.059 0.000 2.222 61 E HA 0.514 4.863 4.350 -0.002 0.000 0.272 61 E C 0.067 176.710 176.600 0.073 0.000 0.982 61 E CA -0.847 55.595 56.400 0.069 0.000 0.842 61 E CB 1.673 31.403 29.700 0.049 0.000 1.144 61 E HN 0.584 nan 8.360 nan 0.000 0.397 62 K N 0.835 121.283 120.400 0.080 0.000 2.473 62 K HA 0.045 4.364 4.320 -0.002 0.000 0.277 62 K C 0.743 177.369 176.600 0.045 0.000 1.052 62 K CA 1.411 57.737 56.287 0.066 0.000 1.114 62 K CB -0.353 32.184 32.500 0.060 0.000 0.869 62 K HN 0.718 nan 8.250 nan 0.000 0.481 63 G N 3.220 112.043 108.800 0.038 0.000 2.284 63 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.216 63 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.216 63 G C -0.383 174.532 174.900 0.025 0.000 1.009 63 G CA -0.039 45.076 45.100 0.025 0.000 0.625 63 G HN 0.680 nan 8.290 nan 0.000 0.501 64 D N 0.893 121.314 120.400 0.034 0.000 2.399 64 D HA 0.406 5.045 4.640 -0.002 0.000 0.241 64 D C 1.557 177.878 176.300 0.035 0.000 1.133 64 D CA -0.077 53.942 54.000 0.033 0.000 0.890 64 D CB 0.922 41.746 40.800 0.040 0.000 1.201 64 D HN 0.326 nan 8.370 nan 0.000 0.432 65 K N 0.447 120.863 120.400 0.026 0.000 2.103 65 K HA -0.153 4.166 4.320 -0.002 0.000 0.207 65 K C 1.885 178.504 176.600 0.033 0.000 1.048 65 K CA 1.462 57.763 56.287 0.022 0.000 0.930 65 K CB -0.049 32.461 32.500 0.017 0.000 0.716 65 K HN 0.412 nan 8.250 nan 0.000 0.444 66 S N 0.395 116.125 115.700 0.050 0.000 2.453 66 S HA -0.067 4.402 4.470 -0.002 0.000 0.231 66 S C 1.837 176.512 174.600 0.125 0.000 1.005 66 S CA 0.982 59.226 58.200 0.073 0.000 0.949 66 S CB -0.204 63.036 63.200 0.068 0.000 0.774 66 S HN 0.186 nan 8.310 nan 0.000 0.510 67 V N -2.125 117.871 119.914 0.136 0.000 3.528 67 V HA 0.415 4.534 4.120 -0.002 0.000 0.294 67 V C 1.870 178.051 176.094 0.145 0.000 1.404 67 V CA -0.442 62.004 62.300 0.244 0.000 1.065 67 V CB -0.702 31.265 31.823 0.240 0.000 0.904 67 V HN 0.177 nan 8.190 nan 0.000 0.435 68 R N 1.500 122.026 120.500 0.044 0.000 2.134 68 R HA -0.243 4.096 4.340 -0.002 0.000 0.248 68 R C 2.273 178.514 176.300 -0.098 0.000 1.143 68 R CA 2.367 58.459 56.100 -0.014 0.000 0.957 68 R CB -0.500 29.786 30.300 -0.024 0.000 0.867 68 R HN 0.556 nan 8.270 nan 0.000 0.441 69 K N -0.230 120.028 120.400 -0.236 0.000 2.362 69 K HA -0.200 4.119 4.320 -0.002 0.000 0.202 69 K C 0.512 176.771 176.600 -0.568 0.000 1.045 69 K CA 1.464 57.459 56.287 -0.486 0.000 0.936 69 K CB 0.101 32.140 32.500 -0.768 0.000 0.747 69 K HN 0.282 nan 8.250 nan 0.000 0.467 70 Y N -1.039 119.257 120.300 -0.005 0.000 2.500 70 Y HA 0.112 4.661 4.550 -0.002 0.000 0.246 70 Y C 1.943 177.794 175.900 -0.082 0.000 1.146 70 Y CA 0.060 58.129 58.100 -0.052 0.000 1.230 70 Y CB 0.393 38.869 38.460 0.027 0.000 1.214 70 Y HN 0.089 nan 8.280 nan 0.000 0.526 71 S N 0.100 115.834 115.700 0.057 0.000 2.420 71 S HA -0.253 4.216 4.470 -0.002 0.000 0.237 71 S C 1.893 176.489 174.600 -0.006 0.000 1.023 71 S CA 1.254 59.475 58.200 0.035 0.000 0.991 71 S CB -0.265 62.946 63.200 0.018 0.000 0.792 71 S HN 0.447 nan 8.310 nan 0.000 0.488 72 R N 0.664 121.143 120.500 -0.035 0.000 2.189 72 R HA 0.102 4.441 4.340 -0.002 0.000 0.218 72 R C 2.476 178.719 176.300 -0.094 0.000 1.074 72 R CA 1.064 57.132 56.100 -0.054 0.000 0.991 72 R CB -0.079 30.190 30.300 -0.052 0.000 0.883 72 R HN 0.526 nan 8.270 nan 0.000 0.457 73 Q N 0.178 119.870 119.800 -0.180 0.000 2.212 73 Q HA 0.044 4.382 4.340 -0.002 0.000 0.199 73 Q C 0.591 176.476 176.000 -0.192 0.000 0.950 73 Q CA 0.544 56.113 55.803 -0.391 0.000 0.863 73 Q CB 0.245 28.285 28.738 -1.163 0.000 0.944 73 Q HN 0.337 nan 8.270 nan 0.000 0.465 74 I N 4.172 124.715 120.570 -0.045 0.000 2.581 74 I HA 0.009 4.178 4.170 -0.002 0.000 0.285 74 I C -2.055 174.111 176.117 0.083 0.000 1.129 74 I CA -1.575 59.784 61.300 0.099 0.000 1.397 74 I CB 0.013 38.087 38.000 0.124 0.000 1.399 74 I HN -0.152 nan 8.210 nan 0.000 0.537 75 P HA -0.039 nan 4.420 nan 0.000 0.266 75 P C -0.407 176.947 177.300 0.090 0.000 1.195 75 P CA -0.099 63.085 63.100 0.140 0.000 0.768 75 P CB 0.438 32.286 31.700 0.246 0.000 0.838 76 D N 2.829 123.213 120.400 -0.027 0.000 2.801 76 D HA 0.041 4.680 4.640 -0.002 0.000 0.232 76 D C -0.545 175.466 176.300 -0.481 0.000 1.128 76 D CA 0.215 54.103 54.000 -0.187 0.000 1.003 76 D CB -0.758 39.914 40.800 -0.214 0.000 1.110 76 D HN 0.319 nan 8.370 nan 0.000 0.477 77 H N 0.542 119.510 119.070 -0.171 0.000 2.894 77 H HA 0.221 4.776 4.556 -0.002 0.000 0.367 77 H C -0.022 175.268 175.328 -0.063 0.000 1.144 77 H CA -0.935 54.993 56.048 -0.200 0.000 1.180 77 H CB 1.582 31.095 29.762 -0.415 0.000 1.758 77 H HN 0.140 nan 8.280 nan 0.000 0.541 78 K N 1.113 121.544 120.400 0.053 0.000 2.382 78 K HA 0.100 4.418 4.320 -0.002 0.000 0.275 78 K C -0.038 176.649 176.600 0.145 0.000 1.009 78 K CA -0.166 56.168 56.287 0.079 0.000 0.970 78 K CB 0.946 33.474 32.500 0.048 0.000 0.934 78 K HN 0.715 nan 8.250 nan 0.000 0.479 79 E N -0.984 119.333 120.200 0.195 0.000 3.496 79 E HA -0.184 4.164 4.350 -0.002 0.000 0.300 79 E C 0.295 177.182 176.600 0.479 0.000 0.877 79 E CA 0.719 57.321 56.400 0.337 0.000 1.050 79 E CB -1.601 28.370 29.700 0.451 0.000 1.532 79 E HN 0.872 nan 8.360 nan 0.000 0.447 80 G N 0.032 109.046 108.800 0.358 0.000 2.504 80 G HA2 0.530 4.489 3.960 -0.002 0.000 0.288 80 G HA3 0.530 4.489 3.960 -0.002 0.000 0.288 80 G C -0.463 174.711 174.900 0.457 0.000 1.182 80 G CA 0.096 45.424 45.100 0.381 0.000 0.894 80 G HN 0.260 nan 8.290 nan 0.000 0.521 81 Y N -1.525 118.958 120.300 0.305 0.000 2.624 81 Y HA 0.635 5.184 4.550 -0.002 0.000 0.334 81 Y C -1.937 174.126 175.900 0.273 0.000 1.155 81 Y CA -2.049 56.204 58.100 0.255 0.000 1.046 81 Y CB 1.375 39.967 38.460 0.220 0.000 1.316 81 Y HN 0.671 nan 8.280 nan 0.000 0.457 82 Y N 3.640 124.055 120.300 0.191 0.000 2.393 82 Y HA 0.759 5.307 4.550 -0.002 0.000 0.341 82 Y C -1.858 174.153 175.900 0.186 0.000 0.988 82 Y CA -1.752 56.406 58.100 0.096 0.000 1.078 82 Y CB 1.799 40.291 38.460 0.053 0.000 1.203 82 Y HN 0.974 nan 8.280 nan 0.000 0.453 83 L N 5.490 126.477 121.223 -0.394 0.000 2.409 83 L HA 0.701 5.040 4.340 -0.002 0.000 0.272 83 L C -1.347 175.139 176.870 -0.641 0.000 0.980 83 L CA -0.271 54.356 54.840 -0.353 0.000 0.826 83 L CB 1.784 43.877 42.059 0.057 0.000 1.268 83 L HN 0.678 nan 8.230 nan 0.000 0.407 84 S N 3.281 118.637 115.700 -0.573 0.000 2.538 84 S HA 0.811 5.280 4.470 -0.002 0.000 0.288 84 S C -1.381 173.124 174.600 -0.158 0.000 1.108 84 S CA -0.448 57.525 58.200 -0.379 0.000 0.971 84 S CB 1.830 64.796 63.200 -0.389 0.000 1.041 84 S HN 0.414 nan 8.310 nan 0.000 0.483 85 V N 5.630 125.508 119.914 -0.061 0.000 2.525 85 V HA 0.596 4.715 4.120 -0.002 0.000 0.299 85 V C -0.537 175.565 176.094 0.013 0.000 1.034 85 V CA -0.725 61.579 62.300 0.006 0.000 0.863 85 V CB 1.469 33.327 31.823 0.058 0.000 0.999 85 V HN 0.997 nan 8.190 nan 0.000 0.423 86 N N 2.629 121.343 118.700 0.024 0.000 3.418 86 N HA 0.365 5.104 4.740 -0.002 0.000 0.316 86 N C 0.623 176.156 175.510 0.038 0.000 1.601 86 N CA -0.759 52.310 53.050 0.032 0.000 0.805 86 N CB 0.594 39.105 38.487 0.039 0.000 1.873 86 N HN 0.137 nan 8.380 nan 0.000 0.615 87 E N 0.278 120.501 120.200 0.038 0.000 2.114 87 E HA -0.258 4.091 4.350 -0.002 0.000 0.199 87 E C 1.047 177.674 176.600 0.044 0.000 1.008 87 E CA 2.288 58.710 56.400 0.038 0.000 0.810 87 E CB -0.259 29.462 29.700 0.036 0.000 0.739 87 E HN 0.833 nan 8.360 nan 0.000 0.456 88 K N 0.436 120.867 120.400 0.051 0.000 2.335 88 K HA 0.092 4.411 4.320 -0.002 0.000 0.195 88 K C 1.072 177.710 176.600 0.064 0.000 1.058 88 K CA 0.253 56.574 56.287 0.057 0.000 0.988 88 K CB 0.745 33.281 32.500 0.060 0.000 0.880 88 K HN 0.100 nan 8.250 nan 0.000 0.513 89 E N 0.740 120.978 120.200 0.062 0.000 2.423 89 E HA 0.324 4.673 4.350 -0.002 0.000 0.280 89 E C -1.546 175.066 176.600 0.021 0.000 1.030 89 E CA -0.888 55.547 56.400 0.057 0.000 0.812 89 E CB 1.432 31.187 29.700 0.091 0.000 1.313 89 E HN 0.114 nan 8.360 nan 0.000 0.456 90 I N 1.495 122.056 120.570 -0.015 0.000 2.465 90 I HA 0.368 4.537 4.170 -0.002 0.000 0.291 90 I C -0.813 175.208 176.117 -0.160 0.000 1.014 90 I CA -1.177 60.072 61.300 -0.084 0.000 1.093 90 I CB 2.113 40.057 38.000 -0.092 0.000 1.267 90 I HN 0.296 nan 8.210 nan 0.000 0.431 91 V N 7.493 127.259 119.914 -0.246 0.000 2.409 91 V HA 0.450 4.569 4.120 -0.002 0.000 0.291 91 V C -0.324 175.595 176.094 -0.291 0.000 1.020 91 V CA -0.467 61.644 62.300 -0.315 0.000 0.848 91 V CB 1.717 33.209 31.823 -0.551 0.000 0.990 91 V HN 0.454 nan 8.190 nan 0.000 0.430 92 L N 4.978 126.072 121.223 -0.215 0.000 2.401 92 L HA 0.824 5.163 4.340 -0.002 0.000 0.263 92 L C -0.016 176.828 176.870 -0.043 0.000 1.004 92 L CA -0.251 54.485 54.840 -0.173 0.000 0.881 92 L CB 1.520 43.403 42.059 -0.292 0.000 1.219 92 L HN 0.711 nan 8.230 nan 0.000 0.441 93 A N 2.127 124.986 122.820 0.066 0.000 2.411 93 A HA 0.826 5.145 4.320 -0.002 0.000 0.285 93 A C -0.027 177.692 177.584 0.224 0.000 1.129 93 A CA -0.341 51.785 52.037 0.149 0.000 0.736 93 A CB 1.209 20.336 19.000 0.212 0.000 1.186 93 A HN 0.608 nan 8.150 nan 0.000 0.445 94 G N 0.503 109.413 108.800 0.182 0.000 2.434 94 G HA2 0.402 4.361 3.960 -0.002 0.000 0.330 94 G HA3 0.402 4.361 3.960 -0.002 0.000 0.330 94 G C 0.529 175.537 174.900 0.181 0.000 1.155 94 G CA -0.411 44.824 45.100 0.225 0.000 0.917 94 G HN 0.640 nan 8.290 nan 0.000 0.493 95 N N -0.512 118.305 118.700 0.194 0.000 2.270 95 N HA -0.017 4.722 4.740 -0.002 0.000 0.181 95 N C 0.192 175.762 175.510 0.100 0.000 1.016 95 N CA 1.483 54.615 53.050 0.135 0.000 0.870 95 N CB 0.134 38.701 38.487 0.133 0.000 0.979 95 N HN 0.707 nan 8.380 nan 0.000 0.431 96 D N -2.497 117.966 120.400 0.106 0.000 2.652 96 D HA 0.205 4.844 4.640 -0.002 0.000 0.285 96 D C 0.300 176.635 176.300 0.058 0.000 1.173 96 D CA -0.633 53.409 54.000 0.070 0.000 0.981 96 D CB 0.289 41.127 40.800 0.063 0.000 1.440 96 D HN -0.109 nan 8.370 nan 0.000 0.485 97 E N -0.720 119.496 120.200 0.027 0.000 2.160 97 E HA -0.202 4.147 4.350 -0.002 0.000 0.195 97 E C 1.709 178.302 176.600 -0.012 0.000 0.991 97 E CA 0.780 57.182 56.400 0.003 0.000 0.810 97 E CB 0.069 29.755 29.700 -0.024 0.000 0.742 97 E HN 0.349 nan 8.360 nan 0.000 0.466 98 R N 0.269 120.742 120.500 -0.046 0.000 2.115 98 R HA -0.080 4.259 4.340 -0.002 0.000 0.230 98 R C 2.310 178.454 176.300 -0.261 0.000 1.111 98 R CA 1.227 57.209 56.100 -0.197 0.000 0.976 98 R CB -0.203 29.974 30.300 -0.206 0.000 0.870 98 R HN 0.161 nan 8.270 nan 0.000 0.445 99 G N -0.933 107.872 108.800 0.008 0.000 2.421 99 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.217 99 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.217 99 G C 1.203 176.199 174.900 0.160 0.000 1.143 99 G CA 1.002 46.233 45.100 0.219 0.000 0.784 99 G HN 0.315 nan 8.290 nan 0.000 0.541 100 T N -0.183 114.421 114.554 0.084 0.000 2.821 100 T HA -0.129 4.219 4.350 -0.002 0.000 0.267 100 T C 1.939 176.637 174.700 -0.005 0.000 1.046 100 T CA 1.078 63.199 62.100 0.035 0.000 1.139 100 T CB -0.269 68.620 68.868 0.035 0.000 0.871 100 T HN 0.343 nan 8.240 nan 0.000 0.454 101 Y N 0.951 121.188 120.300 -0.105 0.000 2.163 101 Y HA -0.174 4.374 4.550 -0.002 0.000 0.288 101 Y C 2.095 177.990 175.900 -0.008 0.000 1.136 101 Y CA 1.059 59.114 58.100 -0.076 0.000 1.147 101 Y CB -0.474 37.920 38.460 -0.109 0.000 0.987 101 Y HN 0.147 nan 8.280 nan 0.000 0.509 102 Y N -0.157 120.107 120.300 -0.060 0.000 2.256 102 Y HA -0.179 4.370 4.550 -0.002 0.000 0.288 102 Y C 2.651 178.100 175.900 -0.751 0.000 1.155 102 Y CA 0.540 58.468 58.100 -0.287 0.000 1.203 102 Y CB -1.562 36.904 38.460 0.010 0.000 0.980 102 Y HN 0.269 nan 8.280 nan 0.000 0.530 103 A N -0.299 122.087 122.820 -0.723 0.000 1.902 103 A HA -0.137 4.181 4.320 -0.002 0.000 0.217 103 A C 2.302 179.626 177.584 -0.434 0.000 1.181 103 A CA 1.451 52.906 52.037 -0.969 0.000 0.623 103 A CB -1.006 17.712 19.000 -0.471 0.000 0.818 103 A HN 0.384 nan 8.150 nan 0.000 0.443 104 L N -0.597 120.439 121.223 -0.313 0.000 2.109 104 L HA -0.160 4.178 4.340 -0.002 0.000 0.207 104 L C 2.721 179.480 176.870 -0.184 0.000 1.086 104 L CA 1.152 55.876 54.840 -0.194 0.000 0.760 104 L CB -0.336 41.596 42.059 -0.212 0.000 0.910 104 L HN 0.292 nan 8.230 nan 0.000 0.437 105 Q N -0.682 118.927 119.800 -0.319 0.000 2.061 105 Q HA -0.181 4.158 4.340 -0.002 0.000 0.204 105 Q C 2.295 178.163 176.000 -0.219 0.000 0.984 105 Q CA 2.169 57.800 55.803 -0.287 0.000 0.846 105 Q CB -0.967 27.578 28.738 -0.321 0.000 0.902 105 Q HN 0.435 nan 8.270 nan 0.000 0.421 106 T N 1.149 115.564 114.554 -0.232 0.000 2.746 106 T HA -0.124 4.225 4.350 -0.002 0.000 0.267 106 T C 1.468 176.139 174.700 -0.047 0.000 1.039 106 T CA 1.073 63.092 62.100 -0.134 0.000 1.142 106 T CB -0.407 68.421 68.868 -0.066 0.000 0.866 106 T HN 0.235 nan 8.240 nan 0.000 0.444 107 F N 2.074 121.913 119.950 -0.185 0.000 2.171 107 F HA 0.019 4.545 4.527 -0.002 0.000 0.300 107 F C 2.327 178.050 175.800 -0.129 0.000 1.090 107 F CA 0.855 58.767 58.000 -0.146 0.000 1.293 107 F CB -0.452 38.452 39.000 -0.161 0.000 1.013 107 F HN 0.138 nan 8.300 nan 0.000 0.486 108 A N -0.582 122.160 122.820 -0.131 0.000 2.066 108 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 108 A C 2.062 179.525 177.584 -0.201 0.000 1.157 108 A CA 1.228 53.145 52.037 -0.200 0.000 0.670 108 A CB -0.547 18.389 19.000 -0.108 0.000 0.804 108 A HN 0.577 nan 8.150 nan 0.000 0.453 109 Q N -0.585 119.113 119.800 -0.170 0.000 2.269 109 Q HA 0.115 4.454 4.340 -0.002 0.000 0.201 109 Q C 1.774 177.684 176.000 -0.150 0.000 0.946 109 Q CA 0.666 56.388 55.803 -0.136 0.000 0.877 109 Q CB -0.140 28.532 28.738 -0.110 0.000 0.963 109 Q HN 0.668 nan 8.270 nan 0.000 0.472 110 L N 0.384 121.488 121.223 -0.199 0.000 2.093 110 L HA -0.076 4.263 4.340 -0.002 0.000 0.208 110 L C 0.951 177.679 176.870 -0.237 0.000 1.085 110 L CA 0.135 54.857 54.840 -0.197 0.000 0.755 110 L CB -0.189 41.749 42.059 -0.201 0.000 0.904 110 L HN 0.219 nan 8.230 nan 0.000 0.435 111 L N 1.744 122.760 121.223 -0.345 0.000 2.433 111 L HA 0.216 4.555 4.340 -0.002 0.000 0.284 111 L C -0.444 176.308 176.870 -0.197 0.000 1.120 111 L CA 0.595 55.240 54.840 -0.325 0.000 0.879 111 L CB -0.340 41.438 42.059 -0.469 0.000 1.232 111 L HN -0.074 nan 8.230 nan 0.000 0.454 112 K N 4.164 124.479 120.400 -0.142 0.000 2.507 112 K HA 0.345 4.664 4.320 -0.002 0.000 0.252 112 K C -0.595 175.959 176.600 -0.077 0.000 0.943 112 K CA -0.512 55.716 56.287 -0.098 0.000 0.808 112 K CB 1.715 34.168 32.500 -0.079 0.000 1.142 112 K HN 0.523 nan 8.250 nan 0.000 0.426 113 D N 1.168 121.529 120.400 -0.064 0.000 3.091 113 D HA -0.135 4.504 4.640 -0.002 0.000 0.216 113 D C 0.616 176.889 176.300 -0.046 0.000 1.129 113 D CA 1.788 55.760 54.000 -0.048 0.000 0.913 113 D CB -1.029 39.748 40.800 -0.039 0.000 1.101 113 D HN 1.010 nan 8.370 nan 0.000 0.426 114 G N -0.431 108.334 108.800 -0.058 0.000 2.160 114 G HA2 -0.351 3.607 3.960 -0.002 0.000 0.251 114 G HA3 -0.351 3.607 3.960 -0.002 0.000 0.251 114 G C 0.113 174.982 174.900 -0.051 0.000 1.008 114 G CA 0.771 45.841 45.100 -0.050 0.000 0.724 114 G HN 0.484 nan 8.290 nan 0.000 0.514 115 K N -0.832 119.526 120.400 -0.070 0.000 2.464 115 K HA 0.762 5.080 4.320 -0.002 0.000 0.253 115 K C -0.512 176.032 176.600 -0.094 0.000 0.933 115 K CA -0.854 55.395 56.287 -0.062 0.000 0.801 115 K CB 2.316 34.789 32.500 -0.046 0.000 1.271 115 K HN 0.096 nan 8.250 nan 0.000 0.430 116 L N 3.002 124.178 121.223 -0.078 0.000 2.354 116 L HA 0.574 4.913 4.340 -0.002 0.000 0.269 116 L C -2.391 174.449 176.870 -0.050 0.000 1.005 116 L CA -2.097 52.687 54.840 -0.093 0.000 0.819 116 L CB 2.312 44.319 42.059 -0.087 0.000 1.311 116 L HN 0.446 nan 8.230 nan 0.000 0.423 117 P HA 0.136 nan 4.420 nan 0.000 0.284 117 P C -1.158 176.136 177.300 -0.010 0.000 1.258 117 P CA -0.604 62.481 63.100 -0.025 0.000 0.824 117 P CB 0.952 32.635 31.700 -0.028 0.000 1.038 118 E N 1.064 121.263 120.200 -0.001 0.000 2.265 118 E HA 0.299 4.648 4.350 -0.002 0.000 0.272 118 E C -0.402 176.201 176.600 0.005 0.000 1.067 118 E CA -0.309 56.095 56.400 0.007 0.000 0.900 118 E CB 0.026 29.734 29.700 0.012 0.000 1.017 118 E HN 0.270 nan 8.360 nan 0.000 0.431 119 V N 1.002 120.917 119.914 0.002 0.000 3.114 119 V HA 0.627 4.746 4.120 -0.002 0.000 0.308 119 V C -0.858 175.224 176.094 -0.019 0.000 1.168 119 V CA -1.101 61.198 62.300 -0.003 0.000 1.015 119 V CB 1.934 33.755 31.823 -0.004 0.000 1.050 119 V HN 0.700 nan 8.190 nan 0.000 0.433 120 E N 1.277 121.470 120.200 -0.011 0.000 2.256 120 E HA 0.784 5.133 4.350 -0.002 0.000 0.268 120 E C -1.810 174.783 176.600 -0.012 0.000 0.877 120 E CA -0.678 55.705 56.400 -0.029 0.000 0.757 120 E CB 2.204 31.938 29.700 0.057 0.000 1.183 120 E HN 0.817 nan 8.360 nan 0.000 0.418 121 I N 3.691 124.227 120.570 -0.056 0.000 2.569 121 I HA 0.370 4.539 4.170 -0.002 0.000 0.290 121 I C -0.856 175.250 176.117 -0.018 0.000 1.088 121 I CA -0.827 60.459 61.300 -0.023 0.000 1.047 121 I CB 2.122 40.131 38.000 0.014 0.000 1.237 121 I HN 0.337 nan 8.210 nan 0.000 0.421 122 K N 4.143 124.535 120.400 -0.013 0.000 2.358 122 K HA 0.573 4.892 4.320 -0.002 0.000 0.260 122 K C -1.438 175.051 176.600 -0.185 0.000 0.956 122 K CA -0.666 55.607 56.287 -0.024 0.000 0.834 122 K CB 1.945 34.506 32.500 0.100 0.000 1.102 122 K HN 0.376 nan 8.250 nan 0.000 0.431 123 D N 1.620 121.804 120.400 -0.360 0.000 2.596 123 D HA 0.524 5.162 4.640 -0.002 0.000 0.234 123 D C -1.749 174.450 176.300 -0.169 0.000 1.181 123 D CA -0.249 53.508 54.000 -0.406 0.000 0.856 123 D CB 1.256 41.750 40.800 -0.510 0.000 1.498 123 D HN 0.392 nan 8.370 nan 0.000 0.446 124 Y N -1.802 118.345 120.300 -0.255 0.000 2.765 124 Y HA 0.507 5.056 4.550 -0.003 0.000 0.350 124 Y C -3.171 171.949 175.900 -1.301 0.000 1.196 124 Y CA -1.727 56.055 58.100 -0.529 0.000 1.119 124 Y CB 0.499 38.702 38.460 -0.427 0.000 1.368 124 Y HN 0.082 nan 8.280 nan 0.000 0.463 125 P HA 0.316 nan 4.420 nan 0.000 0.284 125 P C -0.275 176.695 177.300 -0.551 0.000 1.258 125 P CA -0.315 61.980 63.100 -1.343 0.000 0.824 125 P CB 2.248 33.441 31.700 -0.845 0.000 1.038 126 S N 0.218 115.628 115.700 -0.483 0.000 2.446 126 S HA 0.063 4.532 4.470 -0.002 0.000 0.225 126 S C 0.905 175.380 174.600 -0.209 0.000 1.016 126 S CA 0.365 58.406 58.200 -0.264 0.000 0.943 126 S CB -0.009 63.026 63.200 -0.275 0.000 0.786 126 S HN 0.326 nan 8.310 nan 0.000 0.508 127 V N 2.015 121.794 119.914 -0.225 0.000 2.459 127 V HA 0.379 4.498 4.120 -0.002 0.000 0.295 127 V C 1.114 177.114 176.094 -0.156 0.000 1.029 127 V CA -0.784 61.419 62.300 -0.163 0.000 0.874 127 V CB 1.816 33.557 31.823 -0.136 0.000 0.985 127 V HN 0.143 nan 8.190 nan 0.000 0.438 128 R N 2.420 122.792 120.500 -0.213 0.000 2.066 128 R HA -0.041 4.298 4.340 -0.002 0.000 0.232 128 R C -0.371 175.704 176.300 -0.374 0.000 1.131 128 R CA 1.407 57.285 56.100 -0.369 0.000 0.955 128 R CB 0.092 30.027 30.300 -0.610 0.000 0.851 128 R HN 0.626 nan 8.270 nan 0.000 0.432 129 Y N 0.137 120.436 120.300 -0.002 0.000 2.335 129 Y HA 0.439 4.987 4.550 -0.003 0.000 0.338 129 Y C -0.531 175.363 175.900 -0.011 0.000 0.977 129 Y CA -0.852 57.257 58.100 0.015 0.000 1.114 129 Y CB 1.630 40.087 38.460 -0.005 0.000 1.182 129 Y HN -0.104 nan 8.280 nan 0.000 0.463 130 R N 1.881 122.533 120.500 0.253 0.000 2.515 130 R HA 0.741 5.080 4.340 -0.002 0.000 0.291 130 R C -0.132 176.259 176.300 0.151 0.000 1.046 130 R CA -0.619 55.592 56.100 0.185 0.000 0.914 130 R CB 2.041 32.440 30.300 0.166 0.000 1.191 130 R HN 0.913 nan 8.270 nan 0.000 0.435 131 G N 0.788 109.653 108.800 0.108 0.000 2.498 131 G HA2 0.268 4.227 3.960 -0.002 0.000 0.181 131 G HA3 0.268 4.227 3.960 -0.002 0.000 0.181 131 G C -1.751 173.114 174.900 -0.058 0.000 1.169 131 G CA -0.428 44.651 45.100 -0.035 0.000 0.992 131 G HN 0.277 nan 8.290 nan 0.000 0.490 132 V N 0.361 120.185 119.914 -0.150 0.000 2.540 132 V HA 0.645 4.764 4.120 -0.002 0.000 0.302 132 V C -0.326 175.690 176.094 -0.130 0.000 1.035 132 V CA -0.758 61.503 62.300 -0.066 0.000 0.873 132 V CB 1.534 33.399 31.823 0.071 0.000 0.992 132 V HN 0.848 nan 8.190 nan 0.000 0.428 133 V N 4.901 124.632 119.914 -0.305 0.000 2.348 133 V HA 0.349 4.468 4.120 -0.002 0.000 0.270 133 V C 0.542 176.280 176.094 -0.593 0.000 1.037 133 V CA -0.215 61.748 62.300 -0.561 0.000 0.872 133 V CB 1.257 32.533 31.823 -0.913 0.000 1.002 133 V HN 1.025 nan 8.190 nan 0.000 0.464 134 E N 5.158 124.946 120.200 -0.686 0.000 1.791 134 E HA 0.300 4.649 4.350 -0.002 0.000 0.263 134 E C 0.792 176.770 176.600 -1.037 0.000 1.213 134 E CA 0.374 56.230 56.400 -0.908 0.000 0.991 134 E CB 0.080 29.189 29.700 -0.985 0.000 1.068 134 E HN 0.880 nan 8.360 nan 0.000 0.417 135 G N 4.471 112.757 108.800 -0.855 0.000 3.969 135 G HA2 0.103 4.062 3.960 -0.002 0.000 0.291 135 G HA3 0.103 4.062 3.960 -0.002 0.000 0.291 135 G C -0.198 174.433 174.900 -0.449 0.000 1.016 135 G CA -0.460 44.249 45.100 -0.653 0.000 0.819 135 G HN 0.453 nan 8.290 nan 0.000 0.493 136 F N -0.467 119.269 119.950 -0.357 0.000 2.380 136 F HA 0.735 5.259 4.527 -0.005 0.000 0.325 136 F C -0.258 175.348 175.800 -0.323 0.000 1.136 136 F CA -2.568 55.285 58.000 -0.244 0.000 1.171 136 F CB 0.303 39.183 39.000 -0.200 0.000 1.230 136 F HN -0.013 nan 8.300 nan 0.000 0.554 137 Y N 1.163 121.528 120.300 0.110 0.000 2.319 137 Y HA 0.538 5.085 4.550 -0.004 0.000 0.328 137 Y C 0.888 176.882 175.900 0.157 0.000 1.133 137 Y CA 0.506 58.638 58.100 0.054 0.000 1.265 137 Y CB 0.864 39.293 38.460 -0.051 0.000 1.218 137 Y HN 1.114 nan 8.280 nan 0.000 0.508 138 G N 0.529 109.505 108.800 0.295 0.000 2.343 138 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.465 138 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.465 138 G C -1.023 174.039 174.900 0.269 0.000 1.282 138 G CA -1.210 44.039 45.100 0.249 0.000 0.996 138 G HN 0.485 nan 8.290 nan 0.000 0.521 139 T N 3.440 118.128 114.554 0.222 0.000 2.738 139 T HA 0.377 4.726 4.350 -0.002 0.000 0.277 139 T C -1.884 173.026 174.700 0.349 0.000 0.981 139 T CA 0.375 62.614 62.100 0.233 0.000 1.211 139 T CB 0.360 69.342 68.868 0.190 0.000 0.932 139 T HN 0.472 nan 8.240 nan 0.000 0.522 140 P HA -0.029 nan 4.420 nan 0.000 0.266 140 P C 0.074 177.608 177.300 0.391 0.000 1.186 140 P CA -0.372 62.847 63.100 0.198 0.000 0.767 140 P CB 0.375 32.136 31.700 0.102 0.000 0.820 141 W N 1.859 123.337 121.300 0.297 0.000 2.231 141 W HA 0.033 4.692 4.660 -0.001 0.000 0.341 141 W C 1.030 177.661 176.519 0.187 0.000 1.298 141 W CA -0.269 57.211 57.345 0.225 0.000 1.266 141 W CB -0.971 28.623 29.460 0.223 0.000 1.172 141 W HN 0.354 nan 8.180 nan 0.000 0.568 142 S N 1.111 117.031 115.700 0.367 0.000 2.589 142 S HA -0.079 4.389 4.470 -0.002 0.000 0.265 142 S C 1.020 175.784 174.600 0.273 0.000 1.342 142 S CA 0.209 58.569 58.200 0.266 0.000 1.005 142 S CB 0.815 64.116 63.200 0.168 0.000 0.909 142 S HN 0.573 nan 8.310 nan 0.000 0.555 143 H N 1.010 120.167 119.070 0.146 0.000 2.321 143 H HA -0.056 4.499 4.556 -0.002 0.000 0.300 143 H C 2.104 177.464 175.328 0.054 0.000 1.087 143 H CA 2.339 58.454 56.048 0.111 0.000 1.319 143 H CB -0.156 29.651 29.762 0.077 0.000 1.379 143 H HN 0.609 nan 8.280 nan 0.000 0.501 144 Q N 0.024 119.831 119.800 0.011 0.000 2.124 144 Q HA -0.099 4.240 4.340 -0.002 0.000 0.202 144 Q C 2.537 178.458 176.000 -0.131 0.000 0.977 144 Q CA 1.148 56.898 55.803 -0.088 0.000 0.850 144 Q CB -0.538 28.188 28.738 -0.021 0.000 0.901 144 Q HN 0.623 nan 8.270 nan 0.000 0.429 145 A N 1.348 124.113 122.820 -0.091 0.000 1.877 145 A HA -0.208 4.110 4.320 -0.002 0.000 0.216 145 A C 2.205 179.658 177.584 -0.218 0.000 1.186 145 A CA 1.485 53.409 52.037 -0.189 0.000 0.620 145 A CB -0.457 18.417 19.000 -0.211 0.000 0.822 145 A HN 0.256 nan 8.150 nan 0.000 0.443 146 R N -0.561 119.893 120.500 -0.076 0.000 2.081 146 R HA -0.053 4.285 4.340 -0.002 0.000 0.235 146 R C 2.094 178.252 176.300 -0.238 0.000 1.131 146 R CA 1.459 57.519 56.100 -0.066 0.000 0.960 146 R CB -0.575 29.789 30.300 0.106 0.000 0.856 146 R HN 0.527 nan 8.270 nan 0.000 0.436 147 L N -0.216 120.841 121.223 -0.276 0.000 1.990 147 L HA -0.261 4.077 4.340 -0.002 0.000 0.213 147 L C 2.618 179.346 176.870 -0.237 0.000 1.072 147 L CA 1.500 56.182 54.840 -0.263 0.000 0.755 147 L CB -0.659 41.239 42.059 -0.269 0.000 0.889 147 L HN 0.207 nan 8.230 nan 0.000 0.432 148 S N -1.082 114.479 115.700 -0.232 0.000 2.370 148 S HA -0.223 4.246 4.470 -0.002 0.000 0.226 148 S C 2.057 176.496 174.600 -0.268 0.000 1.033 148 S CA 1.294 59.362 58.200 -0.221 0.000 1.011 148 S CB -0.103 62.951 63.200 -0.243 0.000 0.852 148 S HN 0.382 nan 8.310 nan 0.000 0.457 149 Q N 0.466 120.035 119.800 -0.386 0.000 2.084 149 Q HA -0.038 4.300 4.340 -0.002 0.000 0.202 149 Q C 2.341 177.828 176.000 -0.855 0.000 0.978 149 Q CA 1.186 56.653 55.803 -0.560 0.000 0.844 149 Q CB -0.554 27.862 28.738 -0.537 0.000 0.898 149 Q HN 0.548 nan 8.270 nan 0.000 0.426 150 L N 0.933 121.772 121.223 -0.641 0.000 2.046 150 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 150 L C 2.364 179.098 176.870 -0.226 0.000 1.077 150 L CA 1.089 55.629 54.840 -0.500 0.000 0.747 150 L CB -0.426 41.471 42.059 -0.271 0.000 0.896 150 L HN 0.120 nan 8.230 nan 0.000 0.432 151 K N -0.509 119.810 120.400 -0.134 0.000 2.147 151 K HA -0.176 4.143 4.320 -0.002 0.000 0.205 151 K C 2.076 178.724 176.600 0.080 0.000 1.049 151 K CA 1.357 57.642 56.287 -0.004 0.000 0.936 151 K CB -0.550 31.948 32.500 -0.002 0.000 0.722 151 K HN 0.180 nan 8.250 nan 0.000 0.446 152 F N 1.507 121.385 119.950 -0.119 0.000 2.146 152 F HA -0.182 4.343 4.527 -0.003 0.000 0.298 152 F C 2.008 177.915 175.800 0.177 0.000 1.096 152 F CA 1.078 59.079 58.000 0.001 0.000 1.275 152 F CB -0.282 38.700 39.000 -0.029 0.000 1.008 152 F HN -0.096 nan 8.300 nan 0.000 0.480 153 Y N 0.534 120.892 120.300 0.096 0.000 2.097 153 Y HA -0.085 4.464 4.550 -0.001 0.000 0.282 153 Y C 2.843 178.760 175.900 0.028 0.000 1.152 153 Y CA 0.512 58.635 58.100 0.038 0.000 1.136 153 Y CB -1.788 36.755 38.460 0.138 0.000 0.975 153 Y HN 0.104 nan 8.280 nan 0.000 0.498 154 G N 0.179 109.143 108.800 0.272 0.000 2.703 154 G HA2 -0.382 3.577 3.960 -0.002 0.000 0.222 154 G HA3 -0.382 3.577 3.960 -0.002 0.000 0.222 154 G C 1.796 176.814 174.900 0.197 0.000 1.183 154 G CA 1.747 47.044 45.100 0.327 0.000 0.775 154 G HN 0.383 nan 8.290 nan 0.000 0.615 155 K N -0.041 120.370 120.400 0.019 0.000 2.211 155 K HA -0.014 4.305 4.320 -0.002 0.000 0.203 155 K C 1.590 178.025 176.600 -0.276 0.000 1.050 155 K CA 1.086 57.300 56.287 -0.123 0.000 0.945 155 K CB -0.034 32.391 32.500 -0.126 0.000 0.732 155 K HN 0.345 nan 8.250 nan 0.000 0.451 156 N N 0.045 118.547 118.700 -0.330 0.000 2.214 156 N HA 0.079 4.818 4.740 -0.002 0.000 0.214 156 N C -0.939 174.302 175.510 -0.449 0.000 1.132 156 N CA -0.058 52.714 53.050 -0.463 0.000 0.856 156 N CB 0.624 38.773 38.487 -0.565 0.000 1.020 156 N HN -0.040 nan 8.380 nan 0.000 0.509 157 K N -0.059 120.077 120.400 -0.440 0.000 3.069 157 K HA -0.218 4.101 4.320 -0.002 0.000 0.267 157 K C -0.653 175.840 176.600 -0.178 0.000 1.082 157 K CA 0.596 56.457 56.287 -0.711 0.000 0.782 157 K CB -1.527 30.100 32.500 -1.454 0.000 1.230 157 K HN 0.368 nan 8.250 nan 0.000 0.488 158 M N 1.452 121.059 119.600 0.012 0.000 2.180 158 M HA 0.076 4.555 4.480 -0.002 0.000 0.358 158 M C 1.176 177.645 176.300 0.282 0.000 1.233 158 M CA -0.058 55.319 55.300 0.128 0.000 1.114 158 M CB 0.630 33.239 32.600 0.014 0.000 1.594 158 M HN 0.203 nan 8.290 nan 0.000 0.467 159 N N 0.137 119.023 118.700 0.311 0.000 2.171 159 N HA 0.103 4.842 4.740 -0.002 0.000 0.212 159 N C -0.796 174.890 175.510 0.294 0.000 1.184 159 N CA -0.256 53.009 53.050 0.358 0.000 0.888 159 N CB 0.683 39.429 38.487 0.432 0.000 1.038 159 N HN 0.372 nan 8.380 nan 0.000 0.517 160 T N 0.606 115.304 114.554 0.241 0.000 2.848 160 T HA 0.311 4.660 4.350 -0.002 0.000 0.285 160 T C -2.087 172.719 174.700 0.178 0.000 0.995 160 T CA -0.405 61.807 62.100 0.187 0.000 0.970 160 T CB 1.541 70.519 68.868 0.182 0.000 0.976 160 T HN 0.167 nan 8.240 nan 0.000 0.441 161 Y N 3.559 123.874 120.300 0.025 0.000 2.322 161 Y HA 0.587 5.137 4.550 -0.001 0.000 0.324 161 Y C -1.426 174.345 175.900 -0.215 0.000 1.027 161 Y CA -1.456 56.633 58.100 -0.018 0.000 1.179 161 Y CB 0.577 39.129 38.460 0.153 0.000 1.136 161 Y HN 0.606 nan 8.280 nan 0.000 0.449 162 I N 7.866 128.018 120.570 -0.696 0.000 2.287 162 I HA 0.143 4.312 4.170 -0.002 0.000 0.290 162 I C -0.926 174.581 176.117 -1.017 0.000 1.069 162 I CA -0.748 60.128 61.300 -0.707 0.000 1.237 162 I CB 0.429 38.182 38.000 -0.412 0.000 1.418 162 I HN 0.621 nan 8.210 nan 0.000 0.481 163 Y N 6.413 125.978 120.300 -1.224 0.000 2.452 163 Y HA 0.551 5.101 4.550 -0.000 0.000 0.348 163 Y C 0.630 176.042 175.900 -0.814 0.000 0.985 163 Y CA -0.357 57.132 58.100 -1.018 0.000 1.214 163 Y CB 0.823 38.867 38.460 -0.692 0.000 1.136 163 Y HN 0.564 nan 8.280 nan 0.000 0.523 164 G N 7.744 115.803 108.800 -1.234 0.000 4.485 164 G HA2 0.149 4.108 3.960 -0.002 0.000 0.238 164 G HA3 0.149 4.108 3.960 -0.002 0.000 0.238 164 G C -3.414 170.665 174.900 -1.368 0.000 1.216 164 G CA -0.911 43.352 45.100 -1.396 0.000 0.611 164 G HN 0.445 nan 8.290 nan 0.000 0.422 165 P HA 0.180 nan 4.420 nan 0.000 0.276 165 P C 0.781 177.677 177.300 -0.674 0.000 1.253 165 P CA -0.234 62.252 63.100 -1.023 0.000 0.766 165 P CB 2.005 33.181 31.700 -0.873 0.000 0.845 166 K N 1.973 121.995 120.400 -0.629 0.000 2.218 166 K HA -0.136 4.183 4.320 -0.002 0.000 0.205 166 K C 0.592 177.068 176.600 -0.206 0.000 1.046 166 K CA 1.464 57.449 56.287 -0.502 0.000 0.933 166 K CB -0.266 31.571 32.500 -1.104 0.000 0.728 166 K HN 0.489 nan 8.250 nan 0.000 0.454 167 D N 0.936 121.241 120.400 -0.158 0.000 2.328 167 D HA -0.045 4.594 4.640 -0.002 0.000 0.221 167 D C -0.116 176.210 176.300 0.043 0.000 1.072 167 D CA 0.183 54.181 54.000 -0.002 0.000 0.850 167 D CB 0.007 40.842 40.800 0.059 0.000 0.922 167 D HN 0.090 nan 8.370 nan 0.000 0.516 168 D N 1.289 121.717 120.400 0.047 0.000 2.339 168 D HA 0.058 4.697 4.640 -0.002 0.000 0.241 168 D C -1.430 174.982 176.300 0.188 0.000 1.183 168 D CA -2.081 52.029 54.000 0.183 0.000 0.859 168 D CB 1.746 42.705 40.800 0.265 0.000 1.067 168 D HN -0.066 nan 8.370 nan 0.000 0.484 169 P HA -0.146 nan 4.420 nan 0.000 0.222 169 P C 0.619 177.811 177.300 -0.180 0.000 1.147 169 P CA 0.924 63.957 63.100 -0.112 0.000 0.790 169 P CB 0.007 31.522 31.700 -0.307 0.000 0.780 170 Y N -1.695 118.659 120.300 0.091 0.000 2.490 170 Y HA 0.004 4.553 4.550 -0.002 0.000 0.281 170 Y C 2.623 178.704 175.900 0.302 0.000 1.174 170 Y CA 0.680 58.766 58.100 -0.024 0.000 1.295 170 Y CB -0.745 37.329 38.460 -0.643 0.000 1.062 170 Y HN 0.184 nan 8.280 nan 0.000 0.522 171 H N -2.238 117.057 119.070 0.374 0.000 2.481 171 H HA 0.263 4.817 4.556 -0.003 0.000 0.291 171 H C 1.325 176.743 175.328 0.151 0.000 1.009 171 H CA 0.764 56.965 56.048 0.254 0.000 1.282 171 H CB 0.230 30.048 29.762 0.092 0.000 1.457 171 H HN 0.007 nan 8.280 nan 0.000 0.525 172 S N -0.596 115.100 115.700 -0.007 0.000 2.677 172 S HA 0.735 5.204 4.470 -0.002 0.000 0.290 172 S C -0.197 174.537 174.600 0.224 0.000 1.124 172 S CA -0.384 57.817 58.200 0.002 0.000 1.017 172 S CB 0.524 63.722 63.200 -0.003 0.000 1.215 172 S HN 0.618 nan 8.310 nan 0.000 0.524 173 A N 1.357 124.331 122.820 0.258 0.000 2.304 173 A HA 0.570 4.889 4.320 -0.002 0.000 0.271 173 A C -1.812 175.815 177.584 0.073 0.000 1.091 173 A CA -1.113 51.073 52.037 0.250 0.000 0.812 173 A CB -0.236 18.918 19.000 0.257 0.000 1.056 173 A HN 0.717 nan 8.150 nan 0.000 0.489 174 P HA 0.088 nan 4.420 nan 0.000 0.257 174 P C -0.090 177.064 177.300 -0.244 0.000 1.241 174 P CA 0.385 63.438 63.100 -0.078 0.000 0.816 174 P CB 0.312 31.958 31.700 -0.090 0.000 1.150 175 N N 0.354 118.922 118.700 -0.219 0.000 2.320 175 N HA 0.026 4.765 4.740 -0.002 0.000 0.237 175 N C 1.322 176.765 175.510 -0.112 0.000 1.129 175 N CA -0.285 52.600 53.050 -0.274 0.000 0.854 175 N CB -0.616 37.608 38.487 -0.438 0.000 1.083 175 N HN 0.416 nan 8.380 nan 0.000 0.504 176 W N 0.980 122.273 121.300 -0.012 0.000 2.350 176 W HA -0.088 4.571 4.660 -0.000 0.000 0.289 176 W C 0.946 177.523 176.519 0.095 0.000 1.215 176 W CA 0.150 57.545 57.345 0.082 0.000 1.236 176 W CB -0.822 28.644 29.460 0.011 0.000 1.130 176 W HN 0.054 nan 8.180 nan 0.000 0.541 177 R N 0.344 120.530 120.500 -0.524 0.000 2.193 177 R HA -0.042 4.296 4.340 -0.002 0.000 0.229 177 R C 0.415 176.628 176.300 -0.144 0.000 1.110 177 R CA 0.612 56.431 56.100 -0.467 0.000 0.988 177 R CB -0.505 29.337 30.300 -0.763 0.000 0.871 177 R HN 0.043 nan 8.270 nan 0.000 0.458 178 L N 1.488 122.677 121.223 -0.057 0.000 2.322 178 L HA 0.319 4.657 4.340 -0.002 0.000 0.279 178 L C -2.118 174.790 176.870 0.063 0.000 1.036 178 L CA -2.501 52.357 54.840 0.029 0.000 0.807 178 L CB 1.260 43.373 42.059 0.091 0.000 1.226 178 L HN -0.150 nan 8.230 nan 0.000 0.433 179 P HA 0.065 nan 4.420 nan 0.000 0.272 179 P C -0.994 176.158 177.300 -0.247 0.000 1.230 179 P CA -0.231 62.830 63.100 -0.064 0.000 0.788 179 P CB 0.231 31.915 31.700 -0.026 0.000 0.949 180 Y N 0.828 120.929 120.300 -0.331 0.000 2.578 180 Y HA 0.086 4.634 4.550 -0.003 0.000 0.339 180 Y C -1.168 174.481 175.900 -0.419 0.000 1.231 180 Y CA -0.879 56.858 58.100 -0.606 0.000 1.461 180 Y CB -1.187 37.038 38.460 -0.390 0.000 1.323 180 Y HN 0.347 nan 8.280 nan 0.000 0.590 181 P HA -0.035 nan 4.420 nan 0.000 0.270 181 P C 0.139 177.401 177.300 -0.063 0.000 1.223 181 P CA -0.053 62.978 63.100 -0.114 0.000 0.785 181 P CB 0.761 32.421 31.700 -0.067 0.000 0.923 182 D N 0.860 121.232 120.400 -0.045 0.000 2.133 182 D HA -0.202 4.437 4.640 -0.002 0.000 0.195 182 D C 1.638 177.901 176.300 -0.063 0.000 0.997 182 D CA 1.587 55.557 54.000 -0.049 0.000 0.840 182 D CB -0.152 40.626 40.800 -0.036 0.000 0.947 182 D HN 0.534 nan 8.370 nan 0.000 0.452 183 K N 0.995 121.364 120.400 -0.052 0.000 2.025 183 K HA -0.159 4.159 4.320 -0.002 0.000 0.207 183 K C 1.904 178.445 176.600 -0.097 0.000 1.049 183 K CA 1.183 57.430 56.287 -0.066 0.000 0.933 183 K CB 0.034 32.510 32.500 -0.041 0.000 0.714 183 K HN -0.154 nan 8.250 nan 0.000 0.438 184 E N 0.692 120.853 120.200 -0.066 0.000 2.118 184 E HA -0.159 4.190 4.350 -0.002 0.000 0.195 184 E C 1.855 178.322 176.600 -0.222 0.000 0.992 184 E CA 1.515 57.863 56.400 -0.086 0.000 0.804 184 E CB -0.254 29.485 29.700 0.066 0.000 0.741 184 E HN 0.497 nan 8.360 nan 0.000 0.458 185 A N 0.906 123.615 122.820 -0.185 0.000 1.865 185 A HA -0.146 4.173 4.320 -0.002 0.000 0.217 185 A C 2.378 179.828 177.584 -0.224 0.000 1.191 185 A CA 1.995 53.895 52.037 -0.228 0.000 0.623 185 A CB -0.958 17.966 19.000 -0.128 0.000 0.826 185 A HN 0.309 nan 8.150 nan 0.000 0.444 186 A N -0.999 121.721 122.820 -0.168 0.000 2.019 186 A HA -0.165 4.154 4.320 -0.002 0.000 0.219 186 A C 2.082 179.563 177.584 -0.172 0.000 1.164 186 A CA 1.557 53.504 52.037 -0.150 0.000 0.644 186 A CB -0.451 18.481 19.000 -0.113 0.000 0.805 186 A HN 0.694 nan 8.150 nan 0.000 0.449 187 Q N -0.699 118.967 119.800 -0.223 0.000 2.137 187 Q HA 0.081 4.420 4.340 -0.002 0.000 0.198 187 Q C 1.956 177.885 176.000 -0.118 0.000 0.960 187 Q CA 0.841 56.483 55.803 -0.267 0.000 0.847 187 Q CB -0.185 28.240 28.738 -0.521 0.000 0.915 187 Q HN 0.646 nan 8.270 nan 0.000 0.448 188 L N 0.609 121.677 121.223 -0.258 0.000 2.093 188 L HA -0.219 4.120 4.340 -0.002 0.000 0.208 188 L C 2.438 179.057 176.870 -0.418 0.000 1.085 188 L CA 1.159 55.768 54.840 -0.385 0.000 0.755 188 L CB -0.230 41.475 42.059 -0.590 0.000 0.904 188 L HN 0.313 nan 8.230 nan 0.000 0.435 189 Q N -0.309 119.306 119.800 -0.309 0.000 2.020 189 Q HA -0.292 4.047 4.340 -0.002 0.000 0.202 189 Q C 2.096 177.970 176.000 -0.211 0.000 0.982 189 Q CA 2.000 57.644 55.803 -0.265 0.000 0.838 189 Q CB -0.116 28.509 28.738 -0.188 0.000 0.899 189 Q HN 0.459 nan 8.270 nan 0.000 0.423 190 E N 0.698 120.823 120.200 -0.124 0.000 2.070 190 E HA -0.236 4.113 4.350 -0.002 0.000 0.197 190 E C 2.017 178.565 176.600 -0.087 0.000 1.004 190 E CA 1.113 57.476 56.400 -0.062 0.000 0.805 190 E CB -0.144 29.585 29.700 0.048 0.000 0.744 190 E HN 0.290 nan 8.360 nan 0.000 0.451 191 L N 0.350 121.523 121.223 -0.082 0.000 1.990 191 L HA -0.237 4.102 4.340 -0.002 0.000 0.213 191 L C 2.655 179.413 176.870 -0.187 0.000 1.072 191 L CA 1.320 56.097 54.840 -0.104 0.000 0.755 191 L CB -0.718 41.331 42.059 -0.018 0.000 0.889 191 L HN 0.172 nan 8.230 nan 0.000 0.432 192 V N 0.324 119.979 119.914 -0.432 0.000 2.252 192 V HA -0.349 3.770 4.120 -0.002 0.000 0.249 192 V C 2.750 178.732 176.094 -0.186 0.000 1.056 192 V CA 2.035 64.098 62.300 -0.395 0.000 1.022 192 V CB -0.955 30.565 31.823 -0.506 0.000 0.641 192 V HN 0.537 nan 8.190 nan 0.000 0.445 193 A N -0.834 121.883 122.820 -0.171 0.000 2.070 193 A HA -0.121 4.197 4.320 -0.002 0.000 0.220 193 A C 2.294 179.805 177.584 -0.121 0.000 1.159 193 A CA 1.909 53.870 52.037 -0.126 0.000 0.656 193 A CB -0.437 18.499 19.000 -0.106 0.000 0.800 193 A HN 0.386 nan 8.150 nan 0.000 0.453 194 V N -0.764 119.084 119.914 -0.109 0.000 2.446 194 V HA -0.082 4.037 4.120 -0.002 0.000 0.244 194 V C 2.980 179.016 176.094 -0.097 0.000 1.039 194 V CA 1.377 63.614 62.300 -0.106 0.000 1.045 194 V CB -0.975 30.786 31.823 -0.102 0.000 0.681 194 V HN 0.570 nan 8.190 nan 0.000 0.459 195 A N 0.850 123.649 122.820 -0.035 0.000 1.917 195 A HA -0.272 4.047 4.320 -0.002 0.000 0.219 195 A C 2.057 179.609 177.584 -0.052 0.000 1.182 195 A CA 2.327 54.382 52.037 0.031 0.000 0.633 195 A CB -0.722 18.398 19.000 0.200 0.000 0.819 195 A HN 0.590 nan 8.150 nan 0.000 0.448 196 N N 0.013 118.655 118.700 -0.098 0.000 2.025 196 N HA -0.163 4.576 4.740 -0.002 0.000 0.194 196 N C 1.602 176.871 175.510 -0.401 0.000 1.044 196 N CA 1.735 54.695 53.050 -0.150 0.000 0.851 196 N CB -0.699 37.724 38.487 -0.108 0.000 1.036 196 N HN 0.663 nan 8.380 nan 0.000 0.422 197 E N 0.243 120.127 120.200 -0.528 0.000 2.233 197 E HA -0.102 4.246 4.350 -0.002 0.000 0.199 197 E C 0.520 176.730 176.600 -0.649 0.000 1.004 197 E CA 0.769 56.676 56.400 -0.821 0.000 0.819 197 E CB -0.069 29.405 29.700 -0.376 0.000 0.738 197 E HN 0.372 nan 8.360 nan 0.000 0.478 198 N N 0.359 118.820 118.700 -0.398 0.000 2.214 198 N HA -0.020 4.719 4.740 -0.002 0.000 0.214 198 N C -0.652 174.650 175.510 -0.347 0.000 1.132 198 N CA 0.173 53.056 53.050 -0.278 0.000 0.856 198 N CB 0.870 39.338 38.487 -0.031 0.000 1.020 198 N HN 0.023 nan 8.380 nan 0.000 0.509 199 E N -0.136 119.809 120.200 -0.426 0.000 2.586 199 E HA -0.149 4.200 4.350 -0.002 0.000 0.259 199 E C -0.618 175.997 176.600 0.025 0.000 1.107 199 E CA 0.408 56.661 56.400 -0.245 0.000 0.754 199 E CB -1.852 27.579 29.700 -0.447 0.000 1.335 199 E HN 0.089 nan 8.360 nan 0.000 0.411 200 V N 0.960 120.918 119.914 0.074 0.000 2.547 200 V HA 0.211 4.329 4.120 -0.002 0.000 0.299 200 V C 0.448 176.654 176.094 0.186 0.000 1.040 200 V CA -0.634 61.785 62.300 0.199 0.000 0.913 200 V CB 1.883 33.871 31.823 0.274 0.000 0.992 200 V HN -0.051 nan 8.190 nan 0.000 0.449 201 D N 3.519 124.041 120.400 0.205 0.000 2.393 201 D HA 0.183 4.822 4.640 -0.002 0.000 0.232 201 D C -0.258 176.163 176.300 0.201 0.000 1.192 201 D CA -0.006 54.096 54.000 0.169 0.000 0.882 201 D CB 0.459 41.326 40.800 0.112 0.000 1.038 201 D HN 0.397 nan 8.370 nan 0.000 0.499 202 F N 2.988 122.997 119.950 0.097 0.000 2.538 202 F HA 0.037 4.564 4.527 -0.000 0.000 0.382 202 F C -0.058 175.729 175.800 -0.021 0.000 1.069 202 F CA -0.159 57.914 58.000 0.121 0.000 1.138 202 F CB 0.363 39.410 39.000 0.079 0.000 1.068 202 F HN 0.011 nan 8.300 nan 0.000 0.556 203 V N 7.443 127.208 119.914 -0.249 0.000 2.311 203 V HA 0.019 4.138 4.120 -0.002 0.000 0.275 203 V C -0.604 175.298 176.094 -0.319 0.000 1.022 203 V CA -0.841 61.304 62.300 -0.258 0.000 0.830 203 V CB 0.509 32.180 31.823 -0.254 0.000 1.012 203 V HN 0.750 nan 8.190 nan 0.000 0.452 204 W N 5.595 126.696 121.300 -0.331 0.000 2.387 204 W HA 0.637 5.298 4.660 0.001 0.000 0.310 204 W C 0.359 176.787 176.519 -0.151 0.000 1.181 204 W CA -0.318 56.935 57.345 -0.153 0.000 1.333 204 W CB 0.733 30.174 29.460 -0.032 0.000 1.286 204 W HN 0.674 nan 8.180 nan 0.000 0.455 205 A N 6.994 129.307 122.820 -0.844 0.000 2.293 205 A HA 0.729 5.048 4.320 -0.002 0.000 0.302 205 A C -1.258 175.614 177.584 -1.187 0.000 1.119 205 A CA -0.711 50.741 52.037 -0.974 0.000 0.823 205 A CB 0.921 19.046 19.000 -1.457 0.000 1.097 205 A HN 0.741 nan 8.150 nan 0.000 0.491 206 I N 0.185 120.275 120.570 -0.801 0.000 2.785 206 I HA 0.391 4.560 4.170 -0.002 0.000 0.302 206 I C -0.834 174.861 176.117 -0.703 0.000 1.069 206 I CA -0.510 60.375 61.300 -0.691 0.000 1.045 206 I CB 1.826 39.724 38.000 -0.168 0.000 1.236 206 I HN 0.797 nan 8.210 nan 0.000 0.429 207 H N 7.728 126.259 119.070 -0.898 0.000 2.448 207 H HA 0.395 4.949 4.556 -0.004 0.000 0.237 207 H C -2.488 172.421 175.328 -0.698 0.000 1.391 207 H CA -1.568 54.050 56.048 -0.717 0.000 1.477 207 H CB 1.472 30.799 29.762 -0.724 0.000 1.520 207 H HN 0.371 nan 8.280 nan 0.000 0.502 208 P HA 0.152 nan 4.420 nan 0.000 0.275 208 P C 1.450 178.341 177.300 -0.683 0.000 1.310 208 P CA 0.328 62.554 63.100 -1.457 0.000 0.904 208 P CB 0.551 30.884 31.700 -2.279 0.000 1.381 209 G N 2.114 110.611 108.800 -0.506 0.000 2.442 209 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.219 209 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.219 209 G C 1.552 176.410 174.900 -0.071 0.000 1.141 209 G CA 0.798 45.823 45.100 -0.124 0.000 0.763 209 G HN 0.333 nan 8.290 nan 0.000 0.554 210 Q N 1.218 120.991 119.800 -0.044 0.000 2.167 210 Q HA -0.074 4.265 4.340 -0.002 0.000 0.202 210 Q C 1.160 177.186 176.000 0.043 0.000 0.970 210 Q CA 1.764 57.591 55.803 0.040 0.000 0.855 210 Q CB -0.237 28.561 28.738 0.100 0.000 0.911 210 Q HN 0.612 nan 8.270 nan 0.000 0.438 211 D N -0.580 119.865 120.400 0.074 0.000 2.527 211 D HA 0.153 4.792 4.640 -0.002 0.000 0.224 211 D C 0.427 176.769 176.300 0.070 0.000 1.217 211 D CA -0.609 53.444 54.000 0.087 0.000 0.819 211 D CB -0.295 40.584 40.800 0.131 0.000 1.061 211 D HN 0.221 nan 8.370 nan 0.000 0.515 212 I N 1.051 121.605 120.570 -0.026 0.000 2.648 212 I HA 0.036 4.205 4.170 -0.002 0.000 0.284 212 I C -0.235 175.688 176.117 -0.324 0.000 1.153 212 I CA 0.007 61.225 61.300 -0.137 0.000 1.426 212 I CB 0.472 38.213 38.000 -0.432 0.000 1.381 212 I HN -0.248 nan 8.210 nan 0.000 0.571 213 K N 6.672 126.945 120.400 -0.212 0.000 2.213 213 K HA 0.204 4.523 4.320 -0.002 0.000 0.270 213 K C -1.310 175.167 176.600 -0.206 0.000 1.002 213 K CA -0.284 55.887 56.287 -0.193 0.000 0.868 213 K CB 0.835 33.303 32.500 -0.054 0.000 1.093 213 K HN 0.482 nan 8.250 nan 0.000 0.454 214 W N 5.000 126.308 121.300 0.014 0.000 1.539 214 W HA 0.029 4.686 4.660 -0.004 0.000 0.502 214 W C 0.257 176.762 176.519 -0.023 0.000 0.689 214 W CA -0.561 56.775 57.345 -0.014 0.000 2.088 214 W CB -0.422 29.020 29.460 -0.029 0.000 1.686 214 W HN 0.568 nan 8.180 nan 0.000 0.211 215 N N -0.644 118.138 118.700 0.136 0.000 2.697 215 N HA 0.336 5.075 4.740 -0.002 0.000 0.272 215 N C 0.521 176.047 175.510 0.027 0.000 1.381 215 N CA -1.136 51.955 53.050 0.069 0.000 0.797 215 N CB 0.698 39.208 38.487 0.039 0.000 1.523 215 N HN -0.141 nan 8.380 nan 0.000 0.518 216 K N -0.044 120.355 120.400 -0.003 0.000 2.103 216 K HA -0.126 4.193 4.320 -0.002 0.000 0.207 216 K C 1.471 178.057 176.600 -0.023 0.000 1.048 216 K CA 1.568 57.834 56.287 -0.035 0.000 0.930 216 K CB -0.206 32.280 32.500 -0.023 0.000 0.716 216 K HN 0.766 nan 8.250 nan 0.000 0.444 217 E N 1.043 121.239 120.200 -0.006 0.000 2.015 217 E HA -0.219 4.130 4.350 -0.002 0.000 0.191 217 E C 1.433 178.036 176.600 0.004 0.000 0.991 217 E CA 1.376 57.773 56.400 -0.006 0.000 0.802 217 E CB -0.049 29.643 29.700 -0.012 0.000 0.759 217 E HN 0.187 nan 8.360 nan 0.000 0.447 218 D N 0.041 120.454 120.400 0.022 0.000 2.144 218 D HA -0.178 4.460 4.640 -0.002 0.000 0.199 218 D C 2.176 178.539 176.300 0.106 0.000 0.984 218 D CA 1.459 55.514 54.000 0.091 0.000 0.834 218 D CB -0.200 40.670 40.800 0.117 0.000 0.955 218 D HN 0.229 nan 8.370 nan 0.000 0.465 219 R N 0.664 121.182 120.500 0.030 0.000 2.193 219 R HA -0.061 4.277 4.340 -0.002 0.000 0.229 219 R C 1.244 177.534 176.300 -0.017 0.000 1.110 219 R CA 1.387 57.477 56.100 -0.016 0.000 0.988 219 R CB -0.315 29.922 30.300 -0.103 0.000 0.871 219 R HN -0.003 nan 8.270 nan 0.000 0.458 220 D N 0.064 120.464 120.400 -0.000 0.000 2.216 220 D HA 0.002 4.641 4.640 -0.002 0.000 0.208 220 D C 1.649 177.962 176.300 0.022 0.000 0.960 220 D CA 0.539 54.553 54.000 0.023 0.000 0.861 220 D CB -0.022 40.791 40.800 0.022 0.000 0.985 220 D HN 0.089 nan 8.370 nan 0.000 0.493 221 L N 0.964 122.205 121.223 0.030 0.000 2.079 221 L HA -0.098 4.241 4.340 -0.002 0.000 0.210 221 L C 2.365 179.290 176.870 0.092 0.000 1.081 221 L CA 1.095 55.953 54.840 0.030 0.000 0.752 221 L CB -1.166 40.872 42.059 -0.036 0.000 0.896 221 L HN 0.113 nan 8.230 nan 0.000 0.433 222 L N -1.569 119.735 121.223 0.135 0.000 2.056 222 L HA -0.199 4.140 4.340 -0.002 0.000 0.207 222 L C 2.317 179.012 176.870 -0.291 0.000 1.078 222 L CA 0.896 55.728 54.840 -0.015 0.000 0.749 222 L CB -0.086 41.875 42.059 -0.163 0.000 0.901 222 L HN 0.159 nan 8.230 nan 0.000 0.433 223 L N -0.180 120.923 121.223 -0.201 0.000 2.093 223 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 223 L C 2.781 179.569 176.870 -0.137 0.000 1.085 223 L CA 1.837 56.539 54.840 -0.230 0.000 0.755 223 L CB -1.724 40.305 42.059 -0.050 0.000 0.904 223 L HN 0.374 nan 8.230 nan 0.000 0.435 224 A N -0.539 122.258 122.820 -0.039 0.000 2.014 224 A HA -0.190 4.129 4.320 -0.002 0.000 0.218 224 A C 2.330 179.937 177.584 0.038 0.000 1.163 224 A CA 1.410 53.452 52.037 0.008 0.000 0.652 224 A CB -0.218 18.791 19.000 0.015 0.000 0.808 224 A HN 0.235 nan 8.150 nan 0.000 0.449 225 K N -0.451 119.983 120.400 0.057 0.000 2.001 225 K HA -0.042 4.277 4.320 -0.002 0.000 0.208 225 K C 1.489 178.224 176.600 0.226 0.000 1.048 225 K CA 1.348 57.715 56.287 0.133 0.000 0.932 225 K CB -0.680 31.964 32.500 0.241 0.000 0.715 225 K HN 0.259 nan 8.250 nan 0.000 0.437 226 F N 1.694 121.619 119.950 -0.041 0.000 2.120 226 F HA -0.149 4.376 4.527 -0.003 0.000 0.300 226 F C 2.326 178.086 175.800 -0.066 0.000 1.095 226 F CA 1.712 59.613 58.000 -0.164 0.000 1.249 226 F CB -1.151 37.330 39.000 -0.865 0.000 0.995 226 F HN 0.287 nan 8.300 nan 0.000 0.480 227 E N 0.547 120.803 120.200 0.093 0.000 2.077 227 E HA -0.175 4.174 4.350 -0.002 0.000 0.193 227 E C 2.111 178.868 176.600 0.262 0.000 0.989 227 E CA 1.393 57.931 56.400 0.230 0.000 0.800 227 E CB -0.167 29.616 29.700 0.138 0.000 0.746 227 E HN 0.011 nan 8.360 nan 0.000 0.452 228 K N -0.361 120.137 120.400 0.163 0.000 2.097 228 K HA -0.072 4.247 4.320 -0.002 0.000 0.206 228 K C 1.898 178.547 176.600 0.082 0.000 1.049 228 K CA 1.234 57.584 56.287 0.105 0.000 0.933 228 K CB -0.189 32.340 32.500 0.047 0.000 0.717 228 K HN 0.296 nan 8.250 nan 0.000 0.442 229 M N -0.626 119.027 119.600 0.087 0.000 2.229 229 M HA -0.142 4.337 4.480 -0.002 0.000 0.264 229 M C 2.042 178.442 176.300 0.166 0.000 1.063 229 M CA 1.185 56.486 55.300 0.001 0.000 1.114 229 M CB -1.179 31.391 32.600 -0.051 0.000 1.387 229 M HN 0.098 nan 8.290 nan 0.000 0.420 230 Y N 1.503 121.980 120.300 0.296 0.000 2.181 230 Y HA -0.254 4.294 4.550 -0.002 0.000 0.288 230 Y C 2.404 178.373 175.900 0.115 0.000 1.146 230 Y CA 1.924 60.204 58.100 0.299 0.000 1.164 230 Y CB -0.174 38.519 38.460 0.388 0.000 0.982 230 Y HN 0.320 nan 8.280 nan 0.000 0.515 231 Q N -0.180 119.755 119.800 0.226 0.000 2.170 231 Q HA -0.146 4.193 4.340 -0.002 0.000 0.203 231 Q C 1.884 177.859 176.000 -0.042 0.000 0.976 231 Q CA 1.593 57.453 55.803 0.096 0.000 0.858 231 Q CB -0.153 28.648 28.738 0.106 0.000 0.907 231 Q HN 0.529 nan 8.270 nan 0.000 0.433 232 L N -1.309 119.861 121.223 -0.087 0.000 2.599 232 L HA 0.144 4.483 4.340 -0.002 0.000 0.230 232 L C 1.154 177.886 176.870 -0.230 0.000 1.141 232 L CA 0.513 55.251 54.840 -0.169 0.000 0.877 232 L CB 0.017 41.941 42.059 -0.226 0.000 1.009 232 L HN 0.394 nan 8.230 nan 0.000 0.447 233 G N -0.476 108.178 108.800 -0.244 0.000 2.168 233 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.197 233 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.197 233 G C 0.171 174.897 174.900 -0.289 0.000 0.997 233 G CA -0.251 44.673 45.100 -0.293 0.000 0.658 233 G HN 0.036 nan 8.290 nan 0.000 0.513 234 V N 1.713 121.477 119.914 -0.251 0.000 2.585 234 V HA 0.353 4.472 4.120 -0.002 0.000 0.296 234 V C 1.407 177.419 176.094 -0.136 0.000 1.035 234 V CA 0.228 62.398 62.300 -0.216 0.000 1.084 234 V CB 1.295 32.954 31.823 -0.274 0.000 0.953 234 V HN 0.338 nan 8.190 nan 0.000 0.483 235 R N 1.877 122.317 120.500 -0.100 0.000 2.476 235 R HA 0.301 4.640 4.340 -0.002 0.000 0.276 235 R C -0.018 176.332 176.300 0.084 0.000 0.941 235 R CA 0.010 56.154 56.100 0.073 0.000 1.088 235 R CB 0.831 31.164 30.300 0.054 0.000 1.216 235 R HN 0.651 nan 8.270 nan 0.000 0.533 236 S N 0.159 115.758 115.700 -0.168 0.000 2.570 236 S HA 0.740 5.208 4.470 -0.002 0.000 0.286 236 S C -0.954 173.360 174.600 -0.477 0.000 1.099 236 S CA -0.479 57.657 58.200 -0.105 0.000 0.913 236 S CB 1.864 65.028 63.200 -0.061 0.000 1.085 236 S HN 0.022 nan 8.310 nan 0.000 0.480 237 F N 0.395 120.309 119.950 -0.060 0.000 2.601 237 F HA 0.759 5.284 4.527 -0.003 0.000 0.309 237 F C 0.035 175.750 175.800 -0.142 0.000 1.089 237 F CA -0.620 57.259 58.000 -0.201 0.000 0.940 237 F CB 1.932 40.623 39.000 -0.514 0.000 1.273 237 F HN 0.775 nan 8.300 nan 0.000 0.450 238 A N 1.341 124.149 122.820 -0.019 0.000 2.515 238 A HA 0.934 5.252 4.320 -0.002 0.000 0.296 238 A C -1.925 175.630 177.584 -0.048 0.000 1.094 238 A CA -0.813 51.190 52.037 -0.057 0.000 0.718 238 A CB 1.835 20.685 19.000 -0.251 0.000 1.307 238 A HN 0.523 nan 8.150 nan 0.000 0.408 239 V N 1.693 121.615 119.914 0.013 0.000 2.443 239 V HA 0.486 4.605 4.120 -0.002 0.000 0.293 239 V C -1.437 174.605 176.094 -0.086 0.000 1.021 239 V CA -0.437 61.775 62.300 -0.147 0.000 0.848 239 V CB 1.127 32.886 31.823 -0.107 0.000 0.998 239 V HN 0.667 nan 8.190 nan 0.000 0.424 240 F N 4.561 124.231 119.950 -0.466 0.000 2.415 240 F HA 0.608 5.138 4.527 0.004 0.000 0.348 240 F C 0.230 175.626 175.800 -0.674 0.000 1.119 240 F CA -1.545 56.255 58.000 -0.332 0.000 1.069 240 F CB 1.296 40.314 39.000 0.029 0.000 1.124 240 F HN 0.402 nan 8.300 nan 0.000 0.472 241 F N 0.803 120.780 119.950 0.046 0.000 2.764 241 F HA 0.142 4.666 4.527 -0.004 0.000 0.310 241 F C 0.356 176.175 175.800 0.032 0.000 1.124 241 F CA -0.937 57.046 58.000 -0.029 0.000 1.252 241 F CB -0.079 38.981 39.000 0.099 0.000 1.010 241 F HN 0.252 nan 8.300 nan 0.000 0.518 242 D N -1.135 119.358 120.400 0.155 0.000 2.313 242 D HA 0.131 4.770 4.640 -0.002 0.000 0.247 242 D C 0.054 176.544 176.300 0.316 0.000 1.094 242 D CA -0.170 53.947 54.000 0.195 0.000 0.925 242 D CB 0.941 41.550 40.800 -0.319 0.000 1.188 242 D HN 0.016 nan 8.370 nan 0.000 0.430 243 D N -0.739 119.919 120.400 0.429 0.000 2.723 243 D HA -0.167 4.471 4.640 -0.002 0.000 0.236 243 D C -0.064 176.405 176.300 0.282 0.000 1.138 243 D CA 0.792 55.024 54.000 0.386 0.000 0.676 243 D CB -1.862 39.160 40.800 0.370 0.000 1.069 243 D HN 0.611 nan 8.370 nan 0.000 0.430 244 I N -4.185 116.512 120.570 0.210 0.000 3.108 244 I HA 0.822 4.991 4.170 -0.002 0.000 0.312 244 I C -0.257 175.911 176.117 0.086 0.000 1.095 244 I CA -0.782 60.604 61.300 0.144 0.000 1.000 244 I CB 2.423 40.491 38.000 0.113 0.000 1.229 244 I HN -0.176 nan 8.210 nan 0.000 0.454 245 S N 1.044 116.783 115.700 0.065 0.000 2.570 245 S HA 0.940 5.409 4.470 -0.002 0.000 0.286 245 S C 0.011 174.636 174.600 0.041 0.000 1.099 245 S CA -0.105 58.117 58.200 0.036 0.000 0.913 245 S CB 1.237 64.451 63.200 0.024 0.000 1.085 245 S HN 1.701 nan 8.310 nan 0.000 0.480 246 G N 2.394 111.215 108.800 0.035 0.000 2.568 246 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.222 246 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.222 246 G C 0.464 175.416 174.900 0.087 0.000 1.321 246 G CA 0.236 45.364 45.100 0.047 0.000 0.893 246 G HN 0.873 nan 8.290 nan 0.000 0.569 247 E N -0.031 120.235 120.200 0.110 0.000 2.267 247 E HA 0.024 4.373 4.350 -0.002 0.000 0.197 247 E C 2.218 179.061 176.600 0.405 0.000 0.998 247 E CA 1.540 58.073 56.400 0.221 0.000 0.830 247 E CB -0.608 29.227 29.700 0.224 0.000 0.751 247 E HN 1.271 nan 8.360 nan 0.000 0.491 248 G N 1.432 110.356 108.800 0.208 0.000 2.615 248 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.213 248 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.213 248 G C 1.575 176.632 174.900 0.262 0.000 1.135 248 G CA 1.185 46.414 45.100 0.214 0.000 0.772 248 G HN 0.491 nan 8.290 nan 0.000 0.542 249 T N -2.729 111.949 114.554 0.206 0.000 3.044 249 T HA 0.128 4.477 4.350 -0.002 0.000 0.250 249 T C 0.973 175.766 174.700 0.155 0.000 1.081 249 T CA -0.392 61.793 62.100 0.143 0.000 1.040 249 T CB 0.025 68.940 68.868 0.079 0.000 0.962 249 T HN 0.117 nan 8.240 nan 0.000 0.506 250 N N 3.449 122.204 118.700 0.091 0.000 2.452 250 N HA 0.095 4.833 4.740 -0.002 0.000 0.266 250 N C -1.569 173.829 175.510 -0.186 0.000 1.209 250 N CA -1.462 51.559 53.050 -0.048 0.000 0.929 250 N CB 1.757 40.153 38.487 -0.152 0.000 1.063 250 N HN 0.132 nan 8.380 nan 0.000 0.472 251 P HA -0.085 nan 4.420 nan 0.000 0.224 251 P C 1.083 178.166 177.300 -0.363 0.000 1.157 251 P CA 0.739 63.603 63.100 -0.392 0.000 0.799 251 P CB 0.565 31.866 31.700 -0.666 0.000 0.809 252 Q N 0.910 120.524 119.800 -0.310 0.000 2.045 252 Q HA -0.165 4.174 4.340 -0.002 0.000 0.206 252 Q C 2.132 177.905 176.000 -0.378 0.000 0.991 252 Q CA 1.649 57.279 55.803 -0.288 0.000 0.851 252 Q CB -0.443 28.148 28.738 -0.245 0.000 0.911 252 Q HN 0.381 nan 8.270 nan 0.000 0.418 253 K N 0.381 120.430 120.400 -0.585 0.000 2.097 253 K HA -0.132 4.187 4.320 -0.002 0.000 0.205 253 K C 2.193 178.257 176.600 -0.892 0.000 1.050 253 K CA 0.883 56.605 56.287 -0.943 0.000 0.938 253 K CB -0.058 31.399 32.500 -1.738 0.000 0.718 253 K HN 0.306 nan 8.250 nan 0.000 0.442 254 Q N 0.509 119.898 119.800 -0.687 0.000 2.050 254 Q HA -0.141 4.198 4.340 -0.002 0.000 0.202 254 Q C 2.249 178.167 176.000 -0.137 0.000 0.980 254 Q CA 1.632 57.200 55.803 -0.392 0.000 0.840 254 Q CB -0.263 28.154 28.738 -0.536 0.000 0.898 254 Q HN 0.339 nan 8.270 nan 0.000 0.424 255 A N 1.391 124.105 122.820 -0.175 0.000 1.865 255 A HA -0.282 4.037 4.320 -0.002 0.000 0.217 255 A C 1.866 179.428 177.584 -0.038 0.000 1.191 255 A CA 1.869 53.856 52.037 -0.083 0.000 0.623 255 A CB -0.611 18.314 19.000 -0.124 0.000 0.826 255 A HN 0.380 nan 8.150 nan 0.000 0.444 256 E N -0.844 119.299 120.200 -0.096 0.000 2.118 256 E HA -0.201 4.148 4.350 -0.002 0.000 0.195 256 E C 1.952 178.583 176.600 0.052 0.000 0.992 256 E CA 1.251 57.627 56.400 -0.039 0.000 0.804 256 E CB -0.280 29.355 29.700 -0.109 0.000 0.741 256 E HN 0.524 nan 8.360 nan 0.000 0.458 257 L N 0.826 122.078 121.223 0.048 0.000 2.005 257 L HA -0.157 4.182 4.340 -0.002 0.000 0.207 257 L C 2.033 179.044 176.870 0.235 0.000 1.072 257 L CA 1.532 56.481 54.840 0.182 0.000 0.744 257 L CB -0.365 41.888 42.059 0.323 0.000 0.895 257 L HN 0.143 nan 8.230 nan 0.000 0.433 258 L N -0.050 121.302 121.223 0.215 0.000 2.083 258 L HA -0.179 4.160 4.340 -0.002 0.000 0.209 258 L C 2.329 179.315 176.870 0.194 0.000 1.083 258 L CA 1.398 56.374 54.840 0.227 0.000 0.752 258 L CB -1.564 40.632 42.059 0.228 0.000 0.899 258 L HN 0.426 nan 8.230 nan 0.000 0.433 259 N N -0.623 118.169 118.700 0.154 0.000 2.120 259 N HA -0.248 4.491 4.740 -0.002 0.000 0.188 259 N C 1.768 177.367 175.510 0.148 0.000 1.024 259 N CA 1.107 54.233 53.050 0.126 0.000 0.852 259 N CB -0.576 37.963 38.487 0.086 0.000 1.003 259 N HN 0.309 nan 8.380 nan 0.000 0.424 260 Y N 1.501 121.841 120.300 0.066 0.000 2.128 260 Y HA -0.134 4.414 4.550 -0.002 0.000 0.284 260 Y C 2.175 178.132 175.900 0.095 0.000 1.154 260 Y CA 1.480 59.621 58.100 0.068 0.000 1.149 260 Y CB -0.352 38.144 38.460 0.060 0.000 0.976 260 Y HN -0.005 nan 8.280 nan 0.000 0.505 261 I N -0.043 120.681 120.570 0.257 0.000 2.226 261 I HA -0.301 3.868 4.170 -0.002 0.000 0.245 261 I C 2.198 178.434 176.117 0.198 0.000 1.100 261 I CA 1.856 63.289 61.300 0.222 0.000 1.374 261 I CB -0.463 37.702 38.000 0.274 0.000 1.057 261 I HN 0.270 nan 8.210 nan 0.000 0.413 262 D N 0.884 121.380 120.400 0.160 0.000 2.097 262 D HA -0.202 4.437 4.640 -0.002 0.000 0.195 262 D C 2.050 178.382 176.300 0.053 0.000 0.989 262 D CA 1.630 55.705 54.000 0.126 0.000 0.827 262 D CB 0.087 40.955 40.800 0.113 0.000 0.966 262 D HN 0.336 nan 8.370 nan 0.000 0.456 263 E N -0.857 119.342 120.200 -0.002 0.000 2.122 263 E HA -0.032 4.317 4.350 -0.002 0.000 0.190 263 E C 1.682 178.216 176.600 -0.111 0.000 0.977 263 E CA 0.641 57.009 56.400 -0.054 0.000 0.820 263 E CB 0.184 29.847 29.700 -0.062 0.000 0.770 263 E HN 0.012 nan 8.360 nan 0.000 0.462 264 K N -0.932 119.345 120.400 -0.205 0.000 2.426 264 K HA 0.107 4.426 4.320 -0.002 0.000 0.193 264 K C 0.488 177.080 176.600 -0.014 0.000 1.028 264 K CA 0.310 56.465 56.287 -0.219 0.000 1.047 264 K CB 0.304 32.474 32.500 -0.551 0.000 0.821 264 K HN 0.060 nan 8.250 nan 0.000 0.513 265 F N -1.414 118.453 119.950 -0.138 0.000 1.881 265 F HA 0.293 4.819 4.527 -0.002 0.000 0.233 265 F C 1.626 177.372 175.800 -0.091 0.000 1.186 265 F CA 0.389 58.321 58.000 -0.114 0.000 1.298 265 F CB -0.483 38.471 39.000 -0.076 0.000 1.756 265 F HN -0.167 nan 8.300 nan 0.000 0.431 266 A N 0.243 123.030 122.820 -0.054 0.000 1.940 266 A HA -0.174 4.145 4.320 -0.002 0.000 0.219 266 A C 1.704 179.229 177.584 -0.098 0.000 1.176 266 A CA 1.886 53.861 52.037 -0.104 0.000 0.631 266 A CB -0.662 18.391 19.000 0.089 0.000 0.814 266 A HN 0.569 nan 8.150 nan 0.000 0.446 267 Q N -0.880 118.884 119.800 -0.060 0.000 2.403 267 Q HA 0.149 4.488 4.340 -0.002 0.000 0.203 267 Q C 1.536 177.488 176.000 -0.080 0.000 0.932 267 Q CA 0.567 56.341 55.803 -0.048 0.000 0.945 267 Q CB 0.180 28.905 28.738 -0.023 0.000 1.045 267 Q HN 0.487 nan 8.270 nan 0.000 0.511 268 V N -0.228 119.605 119.914 -0.136 0.000 3.621 268 V HA 0.073 4.192 4.120 -0.002 0.000 0.263 268 V C 0.528 176.509 176.094 -0.187 0.000 1.272 268 V CA 0.497 62.713 62.300 -0.141 0.000 1.080 268 V CB 0.398 32.143 31.823 -0.131 0.000 0.816 268 V HN 0.049 nan 8.190 nan 0.000 0.451 269 K N 1.406 121.647 120.400 -0.264 0.000 2.098 269 K HA 0.373 4.692 4.320 -0.002 0.000 0.258 269 K C -1.682 174.860 176.600 -0.096 0.000 0.973 269 K CA -1.921 54.213 56.287 -0.255 0.000 0.898 269 K CB 1.220 33.450 32.500 -0.451 0.000 1.057 269 K HN -0.075 nan 8.250 nan 0.000 0.447 270 P HA -0.075 nan 4.420 nan 0.000 0.229 270 P C -0.289 177.036 177.300 0.043 0.000 1.160 270 P CA 1.055 64.165 63.100 0.016 0.000 0.777 270 P CB 0.290 32.010 31.700 0.034 0.000 0.814 271 D N -1.396 119.051 120.400 0.078 0.000 2.914 271 D HA 0.159 4.798 4.640 -0.002 0.000 0.349 271 D C -0.146 176.230 176.300 0.127 0.000 1.540 271 D CA -0.422 53.636 54.000 0.096 0.000 0.778 271 D CB -0.973 39.882 40.800 0.092 0.000 1.213 271 D HN 0.130 nan 8.370 nan 0.000 0.451 272 I N 1.004 121.643 120.570 0.115 0.000 2.342 272 I HA 0.237 4.406 4.170 -0.002 0.000 0.291 272 I C 0.805 177.006 176.117 0.140 0.000 1.010 272 I CA -0.335 61.061 61.300 0.160 0.000 1.308 272 I CB 1.071 39.148 38.000 0.129 0.000 1.400 272 I HN -0.067 nan 8.210 nan 0.000 0.488 273 N N 4.153 122.941 118.700 0.148 0.000 2.349 273 N HA 0.049 4.788 4.740 -0.002 0.000 0.202 273 N C -0.273 175.313 175.510 0.128 0.000 1.041 273 N CA 0.097 53.228 53.050 0.135 0.000 0.970 273 N CB 0.086 38.649 38.487 0.127 0.000 1.173 273 N HN 0.567 nan 8.380 nan 0.000 0.493 274 Q N 0.625 120.469 119.800 0.074 0.000 2.256 274 Q HA 0.481 4.819 4.340 -0.002 0.000 0.257 274 Q C -1.484 174.566 176.000 0.082 0.000 0.936 274 Q CA -0.557 55.250 55.803 0.007 0.000 0.903 274 Q CB 2.510 31.134 28.738 -0.190 0.000 1.263 274 Q HN 0.162 nan 8.270 nan 0.000 0.440 275 L N 3.133 124.415 121.223 0.097 0.000 2.372 275 L HA 0.497 4.836 4.340 -0.002 0.000 0.274 275 L C -1.483 175.438 176.870 0.084 0.000 0.988 275 L CA -0.557 54.368 54.840 0.141 0.000 0.833 275 L CB 1.786 43.960 42.059 0.191 0.000 1.236 275 L HN 0.414 nan 8.230 nan 0.000 0.410 276 V N 5.228 125.169 119.914 0.045 0.000 2.960 276 V HA 0.749 4.868 4.120 -0.002 0.000 0.315 276 V C -0.072 176.087 176.094 0.108 0.000 1.087 276 V CA -0.619 61.665 62.300 -0.026 0.000 0.982 276 V CB 1.908 33.578 31.823 -0.255 0.000 1.039 276 V HN 0.906 nan 8.190 nan 0.000 0.437 277 M N 1.826 121.513 119.600 0.145 0.000 2.618 277 M HA 0.786 5.265 4.480 -0.002 0.000 0.281 277 M C -1.253 175.209 176.300 0.270 0.000 1.267 277 M CA -0.251 55.206 55.300 0.262 0.000 0.845 277 M CB 1.922 34.701 32.600 0.299 0.000 1.732 277 M HN 0.495 nan 8.290 nan 0.000 0.461 278 C N 3.518 123.002 119.300 0.307 0.000 2.301 278 C HA 0.807 5.266 4.460 -0.002 0.000 0.323 278 C C -2.394 172.778 174.990 0.304 0.000 1.265 278 C CA -1.393 57.720 59.018 0.159 0.000 1.503 278 C CB 1.244 28.874 27.740 -0.185 0.000 2.195 278 C HN 0.718 nan 8.230 nan 0.000 0.477 279 P HA 0.158 nan 4.420 nan 0.000 0.272 279 P C 0.664 178.198 177.300 0.390 0.000 1.223 279 P CA 0.342 63.747 63.100 0.510 0.000 0.784 279 P CB 0.700 32.773 31.700 0.622 0.000 0.923 280 T N 0.231 114.952 114.554 0.277 0.000 2.759 280 T HA -0.130 4.219 4.350 -0.002 0.000 0.269 280 T C 0.490 175.141 174.700 -0.082 0.000 1.042 280 T CA 1.473 63.611 62.100 0.063 0.000 1.140 280 T CB -0.303 68.545 68.868 -0.033 0.000 0.864 280 T HN 0.530 nan 8.240 nan 0.000 0.455 281 E N 1.377 121.341 120.200 -0.394 0.000 2.014 281 E HA 0.195 4.544 4.350 -0.002 0.000 0.275 281 E C -0.470 176.261 176.600 0.219 0.000 0.997 281 E CA -0.331 55.990 56.400 -0.132 0.000 0.804 281 E CB 0.445 30.032 29.700 -0.189 0.000 1.090 281 E HN 0.684 nan 8.360 nan 0.000 0.401 282 Y N 1.563 121.885 120.300 0.036 0.000 2.531 282 Y HA 0.291 4.846 4.550 0.007 0.000 0.249 282 Y C -0.457 174.934 175.900 -0.849 0.000 1.168 282 Y CA -1.073 56.945 58.100 -0.136 0.000 1.226 282 Y CB -0.022 38.275 38.460 -0.271 0.000 1.177 282 Y HN 0.305 nan 8.280 nan 0.000 0.527 283 N N -1.701 116.400 118.700 -0.997 0.000 2.598 283 N HA 0.172 4.911 4.740 -0.002 0.000 0.263 283 N C -0.079 175.061 175.510 -0.617 0.000 1.254 283 N CA -1.046 51.166 53.050 -1.397 0.000 0.863 283 N CB 1.597 39.505 38.487 -0.965 0.000 1.586 283 N HN -0.015 nan 8.380 nan 0.000 0.491 284 K N 0.444 120.633 120.400 -0.352 0.000 2.015 284 K HA -0.277 4.042 4.320 -0.002 0.000 0.216 284 K C 1.681 178.206 176.600 -0.125 0.000 1.052 284 K CA 2.634 58.826 56.287 -0.158 0.000 0.937 284 K CB -0.410 31.789 32.500 -0.502 0.000 0.719 284 K HN 0.685 nan 8.250 nan 0.000 0.446 285 S N -0.580 115.026 115.700 -0.156 0.000 2.402 285 S HA -0.183 4.286 4.470 -0.002 0.000 0.233 285 S C 1.572 176.254 174.600 0.136 0.000 1.030 285 S CA 1.247 59.428 58.200 -0.032 0.000 1.003 285 S CB -0.545 62.629 63.200 -0.042 0.000 0.813 285 S HN 0.504 nan 8.310 nan 0.000 0.477 286 W N 2.751 123.881 121.300 -0.282 0.000 3.180 286 W HA 0.462 5.096 4.660 -0.043 0.000 0.254 286 W C 1.138 177.547 176.519 -0.184 0.000 1.318 286 W CA -0.559 56.607 57.345 -0.299 0.000 1.608 286 W CB -0.906 28.225 29.460 -0.547 0.000 1.124 286 W HN 0.383 nan 8.180 nan 0.000 0.694 287 S N 1.650 117.428 115.700 0.129 0.000 2.489 287 S HA 0.140 4.608 4.470 -0.002 0.000 0.277 287 S C 0.156 174.830 174.600 0.123 0.000 1.230 287 S CA -0.689 57.622 58.200 0.184 0.000 1.053 287 S CB 0.468 63.933 63.200 0.441 0.000 0.955 287 S HN 0.097 nan 8.310 nan 0.000 0.488 288 N N 5.964 124.709 118.700 0.075 0.000 2.416 288 N HA 0.135 4.874 4.740 -0.002 0.000 0.271 288 N C -1.131 174.434 175.510 0.093 0.000 1.245 288 N CA -1.685 51.394 53.050 0.048 0.000 0.940 288 N CB 0.787 39.288 38.487 0.024 0.000 1.175 288 N HN 0.498 nan 8.380 nan 0.000 0.483 289 P HA -0.211 nan 4.420 nan 0.000 0.221 289 P C 0.422 177.772 177.300 0.084 0.000 1.160 289 P CA 1.495 64.656 63.100 0.101 0.000 0.933 289 P CB 0.272 32.011 31.700 0.065 0.000 0.793 290 N N -0.529 118.203 118.700 0.053 0.000 2.434 290 N HA 0.113 4.852 4.740 -0.002 0.000 0.196 290 N C 0.951 176.484 175.510 0.038 0.000 1.183 290 N CA 0.505 53.578 53.050 0.039 0.000 0.849 290 N CB -0.050 38.451 38.487 0.022 0.000 0.992 290 N HN 0.232 nan 8.380 nan 0.000 0.460 291 G N -0.909 107.924 108.800 0.055 0.000 3.013 291 G HA2 0.237 4.196 3.960 -0.002 0.000 0.278 291 G HA3 0.237 4.196 3.960 -0.002 0.000 0.278 291 G C 0.238 175.178 174.900 0.068 0.000 1.353 291 G CA -0.502 44.633 45.100 0.058 0.000 1.043 291 G HN 0.096 nan 8.290 nan 0.000 0.523 292 N N -2.195 116.547 118.700 0.070 0.000 2.250 292 N HA 0.073 4.812 4.740 -0.002 0.000 0.190 292 N C 1.331 176.871 175.510 0.049 0.000 1.116 292 N CA -0.334 52.737 53.050 0.035 0.000 0.881 292 N CB 0.191 38.676 38.487 -0.003 0.000 1.006 292 N HN 0.540 nan 8.380 nan 0.000 0.491 293 Y N 1.157 121.457 120.300 0.001 0.000 2.030 293 Y HA -0.292 4.260 4.550 0.003 0.000 0.272 293 Y C 1.555 177.460 175.900 0.008 0.000 1.185 293 Y CA 1.854 59.959 58.100 0.008 0.000 1.120 293 Y CB -0.076 38.408 38.460 0.040 0.000 0.955 293 Y HN 0.081 nan 8.280 nan 0.000 0.495 294 L N -1.059 120.266 121.223 0.171 0.000 2.249 294 L HA -0.089 4.249 4.340 -0.002 0.000 0.207 294 L C 2.498 179.324 176.870 -0.073 0.000 1.090 294 L CA 1.264 56.163 54.840 0.098 0.000 0.802 294 L CB -0.575 41.588 42.059 0.173 0.000 0.947 294 L HN 0.382 nan 8.230 nan 0.000 0.453 295 T N -4.891 109.610 114.554 -0.087 0.000 2.951 295 T HA -0.126 4.222 4.350 -0.002 0.000 0.268 295 T C 1.779 176.409 174.700 -0.116 0.000 1.073 295 T CA 1.414 63.448 62.100 -0.110 0.000 1.134 295 T CB -0.495 68.311 68.868 -0.104 0.000 0.884 295 T HN 0.112 nan 8.240 nan 0.000 0.479 296 T N 2.214 116.685 114.554 -0.139 0.000 2.746 296 T HA 0.118 4.466 4.350 -0.002 0.000 0.267 296 T C 1.837 176.424 174.700 -0.189 0.000 1.039 296 T CA 0.961 62.962 62.100 -0.166 0.000 1.142 296 T CB -0.423 68.322 68.868 -0.204 0.000 0.866 296 T HN 0.267 nan 8.240 nan 0.000 0.444 297 L N 0.411 121.488 121.223 -0.242 0.000 2.056 297 L HA 0.004 4.343 4.340 -0.002 0.000 0.207 297 L C 2.968 179.776 176.870 -0.103 0.000 1.078 297 L CA 1.425 56.145 54.840 -0.201 0.000 0.749 297 L CB -0.925 40.999 42.059 -0.227 0.000 0.901 297 L HN 0.375 nan 8.230 nan 0.000 0.433 298 G N -0.576 108.168 108.800 -0.093 0.000 2.408 298 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.217 298 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.217 298 G C 1.072 175.937 174.900 -0.059 0.000 1.150 298 G CA 0.714 45.774 45.100 -0.066 0.000 0.776 298 G HN 0.298 nan 8.290 nan 0.000 0.542 299 D N 0.630 120.986 120.400 -0.073 0.000 2.084 299 D HA -0.030 4.609 4.640 -0.002 0.000 0.194 299 D C 2.444 178.712 176.300 -0.054 0.000 0.990 299 D CA 0.892 54.854 54.000 -0.063 0.000 0.826 299 D CB -0.038 40.719 40.800 -0.070 0.000 0.971 299 D HN 0.186 nan 8.370 nan 0.000 0.453 300 K N -0.134 120.224 120.400 -0.069 0.000 2.314 300 K HA 0.126 4.445 4.320 -0.002 0.000 0.198 300 K C 0.830 177.407 176.600 -0.038 0.000 1.045 300 K CA -0.129 56.121 56.287 -0.062 0.000 0.988 300 K CB 0.528 32.974 32.500 -0.091 0.000 0.783 300 K HN 0.187 nan 8.250 nan 0.000 0.484 301 L N 3.081 124.287 121.223 -0.030 0.000 2.367 301 L HA 0.058 4.397 4.340 -0.002 0.000 0.275 301 L C -0.093 176.792 176.870 0.025 0.000 1.129 301 L CA -0.279 54.565 54.840 0.006 0.000 0.839 301 L CB 0.448 42.519 42.059 0.019 0.000 1.133 301 L HN 0.096 nan 8.230 nan 0.000 0.453 302 N N 6.201 124.926 118.700 0.042 0.000 2.293 302 N HA -0.047 4.692 4.740 -0.002 0.000 0.253 302 N C -1.464 174.079 175.510 0.055 0.000 1.248 302 N CA -0.967 52.111 53.050 0.047 0.000 0.845 302 N CB 0.338 38.860 38.487 0.059 0.000 1.073 302 N HN 0.389 nan 8.380 nan 0.000 0.464 303 P HA -0.144 nan 4.420 nan 0.000 0.221 303 P C 0.840 178.187 177.300 0.078 0.000 1.145 303 P CA 1.229 64.361 63.100 0.054 0.000 0.795 303 P CB 0.133 31.857 31.700 0.040 0.000 0.775 304 S N -1.192 114.560 115.700 0.086 0.000 2.522 304 S HA 0.023 4.492 4.470 -0.002 0.000 0.227 304 S C 1.019 175.701 174.600 0.136 0.000 0.986 304 S CA -0.066 58.200 58.200 0.111 0.000 0.929 304 S CB -0.955 62.306 63.200 0.102 0.000 0.769 304 S HN 0.058 nan 8.310 nan 0.000 0.529 305 I N 3.049 123.695 120.570 0.126 0.000 2.352 305 I HA 0.211 4.379 4.170 -0.002 0.000 0.290 305 I C 0.020 176.227 176.117 0.150 0.000 1.036 305 I CA -0.618 60.764 61.300 0.138 0.000 1.336 305 I CB 0.694 38.775 38.000 0.134 0.000 1.407 305 I HN 0.149 nan 8.210 nan 0.000 0.497 306 Q N 6.510 126.405 119.800 0.158 0.000 2.340 306 Q HA 0.503 4.842 4.340 -0.002 0.000 0.249 306 Q C -0.481 175.614 176.000 0.160 0.000 0.957 306 Q CA -0.091 55.828 55.803 0.193 0.000 0.882 306 Q CB 2.033 30.886 28.738 0.190 0.000 1.235 306 Q HN 0.547 nan 8.270 nan 0.000 0.439 307 I N 2.306 123.006 120.570 0.216 0.000 2.418 307 I HA 0.303 4.472 4.170 -0.002 0.000 0.287 307 I C -0.019 176.280 176.117 0.303 0.000 1.008 307 I CA -0.417 61.018 61.300 0.226 0.000 1.104 307 I CB 1.354 39.472 38.000 0.196 0.000 1.264 307 I HN 0.346 nan 8.210 nan 0.000 0.438 308 M N 5.457 125.231 119.600 0.289 0.000 2.255 308 M HA 0.327 4.806 4.480 -0.002 0.000 0.336 308 M C -0.899 175.673 176.300 0.453 0.000 1.135 308 M CA 0.128 55.639 55.300 0.353 0.000 1.145 308 M CB 1.605 34.356 32.600 0.252 0.000 1.473 308 M HN 0.574 nan 8.290 nan 0.000 0.462 309 W N 1.528 122.934 121.300 0.176 0.000 3.624 309 W HA 0.181 4.846 4.660 0.009 0.000 0.312 309 W C -0.229 176.343 176.519 0.088 0.000 1.203 309 W CA -0.529 56.896 57.345 0.133 0.000 1.225 309 W CB 1.752 31.315 29.460 0.173 0.000 1.321 309 W HN 0.817 nan 8.180 nan 0.000 0.506 310 T N 1.287 115.569 114.554 -0.454 0.000 3.044 310 T HA 0.474 4.823 4.350 -0.002 0.000 0.250 310 T C 0.783 175.266 174.700 -0.362 0.000 1.081 310 T CA 1.237 63.118 62.100 -0.364 0.000 1.040 310 T CB 0.742 69.334 68.868 -0.460 0.000 0.962 310 T HN 1.211 nan 8.240 nan 0.000 0.506 311 G N 1.029 109.415 108.800 -0.690 0.000 2.265 311 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.246 311 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.246 311 G C -0.767 173.911 174.900 -0.369 0.000 1.299 311 G CA 0.036 44.980 45.100 -0.260 0.000 1.117 311 G HN 0.142 nan 8.290 nan 0.000 0.485 312 D N 1.212 121.513 120.400 -0.165 0.000 2.355 312 D HA 0.172 4.811 4.640 -0.002 0.000 0.218 312 D C 1.289 177.415 176.300 -0.291 0.000 1.004 312 D CA 1.016 54.901 54.000 -0.191 0.000 0.880 312 D CB 0.363 41.096 40.800 -0.111 0.000 0.911 312 D HN 0.439 nan 8.370 nan 0.000 0.528 313 R N -1.383 118.896 120.500 -0.368 0.000 2.747 313 R HA 0.261 4.600 4.340 -0.002 0.000 0.272 313 R C 0.907 176.864 176.300 -0.572 0.000 1.032 313 R CA -0.760 55.083 56.100 -0.428 0.000 0.896 313 R CB 1.088 31.220 30.300 -0.281 0.000 1.253 313 R HN -0.300 nan 8.270 nan 0.000 0.461 314 V N 1.181 120.661 119.914 -0.723 0.000 2.219 314 V HA -0.163 3.956 4.120 -0.002 0.000 0.248 314 V C 1.104 176.772 176.094 -0.711 0.000 1.053 314 V CA 1.649 63.468 62.300 -0.801 0.000 1.009 314 V CB -0.257 30.953 31.823 -1.022 0.000 0.636 314 V HN 0.449 nan 8.190 nan 0.000 0.445 315 I N 1.013 121.124 120.570 -0.766 0.000 2.315 315 I HA 0.558 4.726 4.170 -0.002 0.000 0.291 315 I C 0.004 175.789 176.117 -0.553 0.000 1.006 315 I CA 0.601 61.452 61.300 -0.748 0.000 1.265 315 I CB 0.369 37.826 38.000 -0.904 0.000 1.387 315 I HN 0.410 nan 8.210 nan 0.000 0.475 316 S N 5.196 120.642 115.700 -0.424 0.000 2.597 316 S HA 0.420 4.889 4.470 -0.002 0.000 0.274 316 S C -1.685 173.053 174.600 0.231 0.000 1.132 316 S CA -0.896 57.264 58.200 -0.066 0.000 0.835 316 S CB 1.994 65.136 63.200 -0.096 0.000 1.092 316 S HN 0.483 nan 8.310 nan 0.000 0.457 317 D N 1.700 122.267 120.400 0.278 0.000 2.229 317 D HA 0.429 5.068 4.640 -0.002 0.000 0.249 317 D C -0.071 176.302 176.300 0.123 0.000 1.027 317 D CA -0.387 53.769 54.000 0.259 0.000 0.923 317 D CB 0.872 41.768 40.800 0.160 0.000 1.174 317 D HN 0.540 nan 8.370 nan 0.000 0.443 318 I N 1.947 122.545 120.570 0.047 0.000 2.291 318 I HA 0.091 4.260 4.170 -0.002 0.000 0.292 318 I C 1.181 177.355 176.117 0.096 0.000 1.064 318 I CA -0.326 61.043 61.300 0.114 0.000 1.269 318 I CB -0.458 37.659 38.000 0.194 0.000 1.418 318 I HN 0.253 nan 8.210 nan 0.000 0.485 319 T N 3.006 117.628 114.554 0.114 0.000 2.897 319 T HA 0.405 4.753 4.350 -0.002 0.000 0.278 319 T C 1.130 175.899 174.700 0.115 0.000 0.981 319 T CA -0.633 61.526 62.100 0.099 0.000 0.973 319 T CB 2.075 70.996 68.868 0.087 0.000 1.092 319 T HN 0.618 nan 8.240 nan 0.000 0.543 320 R N -0.197 120.361 120.500 0.096 0.000 2.093 320 R HA -0.038 4.301 4.340 -0.002 0.000 0.224 320 R C 1.342 177.707 176.300 0.108 0.000 1.101 320 R CA 1.228 57.385 56.100 0.094 0.000 0.979 320 R CB -0.440 29.903 30.300 0.072 0.000 0.877 320 R HN 0.693 nan 8.270 nan 0.000 0.441 321 D N -0.231 120.233 120.400 0.107 0.000 2.084 321 D HA -0.090 4.549 4.640 -0.002 0.000 0.194 321 D C 1.735 178.142 176.300 0.177 0.000 0.990 321 D CA 1.667 55.743 54.000 0.126 0.000 0.826 321 D CB -0.616 40.244 40.800 0.101 0.000 0.971 321 D HN 0.437 nan 8.370 nan 0.000 0.453 322 G N 0.710 109.611 108.800 0.169 0.000 2.491 322 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.218 322 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.218 322 G C 1.671 176.755 174.900 0.307 0.000 1.180 322 G CA 0.692 45.933 45.100 0.235 0.000 0.774 322 G HN 0.258 nan 8.290 nan 0.000 0.562 323 I N 1.122 121.833 120.570 0.236 0.000 2.286 323 I HA -0.105 4.064 4.170 -0.002 0.000 0.248 323 I C 2.866 179.055 176.117 0.120 0.000 1.115 323 I CA 1.484 62.894 61.300 0.184 0.000 1.392 323 I CB -0.176 37.918 38.000 0.157 0.000 1.065 323 I HN 0.110 nan 8.210 nan 0.000 0.418 324 S N -0.623 115.157 115.700 0.133 0.000 2.368 324 S HA -0.246 4.223 4.470 -0.002 0.000 0.225 324 S C 1.627 176.287 174.600 0.099 0.000 1.030 324 S CA 1.518 59.774 58.200 0.094 0.000 0.999 324 S CB -0.716 62.542 63.200 0.097 0.000 0.844 324 S HN 0.712 nan 8.310 nan 0.000 0.459 325 W N 1.729 123.019 121.300 -0.017 0.000 2.355 325 W HA -0.102 4.581 4.660 0.039 0.000 0.309 325 W C 1.924 178.361 176.519 -0.138 0.000 1.206 325 W CA 0.890 58.216 57.345 -0.031 0.000 1.284 325 W CB -0.354 29.128 29.460 0.037 0.000 1.145 325 W HN 0.217 nan 8.180 nan 0.000 0.502 326 I N 1.728 122.368 120.570 0.117 0.000 2.252 326 I HA -0.280 3.889 4.170 -0.002 0.000 0.245 326 I C 1.773 177.677 176.117 -0.354 0.000 1.102 326 I CA 1.821 62.883 61.300 -0.397 0.000 1.385 326 I CB -0.944 36.356 38.000 -1.167 0.000 1.064 326 I HN -0.038 nan 8.210 nan 0.000 0.414 327 N N 0.940 119.522 118.700 -0.197 0.000 2.166 327 N HA -0.163 4.575 4.740 -0.002 0.000 0.186 327 N C 1.703 177.120 175.510 -0.155 0.000 1.019 327 N CA 1.171 54.139 53.050 -0.136 0.000 0.856 327 N CB -0.397 38.055 38.487 -0.058 0.000 0.993 327 N HN 0.389 nan 8.380 nan 0.000 0.426 328 E N 0.516 120.604 120.200 -0.186 0.000 2.219 328 E HA -0.149 4.200 4.350 -0.002 0.000 0.198 328 E C 1.655 178.113 176.600 -0.236 0.000 0.998 328 E CA 0.898 57.179 56.400 -0.200 0.000 0.818 328 E CB 0.016 29.576 29.700 -0.232 0.000 0.741 328 E HN 0.450 nan 8.360 nan 0.000 0.477 329 R N -0.180 120.136 120.500 -0.306 0.000 2.167 329 R HA 0.172 4.511 4.340 -0.002 0.000 0.201 329 R C 2.401 178.586 176.300 -0.192 0.000 1.024 329 R CA 0.425 56.351 56.100 -0.291 0.000 1.053 329 R CB 0.075 30.121 30.300 -0.423 0.000 0.987 329 R HN 0.179 nan 8.270 nan 0.000 0.493 330 I N -1.261 119.204 120.570 -0.175 0.000 3.793 330 I HA 0.169 4.338 4.170 -0.002 0.000 0.315 330 I C -0.413 175.663 176.117 -0.067 0.000 1.275 330 I CA -0.135 61.104 61.300 -0.102 0.000 1.214 330 I CB 0.326 38.281 38.000 -0.075 0.000 1.018 330 I HN -0.120 nan 8.210 nan 0.000 0.439 331 K N 2.340 122.691 120.400 -0.082 0.000 3.069 331 K HA -0.203 4.116 4.320 -0.002 0.000 0.267 331 K C -0.271 176.313 176.600 -0.026 0.000 1.082 331 K CA 1.173 57.426 56.287 -0.055 0.000 0.782 331 K CB -1.894 30.576 32.500 -0.049 0.000 1.230 331 K HN 0.896 nan 8.250 nan 0.000 0.488 332 R N -2.789 117.700 120.500 -0.019 0.000 2.741 332 R HA 0.445 4.784 4.340 -0.002 0.000 0.276 332 R C -3.361 172.951 176.300 0.020 0.000 1.028 332 R CA -1.867 54.241 56.100 0.014 0.000 0.865 332 R CB 0.766 31.093 30.300 0.046 0.000 1.268 332 R HN -0.285 nan 8.270 nan 0.000 0.475 333 P HA 0.138 nan 4.420 nan 0.000 0.276 333 P C -0.381 176.983 177.300 0.108 0.000 1.264 333 P CA 0.009 63.145 63.100 0.059 0.000 0.769 333 P CB 0.909 32.643 31.700 0.057 0.000 0.840 334 A N 4.230 127.106 122.820 0.093 0.000 2.561 334 A HA -0.038 4.281 4.320 -0.002 0.000 0.234 334 A C -0.463 177.280 177.584 0.265 0.000 1.055 334 A CA 0.281 52.419 52.037 0.168 0.000 0.756 334 A CB -0.547 18.527 19.000 0.124 0.000 0.986 334 A HN 0.598 nan 8.150 nan 0.000 0.505 335 Y N 3.576 124.004 120.300 0.213 0.000 2.454 335 Y HA 0.374 4.921 4.550 -0.004 0.000 0.345 335 Y C -0.033 176.002 175.900 0.225 0.000 0.970 335 Y CA -0.966 57.268 58.100 0.223 0.000 1.204 335 Y CB 0.454 39.046 38.460 0.221 0.000 1.122 335 Y HN 0.485 nan 8.280 nan 0.000 0.514 336 I N 6.560 127.266 120.570 0.226 0.000 2.471 336 I HA -0.101 4.068 4.170 -0.002 0.000 0.286 336 I C -0.317 175.861 176.117 0.101 0.000 1.079 336 I CA -0.231 61.140 61.300 0.119 0.000 1.398 336 I CB 0.312 38.202 38.000 -0.183 0.000 1.403 336 I HN 0.712 nan 8.210 nan 0.000 0.530 337 W N 9.465 130.736 121.300 -0.049 0.000 2.282 337 W HA 0.221 4.885 4.660 0.006 0.000 0.322 337 W C -1.398 175.036 176.519 -0.141 0.000 1.011 337 W CA -1.776 55.497 57.345 -0.120 0.000 1.392 337 W CB 0.953 30.309 29.460 -0.173 0.000 1.215 337 W HN 0.549 nan 8.180 nan 0.000 0.394 338 W N 8.273 129.512 121.300 -0.102 0.000 2.311 338 W HA 0.293 4.947 4.660 -0.010 0.000 0.317 338 W C 0.281 176.823 176.519 0.037 0.000 1.065 338 W CA -0.801 56.472 57.345 -0.120 0.000 1.364 338 W CB 0.450 29.734 29.460 -0.292 0.000 1.233 338 W HN 0.247 nan 8.180 nan 0.000 0.409 339 N N 6.795 125.344 118.700 -0.252 0.000 3.103 339 N HA 0.043 4.782 4.740 -0.002 0.000 0.305 339 N C -1.489 173.692 175.510 -0.548 0.000 1.232 339 N CA 0.433 53.301 53.050 -0.303 0.000 1.190 339 N CB -0.492 37.833 38.487 -0.269 0.000 1.461 339 N HN 0.309 nan 8.380 nan 0.000 0.538 340 F N 1.354 120.788 119.950 -0.861 0.000 2.622 340 F HA 0.318 4.842 4.527 -0.005 0.000 0.318 340 F C -2.373 173.160 175.800 -0.446 0.000 1.135 340 F CA -1.764 55.735 58.000 -0.835 0.000 1.015 340 F CB 2.490 40.571 39.000 -1.531 0.000 1.275 340 F HN -0.016 nan 8.300 nan 0.000 0.457 341 P HA 0.096 nan 4.420 nan 0.000 0.254 341 P C -0.011 176.881 177.300 -0.679 0.000 1.620 341 P CA 0.181 62.432 63.100 -1.415 0.000 1.050 341 P CB 0.588 31.637 31.700 -1.085 0.000 1.539 342 V N 1.784 121.463 119.914 -0.391 0.000 2.814 342 V HA 0.007 4.126 4.120 -0.002 0.000 0.307 342 V C 1.187 177.151 176.094 -0.217 0.000 1.089 342 V CA 1.659 63.837 62.300 -0.204 0.000 1.212 342 V CB 0.540 32.344 31.823 -0.032 0.000 0.912 342 V HN 0.438 nan 8.190 nan 0.000 0.497 343 S N 1.340 116.898 115.700 -0.237 0.000 3.009 343 S HA 0.148 4.617 4.470 -0.002 0.000 0.254 343 S C 0.587 175.028 174.600 -0.265 0.000 1.004 343 S CA 0.122 58.120 58.200 -0.335 0.000 1.119 343 S CB 0.044 63.091 63.200 -0.255 0.000 1.075 343 S HN 0.939 nan 8.310 nan 0.000 0.618 344 D N 1.519 121.871 120.400 -0.079 0.000 2.378 344 D HA -0.093 4.546 4.640 -0.002 0.000 0.227 344 D C 0.960 177.319 176.300 0.099 0.000 1.012 344 D CA 0.263 54.286 54.000 0.037 0.000 0.905 344 D CB -0.709 40.181 40.800 0.149 0.000 0.895 344 D HN 0.764 nan 8.370 nan 0.000 0.532 345 Y N -1.163 119.151 120.300 0.024 0.000 2.557 345 Y HA 0.410 4.967 4.550 0.012 0.000 0.247 345 Y C 0.243 176.167 175.900 0.040 0.000 1.164 345 Y CA -0.828 57.272 58.100 -0.000 0.000 1.218 345 Y CB 0.242 38.688 38.460 -0.022 0.000 1.210 345 Y HN -0.042 nan 8.280 nan 0.000 0.529 346 V N -1.721 117.997 119.914 -0.327 0.000 2.637 346 V HA 0.448 4.567 4.120 -0.002 0.000 0.296 346 V C 0.551 176.659 176.094 0.023 0.000 1.118 346 V CA -0.795 61.418 62.300 -0.145 0.000 1.230 346 V CB 0.209 31.852 31.823 -0.300 0.000 1.360 346 V HN 0.262 nan 8.190 nan 0.000 0.620 347 R N 1.240 121.793 120.500 0.090 0.000 2.328 347 R HA -0.034 4.304 4.340 -0.002 0.000 0.207 347 R C 1.274 177.764 176.300 0.318 0.000 1.056 347 R CA 1.374 57.570 56.100 0.160 0.000 1.016 347 R CB 0.045 30.448 30.300 0.171 0.000 0.872 347 R HN 0.863 nan 8.270 nan 0.000 0.471 348 D N -1.059 119.533 120.400 0.319 0.000 2.339 348 D HA -0.046 4.592 4.640 -0.002 0.000 0.217 348 D C 0.258 176.842 176.300 0.474 0.000 1.050 348 D CA 0.373 54.597 54.000 0.374 0.000 0.856 348 D CB -0.012 40.892 40.800 0.173 0.000 0.922 348 D HN 0.171 nan 8.370 nan 0.000 0.518 349 H N 0.041 119.299 119.070 0.313 0.000 2.529 349 H HA 0.442 5.000 4.556 0.003 0.000 0.348 349 H C -0.356 174.882 175.328 -0.151 0.000 1.152 349 H CA -0.772 55.370 56.048 0.157 0.000 1.202 349 H CB 2.333 32.122 29.762 0.045 0.000 1.562 349 H HN -0.067 nan 8.280 nan 0.000 0.515 350 L N 3.865 124.900 121.223 -0.313 0.000 2.307 350 L HA 0.328 4.667 4.340 -0.002 0.000 0.284 350 L C -0.263 176.486 176.870 -0.203 0.000 1.023 350 L CA -0.664 53.900 54.840 -0.460 0.000 0.810 350 L CB 1.314 42.892 42.059 -0.802 0.000 1.231 350 L HN 0.332 nan 8.230 nan 0.000 0.423 351 L N 5.862 126.981 121.223 -0.173 0.000 2.356 351 L HA 0.354 4.692 4.340 -0.002 0.000 0.264 351 L C 0.292 177.134 176.870 -0.047 0.000 1.029 351 L CA -0.124 54.664 54.840 -0.086 0.000 0.897 351 L CB 0.710 42.654 42.059 -0.191 0.000 1.256 351 L HN 0.648 nan 8.230 nan 0.000 0.444 352 L N 1.507 122.748 121.223 0.030 0.000 2.857 352 L HA 0.340 4.679 4.340 -0.002 0.000 0.249 352 L C 1.348 178.433 176.870 0.358 0.000 1.172 352 L CA -0.226 54.688 54.840 0.124 0.000 0.980 352 L CB 0.349 42.414 42.059 0.009 0.000 1.299 352 L HN 0.598 nan 8.230 nan 0.000 0.535 353 G N 1.104 110.068 108.800 0.274 0.000 2.651 353 G HA2 0.317 4.275 3.960 -0.002 0.000 0.260 353 G HA3 0.317 4.275 3.960 -0.002 0.000 0.260 353 G C -2.401 172.521 174.900 0.037 0.000 1.216 353 G CA -0.734 44.419 45.100 0.090 0.000 0.913 353 G HN -0.108 nan 8.290 nan 0.000 0.535 354 P HA 0.142 nan 4.420 nan 0.000 0.272 354 P C -0.342 176.982 177.300 0.039 0.000 1.230 354 P CA -0.289 62.599 63.100 -0.354 0.000 0.788 354 P CB 1.097 32.164 31.700 -1.055 0.000 0.949 355 V N 4.183 124.222 119.914 0.208 0.000 2.432 355 V HA 0.285 4.404 4.120 -0.002 0.000 0.271 355 V C 0.017 176.213 176.094 0.170 0.000 1.046 355 V CA 0.444 62.882 62.300 0.231 0.000 0.945 355 V CB -0.831 31.219 31.823 0.378 0.000 0.992 355 V HN 0.651 nan 8.190 nan 0.000 0.471 356 Y N 2.117 122.358 120.300 -0.098 0.000 2.725 356 Y HA 0.801 5.351 4.550 0.000 0.000 0.333 356 Y C 0.655 176.468 175.900 -0.145 0.000 1.242 356 Y CA -0.435 57.583 58.100 -0.136 0.000 1.059 356 Y CB 1.360 39.721 38.460 -0.164 0.000 1.306 356 Y HN 0.748 nan 8.280 nan 0.000 0.454 357 G N 0.772 109.570 108.800 -0.003 0.000 2.232 357 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.226 357 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.226 357 G C -0.738 174.101 174.900 -0.102 0.000 0.996 357 G CA -0.087 44.991 45.100 -0.037 0.000 0.626 357 G HN 0.721 nan 8.290 nan 0.000 0.509 358 N N 1.947 120.469 118.700 -0.295 0.000 2.434 358 N HA 0.326 5.065 4.740 -0.002 0.000 0.272 358 N C -0.675 174.767 175.510 -0.114 0.000 1.040 358 N CA -0.354 52.490 53.050 -0.342 0.000 0.956 358 N CB 1.387 39.337 38.487 -0.895 0.000 1.108 358 N HN 0.342 nan 8.380 nan 0.000 0.481 359 D N 0.956 121.371 120.400 0.024 0.000 2.493 359 D HA -0.055 4.584 4.640 -0.002 0.000 0.240 359 D C 0.818 177.214 176.300 0.160 0.000 1.142 359 D CA 0.552 54.605 54.000 0.089 0.000 0.872 359 D CB 0.900 41.748 40.800 0.081 0.000 1.173 359 D HN 0.546 nan 8.370 nan 0.000 0.467 360 T N -0.841 113.798 114.554 0.141 0.000 3.086 360 T HA -0.025 4.323 4.350 -0.002 0.000 0.250 360 T C 1.374 176.075 174.700 0.003 0.000 1.074 360 T CA 0.453 62.620 62.100 0.112 0.000 0.988 360 T CB -0.052 68.901 68.868 0.142 0.000 0.988 360 T HN 0.402 nan 8.240 nan 0.000 0.530 361 T N -0.056 114.509 114.554 0.019 0.000 3.092 361 T HA 0.327 4.676 4.350 -0.002 0.000 0.258 361 T C 1.215 175.910 174.700 -0.008 0.000 1.031 361 T CA -0.454 61.646 62.100 -0.001 0.000 0.925 361 T CB -0.799 68.079 68.868 0.018 0.000 1.036 361 T HN 0.659 nan 8.240 nan 0.000 0.544 362 I N -2.198 118.365 120.570 -0.011 0.000 3.974 362 I HA 0.679 4.848 4.170 -0.002 0.000 0.334 362 I C 2.158 178.264 176.117 -0.020 0.000 1.437 362 I CA -0.670 60.635 61.300 0.008 0.000 1.113 362 I CB -0.256 37.776 38.000 0.054 0.000 1.063 362 I HN 0.078 nan 8.210 nan 0.000 0.400 363 A N 2.543 125.315 122.820 -0.080 0.000 1.903 363 A HA -0.266 4.053 4.320 -0.002 0.000 0.219 363 A C 2.323 179.870 177.584 -0.063 0.000 1.191 363 A CA 2.159 54.126 52.037 -0.116 0.000 0.638 363 A CB -0.586 18.315 19.000 -0.166 0.000 0.823 363 A HN 0.511 nan 8.150 nan 0.000 0.451 364 K N -0.517 119.858 120.400 -0.043 0.000 2.286 364 K HA -0.133 4.186 4.320 -0.002 0.000 0.203 364 K C 1.113 177.710 176.600 -0.006 0.000 1.045 364 K CA 1.302 57.574 56.287 -0.025 0.000 0.935 364 K CB -0.021 32.470 32.500 -0.016 0.000 0.737 364 K HN 0.494 nan 8.250 nan 0.000 0.460 365 E N 0.159 120.364 120.200 0.008 0.000 2.474 365 E HA 0.050 4.399 4.350 -0.002 0.000 0.195 365 E C 0.404 177.035 176.600 0.051 0.000 1.039 365 E CA 0.286 56.704 56.400 0.030 0.000 0.881 365 E CB 0.267 29.993 29.700 0.043 0.000 0.970 365 E HN 0.416 nan 8.360 nan 0.000 0.486 366 M N -1.882 117.745 119.600 0.045 0.000 2.393 366 M HA 0.473 4.952 4.480 -0.002 0.000 0.299 366 M C 0.370 176.685 176.300 0.025 0.000 1.103 366 M CA -0.640 54.702 55.300 0.070 0.000 0.910 366 M CB 2.149 34.827 32.600 0.130 0.000 1.659 366 M HN -0.392 nan 8.290 nan 0.000 0.445 367 S N 1.444 117.170 115.700 0.044 0.000 2.436 367 S HA 0.296 4.765 4.470 -0.002 0.000 0.228 367 S C 0.808 175.343 174.600 -0.109 0.000 1.014 367 S CA 0.829 59.047 58.200 0.030 0.000 0.950 367 S CB 0.046 63.375 63.200 0.214 0.000 0.784 367 S HN 0.957 nan 8.310 nan 0.000 0.504 368 G N -0.150 108.475 108.800 -0.291 0.000 2.677 368 G HA2 0.599 4.558 3.960 -0.002 0.000 0.291 368 G HA3 0.599 4.558 3.960 -0.002 0.000 0.291 368 G C -2.129 172.630 174.900 -0.234 0.000 1.435 368 G CA -0.694 44.092 45.100 -0.524 0.000 0.826 368 G HN 0.131 nan 8.290 nan 0.000 0.491 369 F N 1.550 121.371 119.950 -0.216 0.000 2.671 369 F HA 0.548 5.074 4.527 -0.003 0.000 0.332 369 F C -0.310 175.518 175.800 0.046 0.000 1.189 369 F CA -0.790 57.195 58.000 -0.025 0.000 0.988 369 F CB 1.872 40.886 39.000 0.023 0.000 1.258 369 F HN 0.553 nan 8.300 nan 0.000 0.471 370 V N 2.229 122.101 119.914 -0.070 0.000 2.628 370 V HA 0.697 4.816 4.120 -0.002 0.000 0.306 370 V C -0.478 175.589 176.094 -0.046 0.000 1.045 370 V CA -0.575 61.730 62.300 0.009 0.000 0.905 370 V CB 1.427 33.249 31.823 -0.003 0.000 0.997 370 V HN 0.732 nan 8.190 nan 0.000 0.436 371 T N 3.093 117.701 114.554 0.089 0.000 2.733 371 T HA 0.301 4.650 4.350 -0.002 0.000 0.294 371 T C 0.023 174.673 174.700 -0.084 0.000 0.956 371 T CA -0.281 61.897 62.100 0.131 0.000 0.987 371 T CB -0.004 69.061 68.868 0.328 0.000 0.920 371 T HN 0.918 nan 8.240 nan 0.000 0.470 372 N N 7.262 125.847 118.700 -0.191 0.000 2.416 372 N HA 0.261 5.000 4.740 -0.002 0.000 0.265 372 N C -2.099 173.375 175.510 -0.061 0.000 1.195 372 N CA -1.651 51.282 53.050 -0.195 0.000 0.943 372 N CB 0.776 39.205 38.487 -0.097 0.000 1.115 372 N HN 0.450 nan 8.380 nan 0.000 0.481 373 P HA 0.198 nan 4.420 nan 0.000 0.302 373 P C -0.224 177.037 177.300 -0.065 0.000 1.307 373 P CA -0.405 62.750 63.100 0.091 0.000 0.754 373 P CB 0.987 32.941 31.700 0.423 0.000 1.298 374 M N -0.106 119.427 119.600 -0.112 0.000 2.283 374 M HA 0.154 4.633 4.480 -0.002 0.000 0.314 374 M C 1.815 177.768 176.300 -0.577 0.000 1.153 374 M CA -0.171 54.913 55.300 -0.360 0.000 1.084 374 M CB 0.392 32.842 32.600 -0.251 0.000 1.468 374 M HN 0.455 nan 8.290 nan 0.000 0.474 375 E N 0.345 119.943 120.200 -1.004 0.000 2.401 375 E HA -0.151 4.198 4.350 -0.002 0.000 0.199 375 E C -0.292 176.157 176.600 -0.251 0.000 1.023 375 E CA 0.939 56.802 56.400 -0.895 0.000 0.859 375 E CB -0.182 29.085 29.700 -0.722 0.000 0.780 375 E HN 0.532 nan 8.360 nan 0.000 0.523 376 H N 0.762 119.797 119.070 -0.059 0.000 2.969 376 H HA 0.310 4.865 4.556 -0.002 0.000 0.269 376 H C 0.919 176.183 175.328 -0.107 0.000 1.223 376 H CA 0.272 56.276 56.048 -0.073 0.000 1.400 376 H CB 1.132 30.802 29.762 -0.155 0.000 1.500 376 H HN 0.236 nan 8.280 nan 0.000 0.486 377 A N 3.637 126.317 122.820 -0.233 0.000 1.892 377 A HA -0.192 4.127 4.320 -0.002 0.000 0.218 377 A C 2.094 179.385 177.584 -0.488 0.000 1.188 377 A CA 1.341 52.881 52.037 -0.829 0.000 0.631 377 A CB 0.053 18.215 19.000 -1.396 0.000 0.822 377 A HN 0.560 nan 8.150 nan 0.000 0.447 378 E N -0.098 119.894 120.200 -0.346 0.000 2.112 378 E HA -0.045 4.304 4.350 -0.002 0.000 0.190 378 E C 2.295 178.763 176.600 -0.219 0.000 0.979 378 E CA 1.078 57.292 56.400 -0.311 0.000 0.814 378 E CB -0.452 29.091 29.700 -0.263 0.000 0.762 378 E HN 0.559 nan 8.360 nan 0.000 0.460 379 S N 1.373 116.984 115.700 -0.149 0.000 2.400 379 S HA -0.091 4.378 4.470 -0.002 0.000 0.232 379 S C 2.118 176.675 174.600 -0.073 0.000 1.025 379 S CA 0.881 59.015 58.200 -0.110 0.000 0.993 379 S CB -0.111 63.020 63.200 -0.116 0.000 0.808 379 S HN 0.131 nan 8.310 nan 0.000 0.478 380 S N 1.204 116.871 115.700 -0.056 0.000 2.447 380 S HA 0.011 4.480 4.470 -0.002 0.000 0.233 380 S C 1.582 176.223 174.600 0.068 0.000 1.006 380 S CA 0.674 58.886 58.200 0.021 0.000 0.957 380 S CB -0.109 63.161 63.200 0.118 0.000 0.773 380 S HN 0.491 nan 8.310 nan 0.000 0.507 381 K N 0.788 121.162 120.400 -0.044 0.000 2.442 381 K HA 0.053 4.372 4.320 -0.002 0.000 0.198 381 K C 1.508 178.225 176.600 0.194 0.000 1.044 381 K CA 0.645 56.917 56.287 -0.024 0.000 0.948 381 K CB -0.211 31.957 32.500 -0.554 0.000 0.762 381 K HN 0.408 nan 8.250 nan 0.000 0.472 382 I N 0.489 121.134 120.570 0.124 0.000 2.233 382 I HA -0.223 3.946 4.170 -0.002 0.000 0.243 382 I C 2.438 178.757 176.117 0.337 0.000 1.093 382 I CA 0.980 62.378 61.300 0.163 0.000 1.380 382 I CB -0.248 37.811 38.000 0.098 0.000 1.067 382 I HN 0.106 nan 8.210 nan 0.000 0.413 383 A N 0.952 123.975 122.820 0.339 0.000 1.897 383 A HA -0.100 4.219 4.320 -0.002 0.000 0.215 383 A C 2.273 180.121 177.584 0.440 0.000 1.181 383 A CA 1.164 53.460 52.037 0.432 0.000 0.620 383 A CB -0.756 18.481 19.000 0.395 0.000 0.821 383 A HN 0.332 nan 8.150 nan 0.000 0.443 384 I N -1.821 118.998 120.570 0.414 0.000 2.208 384 I HA -0.309 3.860 4.170 -0.002 0.000 0.245 384 I C 2.463 178.848 176.117 0.447 0.000 1.097 384 I CA 1.942 63.505 61.300 0.437 0.000 1.363 384 I CB -0.433 37.878 38.000 0.519 0.000 1.051 384 I HN 0.555 nan 8.210 nan 0.000 0.413 385 Y N 1.131 121.665 120.300 0.391 0.000 2.274 385 Y HA -0.266 4.282 4.550 -0.003 0.000 0.290 385 Y C 2.636 178.663 175.900 0.210 0.000 1.145 385 Y CA 1.818 60.060 58.100 0.236 0.000 1.203 385 Y CB 0.061 38.706 38.460 0.308 0.000 0.984 385 Y HN 0.074 nan 8.280 nan 0.000 0.533 386 S N -1.032 114.970 115.700 0.503 0.000 2.406 386 S HA -0.112 4.356 4.470 -0.002 0.000 0.224 386 S C 1.994 176.760 174.600 0.277 0.000 1.030 386 S CA 1.000 59.488 58.200 0.480 0.000 0.958 386 S CB -0.377 63.144 63.200 0.536 0.000 0.811 386 S HN 0.287 nan 8.310 nan 0.000 0.489 387 V N 2.415 122.481 119.914 0.254 0.000 2.343 387 V HA -0.199 3.920 4.120 -0.002 0.000 0.247 387 V C 2.692 178.839 176.094 0.088 0.000 1.051 387 V CA 1.679 64.076 62.300 0.163 0.000 1.036 387 V CB -1.221 30.820 31.823 0.362 0.000 0.654 387 V HN 0.521 nan 8.190 nan 0.000 0.451 388 A N -0.523 122.345 122.820 0.079 0.000 1.892 388 A HA -0.301 4.018 4.320 -0.002 0.000 0.218 388 A C 2.577 180.134 177.584 -0.046 0.000 1.188 388 A CA 2.589 54.612 52.037 -0.022 0.000 0.631 388 A CB -0.958 17.956 19.000 -0.143 0.000 0.822 388 A HN 0.503 nan 8.150 nan 0.000 0.447 389 S N -1.975 113.701 115.700 -0.041 0.000 2.348 389 S HA -0.222 4.247 4.470 -0.002 0.000 0.221 389 S C 1.921 176.561 174.600 0.066 0.000 1.033 389 S CA 1.754 59.981 58.200 0.046 0.000 1.010 389 S CB -0.615 62.700 63.200 0.191 0.000 0.891 389 S HN 0.687 nan 8.310 nan 0.000 0.442 390 Y N 2.024 122.121 120.300 -0.338 0.000 2.114 390 Y HA -0.139 4.411 4.550 0.000 0.000 0.282 390 Y C 2.362 178.015 175.900 -0.411 0.000 1.165 390 Y CA 1.738 59.396 58.100 -0.738 0.000 1.148 390 Y CB -0.980 36.695 38.460 -1.310 0.000 0.972 390 Y HN 0.304 nan 8.280 nan 0.000 0.504 391 A N 0.129 122.688 122.820 -0.435 0.000 2.016 391 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 391 A C 2.194 179.651 177.584 -0.212 0.000 1.162 391 A CA 0.992 52.776 52.037 -0.421 0.000 0.662 391 A CB -1.404 17.510 19.000 -0.143 0.000 0.812 391 A HN 0.855 nan 8.150 nan 0.000 0.450 392 W N 0.371 121.513 121.300 -0.263 0.000 2.407 392 W HA 0.000 4.659 4.660 -0.003 0.000 0.305 392 W C -0.113 176.264 176.519 -0.236 0.000 1.196 392 W CA 1.535 58.754 57.345 -0.211 0.000 1.311 392 W CB 0.059 29.403 29.460 -0.193 0.000 1.135 392 W HN 0.404 nan 8.180 nan 0.000 0.514 393 N N 0.197 118.890 118.700 -0.012 0.000 2.725 393 N HA 0.158 4.897 4.740 -0.002 0.000 0.248 393 N C -2.049 173.390 175.510 -0.118 0.000 1.402 393 N CA -1.657 51.333 53.050 -0.101 0.000 0.766 393 N CB 0.803 39.321 38.487 0.051 0.000 1.223 393 N HN -0.189 nan 8.380 nan 0.000 0.515 394 P HA -0.058 nan 4.420 nan 0.000 0.222 394 P C 0.966 178.229 177.300 -0.062 0.000 1.147 394 P CA 0.701 63.605 63.100 -0.327 0.000 0.790 394 P CB 0.339 31.660 31.700 -0.630 0.000 0.780 395 A N 0.348 123.129 122.820 -0.066 0.000 2.066 395 A HA -0.083 4.236 4.320 -0.002 0.000 0.218 395 A C 2.038 179.639 177.584 0.027 0.000 1.157 395 A CA 1.170 53.198 52.037 -0.016 0.000 0.670 395 A CB -0.669 18.306 19.000 -0.042 0.000 0.804 395 A HN 0.143 nan 8.150 nan 0.000 0.453 396 K N -1.537 118.888 120.400 0.042 0.000 2.373 396 K HA 0.115 4.434 4.320 -0.002 0.000 0.202 396 K C -0.614 176.047 176.600 0.102 0.000 1.025 396 K CA -0.432 55.888 56.287 0.055 0.000 1.115 396 K CB 0.194 32.713 32.500 0.032 0.000 0.858 396 K HN 0.480 nan 8.250 nan 0.000 0.525 397 Y N 2.626 122.942 120.300 0.026 0.000 2.544 397 Y HA -0.059 4.490 4.550 -0.002 0.000 0.330 397 Y C -0.238 175.709 175.900 0.079 0.000 1.136 397 Y CA -0.221 57.920 58.100 0.069 0.000 1.417 397 Y CB 0.293 38.834 38.460 0.134 0.000 1.229 397 Y HN -0.038 nan 8.280 nan 0.000 0.532 398 D N 4.904 124.928 120.400 -0.628 0.000 2.454 398 D HA 0.168 4.806 4.640 -0.002 0.000 0.247 398 D C 0.569 176.474 176.300 -0.658 0.000 1.129 398 D CA -0.177 53.565 54.000 -0.430 0.000 0.877 398 D CB 1.359 42.071 40.800 -0.146 0.000 1.082 398 D HN 0.761 nan 8.370 nan 0.000 0.537 399 T N 2.206 116.381 114.554 -0.631 0.000 2.570 399 T HA -0.206 4.143 4.350 -0.002 0.000 0.266 399 T C 1.545 176.109 174.700 -0.228 0.000 1.071 399 T CA 1.412 63.235 62.100 -0.463 0.000 1.172 399 T CB -0.368 68.263 68.868 -0.395 0.000 0.864 399 T HN 0.551 nan 8.240 nan 0.000 0.421 400 W N 1.058 122.325 121.300 -0.055 0.000 2.379 400 W HA -0.062 4.598 4.660 -0.001 0.000 0.307 400 W C 2.954 179.565 176.519 0.154 0.000 1.200 400 W CA 0.631 58.004 57.345 0.047 0.000 1.297 400 W CB -0.392 29.054 29.460 -0.024 0.000 1.140 400 W HN 0.215 nan 8.180 nan 0.000 0.507 401 Q N -0.004 119.952 119.800 0.260 0.000 2.124 401 Q HA -0.139 4.199 4.340 -0.002 0.000 0.202 401 Q C 1.927 178.039 176.000 0.186 0.000 0.977 401 Q CA 2.481 58.398 55.803 0.190 0.000 0.850 401 Q CB -0.671 28.128 28.738 0.101 0.000 0.901 401 Q HN 0.100 nan 8.270 nan 0.000 0.429 402 T N -0.591 114.060 114.554 0.162 0.000 2.812 402 T HA -0.134 4.215 4.350 -0.002 0.000 0.264 402 T C 0.965 175.856 174.700 0.318 0.000 1.042 402 T CA 1.001 63.261 62.100 0.266 0.000 1.140 402 T CB -0.596 68.436 68.868 0.273 0.000 0.870 402 T HN 0.525 nan 8.240 nan 0.000 0.445 403 W N 2.632 123.994 121.300 0.103 0.000 2.301 403 W HA -0.223 4.438 4.660 0.000 0.000 0.325 403 W C 2.066 178.615 176.519 0.050 0.000 1.250 403 W CA 1.464 58.854 57.345 0.076 0.000 1.261 403 W CB -0.265 29.208 29.460 0.022 0.000 1.157 403 W HN 0.154 nan 8.180 nan 0.000 0.473 404 K N -0.491 119.996 120.400 0.145 0.000 2.103 404 K HA -0.199 4.119 4.320 -0.002 0.000 0.207 404 K C 1.607 178.114 176.600 -0.155 0.000 1.048 404 K CA 1.752 57.984 56.287 -0.092 0.000 0.930 404 K CB -0.559 32.001 32.500 0.099 0.000 0.716 404 K HN 0.103 nan 8.250 nan 0.000 0.444 405 D N 0.783 121.145 120.400 -0.062 0.000 2.144 405 D HA -0.120 4.519 4.640 -0.002 0.000 0.199 405 D C 1.880 177.878 176.300 -0.504 0.000 0.984 405 D CA 1.258 55.187 54.000 -0.118 0.000 0.834 405 D CB -0.170 40.706 40.800 0.127 0.000 0.955 405 D HN 0.230 nan 8.370 nan 0.000 0.465 406 A N 0.943 123.357 122.820 -0.677 0.000 1.858 406 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 406 A C 2.394 179.659 177.584 -0.530 0.000 1.190 406 A CA 1.017 52.484 52.037 -0.950 0.000 0.617 406 A CB -0.839 17.919 19.000 -0.404 0.000 0.827 406 A HN 0.177 nan 8.150 nan 0.000 0.443 407 I N -1.111 119.187 120.570 -0.454 0.000 2.118 407 I HA -0.321 3.848 4.170 -0.002 0.000 0.241 407 I C 2.739 178.691 176.117 -0.275 0.000 1.070 407 I CA 1.991 63.061 61.300 -0.383 0.000 1.327 407 I CB -0.320 37.371 38.000 -0.513 0.000 1.034 407 I HN 0.272 nan 8.210 nan 0.000 0.405 408 R N 0.136 120.486 120.500 -0.250 0.000 2.127 408 R HA -0.141 4.198 4.340 -0.002 0.000 0.238 408 R C 2.233 178.446 176.300 -0.145 0.000 1.134 408 R CA 1.878 57.879 56.100 -0.165 0.000 0.975 408 R CB -0.251 29.973 30.300 -0.127 0.000 0.865 408 R HN 0.360 nan 8.270 nan 0.000 0.447 409 T N 0.592 115.028 114.554 -0.197 0.000 2.809 409 T HA -0.020 4.329 4.350 -0.002 0.000 0.260 409 T C 1.597 176.253 174.700 -0.074 0.000 1.039 409 T CA 0.961 62.997 62.100 -0.107 0.000 1.141 409 T CB 0.008 68.811 68.868 -0.107 0.000 0.869 409 T HN 0.049 nan 8.240 nan 0.000 0.437 410 I N 0.204 120.695 120.570 -0.132 0.000 2.252 410 I HA 0.088 4.257 4.170 -0.002 0.000 0.245 410 I C 0.924 176.963 176.117 -0.130 0.000 1.102 410 I CA 0.993 62.207 61.300 -0.144 0.000 1.385 410 I CB -0.857 37.029 38.000 -0.189 0.000 1.064 410 I HN 0.172 nan 8.210 nan 0.000 0.414 411 L N 2.090 123.233 121.223 -0.133 0.000 2.511 411 L HA 0.360 4.699 4.340 -0.002 0.000 0.252 411 L C -1.796 175.012 176.870 -0.103 0.000 1.542 411 L CA -1.027 53.743 54.840 -0.117 0.000 0.822 411 L CB 0.994 42.977 42.059 -0.126 0.000 1.050 411 L HN -0.167 nan 8.230 nan 0.000 0.516 412 P HA -0.115 nan 4.420 nan 0.000 0.220 412 P C 1.187 178.449 177.300 -0.063 0.000 1.148 412 P CA 1.243 64.300 63.100 -0.073 0.000 0.803 412 P CB 0.278 31.943 31.700 -0.058 0.000 0.782 413 S N -0.634 115.029 115.700 -0.062 0.000 2.461 413 S HA 0.203 4.672 4.470 -0.002 0.000 0.228 413 S C 1.550 176.118 174.600 -0.053 0.000 1.005 413 S CA 0.598 58.766 58.200 -0.052 0.000 0.942 413 S CB -0.463 62.707 63.200 -0.051 0.000 0.776 413 S HN 0.152 nan 8.310 nan 0.000 0.514 414 A N -0.039 122.743 122.820 -0.064 0.000 2.843 414 A HA 0.868 5.186 4.320 -0.002 0.000 0.248 414 A C 1.274 178.816 177.584 -0.071 0.000 0.904 414 A CA 0.097 52.097 52.037 -0.062 0.000 1.091 414 A CB -0.303 18.656 19.000 -0.069 0.000 1.208 414 A HN 0.461 nan 8.150 nan 0.000 0.476 415 A N 0.388 123.162 122.820 -0.077 0.000 1.877 415 A HA -0.123 4.196 4.320 -0.002 0.000 0.216 415 A C 1.765 179.297 177.584 -0.087 0.000 1.186 415 A CA 1.746 53.721 52.037 -0.102 0.000 0.620 415 A CB -0.374 18.563 19.000 -0.105 0.000 0.822 415 A HN 0.595 nan 8.150 nan 0.000 0.443 416 E N -0.413 119.760 120.200 -0.046 0.000 2.097 416 E HA -0.249 4.100 4.350 -0.002 0.000 0.196 416 E C 2.022 178.630 176.600 0.012 0.000 1.000 416 E CA 1.685 58.079 56.400 -0.009 0.000 0.804 416 E CB -0.162 29.544 29.700 0.010 0.000 0.740 416 E HN 0.704 nan 8.360 nan 0.000 0.454 417 E N 0.629 120.830 120.200 0.001 0.000 2.072 417 E HA -0.153 4.196 4.350 -0.002 0.000 0.191 417 E C 1.887 178.506 176.600 0.030 0.000 0.985 417 E CA 0.406 56.820 56.400 0.024 0.000 0.801 417 E CB -0.177 29.520 29.700 -0.006 0.000 0.750 417 E HN 0.068 nan 8.360 nan 0.000 0.452 418 L N 1.255 122.462 121.223 -0.026 0.000 2.131 418 L HA -0.139 4.199 4.340 -0.002 0.000 0.210 418 L C 1.839 178.695 176.870 -0.023 0.000 1.092 418 L CA 1.806 56.633 54.840 -0.021 0.000 0.759 418 L CB -0.283 41.716 42.059 -0.099 0.000 0.903 418 L HN 0.106 nan 8.230 nan 0.000 0.435 419 E N -1.501 118.646 120.200 -0.088 0.000 2.077 419 E HA -0.270 4.079 4.350 -0.002 0.000 0.193 419 E C 2.356 179.039 176.600 0.138 0.000 0.989 419 E CA 1.437 57.776 56.400 -0.101 0.000 0.800 419 E CB -0.305 29.336 29.700 -0.098 0.000 0.746 419 E HN 0.696 nan 8.360 nan 0.000 0.452 420 C N 0.308 119.699 119.300 0.151 0.000 2.413 420 C HA -0.195 4.264 4.460 -0.002 0.000 0.277 420 C C 2.486 177.648 174.990 0.286 0.000 1.228 420 C CA 0.993 60.158 59.018 0.246 0.000 1.731 420 C CB -1.217 26.700 27.740 0.295 0.000 2.042 420 C HN 0.533 nan 8.230 nan 0.000 0.468 421 F N 2.222 122.165 119.950 -0.011 0.000 2.095 421 F HA -0.013 4.514 4.527 0.000 0.000 0.298 421 F C 2.281 177.970 175.800 -0.185 0.000 1.104 421 F CA 2.028 59.795 58.000 -0.387 0.000 1.232 421 F CB -0.812 37.890 39.000 -0.496 0.000 0.987 421 F HN 0.274 nan 8.300 nan 0.000 0.475 422 A N 0.215 122.978 122.820 -0.095 0.000 1.930 422 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 422 A C 2.259 179.931 177.584 0.147 0.000 1.175 422 A CA 1.577 53.612 52.037 -0.003 0.000 0.627 422 A CB -0.766 18.371 19.000 0.227 0.000 0.815 422 A HN 0.439 nan 8.150 nan 0.000 0.443 423 M N -0.311 119.392 119.600 0.172 0.000 2.202 423 M HA -0.124 4.355 4.480 -0.002 0.000 0.262 423 M C 0.977 177.141 176.300 -0.226 0.000 1.063 423 M CA 1.487 56.747 55.300 -0.067 0.000 1.097 423 M CB -0.981 31.429 32.600 -0.318 0.000 1.382 423 M HN 0.533 nan 8.290 nan 0.000 0.413 424 H N -1.447 117.702 119.070 0.132 0.000 2.520 424 H HA 0.330 4.884 4.556 -0.003 0.000 0.284 424 H C -0.125 175.230 175.328 0.045 0.000 1.037 424 H CA -0.012 56.135 56.048 0.165 0.000 1.168 424 H CB 0.006 30.011 29.762 0.406 0.000 1.497 424 H HN 0.300 nan 8.280 nan 0.000 0.547 425 N N 0.837 119.501 118.700 -0.060 0.000 2.752 425 N HA 0.066 4.805 4.740 -0.002 0.000 0.260 425 N C 0.166 175.650 175.510 -0.043 0.000 1.562 425 N CA 0.167 53.136 53.050 -0.135 0.000 0.788 425 N CB 1.514 39.679 38.487 -0.536 0.000 1.192 425 N HN 0.215 nan 8.380 nan 0.000 0.503 426 S N -1.736 114.000 115.700 0.060 0.000 2.784 426 S HA 0.077 4.545 4.470 -0.002 0.000 0.266 426 S C 0.301 174.971 174.600 0.118 0.000 1.079 426 S CA -0.127 58.128 58.200 0.092 0.000 0.989 426 S CB 0.782 64.022 63.200 0.066 0.000 0.926 426 S HN 0.204 nan 8.310 nan 0.000 0.497 427 D N 0.854 121.318 120.400 0.107 0.000 2.358 427 D HA 0.449 5.088 4.640 -0.002 0.000 0.244 427 D C 0.609 176.902 176.300 -0.010 0.000 1.163 427 D CA -0.339 53.699 54.000 0.063 0.000 0.945 427 D CB 0.952 41.794 40.800 0.070 0.000 1.152 427 D HN 0.078 nan 8.370 nan 0.000 0.451 428 L N 1.165 122.320 121.223 -0.114 0.000 2.513 428 L HA 0.339 4.678 4.340 -0.002 0.000 0.222 428 L C 1.364 177.886 176.870 -0.579 0.000 1.096 428 L CA 0.793 55.442 54.840 -0.317 0.000 0.857 428 L CB -0.708 41.312 42.059 -0.064 0.000 1.026 428 L HN 0.756 nan 8.230 nan 0.000 0.469 429 G N -0.079 108.563 108.800 -0.263 0.000 2.888 429 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.441 429 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.441 429 G C -2.555 172.320 174.900 -0.043 0.000 1.461 429 G CA -0.923 44.116 45.100 -0.101 0.000 0.897 429 G HN 0.046 nan 8.290 nan 0.000 0.547 430 P HA 0.305 nan 4.420 nan 0.000 0.267 430 P C 0.024 177.359 177.300 0.059 0.000 1.200 430 P CA 0.335 63.463 63.100 0.047 0.000 0.772 430 P CB 0.655 32.387 31.700 0.054 0.000 0.855 431 N N -0.778 117.976 118.700 0.090 0.000 3.020 431 N HA 0.347 5.086 4.740 -0.002 0.000 0.248 431 N C 0.821 176.394 175.510 0.105 0.000 1.480 431 N CA -0.836 52.292 53.050 0.131 0.000 0.874 431 N CB -0.205 38.422 38.487 0.234 0.000 1.433 431 N HN 0.226 nan 8.380 nan 0.000 0.530 432 G N -1.425 107.410 108.800 0.059 0.000 2.471 432 G HA2 -0.148 3.810 3.960 -0.002 0.000 0.219 432 G HA3 -0.148 3.810 3.960 -0.002 0.000 0.219 432 G C 0.342 175.166 174.900 -0.127 0.000 1.125 432 G CA 0.595 45.650 45.100 -0.076 0.000 0.775 432 G HN 0.752 nan 8.290 nan 0.000 0.548 433 H N -0.637 118.395 119.070 -0.062 0.000 2.520 433 H HA 0.320 4.865 4.556 -0.019 0.000 0.284 433 H C 1.929 177.245 175.328 -0.020 0.000 1.037 433 H CA -0.275 55.672 56.048 -0.168 0.000 1.168 433 H CB 0.483 29.932 29.762 -0.522 0.000 1.497 433 H HN 0.317 nan 8.280 nan 0.000 0.547 434 G N 1.401 110.291 108.800 0.151 0.000 2.402 434 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.300 434 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.300 434 G C -0.353 174.653 174.900 0.178 0.000 0.987 434 G CA 0.700 45.880 45.100 0.133 0.000 0.881 434 G HN 0.534 nan 8.290 nan 0.000 0.512 435 Y N 0.732 121.083 120.300 0.085 0.000 2.335 435 Y HA 0.723 5.260 4.550 -0.020 0.000 0.338 435 Y C 0.294 176.238 175.900 0.073 0.000 0.977 435 Y CA -1.420 56.718 58.100 0.065 0.000 1.114 435 Y CB 0.941 39.440 38.460 0.064 0.000 1.182 435 Y HN 0.182 nan 8.280 nan 0.000 0.463 436 R N 4.869 125.124 120.500 -0.409 0.000 2.888 436 R HA 0.643 4.981 4.340 -0.002 0.000 0.266 436 R C -1.062 174.993 176.300 -0.408 0.000 1.020 436 R CA -1.183 54.751 56.100 -0.277 0.000 0.963 436 R CB 2.098 32.331 30.300 -0.112 0.000 1.197 436 R HN 0.714 nan 8.270 nan 0.000 0.481 437 R N 0.690 121.090 120.500 -0.167 0.000 2.698 437 R HA 0.304 4.643 4.340 -0.002 0.000 0.275 437 R C -0.434 175.890 176.300 0.040 0.000 1.001 437 R CA -0.912 55.155 56.100 -0.055 0.000 0.896 437 R CB 1.908 32.192 30.300 -0.026 0.000 1.218 437 R HN 0.613 nan 8.270 nan 0.000 0.462 438 E N 1.566 121.821 120.200 0.092 0.000 2.436 438 E HA -0.032 4.317 4.350 -0.002 0.000 0.262 438 E C -0.424 176.213 176.600 0.062 0.000 1.063 438 E CA 0.853 57.285 56.400 0.053 0.000 0.944 438 E CB 0.652 30.356 29.700 0.006 0.000 0.950 438 E HN 0.360 nan 8.360 nan 0.000 0.444 439 E N 0.122 120.367 120.200 0.074 0.000 2.381 439 E HA 0.099 4.448 4.350 -0.002 0.000 0.286 439 E C -1.266 175.411 176.600 0.129 0.000 0.960 439 E CA -0.331 56.130 56.400 0.101 0.000 0.793 439 E CB 1.107 30.881 29.700 0.123 0.000 1.225 439 E HN 0.440 nan 8.360 nan 0.000 0.420 440 S N 3.032 118.828 115.700 0.159 0.000 3.641 440 S HA -0.201 4.268 4.470 -0.002 0.000 0.346 440 S C 0.991 175.669 174.600 0.131 0.000 1.074 440 S CA 0.816 59.172 58.200 0.260 0.000 1.026 440 S CB -0.865 62.559 63.200 0.373 0.000 0.908 440 S HN 0.624 nan 8.310 nan 0.000 0.479 441 M N 1.981 121.613 119.600 0.053 0.000 2.117 441 M HA -0.103 4.376 4.480 -0.002 0.000 0.262 441 M C 2.271 178.547 176.300 -0.039 0.000 1.065 441 M CA 2.181 57.479 55.300 -0.004 0.000 1.114 441 M CB -1.260 31.319 32.600 -0.036 0.000 1.361 441 M HN 0.659 nan 8.290 nan 0.000 0.408 442 D N 0.435 120.799 120.400 -0.061 0.000 2.149 442 D HA -0.210 4.429 4.640 -0.002 0.000 0.194 442 D C 1.531 177.822 176.300 -0.015 0.000 1.001 442 D CA 1.909 55.874 54.000 -0.059 0.000 0.849 442 D CB -0.916 39.859 40.800 -0.041 0.000 0.939 442 D HN 0.554 nan 8.370 nan 0.000 0.449 443 I N -3.323 117.265 120.570 0.031 0.000 3.968 443 I HA 0.115 4.284 4.170 -0.002 0.000 0.328 443 I C 2.063 178.176 176.117 -0.006 0.000 1.290 443 I CA -0.102 61.200 61.300 0.003 0.000 1.163 443 I CB -0.056 37.943 38.000 -0.001 0.000 1.024 443 I HN -0.259 nan 8.210 nan 0.000 0.413 444 Q N 1.988 121.798 119.800 0.017 0.000 2.045 444 Q HA -0.136 4.203 4.340 -0.002 0.000 0.206 444 Q C -0.163 175.850 176.000 0.022 0.000 0.991 444 Q CA 2.845 58.662 55.803 0.024 0.000 0.851 444 Q CB -1.503 27.250 28.738 0.026 0.000 0.911 444 Q HN 0.436 nan 8.270 nan 0.000 0.418 445 P HA -0.166 nan 4.420 nan 0.000 0.215 445 P C 1.014 178.335 177.300 0.035 0.000 1.157 445 P CA 2.117 65.228 63.100 0.019 0.000 0.874 445 P CB -0.275 31.426 31.700 0.002 0.000 0.790 446 A N 0.424 123.253 122.820 0.015 0.000 1.902 446 A HA -0.089 4.229 4.320 -0.002 0.000 0.217 446 A C 2.522 180.135 177.584 0.048 0.000 1.181 446 A CA 2.362 54.411 52.037 0.020 0.000 0.623 446 A CB -1.572 17.403 19.000 -0.042 0.000 0.818 446 A HN 0.238 nan 8.150 nan 0.000 0.443 447 A N -0.376 122.457 122.820 0.022 0.000 1.859 447 A HA -0.261 4.058 4.320 -0.002 0.000 0.217 447 A C 2.041 179.711 177.584 0.145 0.000 1.198 447 A CA 2.005 54.076 52.037 0.058 0.000 0.629 447 A CB -0.633 18.389 19.000 0.037 0.000 0.830 447 A HN 0.636 nan 8.150 nan 0.000 0.446 448 E N -0.900 119.369 120.200 0.114 0.000 2.274 448 E HA -0.073 4.276 4.350 -0.002 0.000 0.194 448 E C 2.054 178.737 176.600 0.138 0.000 0.996 448 E CA 0.359 56.831 56.400 0.120 0.000 0.840 448 E CB 0.009 29.761 29.700 0.086 0.000 0.772 448 E HN 0.558 nan 8.360 nan 0.000 0.491 449 R N -0.892 119.698 120.500 0.150 0.000 2.307 449 R HA -0.018 4.321 4.340 -0.002 0.000 0.199 449 R C 1.466 177.911 176.300 0.241 0.000 1.000 449 R CA 0.362 56.559 56.100 0.162 0.000 1.023 449 R CB 0.088 30.471 30.300 0.139 0.000 0.908 449 R HN 0.180 nan 8.270 nan 0.000 0.473 450 F N -0.063 119.944 119.950 0.096 0.000 2.298 450 F HA 0.053 4.578 4.527 -0.003 0.000 0.282 450 F C 1.710 177.615 175.800 0.174 0.000 1.045 450 F CA 0.423 58.488 58.000 0.110 0.000 1.280 450 F CB -0.221 38.772 39.000 -0.011 0.000 1.114 450 F HN -0.160 nan 8.300 nan 0.000 0.546 451 L N 0.870 122.195 121.223 0.171 0.000 2.156 451 L HA -0.052 4.287 4.340 -0.002 0.000 0.208 451 L C 2.171 179.115 176.870 0.124 0.000 1.095 451 L CA 1.674 56.595 54.840 0.134 0.000 0.770 451 L CB -0.809 41.364 42.059 0.191 0.000 0.914 451 L HN 0.065 nan 8.230 nan 0.000 0.439 452 K N -0.613 119.854 120.400 0.112 0.000 2.057 452 K HA -0.012 4.307 4.320 -0.002 0.000 0.206 452 K C 2.032 178.686 176.600 0.091 0.000 1.050 452 K CA 1.287 57.631 56.287 0.095 0.000 0.935 452 K CB -0.296 32.256 32.500 0.085 0.000 0.715 452 K HN 0.367 nan 8.250 nan 0.000 0.439 453 A N 0.128 123.005 122.820 0.095 0.000 1.845 453 A HA -0.143 4.176 4.320 -0.002 0.000 0.215 453 A C 2.114 179.773 177.584 0.125 0.000 1.195 453 A CA 1.508 53.606 52.037 0.103 0.000 0.616 453 A CB -1.007 18.072 19.000 0.132 0.000 0.832 453 A HN 0.410 nan 8.150 nan 0.000 0.443 454 F N 0.921 120.815 119.950 -0.094 0.000 2.065 454 F HA -0.209 4.316 4.527 -0.003 0.000 0.298 454 F C 2.300 178.195 175.800 0.158 0.000 1.112 454 F CA 2.163 60.142 58.000 -0.037 0.000 1.212 454 F CB -0.215 38.602 39.000 -0.304 0.000 0.975 454 F HN 0.088 nan 8.300 nan 0.000 0.476 455 K N 0.128 120.590 120.400 0.103 0.000 2.034 455 K HA -0.214 4.105 4.320 -0.002 0.000 0.214 455 K C 1.528 178.190 176.600 0.104 0.000 1.051 455 K CA 2.000 58.325 56.287 0.063 0.000 0.931 455 K CB -0.618 31.930 32.500 0.080 0.000 0.715 455 K HN 0.520 nan 8.250 nan 0.000 0.446 456 E N -0.367 119.871 120.200 0.063 0.000 2.394 456 E HA 0.111 4.460 4.350 -0.002 0.000 0.191 456 E C 0.685 177.270 176.600 -0.025 0.000 1.044 456 E CA 0.545 56.965 56.400 0.034 0.000 0.939 456 E CB 0.389 30.106 29.700 0.028 0.000 1.089 456 E HN 0.416 nan 8.360 nan 0.000 0.456 457 G N 1.400 110.155 108.800 -0.075 0.000 2.157 457 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.248 457 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.248 457 G C 0.148 174.990 174.900 -0.097 0.000 0.979 457 G CA 0.250 45.238 45.100 -0.185 0.000 0.650 457 G HN 0.253 nan 8.290 nan 0.000 0.529 458 K N 1.122 121.509 120.400 -0.022 0.000 2.234 458 K HA 0.458 4.776 4.320 -0.002 0.000 0.282 458 K C 0.608 177.241 176.600 0.055 0.000 1.039 458 K CA -0.245 56.048 56.287 0.010 0.000 0.928 458 K CB 0.468 32.986 32.500 0.031 0.000 1.039 458 K HN 0.520 nan 8.250 nan 0.000 0.470 459 N N 2.459 121.168 118.700 0.016 0.000 2.483 459 N HA -0.028 4.711 4.740 -0.002 0.000 0.264 459 N C -0.777 174.769 175.510 0.060 0.000 1.197 459 N CA -0.189 52.849 53.050 -0.020 0.000 0.927 459 N CB 0.154 38.567 38.487 -0.123 0.000 1.065 459 N HN 0.388 nan 8.380 nan 0.000 0.461 460 Y N -0.741 119.650 120.300 0.151 0.000 2.314 460 Y HA 0.341 4.890 4.550 -0.002 0.000 0.334 460 Y C 0.234 176.258 175.900 0.206 0.000 1.266 460 Y CA -1.419 56.806 58.100 0.208 0.000 1.391 460 Y CB 0.199 38.874 38.460 0.359 0.000 1.306 460 Y HN 0.553 nan 8.280 nan 0.000 0.558 461 D N 1.392 122.065 120.400 0.455 0.000 2.304 461 D HA 0.099 4.737 4.640 -0.002 0.000 0.250 461 D C 0.987 177.531 176.300 0.407 0.000 1.107 461 D CA -0.287 53.902 54.000 0.315 0.000 0.885 461 D CB 1.190 42.116 40.800 0.210 0.000 1.192 461 D HN 0.712 nan 8.370 nan 0.000 0.436 462 K N 2.696 123.261 120.400 0.275 0.000 2.015 462 K HA -0.279 4.040 4.320 -0.002 0.000 0.216 462 K C 1.732 178.469 176.600 0.228 0.000 1.052 462 K CA 1.644 58.077 56.287 0.244 0.000 0.937 462 K CB -0.185 32.388 32.500 0.121 0.000 0.719 462 K HN 0.529 nan 8.250 nan 0.000 0.446 463 A N 1.251 124.162 122.820 0.153 0.000 2.076 463 A HA -0.210 4.109 4.320 -0.002 0.000 0.220 463 A C 1.589 179.226 177.584 0.089 0.000 1.160 463 A CA 2.046 54.141 52.037 0.098 0.000 0.653 463 A CB -0.435 18.600 19.000 0.059 0.000 0.801 463 A HN 0.455 nan 8.150 nan 0.000 0.455 464 D N -1.239 119.248 120.400 0.145 0.000 2.110 464 D HA -0.079 4.560 4.640 -0.002 0.000 0.202 464 D C 1.677 177.957 176.300 -0.032 0.000 0.975 464 D CA 1.004 55.061 54.000 0.095 0.000 0.839 464 D CB -0.509 40.421 40.800 0.217 0.000 0.996 464 D HN 0.471 nan 8.370 nan 0.000 0.464 465 F N 2.372 122.245 119.950 -0.128 0.000 2.063 465 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 465 F C 2.328 177.999 175.800 -0.214 0.000 1.109 465 F CA 1.738 59.544 58.000 -0.323 0.000 1.212 465 F CB 0.090 38.995 39.000 -0.158 0.000 0.973 465 F HN -0.082 nan 8.300 nan 0.000 0.480 466 E N -1.010 119.310 120.200 0.199 0.000 2.106 466 E HA -0.175 4.174 4.350 -0.002 0.000 0.192 466 E C 2.123 178.731 176.600 0.014 0.000 0.984 466 E CA 1.666 58.149 56.400 0.138 0.000 0.806 466 E CB -0.483 29.298 29.700 0.135 0.000 0.750 466 E HN 0.417 nan 8.360 nan 0.000 0.458 467 T N 1.936 116.458 114.554 -0.053 0.000 2.777 467 T HA -0.085 4.264 4.350 -0.002 0.000 0.266 467 T C 2.028 176.626 174.700 -0.170 0.000 1.040 467 T CA 0.716 62.765 62.100 -0.085 0.000 1.141 467 T CB -0.135 68.672 68.868 -0.102 0.000 0.868 467 T HN 0.083 nan 8.240 nan 0.000 0.444 468 L N 0.791 121.790 121.223 -0.373 0.000 2.017 468 L HA -0.132 4.207 4.340 -0.002 0.000 0.208 468 L C 2.862 179.231 176.870 -0.836 0.000 1.073 468 L CA 1.330 55.735 54.840 -0.724 0.000 0.745 468 L CB -0.550 41.008 42.059 -0.834 0.000 0.894 468 L HN 0.242 nan 8.230 nan 0.000 0.432 469 Q N -0.277 119.229 119.800 -0.489 0.000 2.119 469 Q HA -0.255 4.084 4.340 -0.002 0.000 0.201 469 Q C 2.058 177.982 176.000 -0.127 0.000 0.972 469 Q CA 1.728 57.388 55.803 -0.239 0.000 0.847 469 Q CB -0.586 28.093 28.738 -0.099 0.000 0.903 469 Q HN 0.484 nan 8.270 nan 0.000 0.433 470 Y N 0.493 120.682 120.300 -0.184 0.000 2.081 470 Y HA -0.275 4.274 4.550 -0.003 0.000 0.280 470 Y C 2.072 177.883 175.900 -0.148 0.000 1.163 470 Y CA 2.552 60.581 58.100 -0.118 0.000 1.135 470 Y CB -0.711 37.693 38.460 -0.093 0.000 0.970 470 Y HN 0.165 nan 8.280 nan 0.000 0.498 471 T N 1.128 115.573 114.554 -0.182 0.000 2.635 471 T HA -0.229 4.120 4.350 -0.002 0.000 0.267 471 T C 1.546 176.069 174.700 -0.294 0.000 1.040 471 T CA 2.047 63.975 62.100 -0.286 0.000 1.156 471 T CB -0.718 67.880 68.868 -0.451 0.000 0.863 471 T HN 0.280 nan 8.240 nan 0.000 0.430 472 F N 1.327 121.139 119.950 -0.230 0.000 2.134 472 F HA 0.035 4.560 4.527 -0.003 0.000 0.299 472 F C 2.530 178.194 175.800 -0.227 0.000 1.097 472 F CA 0.358 58.205 58.000 -0.255 0.000 1.264 472 F CB -1.021 37.828 39.000 -0.252 0.000 1.001 472 F HN 0.251 nan 8.300 nan 0.000 0.479 473 E N 0.066 120.236 120.200 -0.049 0.000 2.085 473 E HA -0.269 4.080 4.350 -0.002 0.000 0.194 473 E C 2.399 178.911 176.600 -0.146 0.000 0.994 473 E CA 1.184 57.525 56.400 -0.098 0.000 0.801 473 E CB -0.005 29.626 29.700 -0.115 0.000 0.743 473 E HN 0.081 nan 8.360 nan 0.000 0.453 474 R N 0.103 120.442 120.500 -0.268 0.000 2.092 474 R HA -0.030 4.309 4.340 -0.002 0.000 0.231 474 R C 2.185 178.474 176.300 -0.019 0.000 1.119 474 R CA 1.340 57.308 56.100 -0.219 0.000 0.970 474 R CB -0.154 29.897 30.300 -0.415 0.000 0.864 474 R HN 0.219 nan 8.270 nan 0.000 0.440 475 M N -0.065 119.532 119.600 -0.005 0.000 2.159 475 M HA -0.169 4.310 4.480 -0.002 0.000 0.263 475 M C 1.955 178.307 176.300 0.087 0.000 1.063 475 M CA 1.790 57.130 55.300 0.067 0.000 1.110 475 M CB -0.141 32.265 32.600 -0.324 0.000 1.374 475 M HN 0.041 nan 8.290 nan 0.000 0.411 476 K N 0.268 120.661 120.400 -0.011 0.000 2.001 476 K HA -0.132 4.187 4.320 -0.002 0.000 0.208 476 K C 1.826 178.442 176.600 0.026 0.000 1.048 476 K CA 1.443 57.729 56.287 -0.002 0.000 0.932 476 K CB -0.205 32.273 32.500 -0.037 0.000 0.715 476 K HN 0.410 nan 8.250 nan 0.000 0.437 477 E N 0.677 120.882 120.200 0.009 0.000 2.070 477 E HA -0.191 4.157 4.350 -0.002 0.000 0.197 477 E C 2.147 178.765 176.600 0.030 0.000 1.004 477 E CA 1.586 57.990 56.400 0.008 0.000 0.805 477 E CB -0.095 29.598 29.700 -0.012 0.000 0.744 477 E HN 0.145 nan 8.360 nan 0.000 0.451 478 S N 0.752 116.500 115.700 0.079 0.000 2.356 478 S HA -0.178 4.291 4.470 -0.002 0.000 0.223 478 S C 2.188 176.821 174.600 0.056 0.000 1.032 478 S CA 1.023 59.282 58.200 0.099 0.000 1.005 478 S CB -0.316 63.015 63.200 0.218 0.000 0.867 478 S HN 0.426 nan 8.310 nan 0.000 0.449 479 A N 2.052 124.951 122.820 0.131 0.000 1.902 479 A HA -0.176 4.142 4.320 -0.002 0.000 0.217 479 A C 1.815 179.371 177.584 -0.047 0.000 1.181 479 A CA 1.795 53.861 52.037 0.047 0.000 0.623 479 A CB -0.680 18.436 19.000 0.193 0.000 0.818 479 A HN 0.364 nan 8.150 nan 0.000 0.443 480 D N -0.328 120.064 120.400 -0.013 0.000 2.149 480 D HA -0.045 4.594 4.640 -0.002 0.000 0.201 480 D C 1.812 178.083 176.300 -0.049 0.000 0.972 480 D CA 0.895 54.877 54.000 -0.031 0.000 0.835 480 D CB -0.241 40.553 40.800 -0.010 0.000 0.966 480 D HN 0.509 nan 8.370 nan 0.000 0.476 481 I N 0.436 120.980 120.570 -0.044 0.000 2.353 481 I HA -0.181 3.988 4.170 -0.002 0.000 0.248 481 I C 2.320 178.387 176.117 -0.082 0.000 1.119 481 I CA 0.502 61.771 61.300 -0.051 0.000 1.417 481 I CB 0.071 38.049 38.000 -0.036 0.000 1.078 481 I HN -0.047 nan 8.210 nan 0.000 0.421 482 L N -0.138 121.016 121.223 -0.116 0.000 2.027 482 L HA -0.199 4.139 4.340 -0.002 0.000 0.206 482 L C 2.471 179.233 176.870 -0.180 0.000 1.074 482 L CA 1.245 55.981 54.840 -0.173 0.000 0.745 482 L CB -0.487 41.407 42.059 -0.275 0.000 0.898 482 L HN 0.233 nan 8.230 nan 0.000 0.433 483 L N -0.847 120.265 121.223 -0.186 0.000 2.129 483 L HA -0.231 4.108 4.340 -0.002 0.000 0.212 483 L C 2.077 178.879 176.870 -0.112 0.000 1.087 483 L CA 1.046 55.780 54.840 -0.177 0.000 0.757 483 L CB -0.228 41.722 42.059 -0.182 0.000 0.896 483 L HN 0.377 nan 8.230 nan 0.000 0.434 484 M N -1.198 118.348 119.600 -0.089 0.000 2.383 484 M HA 0.106 4.585 4.480 -0.002 0.000 0.247 484 M C 0.399 176.662 176.300 -0.062 0.000 1.117 484 M CA 0.120 55.383 55.300 -0.063 0.000 0.995 484 M CB -0.840 31.733 32.600 -0.046 0.000 1.480 484 M HN 0.132 nan 8.290 nan 0.000 0.485 485 N N 1.653 120.306 118.700 -0.078 0.000 2.472 485 N HA 0.091 4.830 4.740 -0.002 0.000 0.277 485 N C 0.357 175.825 175.510 -0.070 0.000 1.081 485 N CA 0.571 53.577 53.050 -0.074 0.000 0.973 485 N CB 1.379 39.814 38.487 -0.088 0.000 1.105 485 N HN 0.183 nan 8.380 nan 0.000 0.470 486 T N -0.438 114.080 114.554 -0.059 0.000 3.132 486 T HA 0.130 4.479 4.350 -0.002 0.000 0.274 486 T C 1.020 175.687 174.700 -0.056 0.000 1.011 486 T CA -0.316 61.752 62.100 -0.054 0.000 0.899 486 T CB 0.178 69.020 68.868 -0.043 0.000 1.089 486 T HN 0.635 nan 8.240 nan 0.000 0.543 487 E N 1.676 121.838 120.200 -0.063 0.000 2.086 487 E HA -0.015 4.334 4.350 -0.002 0.000 0.190 487 E C 0.493 177.048 176.600 -0.074 0.000 0.975 487 E CA 0.406 56.768 56.400 -0.063 0.000 0.813 487 E CB 0.206 29.867 29.700 -0.064 0.000 0.768 487 E HN 0.348 nan 8.360 nan 0.000 0.457 488 N N 0.484 119.132 118.700 -0.087 0.000 2.841 488 N HA 0.106 4.845 4.740 -0.002 0.000 0.257 488 N C -0.267 175.183 175.510 -0.100 0.000 1.396 488 N CA -0.069 52.920 53.050 -0.101 0.000 0.823 488 N CB 0.770 39.184 38.487 -0.122 0.000 1.162 488 N HN -0.005 nan 8.380 nan 0.000 0.503 489 K N 0.852 121.202 120.400 -0.084 0.000 2.032 489 K HA -0.072 4.247 4.320 -0.002 0.000 0.209 489 K C -0.919 175.634 176.600 -0.078 0.000 1.048 489 K CA 1.683 57.925 56.287 -0.074 0.000 0.927 489 K CB -0.429 32.037 32.500 -0.057 0.000 0.712 489 K HN 0.362 nan 8.250 nan 0.000 0.441 490 P HA -0.194 nan 4.420 nan 0.000 0.215 490 P C 1.375 178.614 177.300 -0.102 0.000 1.157 490 P CA 0.961 64.009 63.100 -0.086 0.000 0.868 490 P CB 0.017 31.653 31.700 -0.107 0.000 0.788 491 L N -0.653 120.493 121.223 -0.128 0.000 2.013 491 L HA -0.192 4.147 4.340 -0.002 0.000 0.212 491 L C 2.122 178.914 176.870 -0.130 0.000 1.073 491 L CA 2.112 56.868 54.840 -0.139 0.000 0.753 491 L CB -1.276 40.692 42.059 -0.152 0.000 0.890 491 L HN -0.168 nan 8.230 nan 0.000 0.432 492 I N -0.879 119.617 120.570 -0.124 0.000 2.226 492 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 492 I C 2.605 178.661 176.117 -0.101 0.000 1.100 492 I CA 1.241 62.461 61.300 -0.132 0.000 1.374 492 I CB -1.467 36.457 38.000 -0.126 0.000 1.057 492 I HN 0.152 nan 8.210 nan 0.000 0.413 493 V N 0.948 120.821 119.914 -0.069 0.000 2.332 493 V HA -0.262 3.856 4.120 -0.002 0.000 0.248 493 V C 2.459 178.546 176.094 -0.012 0.000 1.055 493 V CA 1.684 63.965 62.300 -0.030 0.000 1.038 493 V CB -0.718 31.098 31.823 -0.012 0.000 0.651 493 V HN 0.427 nan 8.190 nan 0.000 0.450 494 E N 0.346 120.519 120.200 -0.045 0.000 2.058 494 E HA -0.208 4.141 4.350 -0.002 0.000 0.194 494 E C 2.047 178.588 176.600 -0.097 0.000 0.997 494 E CA 1.936 58.286 56.400 -0.083 0.000 0.801 494 E CB -0.231 29.373 29.700 -0.159 0.000 0.746 494 E HN 0.832 nan 8.360 nan 0.000 0.450 495 I N -2.115 118.400 120.570 -0.092 0.000 3.728 495 I HA 0.076 4.244 4.170 -0.002 0.000 0.307 495 I C 1.854 178.025 176.117 0.090 0.000 1.276 495 I CA 0.328 61.619 61.300 -0.015 0.000 1.285 495 I CB 0.104 38.039 38.000 -0.109 0.000 1.038 495 I HN -0.150 nan 8.210 nan 0.000 0.445 496 T N 2.716 117.274 114.554 0.006 0.000 2.699 496 T HA -0.064 4.285 4.350 -0.002 0.000 0.268 496 T C -0.375 174.317 174.700 -0.013 0.000 1.036 496 T CA 2.247 64.294 62.100 -0.087 0.000 1.147 496 T CB -0.979 67.839 68.868 -0.084 0.000 0.862 496 T HN 0.358 nan 8.240 nan 0.000 0.446 497 P HA -0.046 nan 4.420 nan 0.000 0.218 497 P C 1.212 178.466 177.300 -0.076 0.000 1.149 497 P CA 0.865 63.936 63.100 -0.047 0.000 0.817 497 P CB -0.136 31.360 31.700 -0.341 0.000 0.785 498 W N -1.011 120.314 121.300 0.041 0.000 2.436 498 W HA -0.037 4.621 4.660 -0.003 0.000 0.284 498 W C 1.814 178.440 176.519 0.178 0.000 1.225 498 W CA 0.486 57.919 57.345 0.146 0.000 1.271 498 W CB -0.862 28.737 29.460 0.232 0.000 1.114 498 W HN -0.202 nan 8.180 nan 0.000 0.559 499 V N -0.024 119.939 119.914 0.082 0.000 2.343 499 V HA -0.307 3.812 4.120 -0.002 0.000 0.247 499 V C 2.263 178.366 176.094 0.016 0.000 1.051 499 V CA 1.763 63.947 62.300 -0.193 0.000 1.036 499 V CB -1.033 30.501 31.823 -0.482 0.000 0.654 499 V HN 0.154 nan 8.190 nan 0.000 0.451 500 H N -0.235 118.863 119.070 0.047 0.000 2.293 500 H HA -0.184 4.370 4.556 -0.002 0.000 0.300 500 H C 2.396 177.751 175.328 0.044 0.000 1.082 500 H CA 2.247 58.311 56.048 0.026 0.000 1.308 500 H CB -0.235 29.517 29.762 -0.017 0.000 1.375 500 H HN 0.402 nan 8.280 nan 0.000 0.495 501 Q N 0.110 120.019 119.800 0.182 0.000 2.124 501 Q HA -0.116 4.223 4.340 -0.002 0.000 0.202 501 Q C 2.183 178.278 176.000 0.159 0.000 0.977 501 Q CA 1.068 56.930 55.803 0.098 0.000 0.850 501 Q CB -0.459 28.296 28.738 0.027 0.000 0.901 501 Q HN 0.315 nan 8.270 nan 0.000 0.429 502 F N 0.788 120.813 119.950 0.124 0.000 2.134 502 F HA -0.157 4.368 4.527 -0.003 0.000 0.299 502 F C 2.043 177.882 175.800 0.066 0.000 1.097 502 F CA 1.744 59.840 58.000 0.160 0.000 1.264 502 F CB -0.127 39.091 39.000 0.363 0.000 1.001 502 F HN 0.013 nan 8.300 nan 0.000 0.479 503 K N 0.271 120.756 120.400 0.142 0.000 2.057 503 K HA -0.142 4.177 4.320 -0.002 0.000 0.206 503 K C 2.138 178.668 176.600 -0.117 0.000 1.050 503 K CA 1.587 57.865 56.287 -0.015 0.000 0.935 503 K CB -0.316 32.221 32.500 0.062 0.000 0.715 503 K HN 0.354 nan 8.250 nan 0.000 0.439 504 L N 0.360 121.528 121.223 -0.092 0.000 2.131 504 L HA -0.160 4.179 4.340 -0.002 0.000 0.210 504 L C 2.356 179.069 176.870 -0.262 0.000 1.092 504 L CA 1.257 55.993 54.840 -0.173 0.000 0.759 504 L CB -0.575 41.395 42.059 -0.149 0.000 0.903 504 L HN 0.229 nan 8.230 nan 0.000 0.435 505 T N 0.011 114.415 114.554 -0.249 0.000 2.708 505 T HA -0.191 4.158 4.350 -0.002 0.000 0.266 505 T C 2.055 176.467 174.700 -0.480 0.000 1.037 505 T CA 1.439 63.344 62.100 -0.324 0.000 1.146 505 T CB -0.240 68.484 68.868 -0.241 0.000 0.865 505 T HN 0.456 nan 8.240 nan 0.000 0.435 506 A N 1.499 124.035 122.820 -0.473 0.000 1.902 506 A HA -0.145 4.174 4.320 -0.002 0.000 0.217 506 A C 2.211 179.469 177.584 -0.543 0.000 1.181 506 A CA 1.696 53.426 52.037 -0.511 0.000 0.623 506 A CB -0.569 18.235 19.000 -0.326 0.000 0.818 506 A HN 0.571 nan 8.150 nan 0.000 0.443 507 E N -1.081 118.885 120.200 -0.389 0.000 2.077 507 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 507 E C 2.049 178.381 176.600 -0.447 0.000 0.989 507 E CA 1.365 57.559 56.400 -0.344 0.000 0.800 507 E CB -0.242 29.291 29.700 -0.278 0.000 0.746 507 E HN 0.723 nan 8.360 nan 0.000 0.452 508 M N 0.358 119.661 119.600 -0.494 0.000 2.159 508 M HA -0.110 4.369 4.480 -0.002 0.000 0.263 508 M C 2.146 178.101 176.300 -0.574 0.000 1.063 508 M CA 1.900 56.890 55.300 -0.517 0.000 1.110 508 M CB -0.165 32.147 32.600 -0.481 0.000 1.374 508 M HN 0.150 nan 8.290 nan 0.000 0.411 509 G N 0.049 108.334 108.800 -0.858 0.000 2.421 509 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.216 509 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.216 509 G C 1.236 175.678 174.900 -0.763 0.000 1.171 509 G CA 1.045 45.379 45.100 -1.277 0.000 0.775 509 G HN 0.599 nan 8.290 nan 0.000 0.543 510 E N 0.310 120.170 120.200 -0.567 0.000 2.085 510 E HA -0.134 4.215 4.350 -0.002 0.000 0.194 510 E C 2.469 178.982 176.600 -0.144 0.000 0.994 510 E CA 1.063 57.350 56.400 -0.188 0.000 0.801 510 E CB -0.041 29.584 29.700 -0.124 0.000 0.743 510 E HN 0.372 nan 8.360 nan 0.000 0.453 511 E N 0.402 120.472 120.200 -0.218 0.000 2.152 511 E HA -0.096 4.253 4.350 -0.002 0.000 0.192 511 E C 2.317 178.839 176.600 -0.130 0.000 0.983 511 E CA 0.507 56.806 56.400 -0.168 0.000 0.818 511 E CB -0.077 29.465 29.700 -0.264 0.000 0.758 511 E HN 0.129 nan 8.360 nan 0.000 0.467 512 V N 1.598 121.417 119.914 -0.159 0.000 2.427 512 V HA -0.197 3.922 4.120 -0.002 0.000 0.248 512 V C 2.469 178.560 176.094 -0.005 0.000 1.051 512 V CA 1.155 63.426 62.300 -0.049 0.000 1.048 512 V CB -0.451 31.340 31.823 -0.052 0.000 0.666 512 V HN 0.202 nan 8.190 nan 0.000 0.456 513 L N -0.544 120.640 121.223 -0.065 0.000 2.141 513 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 513 L C 2.575 179.555 176.870 0.184 0.000 1.094 513 L CA 1.450 56.250 54.840 -0.068 0.000 0.763 513 L CB -0.558 41.297 42.059 -0.339 0.000 0.908 513 L HN 0.309 nan 8.230 nan 0.000 0.437 514 K N -0.164 120.336 120.400 0.166 0.000 2.097 514 K HA -0.107 4.212 4.320 -0.002 0.000 0.205 514 K C 2.090 178.890 176.600 0.333 0.000 1.050 514 K CA 1.181 57.643 56.287 0.291 0.000 0.938 514 K CB -0.117 32.527 32.500 0.241 0.000 0.718 514 K HN 0.308 nan 8.250 nan 0.000 0.442 515 M N 0.430 120.135 119.600 0.176 0.000 2.279 515 M HA -0.151 4.327 4.480 -0.002 0.000 0.264 515 M C 2.125 178.692 176.300 0.445 0.000 1.062 515 M CA 1.137 56.548 55.300 0.186 0.000 1.099 515 M CB -0.139 32.426 32.600 -0.059 0.000 1.394 515 M HN -0.072 nan 8.290 nan 0.000 0.426 516 V N 0.605 120.758 119.914 0.399 0.000 2.446 516 V HA -0.173 3.946 4.120 -0.002 0.000 0.244 516 V C 1.849 178.272 176.094 0.548 0.000 1.039 516 V CA 1.675 64.267 62.300 0.488 0.000 1.045 516 V CB -0.450 31.571 31.823 0.330 0.000 0.681 516 V HN 0.546 nan 8.190 nan 0.000 0.459 517 E N 1.159 121.662 120.200 0.506 0.000 2.296 517 E HA 0.149 4.498 4.350 -0.002 0.000 0.196 517 E C 0.812 177.629 176.600 0.362 0.000 1.143 517 E CA -0.102 56.538 56.400 0.401 0.000 1.145 517 E CB -0.170 29.710 29.700 0.299 0.000 1.215 517 E HN 0.429 nan 8.360 nan 0.000 0.447 518 G N 1.781 110.856 108.800 0.458 0.000 2.327 518 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.278 518 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.278 518 G C 0.470 175.620 174.900 0.417 0.000 1.145 518 G CA -0.493 44.929 45.100 0.537 0.000 1.097 518 G HN 0.215 nan 8.290 nan 0.000 0.430 519 R N 1.449 122.118 120.500 0.282 0.000 2.080 519 R HA -0.081 4.258 4.340 -0.002 0.000 0.236 519 R C 0.834 177.259 176.300 0.209 0.000 1.137 519 R CA 1.910 58.082 56.100 0.120 0.000 0.943 519 R CB -0.151 30.049 30.300 -0.167 0.000 0.846 519 R HN 0.832 nan 8.270 nan 0.000 0.431 520 N N -2.530 116.357 118.700 0.311 0.000 2.636 520 N HA 0.040 4.779 4.740 -0.002 0.000 0.261 520 N C -0.396 175.324 175.510 0.350 0.000 1.195 520 N CA -0.660 52.557 53.050 0.279 0.000 0.902 520 N CB 1.122 39.718 38.487 0.181 0.000 1.627 520 N HN -0.004 nan 8.380 nan 0.000 0.491 521 E N 0.675 121.037 120.200 0.270 0.000 2.147 521 E HA -0.302 4.047 4.350 -0.002 0.000 0.199 521 E C 1.039 177.767 176.600 0.213 0.000 1.005 521 E CA 2.409 58.931 56.400 0.204 0.000 0.810 521 E CB -0.017 29.601 29.700 -0.137 0.000 0.736 521 E HN 0.689 nan 8.360 nan 0.000 0.460 522 S N -0.631 115.176 115.700 0.179 0.000 2.371 522 S HA -0.203 4.265 4.470 -0.002 0.000 0.224 522 S C 2.020 176.724 174.600 0.173 0.000 1.029 522 S CA 0.938 59.222 58.200 0.140 0.000 0.978 522 S CB -0.791 62.481 63.200 0.119 0.000 0.833 522 S HN 0.512 nan 8.310 nan 0.000 0.466 523 Y N 1.795 122.169 120.300 0.123 0.000 2.128 523 Y HA -0.119 4.429 4.550 -0.002 0.000 0.284 523 Y C 2.068 178.046 175.900 0.130 0.000 1.154 523 Y CA 1.450 59.620 58.100 0.118 0.000 1.149 523 Y CB -0.816 37.726 38.460 0.137 0.000 0.976 523 Y HN 0.280 nan 8.280 nan 0.000 0.505 524 F N 0.244 120.260 119.950 0.109 0.000 2.091 524 F HA -0.299 4.226 4.527 -0.002 0.000 0.299 524 F C 1.960 177.670 175.800 -0.150 0.000 1.103 524 F CA 2.031 60.017 58.000 -0.024 0.000 1.228 524 F CB -0.505 38.489 39.000 -0.011 0.000 0.984 524 F HN 0.047 nan 8.300 nan 0.000 0.477 525 L N -0.410 120.826 121.223 0.022 0.000 2.141 525 L HA -0.160 4.179 4.340 -0.002 0.000 0.209 525 L C 2.586 179.433 176.870 -0.037 0.000 1.094 525 L CA 1.084 55.903 54.840 -0.035 0.000 0.763 525 L CB -0.649 41.413 42.059 0.005 0.000 0.908 525 L HN 0.078 nan 8.230 nan 0.000 0.437 526 R N 0.104 120.546 120.500 -0.096 0.000 2.070 526 R HA -0.128 4.210 4.340 -0.002 0.000 0.233 526 R C 2.393 178.592 176.300 -0.168 0.000 1.137 526 R CA 1.135 57.157 56.100 -0.130 0.000 0.945 526 R CB -0.134 30.067 30.300 -0.165 0.000 0.845 526 R HN 0.216 nan 8.270 nan 0.000 0.430 527 K N 0.044 120.266 120.400 -0.295 0.000 2.057 527 K HA -0.195 4.124 4.320 -0.002 0.000 0.207 527 K C 1.986 178.479 176.600 -0.178 0.000 1.049 527 K CA 1.316 57.447 56.287 -0.260 0.000 0.931 527 K CB -0.670 31.604 32.500 -0.376 0.000 0.714 527 K HN 0.265 nan 8.250 nan 0.000 0.440 528 Y N 2.696 122.786 120.300 -0.350 0.000 2.081 528 Y HA -0.301 4.248 4.550 -0.002 0.000 0.280 528 Y C 1.752 177.601 175.900 -0.086 0.000 1.163 528 Y CA 2.038 60.016 58.100 -0.205 0.000 1.135 528 Y CB -0.584 37.690 38.460 -0.310 0.000 0.970 528 Y HN 0.209 nan 8.280 nan 0.000 0.498 529 N N -1.564 117.109 118.700 -0.046 0.000 2.188 529 N HA -0.210 4.528 4.740 -0.002 0.000 0.184 529 N C 1.867 177.319 175.510 -0.097 0.000 1.018 529 N CA 0.984 53.980 53.050 -0.090 0.000 0.858 529 N CB -0.406 38.081 38.487 -0.000 0.000 0.989 529 N HN 0.518 nan 8.380 nan 0.000 0.426 530 H N 0.221 119.169 119.070 -0.204 0.000 2.353 530 H HA -0.061 4.494 4.556 -0.001 0.000 0.300 530 H C 1.892 177.057 175.328 -0.271 0.000 1.090 530 H CA 0.907 56.829 56.048 -0.211 0.000 1.327 530 H CB 0.237 29.883 29.762 -0.194 0.000 1.383 530 H HN 0.008 nan 8.280 nan 0.000 0.508 531 V N 1.472 121.196 119.914 -0.316 0.000 2.255 531 V HA -0.270 3.849 4.120 -0.002 0.000 0.247 531 V C 2.387 178.173 176.094 -0.513 0.000 1.051 531 V CA 1.748 63.745 62.300 -0.505 0.000 1.018 531 V CB -0.345 31.100 31.823 -0.631 0.000 0.641 531 V HN 0.400 nan 8.190 nan 0.000 0.445 532 K N 0.447 120.553 120.400 -0.490 0.000 2.152 532 K HA -0.110 4.209 4.320 -0.002 0.000 0.206 532 K C 2.164 178.632 176.600 -0.221 0.000 1.048 532 K CA 1.631 57.690 56.287 -0.381 0.000 0.933 532 K CB -0.709 31.555 32.500 -0.395 0.000 0.721 532 K HN 0.521 nan 8.250 nan 0.000 0.447 533 A N 0.918 123.624 122.820 -0.191 0.000 1.970 533 A HA 0.016 4.335 4.320 -0.002 0.000 0.216 533 A C 2.280 179.774 177.584 -0.149 0.000 1.170 533 A CA 0.581 52.550 52.037 -0.115 0.000 0.645 533 A CB -0.351 18.618 19.000 -0.051 0.000 0.816 533 A HN 0.135 nan 8.150 nan 0.000 0.447 534 L N -1.004 120.073 121.223 -0.245 0.000 2.056 534 L HA -0.193 4.145 4.340 -0.002 0.000 0.207 534 L C 2.795 179.475 176.870 -0.316 0.000 1.078 534 L CA 1.552 56.213 54.840 -0.297 0.000 0.749 534 L CB -0.394 41.412 42.059 -0.422 0.000 0.901 534 L HN 0.427 nan 8.230 nan 0.000 0.433 535 Q N 0.406 119.986 119.800 -0.366 0.000 2.096 535 Q HA -0.256 4.082 4.340 -0.002 0.000 0.204 535 Q C 2.161 177.873 176.000 -0.479 0.000 0.982 535 Q CA 1.814 57.326 55.803 -0.485 0.000 0.850 535 Q CB -0.146 28.347 28.738 -0.407 0.000 0.901 535 Q HN 0.442 nan 8.270 nan 0.000 0.422 536 Q N -0.588 119.138 119.800 -0.123 0.000 2.124 536 Q HA -0.201 4.138 4.340 -0.002 0.000 0.202 536 Q C 2.129 178.147 176.000 0.031 0.000 0.977 536 Q CA 1.515 57.377 55.803 0.097 0.000 0.850 536 Q CB -0.080 28.753 28.738 0.159 0.000 0.901 536 Q HN 0.499 nan 8.270 nan 0.000 0.429 537 Q N -0.023 119.732 119.800 -0.075 0.000 2.119 537 Q HA -0.116 4.223 4.340 -0.002 0.000 0.201 537 Q C 1.933 177.910 176.000 -0.038 0.000 0.972 537 Q CA 1.154 56.926 55.803 -0.053 0.000 0.847 537 Q CB 0.125 28.794 28.738 -0.115 0.000 0.903 537 Q HN 0.423 nan 8.270 nan 0.000 0.433 538 M N -1.058 118.426 119.600 -0.193 0.000 2.175 538 M HA -0.105 4.374 4.480 -0.002 0.000 0.264 538 M C 1.617 177.837 176.300 -0.133 0.000 1.063 538 M CA 1.358 56.523 55.300 -0.225 0.000 1.119 538 M CB -0.207 32.168 32.600 -0.376 0.000 1.377 538 M HN 0.216 nan 8.290 nan 0.000 0.415 539 F N -0.971 118.937 119.950 -0.070 0.000 2.134 539 F HA -0.280 4.245 4.527 -0.003 0.000 0.299 539 F C 2.514 178.278 175.800 -0.059 0.000 1.097 539 F CA 0.984 58.928 58.000 -0.094 0.000 1.264 539 F CB -0.577 38.341 39.000 -0.136 0.000 1.001 539 F HN 0.072 nan 8.300 nan 0.000 0.479 540 Y N 1.279 121.618 120.300 0.064 0.000 2.097 540 Y HA -0.270 4.279 4.550 -0.001 0.000 0.282 540 Y C 2.228 178.103 175.900 -0.042 0.000 1.152 540 Y CA 1.554 59.654 58.100 -0.000 0.000 1.136 540 Y CB -0.519 37.925 38.460 -0.027 0.000 0.975 540 Y HN -0.038 nan 8.280 nan 0.000 0.498 541 I N 0.005 120.570 120.570 -0.009 0.000 2.179 541 I HA -0.295 3.874 4.170 -0.002 0.000 0.242 541 I C 2.006 178.011 176.117 -0.187 0.000 1.088 541 I CA 2.006 63.231 61.300 -0.125 0.000 1.357 541 I CB -0.605 37.352 38.000 -0.071 0.000 1.051 541 I HN 0.226 nan 8.210 nan 0.000 0.409 542 D N 0.482 120.810 120.400 -0.120 0.000 2.354 542 D HA -0.193 4.446 4.640 -0.002 0.000 0.216 542 D C 1.901 178.127 176.300 -0.124 0.000 0.970 542 D CA 1.137 55.071 54.000 -0.110 0.000 0.905 542 D CB 0.182 40.977 40.800 -0.008 0.000 0.903 542 D HN 0.410 nan 8.370 nan 0.000 0.508 543 Q N -1.815 117.884 119.800 -0.169 0.000 2.189 543 Q HA 0.122 4.460 4.340 -0.002 0.000 0.223 543 Q C 1.179 177.031 176.000 -0.247 0.000 0.828 543 Q CA 0.720 56.413 55.803 -0.183 0.000 0.967 543 Q CB 1.210 29.853 28.738 -0.159 0.000 1.139 543 Q HN 0.354 nan 8.270 nan 0.000 0.497 544 T N -3.689 110.667 114.554 -0.329 0.000 2.989 544 T HA 0.206 4.554 4.350 -0.002 0.000 0.250 544 T C 1.057 175.623 174.700 -0.223 0.000 0.981 544 T CA -0.168 61.731 62.100 -0.335 0.000 0.980 544 T CB 0.398 68.912 68.868 -0.590 0.000 1.133 544 T HN -0.150 nan 8.240 nan 0.000 0.489 545 S N 2.560 118.128 115.700 -0.220 0.000 2.616 545 S HA 0.505 4.974 4.470 -0.002 0.000 0.277 545 S C 0.254 174.750 174.600 -0.172 0.000 1.234 545 S CA -0.370 57.720 58.200 -0.183 0.000 1.028 545 S CB 0.710 63.774 63.200 -0.227 0.000 0.988 545 S HN 0.596 nan 8.310 nan 0.000 0.522 546 N N 1.658 120.288 118.700 -0.116 0.000 2.705 546 N HA -0.155 4.584 4.740 -0.002 0.000 0.255 546 N C -0.667 174.827 175.510 -0.027 0.000 1.008 546 N CA 0.331 53.353 53.050 -0.047 0.000 0.742 546 N CB -0.659 37.762 38.487 -0.110 0.000 0.906 546 N HN 0.433 nan 8.380 nan 0.000 0.541 547 Q N 0.497 120.277 119.800 -0.035 0.000 3.170 547 Q HA 0.111 4.450 4.340 -0.002 0.000 0.346 547 Q C 0.298 176.282 176.000 -0.026 0.000 1.333 547 Q CA -0.168 55.608 55.803 -0.045 0.000 0.958 547 Q CB -0.835 27.863 28.738 -0.067 0.000 1.600 547 Q HN 0.781 nan 8.270 nan 0.000 0.482 548 N N -1.096 117.609 118.700 0.009 0.000 2.326 548 N HA 0.098 4.837 4.740 -0.002 0.000 0.239 548 N C -2.025 173.415 175.510 -0.118 0.000 1.301 548 N CA -0.943 52.110 53.050 0.004 0.000 0.909 548 N CB 0.445 39.007 38.487 0.126 0.000 1.156 548 N HN -0.144 nan 8.380 nan 0.000 0.462 549 P HA 0.086 nan 4.420 nan 0.000 0.245 549 P C -0.260 176.658 177.300 -0.636 0.000 1.206 549 P CA 0.742 63.510 63.100 -0.554 0.000 0.781 549 P CB 0.046 31.271 31.700 -0.793 0.000 0.994 550 Y N -0.498 119.817 120.300 0.025 0.000 2.333 550 Y HA 0.259 4.809 4.550 -0.001 0.000 0.287 550 Y C 0.698 176.616 175.900 0.031 0.000 1.149 550 Y CA 0.428 58.543 58.100 0.024 0.000 1.193 550 Y CB -0.451 38.027 38.460 0.030 0.000 1.175 550 Y HN -0.221 nan 8.280 nan 0.000 0.518 551 Q N 1.196 121.109 119.800 0.188 0.000 2.891 551 Q HA 0.317 4.655 4.340 -0.002 0.000 0.242 551 Q C -2.899 173.161 176.000 0.100 0.000 0.959 551 Q CA -2.171 53.710 55.803 0.129 0.000 0.707 551 Q CB 1.700 30.531 28.738 0.155 0.000 1.283 551 Q HN 0.033 nan 8.270 nan 0.000 0.480 552 P HA 0.383 nan 4.420 nan 0.000 0.271 552 P C 0.333 177.625 177.300 -0.013 0.000 1.216 552 P CA 0.712 63.813 63.100 0.002 0.000 0.771 552 P CB 1.412 33.090 31.700 -0.038 0.000 0.864 553 G N 1.316 110.086 108.800 -0.050 0.000 2.306 553 G HA2 0.071 4.030 3.960 -0.002 0.000 0.262 553 G HA3 0.071 4.030 3.960 -0.002 0.000 0.262 553 G C -1.736 173.027 174.900 -0.229 0.000 1.263 553 G CA -0.496 44.529 45.100 -0.126 0.000 1.088 553 G HN 0.453 nan 8.290 nan 0.000 0.489 554 V N 1.774 121.510 119.914 -0.297 0.000 2.555 554 V HA 0.507 4.626 4.120 -0.002 0.000 0.283 554 V C -0.770 175.161 176.094 -0.270 0.000 1.020 554 V CA -1.056 60.907 62.300 -0.562 0.000 0.883 554 V CB 1.498 32.864 31.823 -0.762 0.000 1.030 554 V HN 0.707 nan 8.190 nan 0.000 0.448 555 K N 1.979 122.294 120.400 -0.143 0.000 2.164 555 K HA 0.847 5.166 4.320 -0.002 0.000 0.258 555 K C -0.293 176.290 176.600 -0.028 0.000 0.951 555 K CA -0.500 55.700 56.287 -0.144 0.000 0.844 555 K CB 2.492 34.810 32.500 -0.302 0.000 1.099 555 K HN 0.615 nan 8.250 nan 0.000 0.435 556 T N -0.836 113.756 114.554 0.063 0.000 2.889 556 T HA 0.468 4.817 4.350 -0.002 0.000 0.315 556 T C -1.016 173.797 174.700 0.187 0.000 1.291 556 T CA 0.236 62.455 62.100 0.198 0.000 1.028 556 T CB 0.888 69.974 68.868 0.362 0.000 1.235 556 T HN 0.677 nan 8.240 nan 0.000 0.491 557 A N 1.611 124.576 122.820 0.242 0.000 2.704 557 A HA -0.170 4.148 4.320 -0.002 0.000 0.299 557 A C 1.309 178.984 177.584 0.151 0.000 1.507 557 A CA 2.147 54.316 52.037 0.221 0.000 0.776 557 A CB -2.628 16.478 19.000 0.178 0.000 1.027 557 A HN 1.559 nan 8.150 nan 0.000 0.475 558 T N -3.018 111.641 114.554 0.175 0.000 3.035 558 T HA 0.062 4.411 4.350 -0.002 0.000 0.259 558 T C 1.663 176.448 174.700 0.142 0.000 1.078 558 T CA 1.053 63.250 62.100 0.161 0.000 1.132 558 T CB -0.059 68.956 68.868 0.245 0.000 0.900 558 T HN 0.640 nan 8.240 nan 0.000 0.480 559 R N 0.317 120.904 120.500 0.145 0.000 2.090 559 R HA 0.083 4.422 4.340 -0.002 0.000 0.228 559 R C 1.588 177.948 176.300 0.100 0.000 1.110 559 R CA 1.249 57.418 56.100 0.115 0.000 0.973 559 R CB 0.048 30.413 30.300 0.109 0.000 0.869 559 R HN 0.382 nan 8.270 nan 0.000 0.440 560 V N -0.785 119.192 119.914 0.105 0.000 3.102 560 V HA 0.025 4.144 4.120 -0.002 0.000 0.225 560 V C 1.903 178.044 176.094 0.079 0.000 1.301 560 V CA 0.147 62.501 62.300 0.090 0.000 1.308 560 V CB 0.048 31.928 31.823 0.096 0.000 1.129 560 V HN 0.122 nan 8.190 nan 0.000 0.502 561 I N 0.507 121.122 120.570 0.075 0.000 2.163 561 I HA -0.191 3.978 4.170 -0.002 0.000 0.240 561 I C 2.550 178.692 176.117 0.042 0.000 1.081 561 I CA 1.587 62.923 61.300 0.060 0.000 1.353 561 I CB -0.273 37.739 38.000 0.021 0.000 1.054 561 I HN 0.244 nan 8.210 nan 0.000 0.407 562 K N 1.298 121.714 120.400 0.025 0.000 2.032 562 K HA -0.145 4.174 4.320 -0.002 0.000 0.209 562 K C -0.696 175.916 176.600 0.019 0.000 1.048 562 K CA 1.888 58.172 56.287 -0.006 0.000 0.927 562 K CB -1.449 31.052 32.500 0.002 0.000 0.712 562 K HN 0.124 nan 8.250 nan 0.000 0.441 563 P HA -0.111 nan 4.420 nan 0.000 0.218 563 P C 1.219 178.566 177.300 0.079 0.000 1.149 563 P CA 0.775 63.916 63.100 0.068 0.000 0.817 563 P CB 0.019 31.765 31.700 0.076 0.000 0.785 564 L N -0.535 120.737 121.223 0.082 0.000 1.994 564 L HA -0.159 4.179 4.340 -0.002 0.000 0.208 564 L C 2.175 179.105 176.870 0.099 0.000 1.071 564 L CA 1.908 56.811 54.840 0.104 0.000 0.745 564 L CB -1.160 40.961 42.059 0.104 0.000 0.892 564 L HN -0.145 nan 8.230 nan 0.000 0.431 565 I N -0.242 120.358 120.570 0.050 0.000 2.163 565 I HA -0.300 3.869 4.170 -0.002 0.000 0.243 565 I C 2.098 178.235 176.117 0.035 0.000 1.085 565 I CA 1.451 62.743 61.300 -0.013 0.000 1.347 565 I CB -0.654 37.252 38.000 -0.157 0.000 1.044 565 I HN 0.339 nan 8.210 nan 0.000 0.408 566 D N 0.850 121.274 120.400 0.040 0.000 2.084 566 D HA -0.146 4.493 4.640 -0.002 0.000 0.194 566 D C 2.345 178.746 176.300 0.169 0.000 0.990 566 D CA 1.303 55.361 54.000 0.096 0.000 0.826 566 D CB -0.314 40.529 40.800 0.071 0.000 0.971 566 D HN 0.271 nan 8.370 nan 0.000 0.453 567 R N 0.024 120.607 120.500 0.138 0.000 2.120 567 R HA -0.048 4.291 4.340 -0.002 0.000 0.234 567 R C 2.207 178.611 176.300 0.174 0.000 1.123 567 R CA 1.333 57.519 56.100 0.143 0.000 0.975 567 R CB -0.384 29.992 30.300 0.127 0.000 0.866 567 R HN 0.165 nan 8.270 nan 0.000 0.446 568 T N 0.710 115.380 114.554 0.193 0.000 2.942 568 T HA -0.091 4.258 4.350 -0.002 0.000 0.265 568 T C 1.292 176.133 174.700 0.235 0.000 1.062 568 T CA 0.828 63.057 62.100 0.214 0.000 1.139 568 T CB -0.215 68.745 68.868 0.154 0.000 0.883 568 T HN 0.161 nan 8.240 nan 0.000 0.468 569 F N 2.635 122.628 119.950 0.072 0.000 2.075 569 F HA 0.044 4.570 4.527 -0.002 0.000 0.297 569 F C 2.500 178.367 175.800 0.113 0.000 1.113 569 F CA 1.015 59.055 58.000 0.066 0.000 1.218 569 F CB -0.819 38.179 39.000 -0.004 0.000 0.984 569 F HN 0.139 nan 8.300 nan 0.000 0.472 570 A N -0.447 122.422 122.820 0.080 0.000 1.948 570 A HA -0.221 4.098 4.320 -0.002 0.000 0.220 570 A C 2.151 179.673 177.584 -0.102 0.000 1.177 570 A CA 2.496 54.517 52.037 -0.027 0.000 0.636 570 A CB -1.455 17.592 19.000 0.078 0.000 0.815 570 A HN 0.507 nan 8.150 nan 0.000 0.449 571 T N -1.269 113.250 114.554 -0.059 0.000 2.809 571 T HA -0.063 4.286 4.350 -0.002 0.000 0.260 571 T C 1.853 176.292 174.700 -0.435 0.000 1.039 571 T CA 1.185 63.118 62.100 -0.278 0.000 1.141 571 T CB -0.516 68.281 68.868 -0.119 0.000 0.869 571 T HN 0.182 nan 8.240 nan 0.000 0.437 572 V N 1.503 121.466 119.914 0.082 0.000 2.427 572 V HA -0.125 3.994 4.120 -0.002 0.000 0.248 572 V C 2.486 178.755 176.094 0.292 0.000 1.051 572 V CA 1.378 63.878 62.300 0.334 0.000 1.048 572 V CB -0.481 31.690 31.823 0.580 0.000 0.666 572 V HN 0.322 nan 8.190 nan 0.000 0.456 573 V N 0.344 120.315 119.914 0.095 0.000 2.343 573 V HA -0.295 3.824 4.120 -0.002 0.000 0.247 573 V C 2.467 178.627 176.094 0.109 0.000 1.051 573 V CA 2.583 64.941 62.300 0.096 0.000 1.036 573 V CB -0.765 30.929 31.823 -0.215 0.000 0.654 573 V HN 0.633 nan 8.190 nan 0.000 0.451 574 K N -0.471 119.917 120.400 -0.021 0.000 2.032 574 K HA -0.208 4.111 4.320 -0.002 0.000 0.209 574 K C 2.092 178.774 176.600 0.136 0.000 1.048 574 K CA 1.939 58.220 56.287 -0.010 0.000 0.927 574 K CB -0.244 32.164 32.500 -0.153 0.000 0.712 574 K HN 0.363 nan 8.250 nan 0.000 0.441 575 F N 0.207 120.202 119.950 0.075 0.000 2.234 575 F HA -0.067 4.459 4.527 -0.001 0.000 0.299 575 F C 2.119 177.958 175.800 0.066 0.000 1.087 575 F CA 0.386 58.407 58.000 0.035 0.000 1.340 575 F CB -0.959 38.054 39.000 0.021 0.000 1.031 575 F HN 0.061 nan 8.300 nan 0.000 0.500 576 F N 1.352 121.368 119.950 0.109 0.000 2.163 576 F HA -0.145 4.381 4.527 -0.002 0.000 0.297 576 F C 1.960 177.794 175.800 0.057 0.000 1.094 576 F CA 1.290 59.268 58.000 -0.038 0.000 1.290 576 F CB -0.429 38.279 39.000 -0.486 0.000 1.017 576 F HN -0.178 nan 8.300 nan 0.000 0.483 577 N N 0.411 119.265 118.700 0.258 0.000 2.573 577 N HA -0.107 4.632 4.740 -0.002 0.000 0.187 577 N C 1.366 176.896 175.510 0.034 0.000 1.107 577 N CA 0.822 53.953 53.050 0.135 0.000 0.918 577 N CB -0.167 38.403 38.487 0.138 0.000 0.966 577 N HN 0.562 nan 8.380 nan 0.000 0.448 578 Q N -0.435 119.380 119.800 0.024 0.000 2.390 578 Q HA 0.145 4.484 4.340 -0.002 0.000 0.216 578 Q C 1.782 177.698 176.000 -0.141 0.000 0.916 578 Q CA 0.348 56.131 55.803 -0.034 0.000 0.911 578 Q CB 0.319 29.063 28.738 0.010 0.000 1.035 578 Q HN 0.166 nan 8.270 nan 0.000 0.541 579 K N 0.124 120.396 120.400 -0.213 0.000 2.057 579 K HA -0.085 4.233 4.320 -0.002 0.000 0.206 579 K C 0.812 177.007 176.600 -0.675 0.000 1.050 579 K CA 1.282 57.295 56.287 -0.457 0.000 0.935 579 K CB 0.147 32.319 32.500 -0.546 0.000 0.715 579 K HN 0.100 nan 8.250 nan 0.000 0.439 580 F N 0.266 119.931 119.950 -0.475 0.000 2.678 580 F HA 0.212 4.737 4.527 -0.002 0.000 0.305 580 F C -0.043 175.575 175.800 -0.303 0.000 1.090 580 F CA -0.370 57.354 58.000 -0.461 0.000 1.272 580 F CB 0.071 38.601 39.000 -0.784 0.000 1.060 580 F HN 0.095 nan 8.300 nan 0.000 0.576 581 N N 1.280 119.922 118.700 -0.096 0.000 2.573 581 N HA -0.162 4.577 4.740 -0.002 0.000 0.280 581 N C -0.536 174.936 175.510 -0.063 0.000 1.187 581 N CA 0.153 53.161 53.050 -0.070 0.000 0.717 581 N CB -0.491 37.950 38.487 -0.077 0.000 0.899 581 N HN 0.347 nan 8.380 nan 0.000 0.546 582 A N 2.155 124.960 122.820 -0.026 0.000 2.464 582 A HA 0.541 4.860 4.320 -0.002 0.000 0.268 582 A C 0.377 177.950 177.584 -0.017 0.000 1.244 582 A CA -0.341 51.694 52.037 -0.004 0.000 0.871 582 A CB 0.785 19.877 19.000 0.152 0.000 1.400 582 A HN 0.654 nan 8.150 nan 0.000 0.455 583 H N -0.900 118.213 119.070 0.072 0.000 2.654 583 H HA 0.336 4.891 4.556 -0.002 0.000 0.264 583 H C -0.177 175.181 175.328 0.051 0.000 0.954 583 H CA -0.347 55.733 56.048 0.054 0.000 1.199 583 H CB 0.128 29.916 29.762 0.044 0.000 1.446 583 H HN 0.363 nan 8.280 nan 0.000 0.516 584 L N 2.749 124.056 121.223 0.141 0.000 2.706 584 L HA -0.132 4.207 4.340 -0.002 0.000 0.282 584 L C 0.227 177.174 176.870 0.130 0.000 1.219 584 L CA 0.122 54.968 54.840 0.010 0.000 0.935 584 L CB -0.044 41.852 42.059 -0.272 0.000 1.204 584 L HN 0.357 nan 8.230 nan 0.000 0.491 585 D N 2.919 123.456 120.400 0.228 0.000 2.488 585 D HA 0.131 4.770 4.640 -0.002 0.000 0.238 585 D C 0.640 177.105 176.300 0.275 0.000 1.138 585 D CA 0.534 54.673 54.000 0.233 0.000 0.873 585 D CB 1.399 42.327 40.800 0.212 0.000 1.183 585 D HN 0.563 nan 8.370 nan 0.000 0.458 586 A N 3.037 125.968 122.820 0.184 0.000 2.267 586 A HA 0.173 4.492 4.320 -0.002 0.000 0.213 586 A C 1.026 178.743 177.584 0.221 0.000 1.192 586 A CA 0.495 52.602 52.037 0.116 0.000 0.851 586 A CB -0.395 18.640 19.000 0.058 0.000 0.881 586 A HN 0.640 nan 8.150 nan 0.000 0.494 587 T N -3.050 111.670 114.554 0.277 0.000 2.874 587 T HA 0.453 4.802 4.350 -0.002 0.000 0.281 587 T C 0.922 175.845 174.700 0.371 0.000 0.994 587 T CA 0.476 62.752 62.100 0.293 0.000 1.015 587 T CB 1.410 70.414 68.868 0.227 0.000 1.028 587 T HN 0.227 nan 8.240 nan 0.000 0.523 588 T N -0.908 113.810 114.554 0.274 0.000 3.182 588 T HA 0.199 4.548 4.350 -0.002 0.000 0.244 588 T C 0.473 175.345 174.700 0.286 0.000 0.981 588 T CA -0.080 62.107 62.100 0.146 0.000 1.182 588 T CB -0.768 68.058 68.868 -0.070 0.000 1.043 588 T HN 0.570 nan 8.240 nan 0.000 0.424 589 D N 2.799 123.347 120.400 0.247 0.000 2.662 589 D HA 0.236 4.875 4.640 -0.002 0.000 0.228 589 D C -0.285 176.143 176.300 0.212 0.000 1.093 589 D CA -0.230 53.952 54.000 0.303 0.000 1.075 589 D CB -0.717 40.203 40.800 0.201 0.000 1.122 589 D HN 0.602 nan 8.370 nan 0.000 0.475 590 Y N -0.212 120.186 120.300 0.164 0.000 2.299 590 Y HA 0.540 5.089 4.550 -0.001 0.000 0.335 590 Y C -0.279 175.544 175.900 -0.129 0.000 1.287 590 Y CA -1.215 56.916 58.100 0.050 0.000 1.424 590 Y CB 0.602 39.108 38.460 0.077 0.000 1.326 590 Y HN -0.046 nan 8.280 nan 0.000 0.567 591 M N 3.690 123.013 119.600 -0.463 0.000 2.395 591 M HA 0.497 4.975 4.480 -0.002 0.000 0.307 591 M C -2.331 173.679 176.300 -0.483 0.000 1.091 591 M CA -2.719 52.132 55.300 -0.748 0.000 0.919 591 M CB 0.937 33.267 32.600 -0.450 0.000 1.662 591 M HN 0.720 nan 8.290 nan 0.000 0.440 592 P HA 0.000 nan 4.420 nan 0.000 0.216 592 P CA 0.000 62.987 63.100 -0.188 0.000 0.800 592 P CB 0.000 31.579 31.700 -0.202 0.000 0.726