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 2x0h_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 SWSNPXXNYL TTLGDKLNPS DATA SEQUENCE IQIMWTGDRV ISDITRDGIS WINERIKRPA YIWWNFPVSD YVRDHLLLGP DATA SEQUENCE VYGNDTTIAK EMSGFVTNPM EHAESSKIAI YSVASYAWNP AKYDTWQTWK DATA SEQUENCE DAIRTILPSA AEELECFAMH NSDLGPNGHG YRREESMDIQ PAAERFLKAF DATA SEQUENCE KXXXXYDKAD FETLQYTFER MKESADILLM NTENKPLIVE ITPWVHQFKL DATA SEQUENCE TAEMGEEVLK MVEXRNESYF LRKYNHVKAL QQQMFYIDQT SNQNPYQPGV DATA SEQUENCE KTATRVIKPL IDRTFATVVK FFNQKFNAHL DATTDYMPHK MXXXXXXXXX DATA SEQUENCE LPLQVKANRV LISPXXXXXX XXXXXXXEIE LDAIYPGENI QINFXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXLSAGL QKAPVKFVRF XXXXXXXXXX DATA SEQUENCE XXXQFVLTIE K 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 0.000 176.819 176.870 -0.086 0.000 1.165 5 L CA 0.000 54.801 54.840 -0.064 0.000 0.813 5 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 6 Q N 3.291 123.005 119.800 -0.144 0.000 2.310 6 Q HA 0.495 4.829 4.340 -0.009 0.000 0.270 6 Q C -2.550 173.202 176.000 -0.414 0.000 1.025 6 Q CA -1.804 53.852 55.803 -0.245 0.000 0.772 6 Q CB 2.970 31.553 28.738 -0.258 0.000 1.253 6 Q HN 0.205 nan 8.270 nan 0.000 0.450 7 P HA 0.115 nan 4.420 nan 0.000 0.269 7 P C -2.444 174.710 177.300 -0.244 0.000 1.215 7 P CA -1.040 61.849 63.100 -0.351 0.000 0.780 7 P CB -0.204 31.204 31.700 -0.486 0.000 0.898 8 P HA 0.166 nan 4.420 nan 0.000 0.271 8 P C -2.479 174.831 177.300 0.017 0.000 1.216 8 P CA -1.571 61.510 63.100 -0.032 0.000 0.771 8 P CB -0.619 31.084 31.700 0.004 0.000 0.864 9 P HA 0.089 nan 4.420 nan 0.000 0.274 9 P C 0.995 178.285 177.300 -0.017 0.000 1.237 9 P CA -0.104 63.030 63.100 0.057 0.000 0.793 9 P CB 0.793 32.504 31.700 0.019 0.000 0.977 10 Q N 0.118 119.838 119.800 -0.133 0.000 2.096 10 Q HA -0.160 4.175 4.340 -0.009 0.000 0.204 10 Q C 0.859 176.777 176.000 -0.137 0.000 0.982 10 Q CA 1.703 57.344 55.803 -0.270 0.000 0.850 10 Q CB 0.029 28.356 28.738 -0.685 0.000 0.901 10 Q HN 0.606 nan 8.270 nan 0.000 0.422 11 Q N -0.467 119.279 119.800 -0.090 0.000 2.331 11 Q HA 0.551 4.885 4.340 -0.009 0.000 0.272 11 Q C -2.056 173.938 176.000 -0.011 0.000 1.062 11 Q CA -0.552 55.234 55.803 -0.029 0.000 0.806 11 Q CB 1.678 30.420 28.738 0.007 0.000 1.312 11 Q HN 0.094 nan 8.270 nan 0.000 0.431 12 L N 4.475 125.699 121.223 0.001 0.000 2.543 12 L HA 0.605 4.939 4.340 -0.009 0.000 0.265 12 L C -2.164 174.713 176.870 0.012 0.000 0.945 12 L CA -0.199 54.644 54.840 0.006 0.000 0.869 12 L CB 1.994 44.052 42.059 -0.001 0.000 1.294 12 L HN 0.754 nan 8.230 nan 0.000 0.405 13 I N 5.828 126.408 120.570 0.017 0.000 2.382 13 I HA 0.484 4.649 4.170 -0.009 0.000 0.286 13 I C -0.787 175.337 176.117 0.013 0.000 1.002 13 I CA -0.912 60.399 61.300 0.020 0.000 1.135 13 I CB 1.920 39.940 38.000 0.033 0.000 1.288 13 I HN 0.302 nan 8.210 nan 0.000 0.448 14 V N 6.508 126.427 119.914 0.008 0.000 2.435 14 V HA 0.213 4.328 4.120 -0.009 0.000 0.290 14 V C 0.619 176.716 176.094 0.005 0.000 1.030 14 V CA -0.423 61.878 62.300 0.002 0.000 0.881 14 V CB 1.764 33.586 31.823 -0.003 0.000 0.983 14 V HN 0.686 nan 8.190 nan 0.000 0.445 15 Q N 2.056 121.859 119.800 0.005 0.000 2.376 15 Q HA 0.136 4.470 4.340 -0.009 0.000 0.206 15 Q C 0.785 176.788 176.000 0.005 0.000 0.921 15 Q CA 0.292 56.100 55.803 0.008 0.000 0.911 15 Q CB 0.065 28.810 28.738 0.012 0.000 1.032 15 Q HN 0.847 nan 8.270 nan 0.000 0.510 16 N N 0.184 118.884 118.700 0.000 0.000 2.882 16 N HA -0.131 4.604 4.740 -0.009 0.000 0.249 16 N C -0.881 174.629 175.510 -0.001 0.000 1.079 16 N CA 0.744 53.794 53.050 -0.002 0.000 0.800 16 N CB -0.690 37.797 38.487 0.000 0.000 1.124 16 N HN 0.277 nan 8.380 nan 0.000 0.557 17 K N 0.214 120.613 120.400 -0.001 0.000 2.395 17 K HA 0.635 4.950 4.320 -0.009 0.000 0.247 17 K C -0.192 176.405 176.600 -0.005 0.000 0.973 17 K CA -0.518 55.769 56.287 -0.001 0.000 0.828 17 K CB 1.859 34.362 32.500 0.005 0.000 1.272 17 K HN -0.121 nan 8.250 nan 0.000 0.439 18 T N 0.940 115.491 114.554 -0.005 0.000 2.908 18 T HA 0.625 4.970 4.350 -0.009 0.000 0.290 18 T C -0.564 174.133 174.700 -0.005 0.000 1.034 18 T CA -0.676 61.417 62.100 -0.011 0.000 1.010 18 T CB 1.221 70.080 68.868 -0.016 0.000 1.068 18 T HN 0.372 nan 8.240 nan 0.000 0.481 19 I N 1.578 122.143 120.570 -0.008 0.000 2.571 19 I HA 0.262 4.427 4.170 -0.009 0.000 0.289 19 I C -1.039 175.076 176.117 -0.005 0.000 1.115 19 I CA -0.761 60.539 61.300 0.001 0.000 1.045 19 I CB 2.148 40.155 38.000 0.011 0.000 1.238 19 I HN 0.503 nan 8.210 nan 0.000 0.424 20 D N 5.613 126.015 120.400 0.003 0.000 2.417 20 D HA 0.145 4.780 4.640 -0.009 0.000 0.250 20 D C -0.117 176.189 176.300 0.011 0.000 1.166 20 D CA -0.189 53.812 54.000 0.002 0.000 0.881 20 D CB 0.998 41.803 40.800 0.009 0.000 1.164 20 D HN 0.236 nan 8.370 nan 0.000 0.467 21 L N 5.894 127.115 121.223 -0.002 0.000 2.700 21 L HA 0.059 4.393 4.340 -0.009 0.000 0.276 21 L C -1.928 174.964 176.870 0.037 0.000 1.200 21 L CA -0.562 54.286 54.840 0.013 0.000 0.951 21 L CB -0.174 41.876 42.059 -0.014 0.000 1.226 21 L HN 0.258 nan 8.230 nan 0.000 0.489 22 P HA 0.022 nan 4.420 nan 0.000 0.265 22 P C 0.140 177.517 177.300 0.128 0.000 1.222 22 P CA 0.134 63.291 63.100 0.094 0.000 0.767 22 P CB 0.962 32.739 31.700 0.127 0.000 0.801 23 A N 4.323 127.203 122.820 0.100 0.000 2.019 23 A HA 0.003 4.317 4.320 -0.009 0.000 0.219 23 A C 0.892 178.560 177.584 0.140 0.000 1.164 23 A CA 1.156 53.256 52.037 0.105 0.000 0.644 23 A CB -0.274 18.763 19.000 0.062 0.000 0.805 23 A HN 0.458 nan 8.150 nan 0.000 0.449 24 V N -0.293 119.702 119.914 0.135 0.000 2.483 24 V HA 0.568 4.683 4.120 -0.009 0.000 0.297 24 V C -0.743 175.439 176.094 0.147 0.000 1.027 24 V CA -0.839 61.512 62.300 0.085 0.000 0.855 24 V CB 0.687 32.525 31.823 0.024 0.000 0.995 24 V HN 0.459 nan 8.190 nan 0.000 0.424 25 Y N 1.210 121.520 120.300 0.016 0.000 2.588 25 Y HA 0.773 5.317 4.550 -0.009 0.000 0.343 25 Y C -0.692 175.215 175.900 0.012 0.000 1.065 25 Y CA -1.292 56.818 58.100 0.016 0.000 1.038 25 Y CB 2.076 40.546 38.460 0.018 0.000 1.297 25 Y HN 0.577 nan 8.280 nan 0.000 0.467 26 Q N 3.020 122.891 119.800 0.119 0.000 2.363 26 Q HA 0.438 4.773 4.340 -0.009 0.000 0.265 26 Q C -2.049 174.047 176.000 0.160 0.000 1.032 26 Q CA -1.021 54.811 55.803 0.048 0.000 0.746 26 Q CB 1.547 30.300 28.738 0.025 0.000 1.237 26 Q HN 0.875 nan 8.270 nan 0.000 0.475 27 L N 4.251 125.587 121.223 0.189 0.000 2.313 27 L HA 0.376 4.711 4.340 -0.009 0.000 0.282 27 L C -1.067 175.858 176.870 0.091 0.000 1.092 27 L CA 0.368 55.319 54.840 0.184 0.000 0.831 27 L CB 0.899 43.104 42.059 0.243 0.000 1.159 27 L HN 0.585 nan 8.230 nan 0.000 0.442 28 N N 3.148 121.891 118.700 0.072 0.000 2.443 28 N HA 0.625 5.360 4.740 -0.009 0.000 0.269 28 N C 0.403 175.940 175.510 0.046 0.000 0.985 28 N CA 0.564 53.648 53.050 0.055 0.000 0.921 28 N CB 1.299 39.824 38.487 0.064 0.000 1.195 28 N HN 0.792 nan 8.380 nan 0.000 0.492 29 G N 1.517 110.339 108.800 0.037 0.000 2.179 29 G HA2 -0.218 3.736 3.960 -0.009 0.000 0.220 29 G HA3 -0.218 3.736 3.960 -0.009 0.000 0.220 29 G C 1.025 175.937 174.900 0.020 0.000 0.990 29 G CA 0.077 45.194 45.100 0.029 0.000 0.646 29 G HN 0.746 nan 8.290 nan 0.000 0.517 30 G N 0.009 108.823 108.800 0.023 0.000 2.501 30 G HA2 0.025 3.980 3.960 -0.009 0.000 0.220 30 G HA3 0.025 3.980 3.960 -0.009 0.000 0.220 30 G C 1.150 176.057 174.900 0.012 0.000 1.114 30 G CA 1.389 46.500 45.100 0.018 0.000 0.757 30 G HN 0.578 nan 8.290 nan 0.000 0.559 31 E N -0.506 119.701 120.200 0.011 0.000 2.474 31 E HA 0.040 4.384 4.350 -0.009 0.000 0.194 31 E C 1.561 178.160 176.600 -0.002 0.000 1.041 31 E CA 0.135 56.538 56.400 0.005 0.000 0.874 31 E CB 0.284 29.988 29.700 0.007 0.000 0.914 31 E HN 0.322 nan 8.360 nan 0.000 0.498 32 E N -0.323 119.878 120.200 0.001 0.000 2.485 32 E HA 0.165 4.509 4.350 -0.009 0.000 0.213 32 E C 0.360 176.956 176.600 -0.006 0.000 0.923 32 E CA -0.002 56.397 56.400 -0.002 0.000 1.054 32 E CB 0.796 30.499 29.700 0.006 0.000 1.077 32 E HN 0.054 nan 8.360 nan 0.000 0.509 33 A N 2.010 124.828 122.820 -0.004 0.000 2.346 33 A HA 0.136 4.451 4.320 -0.009 0.000 0.252 33 A C 0.534 178.102 177.584 -0.026 0.000 1.089 33 A CA -0.403 51.631 52.037 -0.005 0.000 0.797 33 A CB 0.028 19.028 19.000 -0.001 0.000 1.047 33 A HN 0.041 nan 8.150 nan 0.000 0.494 34 N N 0.947 119.631 118.700 -0.027 0.000 2.332 34 N HA 0.009 4.744 4.740 -0.009 0.000 0.274 34 N C -1.827 173.633 175.510 -0.083 0.000 1.351 34 N CA -1.224 51.785 53.050 -0.068 0.000 0.875 34 N CB 0.464 38.937 38.487 -0.025 0.000 1.140 34 N HN 0.160 nan 8.380 nan 0.000 0.489 35 P HA -0.151 nan 4.420 nan 0.000 0.217 35 P C 0.377 177.664 177.300 -0.021 0.000 1.148 35 P CA 1.522 64.553 63.100 -0.114 0.000 0.828 35 P CB 0.013 31.613 31.700 -0.166 0.000 0.783 36 H N -1.503 117.590 119.070 0.037 0.000 2.428 36 H HA 0.060 4.610 4.556 -0.009 0.000 0.296 36 H C 1.952 177.427 175.328 0.245 0.000 1.062 36 H CA 0.740 56.844 56.048 0.093 0.000 1.350 36 H CB -0.164 29.562 29.762 -0.059 0.000 1.403 36 H HN 0.117 nan 8.280 nan 0.000 0.533 37 A N 0.593 123.593 122.820 0.300 0.000 1.935 37 A HA -0.044 4.271 4.320 -0.009 0.000 0.214 37 A C 2.475 180.095 177.584 0.060 0.000 1.178 37 A CA 0.736 52.882 52.037 0.182 0.000 0.640 37 A CB -0.492 18.568 19.000 0.100 0.000 0.825 37 A HN 0.188 nan 8.150 nan 0.000 0.447 38 V N 0.508 120.448 119.914 0.044 0.000 2.343 38 V HA -0.287 3.827 4.120 -0.009 0.000 0.247 38 V C 2.518 178.627 176.094 0.026 0.000 1.051 38 V CA 2.430 64.738 62.300 0.012 0.000 1.036 38 V CB -0.692 31.137 31.823 0.009 0.000 0.654 38 V HN 0.697 nan 8.190 nan 0.000 0.451 39 K N 0.060 120.497 120.400 0.061 0.000 2.032 39 K HA -0.190 4.125 4.320 -0.009 0.000 0.209 39 K C 2.021 178.651 176.600 0.050 0.000 1.048 39 K CA 1.921 58.246 56.287 0.065 0.000 0.927 39 K CB -0.311 32.249 32.500 0.099 0.000 0.712 39 K HN 0.307 nan 8.250 nan 0.000 0.441 40 V N 1.384 121.332 119.914 0.056 0.000 2.287 40 V HA -0.264 3.851 4.120 -0.009 0.000 0.248 40 V C 2.304 178.396 176.094 -0.003 0.000 1.053 40 V CA 1.744 64.053 62.300 0.015 0.000 1.027 40 V CB -0.577 31.223 31.823 -0.039 0.000 0.646 40 V HN 0.371 nan 8.190 nan 0.000 0.447 41 L N 0.265 121.472 121.223 -0.027 0.000 2.013 41 L HA -0.226 4.109 4.340 -0.009 0.000 0.212 41 L C 2.395 179.236 176.870 -0.049 0.000 1.073 41 L CA 2.082 56.887 54.840 -0.058 0.000 0.753 41 L CB -0.717 41.267 42.059 -0.125 0.000 0.890 41 L HN 0.231 nan 8.230 nan 0.000 0.432 42 K N -0.979 119.405 120.400 -0.025 0.000 2.211 42 K HA -0.161 4.154 4.320 -0.009 0.000 0.203 42 K C 2.073 178.673 176.600 0.001 0.000 1.050 42 K CA 0.969 57.251 56.287 -0.009 0.000 0.945 42 K CB -0.125 32.391 32.500 0.026 0.000 0.732 42 K HN 0.360 nan 8.250 nan 0.000 0.451 43 E N 1.260 121.463 120.200 0.005 0.000 2.072 43 E HA -0.132 4.213 4.350 -0.009 0.000 0.190 43 E C 1.738 178.337 176.600 -0.001 0.000 0.982 43 E CA 0.920 57.324 56.400 0.007 0.000 0.803 43 E CB 0.064 29.769 29.700 0.010 0.000 0.755 43 E HN 0.288 nan 8.360 nan 0.000 0.453 44 L N 0.649 121.872 121.223 -0.001 0.000 2.456 44 L HA 0.001 4.336 4.340 -0.009 0.000 0.224 44 L C 1.383 178.243 176.870 -0.016 0.000 1.148 44 L CA 0.321 55.163 54.840 0.002 0.000 0.825 44 L CB -0.164 41.928 42.059 0.055 0.000 0.937 44 L HN 0.042 nan 8.230 nan 0.000 0.450 55 M N 0.917 120.569 119.600 0.085 0.000 2.252 55 M HA 0.347 4.822 4.480 -0.009 0.000 0.348 55 M C -0.280 176.088 176.300 0.113 0.000 1.334 55 M CA -0.458 54.898 55.300 0.094 0.000 1.071 55 M CB 0.458 33.117 32.600 0.099 0.000 1.763 55 M HN 0.497 nan 8.290 nan 0.000 0.452 56 L N 7.360 128.636 121.223 0.089 0.000 2.361 56 L HA 0.370 4.705 4.340 -0.009 0.000 0.278 56 L C -1.042 175.876 176.870 0.080 0.000 1.113 56 L CA 0.612 55.506 54.840 0.091 0.000 0.849 56 L CB 0.169 42.280 42.059 0.086 0.000 1.155 56 L HN 0.593 nan 8.230 nan 0.000 0.452 57 I N 4.340 124.959 120.570 0.082 0.000 2.389 57 I HA 0.323 4.488 4.170 -0.009 0.000 0.288 57 I C -0.280 175.847 176.117 0.017 0.000 0.999 57 I CA -0.315 60.993 61.300 0.014 0.000 1.129 57 I CB 1.564 39.536 38.000 -0.047 0.000 1.288 57 I HN 0.509 nan 8.210 nan 0.000 0.444 58 S N 7.124 122.824 115.700 0.000 0.000 2.456 58 S HA 0.609 5.074 4.470 -0.009 0.000 0.316 58 S C -0.513 174.082 174.600 -0.008 0.000 1.089 58 S CA -0.467 57.757 58.200 0.040 0.000 1.101 58 S CB 1.460 64.742 63.200 0.137 0.000 0.995 58 S HN 0.486 nan 8.310 nan 0.000 0.468 59 I N 2.684 123.253 120.570 -0.003 0.000 2.569 59 I HA 0.851 5.016 4.170 -0.009 0.000 0.296 59 I C -0.026 176.104 176.117 0.020 0.000 1.028 59 I CA 0.075 61.361 61.300 -0.023 0.000 1.082 59 I CB 1.610 39.573 38.000 -0.062 0.000 1.264 59 I HN 0.788 nan 8.210 nan 0.000 0.429 60 G N 4.963 113.783 108.800 0.034 0.000 2.316 60 G HA2 0.302 4.257 3.960 -0.009 0.000 0.296 60 G HA3 0.302 4.257 3.960 -0.009 0.000 0.296 60 G C -2.095 172.845 174.900 0.067 0.000 1.399 60 G CA -0.778 44.352 45.100 0.049 0.000 0.833 60 G HN 0.505 nan 8.290 nan 0.000 0.565 61 E N 0.499 120.735 120.200 0.060 0.000 2.191 61 E HA 0.467 4.812 4.350 -0.009 0.000 0.274 61 E C 0.156 176.797 176.600 0.069 0.000 0.948 61 E CA -0.853 55.589 56.400 0.070 0.000 0.802 61 E CB 1.834 31.564 29.700 0.050 0.000 1.137 61 E HN 0.591 nan 8.360 nan 0.000 0.397 62 K N 1.305 121.753 120.400 0.079 0.000 2.511 62 K HA -0.055 4.260 4.320 -0.009 0.000 0.277 62 K C 0.734 177.357 176.600 0.039 0.000 1.025 62 K CA 1.467 57.791 56.287 0.062 0.000 1.112 62 K CB -0.297 32.237 32.500 0.055 0.000 0.859 62 K HN 0.753 nan 8.250 nan 0.000 0.485 63 G N 3.405 112.224 108.800 0.031 0.000 2.313 63 G HA2 -0.207 3.748 3.960 -0.009 0.000 0.215 63 G HA3 -0.207 3.748 3.960 -0.009 0.000 0.215 63 G C -0.394 174.517 174.900 0.020 0.000 1.023 63 G CA 0.010 45.121 45.100 0.019 0.000 0.626 63 G HN 0.702 nan 8.290 nan 0.000 0.503 64 D N 0.991 121.409 120.400 0.029 0.000 2.414 64 D HA 0.287 4.922 4.640 -0.009 0.000 0.242 64 D C 1.427 177.743 176.300 0.028 0.000 1.129 64 D CA 0.242 54.259 54.000 0.028 0.000 0.885 64 D CB 1.314 42.136 40.800 0.037 0.000 1.198 64 D HN 0.396 nan 8.370 nan 0.000 0.437 65 K N 1.483 121.895 120.400 0.020 0.000 2.059 65 K HA -0.252 4.063 4.320 -0.009 0.000 0.212 65 K C 1.758 178.374 176.600 0.027 0.000 1.050 65 K CA 1.947 58.244 56.287 0.016 0.000 0.927 65 K CB -0.128 32.379 32.500 0.012 0.000 0.714 65 K HN 0.438 nan 8.250 nan 0.000 0.447 66 S N 0.210 115.936 115.700 0.042 0.000 2.402 66 S HA -0.143 4.321 4.470 -0.009 0.000 0.233 66 S C 1.809 176.476 174.600 0.111 0.000 1.030 66 S CA 1.566 59.805 58.200 0.066 0.000 1.003 66 S CB -0.573 62.665 63.200 0.064 0.000 0.813 66 S HN 0.342 nan 8.310 nan 0.000 0.477 67 V N -0.332 119.652 119.914 0.117 0.000 3.380 67 V HA 0.406 4.521 4.120 -0.009 0.000 0.307 67 V C 2.009 178.173 176.094 0.117 0.000 1.434 67 V CA 0.060 62.486 62.300 0.210 0.000 1.075 67 V CB -0.621 31.340 31.823 0.229 0.000 0.954 67 V HN 0.568 nan 8.190 nan 0.000 0.444 68 R N 1.735 122.247 120.500 0.022 0.000 2.159 68 R HA -0.159 4.176 4.340 -0.009 0.000 0.237 68 R C 1.950 178.177 176.300 -0.122 0.000 1.131 68 R CA 2.120 58.201 56.100 -0.031 0.000 0.982 68 R CB -0.593 29.688 30.300 -0.031 0.000 0.868 68 R HN 0.523 nan 8.270 nan 0.000 0.453 69 K N -0.158 120.090 120.400 -0.254 0.000 2.442 69 K HA -0.123 4.192 4.320 -0.009 0.000 0.198 69 K C 0.168 176.357 176.600 -0.686 0.000 1.042 69 K CA 1.037 57.018 56.287 -0.510 0.000 0.958 69 K CB 0.140 32.204 32.500 -0.727 0.000 0.766 69 K HN 0.386 nan 8.250 nan 0.000 0.474 70 Y N -0.873 119.418 120.300 -0.016 0.000 2.557 70 Y HA 0.134 4.679 4.550 -0.009 0.000 0.247 70 Y C 1.849 177.677 175.900 -0.121 0.000 1.164 70 Y CA -0.037 58.012 58.100 -0.085 0.000 1.218 70 Y CB 0.237 38.679 38.460 -0.031 0.000 1.210 70 Y HN 0.096 nan 8.280 nan 0.000 0.529 71 S N 0.583 116.286 115.700 0.005 0.000 2.392 71 S HA -0.296 4.168 4.470 -0.009 0.000 0.232 71 S C 1.947 176.528 174.600 -0.031 0.000 1.041 71 S CA 1.464 59.664 58.200 -0.000 0.000 1.026 71 S CB -0.297 62.895 63.200 -0.014 0.000 0.845 71 S HN 0.494 nan 8.310 nan 0.000 0.465 72 R N 0.662 121.128 120.500 -0.057 0.000 2.189 72 R HA 0.060 4.395 4.340 -0.009 0.000 0.223 72 R C 2.290 178.527 176.300 -0.106 0.000 1.092 72 R CA 1.166 57.225 56.100 -0.067 0.000 0.989 72 R CB -0.183 30.082 30.300 -0.059 0.000 0.876 72 R HN 0.539 nan 8.270 nan 0.000 0.457 73 Q N 0.156 119.831 119.800 -0.209 0.000 2.389 73 Q HA 0.078 4.413 4.340 -0.009 0.000 0.204 73 Q C 0.660 176.527 176.000 -0.222 0.000 0.944 73 Q CA 0.573 56.127 55.803 -0.415 0.000 0.908 73 Q CB 0.286 28.279 28.738 -1.242 0.000 1.002 73 Q HN 0.351 nan 8.270 nan 0.000 0.493 74 I N 3.611 124.137 120.570 -0.074 0.000 2.396 74 I HA 0.100 4.265 4.170 -0.009 0.000 0.289 74 I C -2.082 174.080 176.117 0.076 0.000 1.056 74 I CA -1.909 59.440 61.300 0.081 0.000 1.365 74 I CB 0.667 38.733 38.000 0.109 0.000 1.407 74 I HN -0.207 nan 8.210 nan 0.000 0.509 75 P HA -0.044 nan 4.420 nan 0.000 0.264 75 P C -0.455 176.876 177.300 0.052 0.000 1.193 75 P CA -0.053 63.129 63.100 0.137 0.000 0.763 75 P CB 0.419 32.273 31.700 0.257 0.000 0.810 76 D N 3.169 123.499 120.400 -0.116 0.000 2.845 76 D HA 0.044 4.679 4.640 -0.009 0.000 0.235 76 D C -0.516 175.433 176.300 -0.585 0.000 1.158 76 D CA 0.125 53.964 54.000 -0.267 0.000 0.990 76 D CB -0.675 39.970 40.800 -0.259 0.000 1.094 76 D HN 0.336 nan 8.370 nan 0.000 0.486 77 H N 0.680 119.653 119.070 -0.162 0.000 2.806 77 H HA 0.233 4.784 4.556 -0.009 0.000 0.367 77 H C 0.192 175.487 175.328 -0.055 0.000 1.136 77 H CA -0.826 55.110 56.048 -0.186 0.000 1.178 77 H CB 1.488 31.013 29.762 -0.396 0.000 1.718 77 H HN 0.002 nan 8.280 nan 0.000 0.540 78 K N 1.871 122.302 120.400 0.052 0.000 2.511 78 K HA -0.098 4.217 4.320 -0.009 0.000 0.280 78 K C 0.307 176.989 176.600 0.136 0.000 1.008 78 K CA 0.768 57.096 56.287 0.068 0.000 1.050 78 K CB 0.474 32.985 32.500 0.018 0.000 0.889 78 K HN 0.765 nan 8.250 nan 0.000 0.484 79 E N -1.046 119.274 120.200 0.200 0.000 3.628 79 E HA -0.175 4.170 4.350 -0.009 0.000 0.309 79 E C 0.544 177.440 176.600 0.492 0.000 0.839 79 E CA 0.639 57.254 56.400 0.358 0.000 1.123 79 E CB -1.438 28.538 29.700 0.459 0.000 1.568 79 E HN 0.866 nan 8.360 nan 0.000 0.440 80 G N 0.182 109.199 108.800 0.362 0.000 2.599 80 G HA2 0.453 4.408 3.960 -0.009 0.000 0.264 80 G HA3 0.453 4.408 3.960 -0.009 0.000 0.264 80 G C -0.343 174.840 174.900 0.472 0.000 1.200 80 G CA 0.259 45.592 45.100 0.388 0.000 0.896 80 G HN 0.265 nan 8.290 nan 0.000 0.536 81 Y N -1.963 118.534 120.300 0.328 0.000 2.624 81 Y HA 0.609 5.154 4.550 -0.009 0.000 0.334 81 Y C -1.851 174.222 175.900 0.289 0.000 1.155 81 Y CA -2.058 56.204 58.100 0.271 0.000 1.046 81 Y CB 1.319 39.920 38.460 0.234 0.000 1.316 81 Y HN 0.642 nan 8.280 nan 0.000 0.457 82 Y N 3.482 123.937 120.300 0.258 0.000 2.352 82 Y HA 0.733 5.278 4.550 -0.009 0.000 0.339 82 Y C -1.726 174.311 175.900 0.229 0.000 0.992 82 Y CA -1.775 56.416 58.100 0.152 0.000 1.100 82 Y CB 1.594 40.111 38.460 0.095 0.000 1.192 82 Y HN 0.948 nan 8.280 nan 0.000 0.458 83 L N 5.530 126.560 121.223 -0.322 0.000 2.362 83 L HA 0.726 5.061 4.340 -0.009 0.000 0.275 83 L C -1.126 175.356 176.870 -0.647 0.000 0.998 83 L CA -0.305 54.347 54.840 -0.314 0.000 0.820 83 L CB 1.684 43.787 42.059 0.073 0.000 1.270 83 L HN 0.681 nan 8.230 nan 0.000 0.415 84 S N 3.234 118.609 115.700 -0.541 0.000 2.575 84 S HA 0.781 5.246 4.470 -0.009 0.000 0.278 84 S C -1.484 173.025 174.600 -0.152 0.000 1.139 84 S CA -0.456 57.519 58.200 -0.375 0.000 0.954 84 S CB 1.782 64.729 63.200 -0.422 0.000 1.054 84 S HN 0.379 nan 8.310 nan 0.000 0.483 85 V N 5.607 125.483 119.914 -0.064 0.000 2.525 85 V HA 0.607 4.722 4.120 -0.009 0.000 0.299 85 V C -0.717 175.381 176.094 0.006 0.000 1.034 85 V CA -0.855 61.446 62.300 0.002 0.000 0.863 85 V CB 1.512 33.361 31.823 0.044 0.000 0.999 85 V HN 0.957 nan 8.190 nan 0.000 0.423 86 N N 1.759 120.470 118.700 0.019 0.000 2.774 86 N HA 0.316 5.051 4.740 -0.009 0.000 0.264 86 N C 0.572 176.102 175.510 0.034 0.000 1.415 86 N CA -0.891 52.175 53.050 0.028 0.000 0.815 86 N CB 1.255 39.764 38.487 0.037 0.000 1.514 86 N HN 0.429 nan 8.380 nan 0.000 0.523 87 E N -0.373 119.846 120.200 0.033 0.000 2.171 87 E HA -0.289 4.056 4.350 -0.009 0.000 0.197 87 E C 1.207 177.831 176.600 0.041 0.000 0.997 87 E CA 1.627 58.047 56.400 0.033 0.000 0.810 87 E CB 0.126 29.844 29.700 0.030 0.000 0.738 87 E HN 0.619 nan 8.360 nan 0.000 0.467 88 K N 0.165 120.593 120.400 0.046 0.000 2.067 88 K HA -0.043 4.272 4.320 -0.009 0.000 0.203 88 K C 0.599 177.235 176.600 0.060 0.000 1.048 88 K CA 1.002 57.321 56.287 0.054 0.000 0.954 88 K CB 0.339 32.876 32.500 0.061 0.000 0.737 88 K HN 0.048 nan 8.250 nan 0.000 0.444 89 E N -0.205 120.030 120.200 0.058 0.000 2.390 89 E HA 0.226 4.571 4.350 -0.009 0.000 0.280 89 E C -1.515 175.099 176.600 0.022 0.000 0.992 89 E CA -0.749 55.684 56.400 0.056 0.000 0.790 89 E CB 1.282 31.035 29.700 0.087 0.000 1.248 89 E HN 0.148 nan 8.360 nan 0.000 0.447 90 I N 2.426 122.997 120.570 0.001 0.000 2.377 90 I HA 0.367 4.532 4.170 -0.009 0.000 0.293 90 I C -0.666 175.378 176.117 -0.122 0.000 0.987 90 I CA -0.990 60.276 61.300 -0.058 0.000 1.185 90 I CB 1.812 39.775 38.000 -0.061 0.000 1.341 90 I HN 0.269 nan 8.210 nan 0.000 0.455 91 V N 7.608 127.400 119.914 -0.203 0.000 2.487 91 V HA 0.457 4.572 4.120 -0.009 0.000 0.298 91 V C -0.294 175.661 176.094 -0.232 0.000 1.028 91 V CA -0.523 61.629 62.300 -0.246 0.000 0.860 91 V CB 1.860 33.410 31.823 -0.456 0.000 0.991 91 V HN 0.474 nan 8.190 nan 0.000 0.427 92 L N 4.640 125.768 121.223 -0.157 0.000 2.462 92 L HA 0.758 5.093 4.340 -0.009 0.000 0.255 92 L C 0.002 176.869 176.870 -0.006 0.000 1.076 92 L CA -0.231 54.527 54.840 -0.137 0.000 0.920 92 L CB 1.460 43.353 42.059 -0.276 0.000 1.214 92 L HN 0.732 nan 8.230 nan 0.000 0.472 93 A N 1.836 124.724 122.820 0.113 0.000 2.323 93 A HA 0.776 5.090 4.320 -0.009 0.000 0.305 93 A C 0.302 178.032 177.584 0.244 0.000 1.275 93 A CA -0.373 51.776 52.037 0.188 0.000 0.804 93 A CB 0.903 20.064 19.000 0.269 0.000 1.152 93 A HN 0.578 nan 8.150 nan 0.000 0.487 94 G N 0.721 109.633 108.800 0.187 0.000 2.476 94 G HA2 0.324 4.279 3.960 -0.009 0.000 0.269 94 G HA3 0.324 4.279 3.960 -0.009 0.000 0.269 94 G C 0.577 175.589 174.900 0.187 0.000 1.195 94 G CA -0.335 44.897 45.100 0.219 0.000 0.843 94 G HN 0.690 nan 8.290 nan 0.000 0.545 95 N N -0.339 118.481 118.700 0.201 0.000 2.457 95 N HA 0.024 4.759 4.740 -0.009 0.000 0.180 95 N C 0.001 175.570 175.510 0.100 0.000 1.050 95 N CA 1.105 54.237 53.050 0.136 0.000 0.906 95 N CB 0.182 38.747 38.487 0.130 0.000 0.968 95 N HN 0.753 nan 8.380 nan 0.000 0.445 96 D N -3.170 117.296 120.400 0.109 0.000 2.692 96 D HA 0.142 4.777 4.640 -0.009 0.000 0.303 96 D C 0.158 176.498 176.300 0.067 0.000 1.278 96 D CA -0.624 53.420 54.000 0.074 0.000 0.852 96 D CB 0.256 41.097 40.800 0.068 0.000 1.375 96 D HN -0.152 nan 8.370 nan 0.000 0.453 97 E N -0.692 119.529 120.200 0.035 0.000 2.110 97 E HA -0.126 4.219 4.350 -0.009 0.000 0.193 97 E C 1.768 178.367 176.600 -0.001 0.000 0.988 97 E CA 0.825 57.234 56.400 0.014 0.000 0.804 97 E CB 0.078 29.770 29.700 -0.014 0.000 0.745 97 E HN 0.332 nan 8.360 nan 0.000 0.458 98 R N 0.225 120.706 120.500 -0.032 0.000 2.081 98 R HA -0.119 4.216 4.340 -0.009 0.000 0.235 98 R C 2.384 178.563 176.300 -0.201 0.000 1.131 98 R CA 1.417 57.412 56.100 -0.174 0.000 0.960 98 R CB -0.423 29.772 30.300 -0.175 0.000 0.856 98 R HN 0.238 nan 8.270 nan 0.000 0.436 99 G N -0.667 108.166 108.800 0.056 0.000 2.469 99 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.219 99 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.219 99 G C 1.289 176.298 174.900 0.182 0.000 1.150 99 G CA 1.420 46.683 45.100 0.271 0.000 0.763 99 G HN 0.349 nan 8.290 nan 0.000 0.561 100 T N -0.327 114.286 114.554 0.098 0.000 2.746 100 T HA -0.164 4.180 4.350 -0.009 0.000 0.267 100 T C 1.979 176.672 174.700 -0.012 0.000 1.039 100 T CA 1.305 63.430 62.100 0.042 0.000 1.142 100 T CB -0.326 68.568 68.868 0.044 0.000 0.866 100 T HN 0.375 nan 8.240 nan 0.000 0.444 101 Y N 0.769 120.994 120.300 -0.125 0.000 2.181 101 Y HA -0.188 4.357 4.550 -0.009 0.000 0.288 101 Y C 2.086 177.935 175.900 -0.084 0.000 1.146 101 Y CA 1.106 59.134 58.100 -0.120 0.000 1.164 101 Y CB -0.400 37.969 38.460 -0.151 0.000 0.982 101 Y HN 0.163 nan 8.280 nan 0.000 0.515 102 Y N -0.245 120.037 120.300 -0.031 0.000 2.224 102 Y HA -0.135 4.409 4.550 -0.009 0.000 0.289 102 Y C 2.671 178.117 175.900 -0.756 0.000 1.146 102 Y CA 0.545 58.490 58.100 -0.258 0.000 1.182 102 Y CB -1.503 36.995 38.460 0.064 0.000 0.983 102 Y HN 0.245 nan 8.280 nan 0.000 0.524 103 A N -0.119 122.194 122.820 -0.844 0.000 1.940 103 A HA -0.152 4.163 4.320 -0.009 0.000 0.219 103 A C 2.268 179.585 177.584 -0.445 0.000 1.176 103 A CA 1.384 52.806 52.037 -1.025 0.000 0.631 103 A CB -0.834 17.870 19.000 -0.494 0.000 0.814 103 A HN 0.342 nan 8.150 nan 0.000 0.446 104 L N -0.578 120.447 121.223 -0.329 0.000 2.156 104 L HA -0.120 4.215 4.340 -0.009 0.000 0.208 104 L C 2.619 179.370 176.870 -0.199 0.000 1.095 104 L CA 1.387 56.095 54.840 -0.220 0.000 0.770 104 L CB -1.193 40.724 42.059 -0.237 0.000 0.914 104 L HN 0.463 nan 8.230 nan 0.000 0.439 105 Q N -0.890 118.719 119.800 -0.318 0.000 2.119 105 Q HA -0.111 4.224 4.340 -0.009 0.000 0.201 105 Q C 2.127 177.997 176.000 -0.217 0.000 0.972 105 Q CA 1.538 57.170 55.803 -0.284 0.000 0.847 105 Q CB -0.516 28.041 28.738 -0.303 0.000 0.903 105 Q HN 0.440 nan 8.270 nan 0.000 0.433 106 T N 1.147 115.566 114.554 -0.224 0.000 2.701 106 T HA -0.098 4.246 4.350 -0.009 0.000 0.263 106 T C 1.505 176.166 174.700 -0.064 0.000 1.040 106 T CA 0.893 62.908 62.100 -0.142 0.000 1.147 106 T CB -0.481 68.340 68.868 -0.078 0.000 0.865 106 T HN 0.192 nan 8.240 nan 0.000 0.426 107 F N 2.438 122.277 119.950 -0.185 0.000 2.085 107 F HA -0.239 4.283 4.527 -0.009 0.000 0.299 107 F C 2.425 178.145 175.800 -0.134 0.000 1.096 107 F CA 1.319 59.229 58.000 -0.150 0.000 1.227 107 F CB -0.686 38.217 39.000 -0.163 0.000 0.983 107 F HN 0.160 nan 8.300 nan 0.000 0.482 108 A N -0.694 122.061 122.820 -0.109 0.000 2.070 108 A HA -0.201 4.114 4.320 -0.009 0.000 0.220 108 A C 2.026 179.486 177.584 -0.207 0.000 1.159 108 A CA 1.661 53.590 52.037 -0.180 0.000 0.656 108 A CB -0.644 18.297 19.000 -0.098 0.000 0.800 108 A HN 0.659 nan 8.150 nan 0.000 0.453 109 Q N -0.755 118.936 119.800 -0.181 0.000 2.398 109 Q HA 0.187 4.522 4.340 -0.009 0.000 0.204 109 Q C 1.680 177.581 176.000 -0.165 0.000 0.932 109 Q CA 0.438 56.152 55.803 -0.147 0.000 0.916 109 Q CB -0.063 28.603 28.738 -0.119 0.000 1.024 109 Q HN 0.658 nan 8.270 nan 0.000 0.504 110 L N 0.233 121.318 121.223 -0.229 0.000 2.179 110 L HA -0.019 4.316 4.340 -0.009 0.000 0.208 110 L C 0.791 177.499 176.870 -0.270 0.000 1.096 110 L CA -0.032 54.669 54.840 -0.232 0.000 0.779 110 L CB -0.052 41.853 42.059 -0.258 0.000 0.922 110 L HN 0.216 nan 8.230 nan 0.000 0.443 111 L N 1.962 122.962 121.223 -0.372 0.000 2.485 111 L HA 0.151 4.486 4.340 -0.009 0.000 0.279 111 L C -0.317 176.435 176.870 -0.196 0.000 1.124 111 L CA 0.800 55.439 54.840 -0.334 0.000 0.888 111 L CB -0.482 41.322 42.059 -0.425 0.000 1.217 111 L HN -0.039 nan 8.230 nan 0.000 0.464 112 K N 4.222 124.533 120.400 -0.148 0.000 2.541 112 K HA 0.269 4.584 4.320 -0.009 0.000 0.250 112 K C -0.532 176.021 176.600 -0.079 0.000 0.950 112 K CA -0.530 55.696 56.287 -0.101 0.000 0.805 112 K CB 1.689 34.137 32.500 -0.086 0.000 1.166 112 K HN 0.504 nan 8.250 nan 0.000 0.430 113 D N 1.366 121.727 120.400 -0.065 0.000 3.076 113 D HA -0.179 4.456 4.640 -0.009 0.000 0.218 113 D C 0.730 177.002 176.300 -0.046 0.000 1.156 113 D CA 2.042 56.013 54.000 -0.049 0.000 0.921 113 D CB -0.913 39.862 40.800 -0.040 0.000 1.113 113 D HN 1.046 nan 8.370 nan 0.000 0.418 114 G N -1.089 107.676 108.800 -0.059 0.000 2.176 114 G HA2 -0.358 3.597 3.960 -0.009 0.000 0.253 114 G HA3 -0.358 3.597 3.960 -0.009 0.000 0.253 114 G C 0.281 175.147 174.900 -0.057 0.000 0.979 114 G CA 0.643 45.711 45.100 -0.052 0.000 0.641 114 G HN 0.476 nan 8.290 nan 0.000 0.530 115 K N -0.454 119.904 120.400 -0.070 0.000 2.208 115 K HA 0.810 5.125 4.320 -0.009 0.000 0.247 115 K C -0.281 176.259 176.600 -0.099 0.000 0.953 115 K CA -0.769 55.479 56.287 -0.066 0.000 0.837 115 K CB 1.896 34.368 32.500 -0.048 0.000 1.131 115 K HN 0.126 nan 8.250 nan 0.000 0.431 116 L N 2.816 123.988 121.223 -0.084 0.000 2.381 116 L HA 0.509 4.844 4.340 -0.009 0.000 0.268 116 L C -2.375 174.458 176.870 -0.062 0.000 0.997 116 L CA -2.258 52.519 54.840 -0.104 0.000 0.818 116 L CB 2.180 44.178 42.059 -0.102 0.000 1.310 116 L HN 0.447 nan 8.230 nan 0.000 0.416 117 P HA 0.116 nan 4.420 nan 0.000 0.281 117 P C -1.062 176.224 177.300 -0.023 0.000 1.249 117 P CA -0.525 62.552 63.100 -0.038 0.000 0.810 117 P CB 0.858 32.534 31.700 -0.040 0.000 1.008 118 E N 1.354 121.547 120.200 -0.010 0.000 2.166 118 E HA 0.314 4.659 4.350 -0.009 0.000 0.279 118 E C -0.432 176.166 176.600 -0.002 0.000 1.095 118 E CA -0.401 55.999 56.400 -0.001 0.000 0.888 118 E CB -0.076 29.628 29.700 0.006 0.000 1.041 118 E HN 0.303 nan 8.360 nan 0.000 0.414 119 V N 1.067 120.978 119.914 -0.006 0.000 3.087 119 V HA 0.587 4.702 4.120 -0.009 0.000 0.306 119 V C -0.925 175.153 176.094 -0.026 0.000 1.187 119 V CA -1.079 61.215 62.300 -0.010 0.000 0.999 119 V CB 1.944 33.759 31.823 -0.014 0.000 1.049 119 V HN 0.654 nan 8.190 nan 0.000 0.431 120 E N 2.267 122.458 120.200 -0.015 0.000 2.199 120 E HA 0.769 5.114 4.350 -0.009 0.000 0.265 120 E C -1.571 175.019 176.600 -0.016 0.000 0.882 120 E CA -0.670 55.712 56.400 -0.031 0.000 0.759 120 E CB 1.961 31.698 29.700 0.061 0.000 1.148 120 E HN 0.822 nan 8.360 nan 0.000 0.412 121 I N 3.917 124.446 120.570 -0.069 0.000 2.545 121 I HA 0.378 4.543 4.170 -0.009 0.000 0.292 121 I C -0.727 175.395 176.117 0.007 0.000 1.040 121 I CA -0.862 60.429 61.300 -0.014 0.000 1.068 121 I CB 2.014 40.028 38.000 0.024 0.000 1.251 121 I HN 0.356 nan 8.210 nan 0.000 0.424 122 K N 4.241 124.653 120.400 0.019 0.000 2.413 122 K HA 0.539 4.854 4.320 -0.009 0.000 0.257 122 K C -1.495 175.039 176.600 -0.109 0.000 0.946 122 K CA -0.713 55.593 56.287 0.033 0.000 0.823 122 K CB 2.004 34.593 32.500 0.149 0.000 1.109 122 K HN 0.376 nan 8.250 nan 0.000 0.427 123 D N 1.808 122.035 120.400 -0.288 0.000 2.596 123 D HA 0.526 5.161 4.640 -0.009 0.000 0.234 123 D C -1.733 174.495 176.300 -0.120 0.000 1.181 123 D CA -0.261 53.522 54.000 -0.361 0.000 0.856 123 D CB 1.299 41.794 40.800 -0.509 0.000 1.498 123 D HN 0.406 nan 8.370 nan 0.000 0.446 124 Y N -1.859 118.350 120.300 -0.152 0.000 2.717 124 Y HA 0.506 5.051 4.550 -0.009 0.000 0.345 124 Y C -3.158 172.002 175.900 -1.233 0.000 1.187 124 Y CA -1.737 56.094 58.100 -0.448 0.000 1.128 124 Y CB 0.639 38.885 38.460 -0.358 0.000 1.360 124 Y HN 0.080 nan 8.280 nan 0.000 0.467 125 P HA 0.324 nan 4.420 nan 0.000 0.286 125 P C -0.285 176.618 177.300 -0.663 0.000 1.261 125 P CA -0.408 61.753 63.100 -1.565 0.000 0.821 125 P CB 2.195 33.227 31.700 -1.114 0.000 1.013 126 S N 0.228 115.589 115.700 -0.564 0.000 2.470 126 S HA 0.077 4.541 4.470 -0.009 0.000 0.225 126 S C 0.895 175.348 174.600 -0.245 0.000 1.006 126 S CA 0.282 58.293 58.200 -0.315 0.000 0.934 126 S CB 0.001 63.017 63.200 -0.306 0.000 0.778 126 S HN 0.324 nan 8.310 nan 0.000 0.517 127 V N 1.977 121.731 119.914 -0.267 0.000 2.495 127 V HA 0.419 4.533 4.120 -0.009 0.000 0.298 127 V C 0.914 176.899 176.094 -0.181 0.000 1.031 127 V CA -0.790 61.401 62.300 -0.182 0.000 0.871 127 V CB 1.902 33.632 31.823 -0.154 0.000 0.988 127 V HN 0.039 nan 8.190 nan 0.000 0.432 128 R N 3.499 123.880 120.500 -0.197 0.000 2.073 128 R HA 0.017 4.352 4.340 -0.009 0.000 0.229 128 R C -0.244 175.785 176.300 -0.453 0.000 1.120 128 R CA 1.537 57.419 56.100 -0.363 0.000 0.967 128 R CB -0.062 29.952 30.300 -0.478 0.000 0.862 128 R HN 0.606 nan 8.270 nan 0.000 0.436 129 Y N -0.155 120.152 120.300 0.010 0.000 2.364 129 Y HA 0.559 5.104 4.550 -0.009 0.000 0.340 129 Y C -0.537 175.363 175.900 0.000 0.000 0.975 129 Y CA -1.008 57.115 58.100 0.039 0.000 1.089 129 Y CB 1.887 40.392 38.460 0.074 0.000 1.192 129 Y HN -0.144 nan 8.280 nan 0.000 0.454 130 R N 1.830 122.465 120.500 0.224 0.000 2.510 130 R HA 0.742 5.076 4.340 -0.009 0.000 0.287 130 R C -0.322 176.061 176.300 0.138 0.000 1.084 130 R CA -0.736 55.465 56.100 0.169 0.000 0.934 130 R CB 2.120 32.508 30.300 0.145 0.000 1.201 130 R HN 0.927 nan 8.270 nan 0.000 0.431 131 G N 0.832 109.694 108.800 0.103 0.000 2.512 131 G HA2 0.297 4.252 3.960 -0.009 0.000 0.181 131 G HA3 0.297 4.252 3.960 -0.009 0.000 0.181 131 G C -1.783 173.088 174.900 -0.049 0.000 1.173 131 G CA -0.431 44.639 45.100 -0.050 0.000 0.988 131 G HN 0.295 nan 8.290 nan 0.000 0.485 132 V N 0.105 119.943 119.914 -0.128 0.000 2.656 132 V HA 0.698 4.813 4.120 -0.009 0.000 0.307 132 V C -0.550 175.454 176.094 -0.150 0.000 1.051 132 V CA -0.762 61.503 62.300 -0.058 0.000 0.893 132 V CB 1.599 33.489 31.823 0.111 0.000 0.999 132 V HN 1.102 nan 8.190 nan 0.000 0.426 133 V N 4.095 123.802 119.914 -0.345 0.000 2.347 133 V HA 0.461 4.576 4.120 -0.009 0.000 0.280 133 V C 0.281 176.003 176.094 -0.621 0.000 1.021 133 V CA -0.266 61.687 62.300 -0.578 0.000 0.847 133 V CB 1.441 32.705 31.823 -0.932 0.000 0.990 133 V HN 1.035 nan 8.190 nan 0.000 0.444 134 E N 5.072 124.852 120.200 -0.700 0.000 1.791 134 E HA 0.355 4.700 4.350 -0.009 0.000 0.263 134 E C 0.667 176.636 176.600 -1.052 0.000 1.213 134 E CA 0.378 56.208 56.400 -0.949 0.000 0.991 134 E CB 0.161 29.256 29.700 -1.007 0.000 1.068 134 E HN 0.935 nan 8.360 nan 0.000 0.417 135 G N 4.631 112.901 108.800 -0.884 0.000 4.238 135 G HA2 0.138 4.093 3.960 -0.009 0.000 0.292 135 G HA3 0.138 4.093 3.960 -0.009 0.000 0.292 135 G C -0.333 174.267 174.900 -0.500 0.000 1.036 135 G CA -0.453 44.238 45.100 -0.682 0.000 0.812 135 G HN 0.423 nan 8.290 nan 0.000 0.489 136 F N -0.964 118.743 119.950 -0.406 0.000 2.380 136 F HA 0.798 5.319 4.527 -0.009 0.000 0.321 136 F C -0.216 175.393 175.800 -0.319 0.000 1.103 136 F CA -2.680 55.156 58.000 -0.273 0.000 1.067 136 F CB 0.458 39.327 39.000 -0.217 0.000 1.265 136 F HN -0.027 nan 8.300 nan 0.000 0.517 137 Y N 0.589 120.971 120.300 0.137 0.000 2.301 137 Y HA 0.553 5.097 4.550 -0.009 0.000 0.325 137 Y C 0.892 176.916 175.900 0.208 0.000 1.203 137 Y CA 0.525 58.668 58.100 0.072 0.000 1.255 137 Y CB 1.027 39.474 38.460 -0.021 0.000 1.232 137 Y HN 1.092 nan 8.280 nan 0.000 0.501 138 G N 0.309 109.296 108.800 0.312 0.000 2.343 138 G HA2 -0.115 3.840 3.960 -0.009 0.000 0.562 138 G HA3 -0.115 3.840 3.960 -0.009 0.000 0.562 138 G C -1.046 174.013 174.900 0.265 0.000 1.269 138 G CA -1.120 44.147 45.100 0.279 0.000 1.011 138 G HN 0.515 nan 8.290 nan 0.000 0.498 139 T N 3.540 118.232 114.554 0.229 0.000 2.793 139 T HA 0.435 4.779 4.350 -0.009 0.000 0.289 139 T C -1.868 173.017 174.700 0.308 0.000 0.956 139 T CA 0.356 62.587 62.100 0.218 0.000 1.177 139 T CB 0.702 69.674 68.868 0.175 0.000 0.897 139 T HN 0.468 nan 8.240 nan 0.000 0.533 140 P HA 0.098 nan 4.420 nan 0.000 0.272 140 P C -0.116 177.399 177.300 0.357 0.000 1.230 140 P CA -0.723 62.468 63.100 0.151 0.000 0.788 140 P CB 0.406 32.123 31.700 0.027 0.000 0.949 141 W N 1.276 122.719 121.300 0.238 0.000 2.257 141 W HA 0.053 4.708 4.660 -0.008 0.000 0.337 141 W C 1.011 177.631 176.519 0.169 0.000 1.321 141 W CA -0.264 57.200 57.345 0.198 0.000 1.267 141 W CB -1.030 28.550 29.460 0.199 0.000 1.187 141 W HN 0.351 nan 8.180 nan 0.000 0.565 142 S N 1.380 117.281 115.700 0.336 0.000 2.576 142 S HA -0.111 4.354 4.470 -0.009 0.000 0.272 142 S C 1.145 175.901 174.600 0.260 0.000 1.352 142 S CA 0.284 58.633 58.200 0.248 0.000 1.021 142 S CB 0.730 64.022 63.200 0.154 0.000 0.887 142 S HN 0.567 nan 8.310 nan 0.000 0.542 143 H N 1.394 120.551 119.070 0.145 0.000 2.289 143 H HA -0.124 4.427 4.556 -0.009 0.000 0.296 143 H C 2.156 177.516 175.328 0.053 0.000 1.091 143 H CA 2.712 58.825 56.048 0.108 0.000 1.274 143 H CB -0.251 29.555 29.762 0.073 0.000 1.364 143 H HN 0.629 nan 8.280 nan 0.000 0.490 144 Q N -0.024 119.782 119.800 0.012 0.000 2.112 144 Q HA -0.144 4.191 4.340 -0.009 0.000 0.206 144 Q C 2.577 178.490 176.000 -0.145 0.000 0.987 144 Q CA 1.479 57.229 55.803 -0.088 0.000 0.858 144 Q CB -0.823 27.898 28.738 -0.027 0.000 0.905 144 Q HN 0.642 nan 8.270 nan 0.000 0.420 145 A N 0.870 123.621 122.820 -0.115 0.000 1.930 145 A HA -0.173 4.142 4.320 -0.009 0.000 0.217 145 A C 2.181 179.602 177.584 -0.272 0.000 1.175 145 A CA 1.299 53.197 52.037 -0.232 0.000 0.627 145 A CB -0.366 18.473 19.000 -0.269 0.000 0.815 145 A HN 0.258 nan 8.150 nan 0.000 0.443 146 R N -0.586 119.848 120.500 -0.110 0.000 2.075 146 R HA 0.014 4.349 4.340 -0.009 0.000 0.232 146 R C 2.054 178.203 176.300 -0.253 0.000 1.126 146 R CA 1.289 57.337 56.100 -0.086 0.000 0.963 146 R CB -0.491 29.882 30.300 0.120 0.000 0.858 146 R HN 0.493 nan 8.270 nan 0.000 0.435 147 L N -0.057 120.999 121.223 -0.279 0.000 1.989 147 L HA -0.252 4.083 4.340 -0.009 0.000 0.211 147 L C 2.655 179.377 176.870 -0.245 0.000 1.071 147 L CA 1.574 56.254 54.840 -0.267 0.000 0.749 147 L CB -0.583 41.308 42.059 -0.280 0.000 0.890 147 L HN 0.248 nan 8.230 nan 0.000 0.431 148 S N -1.087 114.464 115.700 -0.249 0.000 2.382 148 S HA -0.204 4.260 4.470 -0.009 0.000 0.228 148 S C 2.009 176.419 174.600 -0.317 0.000 1.027 148 S CA 1.082 59.137 58.200 -0.242 0.000 0.991 148 S CB -0.084 62.970 63.200 -0.244 0.000 0.823 148 S HN 0.370 nan 8.310 nan 0.000 0.469 149 Q N 0.612 120.142 119.800 -0.450 0.000 2.124 149 Q HA -0.036 4.299 4.340 -0.009 0.000 0.202 149 Q C 2.280 177.674 176.000 -1.011 0.000 0.977 149 Q CA 1.281 56.666 55.803 -0.698 0.000 0.850 149 Q CB -0.511 27.832 28.738 -0.659 0.000 0.901 149 Q HN 0.567 nan 8.270 nan 0.000 0.429 150 L N 0.221 121.055 121.223 -0.650 0.000 2.072 150 L HA -0.159 4.176 4.340 -0.009 0.000 0.205 150 L C 2.365 179.120 176.870 -0.192 0.000 1.079 150 L CA 1.001 55.574 54.840 -0.445 0.000 0.752 150 L CB -0.271 41.659 42.059 -0.214 0.000 0.906 150 L HN 0.115 nan 8.230 nan 0.000 0.436 151 K N -0.430 119.889 120.400 -0.136 0.000 2.063 151 K HA -0.223 4.091 4.320 -0.009 0.000 0.208 151 K C 1.998 178.638 176.600 0.066 0.000 1.048 151 K CA 1.649 57.928 56.287 -0.013 0.000 0.928 151 K CB -0.297 32.193 32.500 -0.016 0.000 0.713 151 K HN 0.067 nan 8.250 nan 0.000 0.442 152 F N 0.335 120.196 119.950 -0.148 0.000 2.234 152 F HA -0.183 4.338 4.527 -0.009 0.000 0.299 152 F C 1.646 177.528 175.800 0.136 0.000 1.087 152 F CA 1.179 59.159 58.000 -0.034 0.000 1.340 152 F CB -0.036 38.914 39.000 -0.084 0.000 1.031 152 F HN -0.003 nan 8.300 nan 0.000 0.500 153 Y N 0.177 120.573 120.300 0.159 0.000 2.145 153 Y HA -0.042 4.503 4.550 -0.008 0.000 0.286 153 Y C 2.771 178.720 175.900 0.080 0.000 1.145 153 Y CA 0.697 58.859 58.100 0.103 0.000 1.148 153 Y CB -1.670 36.887 38.460 0.161 0.000 0.981 153 Y HN 0.074 nan 8.280 nan 0.000 0.507 154 G N -0.158 108.818 108.800 0.293 0.000 2.418 154 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.217 154 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.217 154 G C 1.772 176.808 174.900 0.225 0.000 1.158 154 G CA 0.781 46.105 45.100 0.373 0.000 0.771 154 G HN 0.323 nan 8.290 nan 0.000 0.545 155 K N -0.007 120.418 120.400 0.041 0.000 2.147 155 K HA -0.040 4.275 4.320 -0.009 0.000 0.205 155 K C 1.280 177.743 176.600 -0.228 0.000 1.049 155 K CA 1.157 57.378 56.287 -0.111 0.000 0.936 155 K CB -0.048 32.370 32.500 -0.135 0.000 0.722 155 K HN 0.273 nan 8.250 nan 0.000 0.446 156 N N 0.062 118.610 118.700 -0.253 0.000 2.238 156 N HA 0.082 4.816 4.740 -0.009 0.000 0.222 156 N C -0.973 174.336 175.510 -0.336 0.000 1.133 156 N CA -0.061 52.762 53.050 -0.380 0.000 0.854 156 N CB 0.664 38.853 38.487 -0.496 0.000 1.041 156 N HN -0.020 nan 8.380 nan 0.000 0.510 157 K N -0.197 120.037 120.400 -0.277 0.000 3.088 157 K HA -0.228 4.087 4.320 -0.009 0.000 0.273 157 K C -0.606 175.938 176.600 -0.093 0.000 1.111 157 K CA 0.617 56.619 56.287 -0.475 0.000 0.803 157 K CB -1.551 30.214 32.500 -1.225 0.000 1.226 157 K HN 0.385 nan 8.250 nan 0.000 0.485 158 M N 1.693 121.336 119.600 0.070 0.000 2.146 158 M HA 0.055 4.530 4.480 -0.009 0.000 0.357 158 M C 1.119 177.576 176.300 0.262 0.000 1.261 158 M CA -0.070 55.312 55.300 0.136 0.000 1.106 158 M CB 0.570 33.184 32.600 0.024 0.000 1.612 158 M HN 0.179 nan 8.290 nan 0.000 0.470 159 N N 0.504 119.379 118.700 0.291 0.000 2.204 159 N HA 0.096 4.831 4.740 -0.009 0.000 0.219 159 N C -0.899 174.792 175.510 0.302 0.000 1.151 159 N CA -0.271 52.987 53.050 0.347 0.000 0.867 159 N CB 0.640 39.374 38.487 0.411 0.000 1.043 159 N HN 0.363 nan 8.380 nan 0.000 0.516 160 T N 0.698 115.391 114.554 0.232 0.000 2.937 160 T HA 0.227 4.572 4.350 -0.009 0.000 0.297 160 T C -2.141 172.645 174.700 0.143 0.000 0.991 160 T CA -0.447 61.773 62.100 0.199 0.000 0.990 160 T CB 1.226 70.230 68.868 0.225 0.000 0.991 160 T HN 0.179 nan 8.240 nan 0.000 0.440 161 Y N 4.410 124.716 120.300 0.010 0.000 2.363 161 Y HA 0.611 5.156 4.550 -0.008 0.000 0.325 161 Y C -1.235 174.540 175.900 -0.208 0.000 0.984 161 Y CA -1.559 56.514 58.100 -0.046 0.000 1.248 161 Y CB 0.477 39.021 38.460 0.139 0.000 1.116 161 Y HN 0.604 nan 8.280 nan 0.000 0.470 162 I N 7.776 127.976 120.570 -0.616 0.000 2.291 162 I HA 0.122 4.287 4.170 -0.009 0.000 0.290 162 I C -0.847 174.691 176.117 -0.964 0.000 1.050 162 I CA -0.809 60.108 61.300 -0.637 0.000 1.245 162 I CB 0.428 38.228 38.000 -0.333 0.000 1.405 162 I HN 0.607 nan 8.210 nan 0.000 0.478 163 Y N 6.191 125.777 120.300 -1.190 0.000 2.436 163 Y HA 0.496 5.041 4.550 -0.009 0.000 0.343 163 Y C 0.770 176.174 175.900 -0.826 0.000 1.008 163 Y CA -0.243 57.239 58.100 -1.030 0.000 1.241 163 Y CB 0.903 38.913 38.460 -0.750 0.000 1.153 163 Y HN 0.594 nan 8.280 nan 0.000 0.521 164 G N 6.982 115.045 108.800 -1.228 0.000 5.338 164 G HA2 0.152 4.107 3.960 -0.009 0.000 0.198 164 G HA3 0.152 4.107 3.960 -0.009 0.000 0.198 164 G C -3.288 170.780 174.900 -1.386 0.000 0.708 164 G CA -0.837 43.440 45.100 -1.372 0.000 0.626 164 G HN 0.449 nan 8.290 nan 0.000 0.419 165 P HA 0.145 nan 4.420 nan 0.000 0.266 165 P C 0.968 177.843 177.300 -0.709 0.000 1.215 165 P CA -0.174 62.293 63.100 -1.056 0.000 0.763 165 P CB 1.431 32.605 31.700 -0.877 0.000 0.806 166 K N 2.089 122.099 120.400 -0.652 0.000 2.160 166 K HA -0.148 4.167 4.320 -0.009 0.000 0.206 166 K C 0.543 177.029 176.600 -0.190 0.000 1.047 166 K CA 1.593 57.578 56.287 -0.503 0.000 0.930 166 K CB -0.389 31.466 32.500 -1.074 0.000 0.720 166 K HN 0.509 nan 8.250 nan 0.000 0.450 167 D N 0.883 121.200 120.400 -0.139 0.000 2.342 167 D HA -0.044 4.591 4.640 -0.009 0.000 0.221 167 D C -0.091 176.241 176.300 0.053 0.000 1.101 167 D CA 0.037 54.046 54.000 0.014 0.000 0.837 167 D CB -0.019 40.827 40.800 0.077 0.000 0.938 167 D HN 0.093 nan 8.370 nan 0.000 0.508 168 D N 1.974 122.405 120.400 0.052 0.000 2.338 168 D HA 0.022 4.657 4.640 -0.009 0.000 0.255 168 D C -1.337 175.080 176.300 0.195 0.000 1.237 168 D CA -1.910 52.209 54.000 0.199 0.000 0.883 168 D CB 1.577 42.548 40.800 0.284 0.000 1.087 168 D HN -0.028 nan 8.370 nan 0.000 0.485 169 P HA -0.142 nan 4.420 nan 0.000 0.228 169 P C 0.500 177.647 177.300 -0.256 0.000 1.151 169 P CA 0.864 63.889 63.100 -0.126 0.000 0.770 169 P CB -0.016 31.507 31.700 -0.294 0.000 0.786 170 Y N -1.853 118.509 120.300 0.103 0.000 2.482 170 Y HA 0.038 4.583 4.550 -0.009 0.000 0.270 170 Y C 2.647 178.704 175.900 0.261 0.000 1.152 170 Y CA 0.453 58.520 58.100 -0.056 0.000 1.292 170 Y CB -0.770 37.237 38.460 -0.754 0.000 1.070 170 Y HN 0.130 nan 8.280 nan 0.000 0.528 171 H N -1.598 117.691 119.070 0.364 0.000 2.451 171 H HA 0.217 4.768 4.556 -0.009 0.000 0.294 171 H C 1.147 176.570 175.328 0.158 0.000 1.028 171 H CA 0.921 57.129 56.048 0.266 0.000 1.349 171 H CB 0.452 30.275 29.762 0.101 0.000 1.444 171 H HN 0.055 nan 8.280 nan 0.000 0.538 172 S N -1.054 114.674 115.700 0.047 0.000 2.900 172 S HA 0.691 5.156 4.470 -0.009 0.000 0.320 172 S C -0.830 173.911 174.600 0.234 0.000 1.130 172 S CA -0.458 57.779 58.200 0.063 0.000 0.863 172 S CB 0.521 63.806 63.200 0.142 0.000 1.295 172 S HN 0.629 nan 8.310 nan 0.000 0.596 173 A N 2.224 125.195 122.820 0.251 0.000 2.603 173 A HA 0.275 4.590 4.320 -0.009 0.000 0.235 173 A C -1.699 175.928 177.584 0.071 0.000 1.035 173 A CA -0.068 52.082 52.037 0.188 0.000 0.755 173 A CB -0.392 18.700 19.000 0.153 0.000 0.954 173 A HN 0.668 nan 8.150 nan 0.000 0.511 174 P HA 0.096 nan 4.420 nan 0.000 0.275 174 P C 0.024 177.208 177.300 -0.192 0.000 1.310 174 P CA 0.122 63.195 63.100 -0.044 0.000 0.904 174 P CB 0.414 32.069 31.700 -0.075 0.000 1.381 175 N N 0.607 119.190 118.700 -0.196 0.000 2.295 175 N HA 0.017 4.752 4.740 -0.009 0.000 0.221 175 N C 1.390 176.816 175.510 -0.141 0.000 1.129 175 N CA -0.206 52.681 53.050 -0.272 0.000 0.836 175 N CB -0.581 37.664 38.487 -0.404 0.000 1.040 175 N HN 0.428 nan 8.380 nan 0.000 0.494 176 W N 0.831 122.101 121.300 -0.050 0.000 2.364 176 W HA -0.112 4.543 4.660 -0.008 0.000 0.281 176 W C 0.750 177.301 176.519 0.053 0.000 1.219 176 W CA 0.128 57.491 57.345 0.030 0.000 1.220 176 W CB -0.689 28.752 29.460 -0.032 0.000 1.127 176 W HN 0.054 nan 8.180 nan 0.000 0.556 177 R N 0.727 120.888 120.500 -0.564 0.000 2.235 177 R HA 0.116 4.450 4.340 -0.009 0.000 0.213 177 R C 0.862 177.074 176.300 -0.148 0.000 1.059 177 R CA 0.495 56.304 56.100 -0.486 0.000 0.997 177 R CB -0.370 29.461 30.300 -0.782 0.000 0.884 177 R HN 0.168 nan 8.270 nan 0.000 0.462 178 L N 2.346 123.539 121.223 -0.050 0.000 2.325 178 L HA 0.359 4.694 4.340 -0.009 0.000 0.279 178 L C -2.070 174.830 176.870 0.050 0.000 1.054 178 L CA -2.595 52.264 54.840 0.032 0.000 0.804 178 L CB 1.030 43.162 42.059 0.121 0.000 1.200 178 L HN -0.189 nan 8.230 nan 0.000 0.436 179 P HA -0.013 nan 4.420 nan 0.000 0.269 179 P C -0.989 176.193 177.300 -0.196 0.000 1.215 179 P CA -0.096 62.974 63.100 -0.049 0.000 0.780 179 P CB 0.306 31.991 31.700 -0.025 0.000 0.898 180 Y N 1.502 121.631 120.300 -0.286 0.000 2.597 180 Y HA 0.068 4.613 4.550 -0.009 0.000 0.336 180 Y C -1.148 174.501 175.900 -0.420 0.000 1.216 180 Y CA -0.907 56.852 58.100 -0.568 0.000 1.463 180 Y CB -1.125 37.110 38.460 -0.375 0.000 1.303 180 Y HN 0.356 nan 8.280 nan 0.000 0.576 181 P HA -0.043 nan 4.420 nan 0.000 0.270 181 P C 0.187 177.441 177.300 -0.077 0.000 1.227 181 P CA -0.023 62.997 63.100 -0.134 0.000 0.788 181 P CB 0.752 32.398 31.700 -0.090 0.000 0.926 182 D N 0.596 120.964 120.400 -0.053 0.000 2.133 182 D HA -0.218 4.417 4.640 -0.009 0.000 0.192 182 D C 1.684 177.945 176.300 -0.065 0.000 1.001 182 D CA 1.689 55.657 54.000 -0.053 0.000 0.844 182 D CB -0.274 40.503 40.800 -0.038 0.000 0.944 182 D HN 0.523 nan 8.370 nan 0.000 0.447 183 K N 0.838 121.206 120.400 -0.054 0.000 2.026 183 K HA -0.182 4.133 4.320 -0.009 0.000 0.208 183 K C 1.898 178.441 176.600 -0.096 0.000 1.048 183 K CA 1.371 57.619 56.287 -0.065 0.000 0.929 183 K CB -0.002 32.475 32.500 -0.038 0.000 0.713 183 K HN -0.110 nan 8.250 nan 0.000 0.439 184 E N 0.531 120.688 120.200 -0.071 0.000 2.110 184 E HA -0.125 4.219 4.350 -0.009 0.000 0.193 184 E C 1.855 178.326 176.600 -0.215 0.000 0.988 184 E CA 1.421 57.764 56.400 -0.096 0.000 0.804 184 E CB -0.207 29.510 29.700 0.029 0.000 0.745 184 E HN 0.502 nan 8.360 nan 0.000 0.458 185 A N 0.845 123.559 122.820 -0.177 0.000 1.898 185 A HA -0.033 4.281 4.320 -0.009 0.000 0.216 185 A C 2.359 179.822 177.584 -0.202 0.000 1.181 185 A CA 1.619 53.527 52.037 -0.215 0.000 0.620 185 A CB -0.778 18.145 19.000 -0.127 0.000 0.819 185 A HN 0.288 nan 8.150 nan 0.000 0.442 186 A N -0.643 122.084 122.820 -0.154 0.000 1.933 186 A HA -0.224 4.091 4.320 -0.009 0.000 0.218 186 A C 2.120 179.606 177.584 -0.163 0.000 1.175 186 A CA 1.720 53.674 52.037 -0.139 0.000 0.628 186 A CB -0.526 18.408 19.000 -0.109 0.000 0.814 186 A HN 0.667 nan 8.150 nan 0.000 0.444 187 Q N -0.560 119.111 119.800 -0.215 0.000 2.046 187 Q HA -0.050 4.285 4.340 -0.009 0.000 0.200 187 Q C 2.103 178.051 176.000 -0.086 0.000 0.975 187 Q CA 1.353 56.999 55.803 -0.261 0.000 0.836 187 Q CB -0.290 28.185 28.738 -0.439 0.000 0.896 187 Q HN 0.679 nan 8.270 nan 0.000 0.428 188 L N 0.478 121.568 121.223 -0.222 0.000 2.046 188 L HA -0.251 4.084 4.340 -0.009 0.000 0.208 188 L C 2.679 179.331 176.870 -0.364 0.000 1.077 188 L CA 1.338 55.976 54.840 -0.337 0.000 0.747 188 L CB -0.459 41.260 42.059 -0.567 0.000 0.896 188 L HN 0.340 nan 8.230 nan 0.000 0.432 189 Q N 0.235 119.860 119.800 -0.291 0.000 2.112 189 Q HA -0.302 4.033 4.340 -0.009 0.000 0.206 189 Q C 2.161 178.055 176.000 -0.175 0.000 0.987 189 Q CA 2.128 57.784 55.803 -0.244 0.000 0.858 189 Q CB -0.045 28.586 28.738 -0.179 0.000 0.905 189 Q HN 0.466 nan 8.270 nan 0.000 0.420 190 E N -0.122 120.020 120.200 -0.095 0.000 2.077 190 E HA -0.187 4.157 4.350 -0.009 0.000 0.193 190 E C 2.080 178.659 176.600 -0.035 0.000 0.989 190 E CA 0.944 57.329 56.400 -0.026 0.000 0.800 190 E CB -0.082 29.663 29.700 0.075 0.000 0.746 190 E HN 0.441 nan 8.360 nan 0.000 0.452 191 L N 0.329 121.538 121.223 -0.023 0.000 2.083 191 L HA -0.186 4.149 4.340 -0.009 0.000 0.209 191 L C 2.521 179.351 176.870 -0.067 0.000 1.083 191 L CA 0.767 55.606 54.840 -0.001 0.000 0.752 191 L CB -0.360 41.785 42.059 0.143 0.000 0.899 191 L HN 0.129 nan 8.230 nan 0.000 0.433 192 V N -0.034 119.708 119.914 -0.287 0.000 2.307 192 V HA -0.250 3.865 4.120 -0.009 0.000 0.245 192 V C 2.757 178.773 176.094 -0.131 0.000 1.045 192 V CA 1.696 63.813 62.300 -0.305 0.000 1.024 192 V CB -0.748 30.791 31.823 -0.473 0.000 0.651 192 V HN 0.465 nan 8.190 nan 0.000 0.449 193 A N -0.135 122.610 122.820 -0.124 0.000 1.883 193 A HA -0.193 4.121 4.320 -0.009 0.000 0.217 193 A C 2.393 179.933 177.584 -0.074 0.000 1.186 193 A CA 2.311 54.297 52.037 -0.084 0.000 0.624 193 A CB -0.803 18.155 19.000 -0.071 0.000 0.822 193 A HN 0.330 nan 8.150 nan 0.000 0.444 194 V N -0.201 119.675 119.914 -0.064 0.000 2.407 194 V HA -0.232 3.883 4.120 -0.009 0.000 0.248 194 V C 3.050 179.106 176.094 -0.063 0.000 1.055 194 V CA 1.841 64.100 62.300 -0.068 0.000 1.049 194 V CB -1.245 30.537 31.823 -0.069 0.000 0.662 194 V HN 0.642 nan 8.190 nan 0.000 0.455 195 A N 0.561 123.381 122.820 -0.000 0.000 1.883 195 A HA -0.273 4.042 4.320 -0.009 0.000 0.217 195 A C 2.083 179.655 177.584 -0.021 0.000 1.186 195 A CA 2.225 54.299 52.037 0.061 0.000 0.624 195 A CB -0.748 18.390 19.000 0.229 0.000 0.822 195 A HN 0.589 nan 8.150 nan 0.000 0.444 196 N N -0.005 118.663 118.700 -0.053 0.000 2.104 196 N HA -0.170 4.565 4.740 -0.009 0.000 0.190 196 N C 1.593 176.880 175.510 -0.371 0.000 1.024 196 N CA 1.643 54.629 53.050 -0.108 0.000 0.853 196 N CB -0.533 37.926 38.487 -0.047 0.000 1.008 196 N HN 0.676 nan 8.380 nan 0.000 0.424 197 E N 0.180 120.123 120.200 -0.428 0.000 2.209 197 E HA -0.053 4.292 4.350 -0.009 0.000 0.196 197 E C 0.431 176.633 176.600 -0.663 0.000 0.993 197 E CA 0.652 56.632 56.400 -0.700 0.000 0.819 197 E CB 0.018 29.548 29.700 -0.283 0.000 0.745 197 E HN 0.381 nan 8.360 nan 0.000 0.477 198 N N 0.431 118.892 118.700 -0.399 0.000 2.234 198 N HA -0.009 4.726 4.740 -0.009 0.000 0.227 198 N C -0.692 174.625 175.510 -0.322 0.000 1.151 198 N CA 0.161 53.056 53.050 -0.258 0.000 0.865 198 N CB 1.017 39.501 38.487 -0.005 0.000 1.066 198 N HN -0.006 nan 8.380 nan 0.000 0.515 199 E N 0.027 119.967 120.200 -0.433 0.000 2.513 199 E HA -0.140 4.205 4.350 -0.009 0.000 0.257 199 E C -0.753 175.869 176.600 0.037 0.000 1.098 199 E CA 0.403 56.653 56.400 -0.250 0.000 0.752 199 E CB -1.767 27.656 29.700 -0.463 0.000 1.324 199 E HN 0.078 nan 8.360 nan 0.000 0.403 200 V N 1.130 121.095 119.914 0.085 0.000 2.398 200 V HA 0.197 4.311 4.120 -0.009 0.000 0.286 200 V C 0.404 176.624 176.094 0.211 0.000 1.026 200 V CA -0.729 61.699 62.300 0.213 0.000 0.868 200 V CB 1.867 33.865 31.823 0.291 0.000 0.982 200 V HN -0.039 nan 8.190 nan 0.000 0.443 201 D N 3.789 124.326 120.400 0.229 0.000 2.346 201 D HA 0.143 4.778 4.640 -0.009 0.000 0.260 201 D C -0.315 176.129 176.300 0.240 0.000 1.252 201 D CA 0.230 54.354 54.000 0.206 0.000 0.895 201 D CB 0.525 41.435 40.800 0.183 0.000 1.097 201 D HN 0.432 nan 8.370 nan 0.000 0.489 202 F N 3.453 123.467 119.950 0.107 0.000 2.466 202 F HA 0.182 4.704 4.527 -0.009 0.000 0.363 202 F C -0.259 175.524 175.800 -0.030 0.000 1.109 202 F CA -0.482 57.592 58.000 0.123 0.000 1.161 202 F CB 0.481 39.545 39.000 0.107 0.000 1.117 202 F HN 0.003 nan 8.300 nan 0.000 0.539 203 V N 7.340 127.150 119.914 -0.173 0.000 2.311 203 V HA 0.041 4.156 4.120 -0.009 0.000 0.275 203 V C -0.662 175.297 176.094 -0.224 0.000 1.022 203 V CA -0.817 61.377 62.300 -0.177 0.000 0.830 203 V CB 0.542 32.247 31.823 -0.196 0.000 1.012 203 V HN 0.778 nan 8.190 nan 0.000 0.452 204 W N 5.472 126.639 121.300 -0.221 0.000 2.335 204 W HA 0.633 5.288 4.660 -0.008 0.000 0.306 204 W C 0.287 176.751 176.519 -0.091 0.000 1.216 204 W CA -0.174 57.143 57.345 -0.047 0.000 1.237 204 W CB 0.841 30.347 29.460 0.076 0.000 1.243 204 W HN 0.665 nan 8.180 nan 0.000 0.493 205 A N 7.154 129.488 122.820 -0.810 0.000 2.294 205 A HA 0.783 5.098 4.320 -0.009 0.000 0.330 205 A C -1.455 175.473 177.584 -1.094 0.000 1.133 205 A CA -0.804 50.696 52.037 -0.895 0.000 0.836 205 A CB 1.111 19.335 19.000 -1.293 0.000 1.190 205 A HN 0.760 nan 8.150 nan 0.000 0.492 206 I N 0.102 120.214 120.570 -0.763 0.000 2.828 206 I HA 0.412 4.577 4.170 -0.009 0.000 0.302 206 I C -0.947 174.727 176.117 -0.738 0.000 1.101 206 I CA -0.505 60.375 61.300 -0.700 0.000 1.031 206 I CB 1.981 39.859 38.000 -0.204 0.000 1.231 206 I HN 0.829 nan 8.210 nan 0.000 0.427 207 H N 7.627 126.118 119.070 -0.965 0.000 2.488 207 H HA 0.389 4.940 4.556 -0.009 0.000 0.237 207 H C -2.513 172.364 175.328 -0.751 0.000 1.395 207 H CA -1.532 54.057 56.048 -0.766 0.000 1.491 207 H CB 1.475 30.796 29.762 -0.736 0.000 1.567 207 H HN 0.379 nan 8.280 nan 0.000 0.508 208 P HA 0.145 nan 4.420 nan 0.000 0.267 208 P C 1.387 178.206 177.300 -0.802 0.000 1.289 208 P CA 0.436 62.543 63.100 -1.656 0.000 0.866 208 P CB 0.477 30.881 31.700 -2.160 0.000 1.309 209 G N 0.903 109.335 108.800 -0.614 0.000 2.448 209 G HA2 -0.235 3.719 3.960 -0.009 0.000 0.218 209 G HA3 -0.235 3.719 3.960 -0.009 0.000 0.218 209 G C 1.629 176.449 174.900 -0.134 0.000 1.135 209 G CA 0.412 45.379 45.100 -0.221 0.000 0.784 209 G HN 0.227 nan 8.290 nan 0.000 0.543 210 Q N 1.230 120.947 119.800 -0.138 0.000 2.226 210 Q HA -0.073 4.262 4.340 -0.009 0.000 0.204 210 Q C 1.247 177.246 176.000 -0.001 0.000 0.975 210 Q CA 1.821 57.609 55.803 -0.025 0.000 0.866 210 Q CB 0.033 28.786 28.738 0.025 0.000 0.915 210 Q HN 0.622 nan 8.270 nan 0.000 0.440 211 D N -2.289 118.123 120.400 0.020 0.000 2.563 211 D HA 0.036 4.670 4.640 -0.009 0.000 0.256 211 D C 0.112 176.430 176.300 0.030 0.000 1.400 211 D CA -0.401 53.620 54.000 0.035 0.000 0.800 211 D CB -0.878 39.967 40.800 0.075 0.000 1.145 211 D HN 0.311 nan 8.370 nan 0.000 0.501 212 I N 1.318 121.859 120.570 -0.049 0.000 2.752 212 I HA 0.013 4.178 4.170 -0.009 0.000 0.287 212 I C -0.158 175.747 176.117 -0.352 0.000 1.188 212 I CA 0.117 61.329 61.300 -0.146 0.000 1.427 212 I CB 0.444 38.160 38.000 -0.473 0.000 1.365 212 I HN -0.218 nan 8.210 nan 0.000 0.585 213 K N 6.439 126.684 120.400 -0.259 0.000 2.138 213 K HA 0.169 4.484 4.320 -0.009 0.000 0.263 213 K C -1.239 175.179 176.600 -0.303 0.000 0.965 213 K CA -0.309 55.818 56.287 -0.266 0.000 0.868 213 K CB 0.911 33.356 32.500 -0.092 0.000 1.083 213 K HN 0.584 nan 8.250 nan 0.000 0.443 214 W N 3.801 125.106 121.300 0.009 0.000 1.438 214 W HA 0.034 4.690 4.660 -0.006 0.000 0.455 214 W C 0.499 177.001 176.519 -0.029 0.000 0.656 214 W CA -0.510 56.824 57.345 -0.018 0.000 2.049 214 W CB -0.338 29.103 29.460 -0.031 0.000 1.683 214 W HN 0.573 nan 8.180 nan 0.000 0.228 215 N N -1.006 117.764 118.700 0.117 0.000 2.761 215 N HA 0.291 5.026 4.740 -0.009 0.000 0.283 215 N C 0.666 176.184 175.510 0.012 0.000 1.377 215 N CA -1.043 52.040 53.050 0.055 0.000 0.791 215 N CB 0.910 39.414 38.487 0.028 0.000 1.540 215 N HN -0.027 nan 8.380 nan 0.000 0.539 216 K N -0.114 120.279 120.400 -0.012 0.000 2.026 216 K HA -0.181 4.134 4.320 -0.009 0.000 0.208 216 K C 1.403 177.988 176.600 -0.026 0.000 1.048 216 K CA 1.571 57.837 56.287 -0.036 0.000 0.929 216 K CB -0.169 32.318 32.500 -0.023 0.000 0.713 216 K HN 0.724 nan 8.250 nan 0.000 0.439 217 E N 0.435 120.625 120.200 -0.017 0.000 2.070 217 E HA -0.256 4.089 4.350 -0.009 0.000 0.197 217 E C 1.390 177.981 176.600 -0.015 0.000 1.004 217 E CA 2.065 58.453 56.400 -0.022 0.000 0.805 217 E CB -0.008 29.674 29.700 -0.029 0.000 0.744 217 E HN 0.275 nan 8.360 nan 0.000 0.451 218 D N -0.406 119.997 120.400 0.004 0.000 2.162 218 D HA -0.099 4.536 4.640 -0.009 0.000 0.203 218 D C 1.939 178.293 176.300 0.089 0.000 0.967 218 D CA 0.545 54.590 54.000 0.075 0.000 0.840 218 D CB -0.248 40.614 40.800 0.104 0.000 0.972 218 D HN 0.136 nan 8.370 nan 0.000 0.482 219 R N 0.828 121.335 120.500 0.011 0.000 2.097 219 R HA -0.171 4.164 4.340 -0.009 0.000 0.236 219 R C 1.257 177.538 176.300 -0.032 0.000 1.135 219 R CA 1.834 57.904 56.100 -0.049 0.000 0.934 219 R CB -0.107 30.091 30.300 -0.170 0.000 0.846 219 R HN 0.062 nan 8.270 nan 0.000 0.431 220 D N 0.546 120.934 120.400 -0.020 0.000 2.117 220 D HA -0.160 4.475 4.640 -0.009 0.000 0.197 220 D C 2.040 178.343 176.300 0.005 0.000 0.987 220 D CA 1.043 55.046 54.000 0.005 0.000 0.829 220 D CB -0.227 40.577 40.800 0.006 0.000 0.961 220 D HN 0.285 nan 8.370 nan 0.000 0.460 221 L N 0.273 121.504 121.223 0.014 0.000 2.093 221 L HA -0.102 4.233 4.340 -0.009 0.000 0.208 221 L C 2.501 179.417 176.870 0.075 0.000 1.085 221 L CA 0.429 55.277 54.840 0.013 0.000 0.755 221 L CB -0.196 41.829 42.059 -0.057 0.000 0.904 221 L HN 0.056 nan 8.230 nan 0.000 0.435 222 L N -0.837 120.463 121.223 0.128 0.000 2.046 222 L HA -0.234 4.101 4.340 -0.009 0.000 0.208 222 L C 2.394 179.116 176.870 -0.247 0.000 1.077 222 L CA 1.076 55.923 54.840 0.013 0.000 0.747 222 L CB -0.063 41.917 42.059 -0.132 0.000 0.896 222 L HN 0.195 nan 8.230 nan 0.000 0.432 223 L N -0.330 120.778 121.223 -0.192 0.000 2.093 223 L HA -0.138 4.197 4.340 -0.009 0.000 0.208 223 L C 2.851 179.632 176.870 -0.149 0.000 1.085 223 L CA 1.839 56.534 54.840 -0.241 0.000 0.755 223 L CB -1.752 40.260 42.059 -0.077 0.000 0.904 223 L HN 0.362 nan 8.230 nan 0.000 0.435 224 A N -0.036 122.756 122.820 -0.046 0.000 1.933 224 A HA -0.258 4.056 4.320 -0.009 0.000 0.218 224 A C 2.354 179.959 177.584 0.036 0.000 1.175 224 A CA 1.984 54.022 52.037 0.002 0.000 0.628 224 A CB -0.360 18.645 19.000 0.009 0.000 0.814 224 A HN 0.285 nan 8.150 nan 0.000 0.444 225 K N -0.831 119.606 120.400 0.062 0.000 2.025 225 K HA -0.066 4.249 4.320 -0.009 0.000 0.207 225 K C 1.516 178.254 176.600 0.230 0.000 1.049 225 K CA 1.405 57.775 56.287 0.138 0.000 0.933 225 K CB -0.612 32.036 32.500 0.246 0.000 0.714 225 K HN 0.289 nan 8.250 nan 0.000 0.438 226 F N 1.536 121.450 119.950 -0.061 0.000 2.134 226 F HA -0.073 4.449 4.527 -0.009 0.000 0.299 226 F C 2.298 178.063 175.800 -0.057 0.000 1.097 226 F CA 1.494 59.400 58.000 -0.158 0.000 1.264 226 F CB -1.063 37.431 39.000 -0.844 0.000 1.001 226 F HN 0.254 nan 8.300 nan 0.000 0.479 227 E N 0.626 120.880 120.200 0.090 0.000 2.085 227 E HA -0.187 4.158 4.350 -0.009 0.000 0.194 227 E C 2.119 178.878 176.600 0.265 0.000 0.994 227 E CA 1.432 57.981 56.400 0.247 0.000 0.801 227 E CB -0.109 29.676 29.700 0.143 0.000 0.743 227 E HN -0.040 nan 8.360 nan 0.000 0.453 228 K N -0.233 120.261 120.400 0.157 0.000 2.032 228 K HA -0.111 4.204 4.320 -0.009 0.000 0.209 228 K C 1.996 178.644 176.600 0.080 0.000 1.048 228 K CA 1.418 57.762 56.287 0.095 0.000 0.927 228 K CB -0.363 32.160 32.500 0.038 0.000 0.712 228 K HN 0.300 nan 8.250 nan 0.000 0.441 229 M N -0.478 119.172 119.600 0.082 0.000 2.086 229 M HA -0.167 4.308 4.480 -0.009 0.000 0.261 229 M C 2.206 178.598 176.300 0.153 0.000 1.067 229 M CA 1.345 56.638 55.300 -0.011 0.000 1.116 229 M CB -1.356 31.182 32.600 -0.104 0.000 1.348 229 M HN 0.109 nan 8.290 nan 0.000 0.407 230 Y N 1.577 122.071 120.300 0.323 0.000 2.151 230 Y HA -0.306 4.239 4.550 -0.009 0.000 0.284 230 Y C 2.444 178.419 175.900 0.125 0.000 1.166 230 Y CA 2.097 60.397 58.100 0.333 0.000 1.163 230 Y CB -0.285 38.440 38.460 0.441 0.000 0.974 230 Y HN 0.359 nan 8.280 nan 0.000 0.511 231 Q N -0.232 119.721 119.800 0.256 0.000 2.226 231 Q HA -0.169 4.166 4.340 -0.009 0.000 0.204 231 Q C 2.021 178.000 176.000 -0.035 0.000 0.975 231 Q CA 1.557 57.424 55.803 0.106 0.000 0.866 231 Q CB -0.189 28.614 28.738 0.108 0.000 0.915 231 Q HN 0.539 nan 8.270 nan 0.000 0.440 232 L N -1.199 119.975 121.223 -0.082 0.000 2.552 232 L HA 0.046 4.381 4.340 -0.009 0.000 0.227 232 L C 1.232 177.964 176.870 -0.230 0.000 1.146 232 L CA 0.682 55.419 54.840 -0.171 0.000 0.858 232 L CB -0.083 41.832 42.059 -0.240 0.000 0.969 232 L HN 0.481 nan 8.230 nan 0.000 0.451 233 G N -0.640 108.011 108.800 -0.249 0.000 2.192 233 G HA2 -0.216 3.739 3.960 -0.009 0.000 0.193 233 G HA3 -0.216 3.739 3.960 -0.009 0.000 0.193 233 G C 0.202 174.915 174.900 -0.312 0.000 0.999 233 G CA -0.217 44.708 45.100 -0.292 0.000 0.659 233 G HN 0.034 nan 8.290 nan 0.000 0.503 234 V N 1.855 121.595 119.914 -0.291 0.000 2.572 234 V HA 0.420 4.535 4.120 -0.009 0.000 0.291 234 V C 1.294 177.265 176.094 -0.206 0.000 1.039 234 V CA 0.234 62.364 62.300 -0.285 0.000 1.055 234 V CB 1.341 32.960 31.823 -0.340 0.000 0.969 234 V HN 0.318 nan 8.190 nan 0.000 0.482 235 R N 2.031 122.428 120.500 -0.172 0.000 2.549 235 R HA 0.340 4.675 4.340 -0.009 0.000 0.344 235 R C -0.167 176.168 176.300 0.059 0.000 0.979 235 R CA -0.021 56.099 56.100 0.033 0.000 1.140 235 R CB 1.089 31.398 30.300 0.015 0.000 1.377 235 R HN 0.626 nan 8.270 nan 0.000 0.541 236 S N 0.149 115.715 115.700 -0.223 0.000 2.549 236 S HA 0.732 5.197 4.470 -0.009 0.000 0.280 236 S C -1.156 173.129 174.600 -0.525 0.000 1.109 236 S CA -0.434 57.690 58.200 -0.125 0.000 0.905 236 S CB 1.866 65.036 63.200 -0.049 0.000 1.081 236 S HN 0.037 nan 8.310 nan 0.000 0.477 237 F N 0.701 120.637 119.950 -0.023 0.000 2.588 237 F HA 0.810 5.332 4.527 -0.009 0.000 0.310 237 F C 0.092 175.844 175.800 -0.079 0.000 1.082 237 F CA -0.742 57.163 58.000 -0.157 0.000 0.929 237 F CB 1.922 40.618 39.000 -0.506 0.000 1.254 237 F HN 0.708 nan 8.300 nan 0.000 0.455 238 A N 1.127 123.976 122.820 0.050 0.000 2.498 238 A HA 0.905 5.220 4.320 -0.009 0.000 0.298 238 A C -1.950 175.614 177.584 -0.034 0.000 1.075 238 A CA -0.792 51.241 52.037 -0.006 0.000 0.714 238 A CB 1.813 20.717 19.000 -0.159 0.000 1.299 238 A HN 0.531 nan 8.150 nan 0.000 0.407 239 V N 2.041 121.962 119.914 0.011 0.000 2.443 239 V HA 0.509 4.624 4.120 -0.009 0.000 0.293 239 V C -1.433 174.615 176.094 -0.077 0.000 1.021 239 V CA -0.428 61.768 62.300 -0.174 0.000 0.848 239 V CB 1.145 32.897 31.823 -0.119 0.000 0.998 239 V HN 0.676 nan 8.190 nan 0.000 0.424 240 F N 4.420 124.145 119.950 -0.375 0.000 2.420 240 F HA 0.608 5.130 4.527 -0.009 0.000 0.342 240 F C 0.200 175.735 175.800 -0.441 0.000 1.113 240 F CA -1.652 56.223 58.000 -0.208 0.000 1.059 240 F CB 1.386 40.406 39.000 0.033 0.000 1.128 240 F HN 0.395 nan 8.300 nan 0.000 0.475 241 F N 1.025 121.093 119.950 0.197 0.000 2.791 241 F HA 0.162 4.684 4.527 -0.007 0.000 0.308 241 F C 0.298 176.165 175.800 0.110 0.000 1.138 241 F CA -0.896 57.155 58.000 0.086 0.000 1.294 241 F CB -0.058 39.034 39.000 0.153 0.000 0.975 241 F HN 0.250 nan 8.300 nan 0.000 0.512 242 D N -1.216 119.321 120.400 0.227 0.000 2.225 242 D HA 0.179 4.814 4.640 -0.009 0.000 0.249 242 D C -0.022 176.457 176.300 0.299 0.000 1.052 242 D CA -0.264 53.839 54.000 0.172 0.000 0.909 242 D CB 1.351 41.936 40.800 -0.359 0.000 1.186 242 D HN 0.003 nan 8.370 nan 0.000 0.431 243 D N -0.279 120.351 120.400 0.384 0.000 2.809 243 D HA -0.131 4.504 4.640 -0.009 0.000 0.234 243 D C -0.177 176.280 176.300 0.262 0.000 1.111 243 D CA 0.629 54.852 54.000 0.372 0.000 0.726 243 D CB -1.683 39.337 40.800 0.367 0.000 1.089 243 D HN 0.689 nan 8.370 nan 0.000 0.436 244 I N -3.472 117.212 120.570 0.189 0.000 2.969 244 I HA 0.766 4.931 4.170 -0.009 0.000 0.307 244 I C -0.105 176.052 176.117 0.067 0.000 1.149 244 I CA -0.807 60.562 61.300 0.115 0.000 1.008 244 I CB 2.575 40.624 38.000 0.082 0.000 1.232 244 I HN -0.064 nan 8.210 nan 0.000 0.435 245 S N 1.880 117.606 115.700 0.043 0.000 2.634 245 S HA 1.026 5.490 4.470 -0.009 0.000 0.296 245 S C 0.049 174.669 174.600 0.033 0.000 1.104 245 S CA -0.294 57.918 58.200 0.020 0.000 0.920 245 S CB 1.307 64.507 63.200 -0.001 0.000 1.111 245 S HN 2.147 nan 8.310 nan 0.000 0.493 246 G N 0.947 109.767 108.800 0.034 0.000 2.582 246 G HA2 -0.114 3.841 3.960 -0.009 0.000 0.222 246 G HA3 -0.114 3.841 3.960 -0.009 0.000 0.222 246 G C 0.173 175.127 174.900 0.089 0.000 1.311 246 G CA 0.046 45.173 45.100 0.045 0.000 0.915 246 G HN 0.618 nan 8.290 nan 0.000 0.528 247 E N 0.284 120.550 120.200 0.110 0.000 2.171 247 E HA -0.147 4.198 4.350 -0.009 0.000 0.197 247 E C 2.669 179.520 176.600 0.419 0.000 0.997 247 E CA 1.923 58.465 56.400 0.237 0.000 0.810 247 E CB -0.894 28.946 29.700 0.234 0.000 0.738 247 E HN 1.032 nan 8.360 nan 0.000 0.467 248 G N 0.861 109.782 108.800 0.202 0.000 2.501 248 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.220 248 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.220 248 G C 1.536 176.625 174.900 0.314 0.000 1.114 248 G CA 1.537 46.779 45.100 0.237 0.000 0.757 248 G HN 0.417 nan 8.290 nan 0.000 0.559 249 T N -2.077 112.613 114.554 0.226 0.000 3.107 249 T HA 0.125 4.470 4.350 -0.009 0.000 0.249 249 T C 0.884 175.693 174.700 0.181 0.000 1.096 249 T CA -0.397 61.805 62.100 0.170 0.000 1.012 249 T CB -0.037 68.892 68.868 0.102 0.000 0.977 249 T HN 0.148 nan 8.240 nan 0.000 0.527 250 N N 3.276 122.054 118.700 0.130 0.000 2.405 250 N HA 0.107 4.842 4.740 -0.009 0.000 0.260 250 N C -1.432 173.955 175.510 -0.205 0.000 1.152 250 N CA -1.870 51.162 53.050 -0.031 0.000 0.948 250 N CB 1.741 40.150 38.487 -0.130 0.000 1.111 250 N HN 0.095 nan 8.380 nan 0.000 0.485 251 P HA -0.180 nan 4.420 nan 0.000 0.216 251 P C 1.099 178.158 177.300 -0.401 0.000 1.153 251 P CA 1.201 64.040 63.100 -0.435 0.000 0.848 251 P CB 0.437 31.750 31.700 -0.644 0.000 0.787 252 Q N 0.535 120.132 119.800 -0.339 0.000 2.096 252 Q HA -0.170 4.165 4.340 -0.009 0.000 0.204 252 Q C 2.249 178.001 176.000 -0.414 0.000 0.982 252 Q CA 1.964 57.579 55.803 -0.313 0.000 0.850 252 Q CB -0.524 28.062 28.738 -0.253 0.000 0.901 252 Q HN 0.064 nan 8.270 nan 0.000 0.422 253 K N -0.155 119.857 120.400 -0.648 0.000 2.103 253 K HA -0.093 4.222 4.320 -0.009 0.000 0.204 253 K C 2.168 178.208 176.600 -0.933 0.000 1.052 253 K CA 1.233 56.890 56.287 -1.050 0.000 0.945 253 K CB -0.091 31.179 32.500 -2.051 0.000 0.722 253 K HN 0.429 nan 8.250 nan 0.000 0.443 254 Q N 0.380 119.728 119.800 -0.754 0.000 2.030 254 Q HA -0.159 4.176 4.340 -0.009 0.000 0.204 254 Q C 2.188 178.077 176.000 -0.185 0.000 0.986 254 Q CA 1.912 57.425 55.803 -0.482 0.000 0.843 254 Q CB -0.276 28.076 28.738 -0.642 0.000 0.904 254 Q HN 0.326 nan 8.270 nan 0.000 0.420 255 A N 1.176 123.872 122.820 -0.207 0.000 1.877 255 A HA -0.255 4.060 4.320 -0.009 0.000 0.216 255 A C 1.864 179.418 177.584 -0.050 0.000 1.186 255 A CA 1.685 53.664 52.037 -0.097 0.000 0.620 255 A CB -0.571 18.351 19.000 -0.131 0.000 0.822 255 A HN 0.366 nan 8.150 nan 0.000 0.443 256 E N -0.819 119.313 120.200 -0.113 0.000 2.070 256 E HA -0.238 4.107 4.350 -0.009 0.000 0.197 256 E C 1.960 178.587 176.600 0.045 0.000 1.004 256 E CA 1.397 57.765 56.400 -0.054 0.000 0.805 256 E CB -0.311 29.312 29.700 -0.129 0.000 0.744 256 E HN 0.510 nan 8.360 nan 0.000 0.451 257 L N 0.913 122.165 121.223 0.048 0.000 2.017 257 L HA -0.181 4.154 4.340 -0.009 0.000 0.208 257 L C 2.081 179.087 176.870 0.227 0.000 1.073 257 L CA 1.499 56.445 54.840 0.176 0.000 0.745 257 L CB -0.378 41.868 42.059 0.311 0.000 0.894 257 L HN 0.145 nan 8.230 nan 0.000 0.432 258 L N -0.138 121.208 121.223 0.204 0.000 2.046 258 L HA -0.200 4.135 4.340 -0.009 0.000 0.208 258 L C 2.325 179.305 176.870 0.184 0.000 1.077 258 L CA 1.542 56.511 54.840 0.214 0.000 0.747 258 L CB -1.652 40.532 42.059 0.208 0.000 0.896 258 L HN 0.421 nan 8.230 nan 0.000 0.432 259 N N -0.961 117.826 118.700 0.146 0.000 2.244 259 N HA -0.223 4.511 4.740 -0.009 0.000 0.183 259 N C 1.762 177.355 175.510 0.138 0.000 1.016 259 N CA 0.920 54.040 53.050 0.118 0.000 0.866 259 N CB -0.381 38.154 38.487 0.081 0.000 0.980 259 N HN 0.368 nan 8.380 nan 0.000 0.430 260 Y N 1.232 121.568 120.300 0.060 0.000 2.163 260 Y HA -0.011 4.534 4.550 -0.009 0.000 0.288 260 Y C 2.106 178.055 175.900 0.083 0.000 1.136 260 Y CA 1.223 59.358 58.100 0.058 0.000 1.147 260 Y CB -0.253 38.235 38.460 0.047 0.000 0.987 260 Y HN -0.065 nan 8.280 nan 0.000 0.509 261 I N 0.269 120.987 120.570 0.248 0.000 2.163 261 I HA -0.327 3.838 4.170 -0.009 0.000 0.243 261 I C 2.207 178.432 176.117 0.180 0.000 1.085 261 I CA 1.890 63.312 61.300 0.204 0.000 1.347 261 I CB -0.502 37.656 38.000 0.263 0.000 1.044 261 I HN 0.263 nan 8.210 nan 0.000 0.408 262 D N 0.900 121.391 120.400 0.153 0.000 2.092 262 D HA -0.225 4.410 4.640 -0.009 0.000 0.193 262 D C 2.082 178.409 176.300 0.044 0.000 0.994 262 D CA 1.723 55.794 54.000 0.117 0.000 0.828 262 D CB 0.040 40.902 40.800 0.103 0.000 0.963 262 D HN 0.368 nan 8.370 nan 0.000 0.450 263 E N -1.005 119.185 120.200 -0.017 0.000 2.170 263 E HA -0.045 4.300 4.350 -0.009 0.000 0.191 263 E C 1.697 178.222 176.600 -0.125 0.000 0.981 263 E CA 0.596 56.956 56.400 -0.067 0.000 0.830 263 E CB 0.198 29.857 29.700 -0.068 0.000 0.775 263 E HN 0.009 nan 8.360 nan 0.000 0.470 264 K N -0.903 119.362 120.400 -0.226 0.000 2.393 264 K HA 0.121 4.436 4.320 -0.009 0.000 0.193 264 K C 0.558 177.148 176.600 -0.017 0.000 1.026 264 K CA 0.273 56.427 56.287 -0.221 0.000 1.064 264 K CB 0.327 32.509 32.500 -0.530 0.000 0.833 264 K HN 0.066 nan 8.250 nan 0.000 0.521 265 F N -1.451 118.411 119.950 -0.147 0.000 1.901 265 F HA 0.294 4.815 4.527 -0.009 0.000 0.239 265 F C 1.596 177.340 175.800 -0.093 0.000 1.133 265 F CA 0.438 58.363 58.000 -0.125 0.000 1.271 265 F CB -0.423 38.522 39.000 -0.092 0.000 1.652 265 F HN -0.164 nan 8.300 nan 0.000 0.543 266 A N 0.249 123.090 122.820 0.036 0.000 1.940 266 A HA -0.153 4.162 4.320 -0.009 0.000 0.219 266 A C 1.697 179.245 177.584 -0.059 0.000 1.176 266 A CA 1.874 53.891 52.037 -0.034 0.000 0.631 266 A CB -0.588 18.493 19.000 0.134 0.000 0.814 266 A HN 0.576 nan 8.150 nan 0.000 0.446 267 Q N -0.941 118.836 119.800 -0.038 0.000 2.319 267 Q HA 0.170 4.505 4.340 -0.009 0.000 0.202 267 Q C 1.787 177.747 176.000 -0.066 0.000 0.896 267 Q CA 0.543 56.326 55.803 -0.034 0.000 0.942 267 Q CB 0.212 28.944 28.738 -0.010 0.000 1.083 267 Q HN 0.503 nan 8.270 nan 0.000 0.510 268 V N 0.315 120.161 119.914 -0.114 0.000 2.672 268 V HA -0.007 4.108 4.120 -0.009 0.000 0.242 268 V C 0.784 176.780 176.094 -0.164 0.000 1.059 268 V CA 0.635 62.863 62.300 -0.121 0.000 1.081 268 V CB 0.067 31.824 31.823 -0.110 0.000 0.752 268 V HN 0.113 nan 8.190 nan 0.000 0.472 269 K N 1.821 122.050 120.400 -0.284 0.000 2.414 269 K HA 0.091 4.406 4.320 -0.009 0.000 0.272 269 K C -1.420 175.120 176.600 -0.100 0.000 0.993 269 K CA -1.419 54.702 56.287 -0.276 0.000 0.964 269 K CB 0.100 32.306 32.500 -0.491 0.000 0.925 269 K HN 0.129 nan 8.250 nan 0.000 0.487 270 P HA -0.096 nan 4.420 nan 0.000 0.229 270 P C -0.086 177.237 177.300 0.039 0.000 1.160 270 P CA 1.170 64.278 63.100 0.013 0.000 0.777 270 P CB 0.342 32.060 31.700 0.032 0.000 0.814 271 D N -1.587 118.857 120.400 0.073 0.000 2.785 271 D HA 0.134 4.769 4.640 -0.009 0.000 0.324 271 D C 0.026 176.399 176.300 0.122 0.000 1.523 271 D CA -0.487 53.567 54.000 0.090 0.000 0.789 271 D CB -0.912 39.938 40.800 0.084 0.000 1.171 271 D HN 0.136 nan 8.370 nan 0.000 0.447 272 I N 0.880 121.519 120.570 0.114 0.000 2.474 272 I HA 0.204 4.369 4.170 -0.009 0.000 0.287 272 I C 0.816 177.017 176.117 0.141 0.000 1.048 272 I CA -0.237 61.158 61.300 0.158 0.000 1.383 272 I CB 1.024 39.101 38.000 0.128 0.000 1.412 272 I HN -0.068 nan 8.210 nan 0.000 0.531 273 N N 3.711 122.505 118.700 0.157 0.000 2.476 273 N HA 0.091 4.826 4.740 -0.009 0.000 0.234 273 N C -0.465 175.121 175.510 0.128 0.000 1.035 273 N CA -0.264 52.873 53.050 0.145 0.000 1.194 273 N CB 0.118 38.692 38.487 0.145 0.000 1.542 273 N HN 0.561 nan 8.380 nan 0.000 0.628 274 Q N 0.806 120.650 119.800 0.072 0.000 2.243 274 Q HA 0.463 4.797 4.340 -0.009 0.000 0.252 274 Q C -1.426 174.615 176.000 0.068 0.000 0.909 274 Q CA -0.449 55.343 55.803 -0.018 0.000 0.922 274 Q CB 2.278 30.887 28.738 -0.216 0.000 1.215 274 Q HN 0.187 nan 8.270 nan 0.000 0.427 275 L N 3.016 124.283 121.223 0.073 0.000 2.349 275 L HA 0.542 4.877 4.340 -0.009 0.000 0.278 275 L C -1.522 175.387 176.870 0.065 0.000 0.996 275 L CA -0.624 54.297 54.840 0.134 0.000 0.825 275 L CB 1.966 44.139 42.059 0.189 0.000 1.243 275 L HN 0.439 nan 8.230 nan 0.000 0.412 276 V N 5.592 125.541 119.914 0.059 0.000 2.709 276 V HA 0.682 4.797 4.120 -0.009 0.000 0.308 276 V C -0.318 175.851 176.094 0.125 0.000 1.062 276 V CA -0.570 61.724 62.300 -0.011 0.000 0.901 276 V CB 1.862 33.574 31.823 -0.184 0.000 1.003 276 V HN 0.885 nan 8.190 nan 0.000 0.425 277 M N 3.584 123.281 119.600 0.162 0.000 2.530 277 M HA 0.762 5.237 4.480 -0.009 0.000 0.307 277 M C -1.003 175.471 176.300 0.291 0.000 1.161 277 M CA -0.214 55.254 55.300 0.280 0.000 0.903 277 M CB 1.657 34.447 32.600 0.317 0.000 1.711 277 M HN 0.499 nan 8.290 nan 0.000 0.451 278 C N 5.201 124.714 119.300 0.355 0.000 2.264 278 C HA 0.793 5.247 4.460 -0.009 0.000 0.324 278 C C -2.187 172.980 174.990 0.294 0.000 1.267 278 C CA -1.402 57.713 59.018 0.163 0.000 1.618 278 C CB 0.651 28.220 27.740 -0.285 0.000 2.278 278 C HN 0.764 nan 8.230 nan 0.000 0.499 279 P HA 0.166 nan 4.420 nan 0.000 0.272 279 P C 0.632 178.176 177.300 0.406 0.000 1.230 279 P CA 0.280 63.666 63.100 0.478 0.000 0.788 279 P CB 0.648 32.686 31.700 0.563 0.000 0.949 280 T N -0.264 114.496 114.554 0.343 0.000 2.777 280 T HA -0.096 4.249 4.350 -0.009 0.000 0.266 280 T C 0.526 175.252 174.700 0.043 0.000 1.040 280 T CA 1.402 63.593 62.100 0.152 0.000 1.141 280 T CB -0.312 68.541 68.868 -0.025 0.000 0.868 280 T HN 0.510 nan 8.240 nan 0.000 0.444 281 E N 1.442 121.496 120.200 -0.244 0.000 1.936 281 E HA 0.152 4.497 4.350 -0.009 0.000 0.267 281 E C -0.374 176.343 176.600 0.196 0.000 1.076 281 E CA -0.304 56.042 56.400 -0.091 0.000 0.870 281 E CB 0.310 29.921 29.700 -0.147 0.000 1.093 281 E HN 0.700 nan 8.360 nan 0.000 0.411 282 Y N 1.494 121.779 120.300 -0.024 0.000 2.507 282 Y HA 0.281 4.826 4.550 -0.008 0.000 0.254 282 Y C -0.285 175.020 175.900 -0.991 0.000 1.171 282 Y CA -1.001 56.973 58.100 -0.209 0.000 1.238 282 Y CB -0.056 38.212 38.460 -0.319 0.000 1.148 282 Y HN 0.234 nan 8.280 nan 0.000 0.525 283 N N -1.652 116.265 118.700 -1.305 0.000 2.591 283 N HA 0.183 4.918 4.740 -0.009 0.000 0.263 283 N C -0.035 174.974 175.510 -0.835 0.000 1.308 283 N CA -1.089 51.020 53.050 -1.569 0.000 0.837 283 N CB 1.465 39.279 38.487 -1.122 0.000 1.548 283 N HN -0.040 nan 8.380 nan 0.000 0.493 284 K N -0.015 120.089 120.400 -0.493 0.000 2.057 284 K HA -0.164 4.151 4.320 -0.009 0.000 0.207 284 K C 1.438 177.929 176.600 -0.181 0.000 1.049 284 K CA 2.051 58.219 56.287 -0.198 0.000 0.931 284 K CB -0.260 31.992 32.500 -0.414 0.000 0.714 284 K HN 0.698 nan 8.250 nan 0.000 0.440 285 S N -0.573 115.011 115.700 -0.194 0.000 2.399 285 S HA -0.145 4.320 4.470 -0.009 0.000 0.231 285 S C 1.347 176.022 174.600 0.125 0.000 1.022 285 S CA 0.669 58.841 58.200 -0.047 0.000 0.983 285 S CB -0.448 62.732 63.200 -0.033 0.000 0.803 285 S HN 0.408 nan 8.310 nan 0.000 0.480 286 W N 2.666 123.799 121.300 -0.278 0.000 3.345 286 W HA 0.534 5.187 4.660 -0.010 0.000 0.282 286 W C 0.812 177.225 176.519 -0.177 0.000 1.302 286 W CA -1.200 55.981 57.345 -0.273 0.000 1.724 286 W CB -0.890 28.290 29.460 -0.466 0.000 1.104 286 W HN 0.278 nan 8.180 nan 0.000 0.694 287 S N 1.238 117.010 115.700 0.121 0.000 2.429 287 S HA 0.274 4.739 4.470 -0.009 0.000 0.302 287 S C -0.159 174.530 174.600 0.149 0.000 1.115 287 S CA -0.627 57.682 58.200 0.182 0.000 1.095 287 S CB 0.258 63.702 63.200 0.406 0.000 0.987 287 S HN 0.079 nan 8.310 nan 0.000 0.474 288 N N 4.904 123.669 118.700 0.109 0.000 2.492 288 N HA 0.383 5.118 4.740 -0.009 0.000 0.262 288 N C -1.922 173.670 175.510 0.137 0.000 1.202 288 N CA -0.877 52.224 53.050 0.085 0.000 0.926 288 N CB 0.539 39.057 38.487 0.052 0.000 1.078 288 N HN 0.485 nan 8.380 nan 0.000 0.454 293 Y N 1.102 121.411 120.300 0.014 0.000 2.165 293 Y HA -0.005 4.539 4.550 -0.009 0.000 0.286 293 Y C 1.240 177.147 175.900 0.013 0.000 1.155 293 Y CA 1.711 59.820 58.100 0.014 0.000 1.164 293 Y CB 0.124 38.612 38.460 0.047 0.000 0.978 293 Y HN 0.247 nan 8.280 nan 0.000 0.513 294 L N -0.585 120.764 121.223 0.209 0.000 2.131 294 L HA -0.127 4.208 4.340 -0.009 0.000 0.206 294 L C 2.631 179.456 176.870 -0.075 0.000 1.087 294 L CA 1.532 56.432 54.840 0.099 0.000 0.767 294 L CB -0.778 41.370 42.059 0.150 0.000 0.917 294 L HN 0.370 nan 8.230 nan 0.000 0.441 295 T N -4.867 109.636 114.554 -0.084 0.000 2.951 295 T HA -0.131 4.214 4.350 -0.009 0.000 0.268 295 T C 1.806 176.437 174.700 -0.116 0.000 1.073 295 T CA 1.445 63.480 62.100 -0.110 0.000 1.134 295 T CB -0.502 68.305 68.868 -0.102 0.000 0.884 295 T HN 0.127 nan 8.240 nan 0.000 0.479 296 T N 2.419 116.892 114.554 -0.136 0.000 2.708 296 T HA 0.074 4.419 4.350 -0.009 0.000 0.266 296 T C 1.864 176.448 174.700 -0.193 0.000 1.037 296 T CA 1.330 63.330 62.100 -0.165 0.000 1.146 296 T CB -0.513 68.235 68.868 -0.199 0.000 0.865 296 T HN 0.296 nan 8.240 nan 0.000 0.435 297 L N 0.509 121.579 121.223 -0.255 0.000 1.994 297 L HA -0.057 4.278 4.340 -0.009 0.000 0.208 297 L C 3.063 179.866 176.870 -0.112 0.000 1.071 297 L CA 1.577 56.294 54.840 -0.204 0.000 0.745 297 L CB -1.232 40.703 42.059 -0.207 0.000 0.892 297 L HN 0.379 nan 8.230 nan 0.000 0.431 298 G N -0.147 108.592 108.800 -0.101 0.000 2.476 298 G HA2 -0.294 3.661 3.960 -0.009 0.000 0.218 298 G HA3 -0.294 3.661 3.960 -0.009 0.000 0.218 298 G C 1.096 175.957 174.900 -0.065 0.000 1.164 298 G CA 1.246 46.301 45.100 -0.076 0.000 0.768 298 G HN 0.343 nan 8.290 nan 0.000 0.560 299 D N 0.076 120.430 120.400 -0.077 0.000 2.162 299 D HA 0.015 4.649 4.640 -0.009 0.000 0.203 299 D C 2.450 178.715 176.300 -0.057 0.000 0.967 299 D CA 0.715 54.677 54.000 -0.064 0.000 0.840 299 D CB 0.024 40.783 40.800 -0.069 0.000 0.972 299 D HN 0.150 nan 8.370 nan 0.000 0.482 300 K N -0.000 120.357 120.400 -0.071 0.000 2.242 300 K HA 0.092 4.407 4.320 -0.009 0.000 0.200 300 K C 0.713 177.289 176.600 -0.040 0.000 1.050 300 K CA -0.276 55.972 56.287 -0.064 0.000 0.981 300 K CB -0.237 32.208 32.500 -0.093 0.000 0.795 300 K HN 0.107 nan 8.250 nan 0.000 0.477 301 L N 3.306 124.507 121.223 -0.036 0.000 2.462 301 L HA 0.051 4.386 4.340 -0.009 0.000 0.272 301 L C -0.282 176.598 176.870 0.017 0.000 1.166 301 L CA -0.084 54.755 54.840 -0.001 0.000 0.880 301 L CB -0.016 42.049 42.059 0.009 0.000 1.142 301 L HN 0.080 nan 8.230 nan 0.000 0.473 302 N N 7.271 125.991 118.700 0.034 0.000 2.293 302 N HA -0.036 4.699 4.740 -0.009 0.000 0.253 302 N C -1.648 173.889 175.510 0.046 0.000 1.248 302 N CA -0.846 52.227 53.050 0.039 0.000 0.845 302 N CB 0.232 38.749 38.487 0.050 0.000 1.073 302 N HN 0.450 nan 8.380 nan 0.000 0.464 303 P HA -0.133 nan 4.420 nan 0.000 0.220 303 P C 0.938 178.278 177.300 0.068 0.000 1.148 303 P CA 1.189 64.315 63.100 0.045 0.000 0.803 303 P CB 0.122 31.842 31.700 0.033 0.000 0.782 304 S N -0.986 114.759 115.700 0.075 0.000 2.515 304 S HA -0.021 4.444 4.470 -0.009 0.000 0.231 304 S C 1.027 175.693 174.600 0.111 0.000 0.987 304 S CA -0.012 58.246 58.200 0.098 0.000 0.936 304 S CB -1.235 62.022 63.200 0.095 0.000 0.766 304 S HN 0.051 nan 8.310 nan 0.000 0.528 305 I N 2.893 123.523 120.570 0.100 0.000 2.556 305 I HA 0.114 4.279 4.170 -0.009 0.000 0.284 305 I C 0.293 176.475 176.117 0.107 0.000 1.114 305 I CA -0.323 61.039 61.300 0.105 0.000 1.418 305 I CB 0.553 38.618 38.000 0.109 0.000 1.394 305 I HN 0.200 nan 8.210 nan 0.000 0.552 306 Q N 6.601 126.455 119.800 0.089 0.000 2.293 306 Q HA 0.510 4.845 4.340 -0.009 0.000 0.251 306 Q C -0.534 175.527 176.000 0.100 0.000 0.930 306 Q CA -0.218 55.645 55.803 0.100 0.000 0.893 306 Q CB 2.092 30.815 28.738 -0.026 0.000 1.215 306 Q HN 0.524 nan 8.270 nan 0.000 0.425 307 I N 2.716 123.383 120.570 0.161 0.000 2.389 307 I HA 0.305 4.470 4.170 -0.009 0.000 0.288 307 I C 0.135 176.414 176.117 0.269 0.000 0.999 307 I CA -0.435 60.980 61.300 0.192 0.000 1.129 307 I CB 1.267 39.367 38.000 0.167 0.000 1.288 307 I HN 0.353 nan 8.210 nan 0.000 0.444 308 M N 5.356 125.120 119.600 0.273 0.000 2.247 308 M HA 0.352 4.827 4.480 -0.009 0.000 0.326 308 M C -0.813 175.758 176.300 0.450 0.000 1.134 308 M CA 0.003 55.506 55.300 0.338 0.000 1.136 308 M CB 1.687 34.428 32.600 0.235 0.000 1.454 308 M HN 0.585 nan 8.290 nan 0.000 0.467 309 W N 0.921 122.306 121.300 0.142 0.000 3.800 309 W HA 0.175 4.832 4.660 -0.006 0.000 0.299 309 W C -0.492 176.074 176.519 0.079 0.000 1.231 309 W CA -0.549 56.864 57.345 0.113 0.000 1.232 309 W CB 1.701 31.251 29.460 0.151 0.000 1.291 309 W HN 0.815 nan 8.180 nan 0.000 0.514 310 T N 1.161 115.475 114.554 -0.401 0.000 3.069 310 T HA 0.494 4.839 4.350 -0.009 0.000 0.252 310 T C 0.767 175.253 174.700 -0.356 0.000 1.053 310 T CA 0.967 62.889 62.100 -0.297 0.000 0.964 310 T CB 0.787 69.429 68.868 -0.376 0.000 1.005 310 T HN 1.276 nan 8.240 nan 0.000 0.532 311 G N 1.292 109.656 108.800 -0.727 0.000 2.337 311 G HA2 -0.135 3.820 3.960 -0.009 0.000 0.197 311 G HA3 -0.135 3.820 3.960 -0.009 0.000 0.197 311 G C -0.369 174.309 174.900 -0.370 0.000 1.238 311 G CA 0.037 44.963 45.100 -0.291 0.000 1.119 311 G HN 0.135 nan 8.290 nan 0.000 0.514 312 D N 1.068 121.386 120.400 -0.137 0.000 2.219 312 D HA 0.080 4.715 4.640 -0.009 0.000 0.205 312 D C 1.475 177.603 176.300 -0.287 0.000 0.970 312 D CA 1.277 55.176 54.000 -0.169 0.000 0.851 312 D CB 0.136 40.883 40.800 -0.089 0.000 0.943 312 D HN 0.456 nan 8.370 nan 0.000 0.488 313 R N -1.205 119.094 120.500 -0.335 0.000 2.831 313 R HA 0.329 4.663 4.340 -0.009 0.000 0.266 313 R C 1.138 177.104 176.300 -0.556 0.000 1.051 313 R CA -0.748 55.109 56.100 -0.406 0.000 0.943 313 R CB 1.397 31.551 30.300 -0.244 0.000 1.228 313 R HN -0.290 nan 8.270 nan 0.000 0.467 314 V N 1.095 120.582 119.914 -0.712 0.000 2.282 314 V HA -0.156 3.958 4.120 -0.009 0.000 0.249 314 V C 1.086 176.773 176.094 -0.677 0.000 1.057 314 V CA 1.621 63.449 62.300 -0.788 0.000 1.032 314 V CB -0.260 30.990 31.823 -0.954 0.000 0.645 314 V HN 0.464 nan 8.190 nan 0.000 0.447 315 I N 1.348 121.489 120.570 -0.715 0.000 2.359 315 I HA 0.520 4.685 4.170 -0.009 0.000 0.284 315 I C -0.099 175.763 176.117 -0.425 0.000 1.018 315 I CA 0.302 61.187 61.300 -0.691 0.000 1.173 315 I CB 0.467 37.919 38.000 -0.914 0.000 1.326 315 I HN 0.391 nan 8.210 nan 0.000 0.462 316 S N 4.189 119.743 115.700 -0.243 0.000 2.596 316 S HA 0.625 5.090 4.470 -0.009 0.000 0.270 316 S C -1.263 173.503 174.600 0.276 0.000 1.155 316 S CA -1.001 57.232 58.200 0.054 0.000 0.827 316 S CB 2.743 65.939 63.200 -0.006 0.000 1.130 316 S HN 0.389 nan 8.310 nan 0.000 0.467 317 D N 0.953 121.534 120.400 0.301 0.000 2.193 317 D HA 0.481 5.116 4.640 -0.009 0.000 0.249 317 D C -0.172 176.197 176.300 0.114 0.000 1.034 317 D CA -0.408 53.742 54.000 0.251 0.000 0.902 317 D CB 0.848 41.736 40.800 0.147 0.000 1.182 317 D HN 0.459 nan 8.370 nan 0.000 0.436 318 I N 1.593 122.190 120.570 0.045 0.000 2.371 318 I HA 0.169 4.334 4.170 -0.009 0.000 0.290 318 I C 1.109 177.283 176.117 0.095 0.000 1.028 318 I CA -0.353 61.014 61.300 0.112 0.000 1.345 318 I CB 0.285 38.392 38.000 0.180 0.000 1.407 318 I HN 0.321 nan 8.210 nan 0.000 0.501 319 T N 2.770 117.394 114.554 0.117 0.000 2.940 319 T HA 0.469 4.814 4.350 -0.009 0.000 0.288 319 T C 1.009 175.777 174.700 0.113 0.000 1.045 319 T CA -0.791 61.367 62.100 0.097 0.000 1.018 319 T CB 2.297 71.216 68.868 0.084 0.000 1.151 319 T HN 0.616 nan 8.240 nan 0.000 0.529 320 R N 0.086 120.641 120.500 0.092 0.000 2.066 320 R HA -0.105 4.230 4.340 -0.009 0.000 0.232 320 R C 1.361 177.724 176.300 0.105 0.000 1.131 320 R CA 1.872 58.026 56.100 0.090 0.000 0.955 320 R CB -0.512 29.829 30.300 0.068 0.000 0.851 320 R HN 0.703 nan 8.270 nan 0.000 0.432 321 D N -0.580 119.883 120.400 0.105 0.000 2.097 321 D HA -0.105 4.530 4.640 -0.009 0.000 0.195 321 D C 1.723 178.131 176.300 0.179 0.000 0.989 321 D CA 1.615 55.691 54.000 0.126 0.000 0.827 321 D CB -0.580 40.282 40.800 0.103 0.000 0.966 321 D HN 0.499 nan 8.370 nan 0.000 0.456 322 G N 0.715 109.619 108.800 0.172 0.000 2.418 322 G HA2 -0.224 3.731 3.960 -0.009 0.000 0.217 322 G HA3 -0.224 3.731 3.960 -0.009 0.000 0.217 322 G C 1.753 176.837 174.900 0.307 0.000 1.158 322 G CA 0.285 45.526 45.100 0.235 0.000 0.771 322 G HN 0.304 nan 8.290 nan 0.000 0.545 323 I N 0.636 121.345 120.570 0.231 0.000 2.439 323 I HA -0.103 4.061 4.170 -0.009 0.000 0.251 323 I C 2.752 178.939 176.117 0.116 0.000 1.139 323 I CA 1.009 62.418 61.300 0.183 0.000 1.438 323 I CB 0.130 38.227 38.000 0.162 0.000 1.085 323 I HN 0.099 nan 8.210 nan 0.000 0.427 324 S N -0.146 115.631 115.700 0.128 0.000 2.383 324 S HA -0.234 4.231 4.470 -0.009 0.000 0.227 324 S C 1.421 176.071 174.600 0.084 0.000 1.026 324 S CA 1.332 59.582 58.200 0.083 0.000 0.981 324 S CB -0.497 62.752 63.200 0.081 0.000 0.818 324 S HN 0.680 nan 8.310 nan 0.000 0.472 325 W N 1.861 123.152 121.300 -0.015 0.000 2.354 325 W HA -0.148 4.510 4.660 -0.003 0.000 0.315 325 W C 1.940 178.377 176.519 -0.138 0.000 1.206 325 W CA 1.036 58.364 57.345 -0.029 0.000 1.290 325 W CB -0.454 29.030 29.460 0.040 0.000 1.152 325 W HN 0.206 nan 8.180 nan 0.000 0.489 326 I N 1.788 122.397 120.570 0.065 0.000 2.142 326 I HA -0.338 3.827 4.170 -0.009 0.000 0.240 326 I C 1.925 177.820 176.117 -0.371 0.000 1.078 326 I CA 1.967 63.005 61.300 -0.436 0.000 1.343 326 I CB -1.238 36.062 38.000 -1.167 0.000 1.046 326 I HN -0.020 nan 8.210 nan 0.000 0.405 327 N N 1.066 119.639 118.700 -0.212 0.000 2.132 327 N HA -0.232 4.503 4.740 -0.009 0.000 0.191 327 N C 1.725 177.140 175.510 -0.159 0.000 1.015 327 N CA 1.806 54.772 53.050 -0.140 0.000 0.864 327 N CB -0.391 38.060 38.487 -0.061 0.000 1.006 327 N HN 0.577 nan 8.380 nan 0.000 0.430 328 E N 0.120 120.203 120.200 -0.196 0.000 2.106 328 E HA -0.089 4.255 4.350 -0.009 0.000 0.192 328 E C 2.005 178.459 176.600 -0.243 0.000 0.984 328 E CA 0.744 57.023 56.400 -0.201 0.000 0.806 328 E CB -0.038 29.532 29.700 -0.217 0.000 0.750 328 E HN 0.345 nan 8.360 nan 0.000 0.458 329 R N 0.695 120.988 120.500 -0.344 0.000 2.075 329 R HA 0.003 4.337 4.340 -0.009 0.000 0.226 329 R C 2.539 178.713 176.300 -0.209 0.000 1.114 329 R CA 1.119 57.029 56.100 -0.316 0.000 0.972 329 R CB -0.236 29.790 30.300 -0.456 0.000 0.869 329 R HN 0.296 nan 8.270 nan 0.000 0.437 330 I N -2.101 118.350 120.570 -0.199 0.000 3.419 330 I HA 0.122 4.287 4.170 -0.009 0.000 0.286 330 I C -0.301 175.768 176.117 -0.080 0.000 1.268 330 I CA 0.122 61.349 61.300 -0.122 0.000 1.414 330 I CB 0.316 38.256 38.000 -0.101 0.000 1.074 330 I HN -0.067 nan 8.210 nan 0.000 0.457 331 K N 2.065 122.413 120.400 -0.087 0.000 3.281 331 K HA -0.179 4.136 4.320 -0.009 0.000 0.295 331 K C -0.211 176.374 176.600 -0.024 0.000 1.233 331 K CA 1.189 57.442 56.287 -0.056 0.000 0.866 331 K CB -1.972 30.498 32.500 -0.050 0.000 1.265 331 K HN 0.858 nan 8.250 nan 0.000 0.482 332 R N -2.095 118.396 120.500 -0.015 0.000 2.752 332 R HA 0.561 4.896 4.340 -0.009 0.000 0.271 332 R C -3.293 173.023 176.300 0.027 0.000 1.026 332 R CA -1.953 54.160 56.100 0.021 0.000 0.901 332 R CB 1.181 31.513 30.300 0.053 0.000 1.243 332 R HN -0.301 nan 8.270 nan 0.000 0.463 333 P HA 0.175 nan 4.420 nan 0.000 0.282 333 P C -0.621 176.746 177.300 0.112 0.000 1.262 333 P CA -0.137 63.004 63.100 0.068 0.000 0.773 333 P CB 1.187 32.931 31.700 0.073 0.000 0.879 334 A N 3.876 126.754 122.820 0.096 0.000 2.498 334 A HA 0.031 4.345 4.320 -0.009 0.000 0.239 334 A C -0.581 177.156 177.584 0.256 0.000 1.068 334 A CA 0.156 52.289 52.037 0.159 0.000 0.766 334 A CB -0.531 18.535 19.000 0.111 0.000 1.003 334 A HN 0.595 nan 8.150 nan 0.000 0.497 335 Y N 3.929 124.345 120.300 0.193 0.000 2.518 335 Y HA 0.325 4.869 4.550 -0.009 0.000 0.344 335 Y C 0.034 176.060 175.900 0.210 0.000 0.982 335 Y CA -0.879 57.343 58.100 0.204 0.000 1.234 335 Y CB 0.272 38.844 38.460 0.186 0.000 1.114 335 Y HN 0.476 nan 8.280 nan 0.000 0.515 336 I N 6.143 126.838 120.570 0.209 0.000 2.533 336 I HA -0.149 4.016 4.170 -0.009 0.000 0.284 336 I C -0.127 176.025 176.117 0.058 0.000 1.109 336 I CA -0.100 61.271 61.300 0.118 0.000 1.412 336 I CB 0.203 38.151 38.000 -0.087 0.000 1.396 336 I HN 0.706 nan 8.210 nan 0.000 0.543 337 W N 9.340 130.594 121.300 -0.076 0.000 2.282 337 W HA 0.201 4.856 4.660 -0.008 0.000 0.322 337 W C -1.305 175.121 176.519 -0.156 0.000 1.011 337 W CA -1.573 55.687 57.345 -0.142 0.000 1.392 337 W CB 0.987 30.341 29.460 -0.177 0.000 1.215 337 W HN 0.559 nan 8.180 nan 0.000 0.394 338 W N 8.195 129.378 121.300 -0.196 0.000 2.332 338 W HA 0.274 4.928 4.660 -0.009 0.000 0.306 338 W C 0.178 176.687 176.519 -0.018 0.000 1.149 338 W CA -0.826 56.409 57.345 -0.183 0.000 1.271 338 W CB 0.529 29.771 29.460 -0.364 0.000 1.243 338 W HN 0.247 nan 8.180 nan 0.000 0.459 339 N N 6.912 125.451 118.700 -0.268 0.000 3.178 339 N HA 0.085 4.820 4.740 -0.009 0.000 0.300 339 N C -1.588 173.567 175.510 -0.592 0.000 1.242 339 N CA 0.267 53.119 53.050 -0.329 0.000 1.192 339 N CB -0.608 37.712 38.487 -0.279 0.000 1.463 339 N HN 0.348 nan 8.380 nan 0.000 0.539 340 F N 1.140 120.543 119.950 -0.910 0.000 2.654 340 F HA 0.316 4.837 4.527 -0.009 0.000 0.314 340 F C -2.400 173.067 175.800 -0.555 0.000 1.116 340 F CA -1.592 55.880 58.000 -0.880 0.000 1.017 340 F CB 2.305 40.433 39.000 -1.453 0.000 1.285 340 F HN -0.031 nan 8.300 nan 0.000 0.448 341 P HA 0.067 nan 4.420 nan 0.000 0.254 341 P C 0.121 176.993 177.300 -0.714 0.000 1.494 341 P CA 0.238 62.375 63.100 -1.605 0.000 0.961 341 P CB 0.478 31.381 31.700 -1.328 0.000 1.493 342 V N 2.013 121.664 119.914 -0.438 0.000 2.790 342 V HA -0.075 4.040 4.120 -0.009 0.000 0.304 342 V C 1.090 177.017 176.094 -0.279 0.000 1.142 342 V CA 1.832 63.975 62.300 -0.262 0.000 1.282 342 V CB 0.125 31.900 31.823 -0.080 0.000 0.877 342 V HN 0.456 nan 8.190 nan 0.000 0.504 343 S N 1.775 117.295 115.700 -0.299 0.000 2.952 343 S HA 0.184 4.649 4.470 -0.009 0.000 0.251 343 S C 0.586 175.008 174.600 -0.296 0.000 1.021 343 S CA 0.095 58.062 58.200 -0.387 0.000 1.067 343 S CB 0.153 63.187 63.200 -0.276 0.000 1.002 343 S HN 0.966 nan 8.310 nan 0.000 0.574 344 D N 1.471 121.799 120.400 -0.120 0.000 2.378 344 D HA -0.113 4.521 4.640 -0.009 0.000 0.227 344 D C 1.071 177.416 176.300 0.075 0.000 1.012 344 D CA 0.356 54.369 54.000 0.022 0.000 0.905 344 D CB -0.719 40.179 40.800 0.163 0.000 0.895 344 D HN 0.762 nan 8.370 nan 0.000 0.532 345 Y N -0.809 119.505 120.300 0.024 0.000 2.481 345 Y HA 0.377 4.922 4.550 -0.008 0.000 0.247 345 Y C 0.487 176.417 175.900 0.050 0.000 1.151 345 Y CA -0.641 57.471 58.100 0.021 0.000 1.238 345 Y CB 0.221 38.708 38.460 0.046 0.000 1.179 345 Y HN -0.035 nan 8.280 nan 0.000 0.524 346 V N -1.625 118.092 119.914 -0.328 0.000 2.575 346 V HA 0.477 4.592 4.120 -0.009 0.000 0.281 346 V C 0.618 176.727 176.094 0.026 0.000 1.087 346 V CA -0.776 61.438 62.300 -0.144 0.000 1.193 346 V CB 0.306 31.944 31.823 -0.308 0.000 1.426 346 V HN 0.249 nan 8.190 nan 0.000 0.623 347 R N 1.234 121.790 120.500 0.093 0.000 2.285 347 R HA -0.038 4.297 4.340 -0.009 0.000 0.213 347 R C 1.261 177.747 176.300 0.310 0.000 1.068 347 R CA 1.444 57.641 56.100 0.162 0.000 1.004 347 R CB 0.091 30.493 30.300 0.170 0.000 0.873 347 R HN 0.880 nan 8.270 nan 0.000 0.467 348 D N -1.208 119.382 120.400 0.317 0.000 2.340 348 D HA -0.046 4.589 4.640 -0.009 0.000 0.220 348 D C 0.277 176.839 176.300 0.437 0.000 1.039 348 D CA 0.460 54.661 54.000 0.335 0.000 0.866 348 D CB -0.034 40.864 40.800 0.163 0.000 0.913 348 D HN 0.202 nan 8.370 nan 0.000 0.523 349 H N -0.022 119.225 119.070 0.294 0.000 2.529 349 H HA 0.444 4.995 4.556 -0.008 0.000 0.348 349 H C -0.168 175.077 175.328 -0.138 0.000 1.152 349 H CA -0.861 55.279 56.048 0.153 0.000 1.202 349 H CB 2.313 32.101 29.762 0.044 0.000 1.562 349 H HN -0.103 nan 8.280 nan 0.000 0.515 350 L N 3.042 124.075 121.223 -0.315 0.000 2.343 350 L HA 0.323 4.658 4.340 -0.009 0.000 0.275 350 L C -0.072 176.679 176.870 -0.197 0.000 1.056 350 L CA -0.685 53.883 54.840 -0.454 0.000 0.804 350 L CB 1.238 42.831 42.059 -0.776 0.000 1.203 350 L HN 0.342 nan 8.230 nan 0.000 0.440 351 L N 5.130 126.246 121.223 -0.179 0.000 2.387 351 L HA 0.334 4.669 4.340 -0.009 0.000 0.259 351 L C 0.179 177.035 176.870 -0.024 0.000 1.050 351 L CA -0.067 54.725 54.840 -0.081 0.000 0.922 351 L CB 0.670 42.611 42.059 -0.196 0.000 1.280 351 L HN 0.643 nan 8.230 nan 0.000 0.449 352 L N 1.173 122.432 121.223 0.061 0.000 2.857 352 L HA 0.328 4.663 4.340 -0.009 0.000 0.249 352 L C 1.441 178.562 176.870 0.418 0.000 1.172 352 L CA -0.221 54.709 54.840 0.151 0.000 0.980 352 L CB 0.364 42.441 42.059 0.031 0.000 1.299 352 L HN 0.575 nan 8.230 nan 0.000 0.535 353 G N 1.273 110.289 108.800 0.361 0.000 2.525 353 G HA2 0.287 4.242 3.960 -0.009 0.000 0.276 353 G HA3 0.287 4.242 3.960 -0.009 0.000 0.276 353 G C -2.494 172.509 174.900 0.171 0.000 1.388 353 G CA -0.564 44.658 45.100 0.204 0.000 1.050 353 G HN -0.077 nan 8.290 nan 0.000 0.520 354 P HA 0.353 nan 4.420 nan 0.000 0.283 354 P C -0.793 176.560 177.300 0.089 0.000 1.271 354 P CA -0.525 62.437 63.100 -0.229 0.000 0.841 354 P CB 1.941 33.032 31.700 -1.015 0.000 1.122 355 V N 3.420 123.477 119.914 0.237 0.000 2.406 355 V HA 0.326 4.441 4.120 -0.009 0.000 0.272 355 V C -0.143 176.075 176.094 0.206 0.000 1.043 355 V CA 0.303 62.742 62.300 0.232 0.000 0.915 355 V CB -0.697 31.350 31.823 0.374 0.000 0.988 355 V HN 0.633 nan 8.190 nan 0.000 0.466 356 Y N 2.082 122.321 120.300 -0.102 0.000 2.689 356 Y HA 0.824 5.369 4.550 -0.009 0.000 0.333 356 Y C 0.632 176.454 175.900 -0.129 0.000 1.208 356 Y CA -0.377 57.649 58.100 -0.124 0.000 1.055 356 Y CB 1.521 39.877 38.460 -0.172 0.000 1.304 356 Y HN 0.742 nan 8.280 nan 0.000 0.455 357 G N 0.798 109.583 108.800 -0.025 0.000 2.238 357 G HA2 -0.234 3.721 3.960 -0.009 0.000 0.217 357 G HA3 -0.234 3.721 3.960 -0.009 0.000 0.217 357 G C -0.675 174.161 174.900 -0.108 0.000 0.996 357 G CA -0.171 44.893 45.100 -0.061 0.000 0.632 357 G HN 0.710 nan 8.290 nan 0.000 0.503 358 N N 1.926 120.450 118.700 -0.293 0.000 2.499 358 N HA 0.329 5.064 4.740 -0.009 0.000 0.281 358 N C -0.664 174.778 175.510 -0.113 0.000 1.098 358 N CA -0.290 52.562 53.050 -0.330 0.000 0.979 358 N CB 1.379 39.362 38.487 -0.840 0.000 1.121 358 N HN 0.391 nan 8.380 nan 0.000 0.466 359 D N 0.600 121.009 120.400 0.015 0.000 2.443 359 D HA -0.030 4.605 4.640 -0.009 0.000 0.239 359 D C 0.704 177.091 176.300 0.146 0.000 1.136 359 D CA 0.384 54.430 54.000 0.077 0.000 0.879 359 D CB 0.928 41.771 40.800 0.073 0.000 1.195 359 D HN 0.562 nan 8.370 nan 0.000 0.443 360 T N -0.928 113.700 114.554 0.124 0.000 3.105 360 T HA 0.022 4.367 4.350 -0.009 0.000 0.253 360 T C 1.240 175.936 174.700 -0.007 0.000 1.047 360 T CA 0.309 62.468 62.100 0.099 0.000 0.944 360 T CB -0.097 68.852 68.868 0.135 0.000 1.016 360 T HN 0.401 nan 8.240 nan 0.000 0.544 361 T N -0.243 114.315 114.554 0.007 0.000 3.040 361 T HA 0.316 4.661 4.350 -0.009 0.000 0.266 361 T C 1.212 175.902 174.700 -0.017 0.000 1.005 361 T CA -0.423 61.670 62.100 -0.012 0.000 0.906 361 T CB -0.686 68.188 68.868 0.009 0.000 1.082 361 T HN 0.646 nan 8.240 nan 0.000 0.531 362 I N -1.570 118.992 120.570 -0.013 0.000 3.889 362 I HA 0.704 4.869 4.170 -0.009 0.000 0.332 362 I C 2.003 178.106 176.117 -0.022 0.000 1.493 362 I CA -0.718 60.585 61.300 0.004 0.000 1.158 362 I CB -0.269 37.761 38.000 0.050 0.000 1.117 362 I HN 0.085 nan 8.210 nan 0.000 0.411 363 A N 2.327 125.096 122.820 -0.086 0.000 1.948 363 A HA -0.221 4.094 4.320 -0.009 0.000 0.220 363 A C 2.317 179.865 177.584 -0.060 0.000 1.177 363 A CA 1.861 53.826 52.037 -0.119 0.000 0.636 363 A CB -0.417 18.476 19.000 -0.178 0.000 0.815 363 A HN 0.538 nan 8.150 nan 0.000 0.449 364 K N -0.388 119.989 120.400 -0.038 0.000 2.283 364 K HA -0.064 4.251 4.320 -0.009 0.000 0.202 364 K C 1.200 177.802 176.600 0.004 0.000 1.048 364 K CA 1.088 57.364 56.287 -0.018 0.000 0.948 364 K CB 0.056 32.548 32.500 -0.013 0.000 0.742 364 K HN 0.409 nan 8.250 nan 0.000 0.458 365 E N 0.381 120.591 120.200 0.016 0.000 2.502 365 E HA -0.003 4.341 4.350 -0.009 0.000 0.194 365 E C 0.442 177.078 176.600 0.060 0.000 1.062 365 E CA 0.461 56.883 56.400 0.037 0.000 0.867 365 E CB -0.098 29.631 29.700 0.048 0.000 0.888 365 E HN 0.447 nan 8.360 nan 0.000 0.510 366 M N -1.975 117.660 119.600 0.058 0.000 2.326 366 M HA 0.491 4.966 4.480 -0.009 0.000 0.306 366 M C 0.484 176.824 176.300 0.065 0.000 1.054 366 M CA -0.617 54.736 55.300 0.088 0.000 0.922 366 M CB 2.310 34.993 32.600 0.138 0.000 1.632 366 M HN -0.407 nan 8.290 nan 0.000 0.436 367 S N 1.422 117.183 115.700 0.102 0.000 2.414 367 S HA 0.303 4.768 4.470 -0.009 0.000 0.227 367 S C 0.756 175.387 174.600 0.050 0.000 1.022 367 S CA 0.865 59.152 58.200 0.145 0.000 0.958 367 S CB 0.068 63.451 63.200 0.305 0.000 0.797 367 S HN 0.957 nan 8.310 nan 0.000 0.493 368 G N -0.333 108.342 108.800 -0.208 0.000 2.649 368 G HA2 0.615 4.570 3.960 -0.009 0.000 0.290 368 G HA3 0.615 4.570 3.960 -0.009 0.000 0.290 368 G C -2.144 172.632 174.900 -0.208 0.000 1.426 368 G CA -0.657 44.145 45.100 -0.496 0.000 0.794 368 G HN 0.128 nan 8.290 nan 0.000 0.483 369 F N 1.033 120.841 119.950 -0.236 0.000 2.653 369 F HA 0.555 5.076 4.527 -0.009 0.000 0.327 369 F C -0.354 175.459 175.800 0.022 0.000 1.195 369 F CA -0.684 57.296 58.000 -0.033 0.000 0.993 369 F CB 1.874 40.895 39.000 0.034 0.000 1.259 369 F HN 0.572 nan 8.300 nan 0.000 0.478 370 V N 1.682 121.556 119.914 -0.068 0.000 2.960 370 V HA 0.809 4.924 4.120 -0.009 0.000 0.315 370 V C -0.750 175.306 176.094 -0.062 0.000 1.087 370 V CA -0.734 61.569 62.300 0.005 0.000 0.982 370 V CB 1.549 33.351 31.823 -0.034 0.000 1.039 370 V HN 0.734 nan 8.190 nan 0.000 0.437 371 T N 2.149 116.720 114.554 0.028 0.000 2.786 371 T HA 0.390 4.735 4.350 -0.009 0.000 0.283 371 T C -0.450 174.183 174.700 -0.112 0.000 0.992 371 T CA -0.377 61.769 62.100 0.076 0.000 0.954 371 T CB 0.537 69.598 68.868 0.322 0.000 0.934 371 T HN 0.944 nan 8.240 nan 0.000 0.440 372 N N 6.650 125.201 118.700 -0.250 0.000 2.420 372 N HA 0.365 5.099 4.740 -0.009 0.000 0.262 372 N C -2.280 173.147 175.510 -0.139 0.000 1.144 372 N CA -1.475 51.412 53.050 -0.271 0.000 0.952 372 N CB 0.938 39.273 38.487 -0.253 0.000 1.081 372 N HN 0.396 nan 8.380 nan 0.000 0.480 373 P HA 0.315 nan 4.420 nan 0.000 0.307 373 P C -0.366 176.830 177.300 -0.173 0.000 1.307 373 P CA -0.612 62.481 63.100 -0.012 0.000 0.814 373 P CB 1.300 33.187 31.700 0.311 0.000 1.311 374 M N 0.146 119.620 119.600 -0.210 0.000 2.202 374 M HA 0.106 4.581 4.480 -0.009 0.000 0.316 374 M C 1.866 177.794 176.300 -0.621 0.000 1.138 374 M CA 0.098 55.153 55.300 -0.409 0.000 1.151 374 M CB 0.155 32.616 32.600 -0.233 0.000 1.422 374 M HN 0.460 nan 8.290 nan 0.000 0.471 375 E N -0.031 119.575 120.200 -0.991 0.000 2.333 375 E HA -0.153 4.192 4.350 -0.009 0.000 0.198 375 E C -0.219 176.257 176.600 -0.206 0.000 1.007 375 E CA 1.049 56.971 56.400 -0.795 0.000 0.845 375 E CB -0.219 29.117 29.700 -0.607 0.000 0.766 375 E HN 0.497 nan 8.360 nan 0.000 0.507 376 H N 0.590 119.623 119.070 -0.061 0.000 2.911 376 H HA 0.313 4.864 4.556 -0.009 0.000 0.273 376 H C 0.721 175.957 175.328 -0.154 0.000 1.157 376 H CA 0.283 56.273 56.048 -0.096 0.000 1.402 376 H CB 1.316 30.970 29.762 -0.180 0.000 1.463 376 H HN 0.255 nan 8.280 nan 0.000 0.475 377 A N 3.883 126.530 122.820 -0.288 0.000 1.855 377 A HA -0.129 4.186 4.320 -0.009 0.000 0.215 377 A C 2.135 179.407 177.584 -0.520 0.000 1.191 377 A CA 0.874 52.422 52.037 -0.815 0.000 0.613 377 A CB 0.099 18.230 19.000 -1.449 0.000 0.829 377 A HN 0.522 nan 8.150 nan 0.000 0.442 378 E N 0.487 120.456 120.200 -0.386 0.000 2.051 378 E HA -0.108 4.237 4.350 -0.009 0.000 0.192 378 E C 2.350 178.788 176.600 -0.270 0.000 0.991 378 E CA 1.392 57.584 56.400 -0.347 0.000 0.799 378 E CB -0.661 28.872 29.700 -0.278 0.000 0.748 378 E HN 0.547 nan 8.360 nan 0.000 0.449 379 S N 1.286 116.870 115.700 -0.193 0.000 2.387 379 S HA -0.121 4.344 4.470 -0.009 0.000 0.230 379 S C 2.104 176.634 174.600 -0.116 0.000 1.035 379 S CA 1.138 59.246 58.200 -0.153 0.000 1.014 379 S CB -0.195 62.908 63.200 -0.161 0.000 0.836 379 S HN 0.151 nan 8.310 nan 0.000 0.466 380 S N 1.120 116.761 115.700 -0.098 0.000 2.474 380 S HA -0.007 4.458 4.470 -0.009 0.000 0.235 380 S C 1.629 176.241 174.600 0.020 0.000 0.997 380 S CA 0.701 58.887 58.200 -0.023 0.000 0.949 380 S CB -0.122 63.124 63.200 0.076 0.000 0.766 380 S HN 0.491 nan 8.310 nan 0.000 0.517 381 K N 0.960 121.294 120.400 -0.110 0.000 2.209 381 K HA 0.008 4.323 4.320 -0.009 0.000 0.204 381 K C 1.690 178.379 176.600 0.147 0.000 1.048 381 K CA 0.881 57.094 56.287 -0.122 0.000 0.940 381 K CB -0.279 31.806 32.500 -0.691 0.000 0.729 381 K HN 0.378 nan 8.250 nan 0.000 0.451 382 I N 0.873 121.485 120.570 0.070 0.000 2.127 382 I HA -0.315 3.850 4.170 -0.009 0.000 0.241 382 I C 2.497 178.810 176.117 0.326 0.000 1.075 382 I CA 1.428 62.810 61.300 0.137 0.000 1.334 382 I CB -0.425 37.617 38.000 0.070 0.000 1.040 382 I HN 0.143 nan 8.210 nan 0.000 0.405 383 A N 0.725 123.741 122.820 0.325 0.000 1.930 383 A HA -0.128 4.187 4.320 -0.009 0.000 0.217 383 A C 2.316 180.171 177.584 0.452 0.000 1.175 383 A CA 1.360 53.663 52.037 0.444 0.000 0.627 383 A CB -0.769 18.463 19.000 0.387 0.000 0.815 383 A HN 0.379 nan 8.150 nan 0.000 0.443 384 I N -2.078 118.744 120.570 0.420 0.000 2.179 384 I HA -0.265 3.899 4.170 -0.009 0.000 0.242 384 I C 2.463 178.875 176.117 0.491 0.000 1.088 384 I CA 1.829 63.405 61.300 0.460 0.000 1.357 384 I CB -0.424 37.890 38.000 0.524 0.000 1.051 384 I HN 0.556 nan 8.210 nan 0.000 0.409 385 Y N 1.372 121.934 120.300 0.436 0.000 2.207 385 Y HA -0.299 4.246 4.550 -0.009 0.000 0.287 385 Y C 2.732 178.770 175.900 0.230 0.000 1.156 385 Y CA 1.978 60.241 58.100 0.272 0.000 1.182 385 Y CB -0.044 38.617 38.460 0.334 0.000 0.979 385 Y HN 0.073 nan 8.280 nan 0.000 0.521 386 S N -0.586 115.450 115.700 0.560 0.000 2.368 386 S HA -0.180 4.285 4.470 -0.009 0.000 0.224 386 S C 2.036 176.808 174.600 0.286 0.000 1.029 386 S CA 1.323 59.823 58.200 0.501 0.000 0.988 386 S CB -0.658 62.876 63.200 0.556 0.000 0.838 386 S HN 0.332 nan 8.310 nan 0.000 0.462 387 V N 2.266 122.345 119.914 0.274 0.000 2.332 387 V HA -0.231 3.884 4.120 -0.009 0.000 0.248 387 V C 2.672 178.835 176.094 0.115 0.000 1.055 387 V CA 1.706 64.116 62.300 0.184 0.000 1.038 387 V CB -1.263 30.792 31.823 0.387 0.000 0.651 387 V HN 0.544 nan 8.190 nan 0.000 0.450 388 A N -0.766 122.121 122.820 0.110 0.000 1.940 388 A HA -0.258 4.057 4.320 -0.009 0.000 0.219 388 A C 2.562 180.139 177.584 -0.013 0.000 1.176 388 A CA 2.392 54.442 52.037 0.021 0.000 0.631 388 A CB -0.727 18.226 19.000 -0.079 0.000 0.814 388 A HN 0.498 nan 8.150 nan 0.000 0.446 389 S N -2.095 113.601 115.700 -0.006 0.000 2.357 389 S HA -0.161 4.304 4.470 -0.009 0.000 0.221 389 S C 1.913 176.566 174.600 0.090 0.000 1.031 389 S CA 1.418 59.645 58.200 0.046 0.000 0.982 389 S CB -0.556 62.741 63.200 0.162 0.000 0.853 389 S HN 0.677 nan 8.310 nan 0.000 0.458 390 Y N 2.029 122.179 120.300 -0.250 0.000 2.128 390 Y HA -0.061 4.484 4.550 -0.009 0.000 0.284 390 Y C 2.315 177.989 175.900 -0.376 0.000 1.154 390 Y CA 1.660 59.403 58.100 -0.595 0.000 1.149 390 Y CB -0.863 36.888 38.460 -1.182 0.000 0.976 390 Y HN 0.299 nan 8.280 nan 0.000 0.505 391 A N 0.210 122.815 122.820 -0.358 0.000 2.016 391 A HA -0.136 4.179 4.320 -0.009 0.000 0.217 391 A C 2.166 179.607 177.584 -0.238 0.000 1.162 391 A CA 1.052 52.843 52.037 -0.410 0.000 0.662 391 A CB -1.370 17.549 19.000 -0.134 0.000 0.812 391 A HN 0.853 nan 8.150 nan 0.000 0.450 392 W N 0.327 121.463 121.300 -0.274 0.000 2.441 392 W HA 0.036 4.691 4.660 -0.008 0.000 0.302 392 W C -0.057 176.305 176.519 -0.262 0.000 1.191 392 W CA 1.442 58.647 57.345 -0.235 0.000 1.327 392 W CB 0.025 29.358 29.460 -0.212 0.000 1.128 392 W HN 0.369 nan 8.180 nan 0.000 0.522 393 N N 0.612 119.319 118.700 0.012 0.000 2.791 393 N HA 0.154 4.889 4.740 -0.009 0.000 0.265 393 N C -1.896 173.539 175.510 -0.125 0.000 1.580 393 N CA -1.705 51.303 53.050 -0.070 0.000 0.809 393 N CB 0.732 39.270 38.487 0.085 0.000 1.178 393 N HN -0.124 nan 8.380 nan 0.000 0.499 394 P HA -0.115 nan 4.420 nan 0.000 0.218 394 P C 1.064 178.308 177.300 -0.094 0.000 1.148 394 P CA 0.845 63.713 63.100 -0.386 0.000 0.822 394 P CB 0.341 31.648 31.700 -0.656 0.000 0.784 395 A N 0.338 123.102 122.820 -0.094 0.000 2.019 395 A HA -0.130 4.185 4.320 -0.009 0.000 0.219 395 A C 1.968 179.558 177.584 0.010 0.000 1.164 395 A CA 1.470 53.486 52.037 -0.035 0.000 0.644 395 A CB -0.651 18.315 19.000 -0.057 0.000 0.805 395 A HN 0.078 nan 8.150 nan 0.000 0.449 396 K N -1.329 119.087 120.400 0.025 0.000 2.399 396 K HA 0.139 4.454 4.320 -0.009 0.000 0.204 396 K C -0.543 176.108 176.600 0.085 0.000 1.023 396 K CA -0.485 55.827 56.287 0.040 0.000 1.127 396 K CB -0.156 32.355 32.500 0.020 0.000 0.856 396 K HN 0.500 nan 8.250 nan 0.000 0.514 397 Y N 2.877 123.185 120.300 0.013 0.000 2.650 397 Y HA -0.048 4.497 4.550 -0.008 0.000 0.331 397 Y C -0.170 175.770 175.900 0.067 0.000 1.165 397 Y CA -0.295 57.840 58.100 0.058 0.000 1.473 397 Y CB 0.284 38.822 38.460 0.130 0.000 1.224 397 Y HN -0.033 nan 8.280 nan 0.000 0.533 398 D N 4.897 124.931 120.400 -0.610 0.000 2.461 398 D HA 0.161 4.796 4.640 -0.009 0.000 0.240 398 D C 0.596 176.479 176.300 -0.695 0.000 1.094 398 D CA -0.187 53.547 54.000 -0.443 0.000 0.868 398 D CB 1.354 42.058 40.800 -0.160 0.000 1.062 398 D HN 0.764 nan 8.370 nan 0.000 0.530 399 T N 2.264 116.435 114.554 -0.639 0.000 2.607 399 T HA -0.198 4.146 4.350 -0.009 0.000 0.267 399 T C 1.575 176.117 174.700 -0.264 0.000 1.049 399 T CA 1.322 63.122 62.100 -0.501 0.000 1.162 399 T CB -0.336 68.279 68.868 -0.420 0.000 0.863 399 T HN 0.552 nan 8.240 nan 0.000 0.424 400 W N 1.069 122.318 121.300 -0.084 0.000 2.407 400 W HA -0.013 4.642 4.660 -0.008 0.000 0.305 400 W C 2.959 179.560 176.519 0.136 0.000 1.196 400 W CA 0.468 57.824 57.345 0.018 0.000 1.311 400 W CB -0.380 29.052 29.460 -0.047 0.000 1.135 400 W HN 0.187 nan 8.180 nan 0.000 0.514 401 Q N 0.131 120.092 119.800 0.270 0.000 2.124 401 Q HA -0.152 4.183 4.340 -0.009 0.000 0.202 401 Q C 1.880 178.002 176.000 0.203 0.000 0.977 401 Q CA 2.588 58.511 55.803 0.199 0.000 0.850 401 Q CB -0.725 28.076 28.738 0.104 0.000 0.901 401 Q HN 0.089 nan 8.270 nan 0.000 0.429 402 T N -0.551 114.106 114.554 0.172 0.000 2.821 402 T HA -0.134 4.211 4.350 -0.009 0.000 0.267 402 T C 0.965 175.881 174.700 0.360 0.000 1.046 402 T CA 1.080 63.345 62.100 0.274 0.000 1.139 402 T CB -0.536 68.472 68.868 0.233 0.000 0.871 402 T HN 0.550 nan 8.240 nan 0.000 0.454 403 W N 2.337 123.713 121.300 0.127 0.000 2.355 403 W HA -0.083 4.572 4.660 -0.009 0.000 0.309 403 W C 2.067 178.634 176.519 0.080 0.000 1.206 403 W CA 1.023 58.432 57.345 0.107 0.000 1.284 403 W CB -0.154 29.342 29.460 0.060 0.000 1.145 403 W HN 0.109 nan 8.180 nan 0.000 0.502 404 K N -0.170 120.384 120.400 0.256 0.000 2.026 404 K HA -0.197 4.118 4.320 -0.009 0.000 0.208 404 K C 1.619 178.163 176.600 -0.092 0.000 1.048 404 K CA 1.887 58.181 56.287 0.012 0.000 0.929 404 K CB -0.514 32.094 32.500 0.178 0.000 0.713 404 K HN 0.044 nan 8.250 nan 0.000 0.439 405 D N 0.652 121.055 120.400 0.004 0.000 2.144 405 D HA -0.140 4.494 4.640 -0.009 0.000 0.199 405 D C 1.850 177.923 176.300 -0.378 0.000 0.984 405 D CA 1.327 55.303 54.000 -0.040 0.000 0.834 405 D CB -0.276 40.634 40.800 0.183 0.000 0.955 405 D HN 0.221 nan 8.370 nan 0.000 0.465 406 A N 0.893 123.354 122.820 -0.599 0.000 1.865 406 A HA -0.172 4.143 4.320 -0.009 0.000 0.217 406 A C 2.404 179.650 177.584 -0.564 0.000 1.191 406 A CA 1.093 52.487 52.037 -1.072 0.000 0.623 406 A CB -0.862 17.833 19.000 -0.509 0.000 0.826 406 A HN 0.193 nan 8.150 nan 0.000 0.444 407 I N -1.183 119.109 120.570 -0.463 0.000 2.208 407 I HA -0.255 3.909 4.170 -0.009 0.000 0.245 407 I C 2.748 178.692 176.117 -0.287 0.000 1.097 407 I CA 1.677 62.733 61.300 -0.407 0.000 1.363 407 I CB -0.240 37.421 38.000 -0.565 0.000 1.051 407 I HN 0.341 nan 8.210 nan 0.000 0.413 408 R N 0.063 120.411 120.500 -0.253 0.000 2.148 408 R HA -0.119 4.215 4.340 -0.009 0.000 0.227 408 R C 2.080 178.296 176.300 -0.140 0.000 1.103 408 R CA 1.603 57.604 56.100 -0.166 0.000 0.983 408 R CB -0.057 30.171 30.300 -0.120 0.000 0.874 408 R HN 0.301 nan 8.270 nan 0.000 0.451 409 T N 0.483 114.929 114.554 -0.180 0.000 2.896 409 T HA 0.024 4.369 4.350 -0.009 0.000 0.263 409 T C 1.723 176.386 174.700 -0.063 0.000 1.050 409 T CA 0.872 62.917 62.100 -0.092 0.000 1.140 409 T CB 0.044 68.870 68.868 -0.069 0.000 0.877 409 T HN 0.155 nan 8.240 nan 0.000 0.457 410 I N -0.011 120.485 120.570 -0.124 0.000 2.353 410 I HA 0.049 4.213 4.170 -0.009 0.000 0.248 410 I C 0.677 176.715 176.117 -0.132 0.000 1.119 410 I CA 0.901 62.124 61.300 -0.129 0.000 1.417 410 I CB 0.255 38.139 38.000 -0.193 0.000 1.078 410 I HN 0.101 nan 8.210 nan 0.000 0.421 411 L N 0.917 122.057 121.223 -0.138 0.000 2.511 411 L HA 0.340 4.675 4.340 -0.009 0.000 0.252 411 L C -2.041 174.766 176.870 -0.106 0.000 1.542 411 L CA -1.218 53.548 54.840 -0.123 0.000 0.822 411 L CB 0.659 42.634 42.059 -0.139 0.000 1.050 411 L HN -0.189 nan 8.230 nan 0.000 0.516 412 P HA -0.125 nan 4.420 nan 0.000 0.218 412 P C 1.427 178.688 177.300 -0.066 0.000 1.148 412 P CA 1.479 64.535 63.100 -0.073 0.000 0.822 412 P CB 0.197 31.862 31.700 -0.058 0.000 0.784 413 S N -1.132 114.529 115.700 -0.066 0.000 2.453 413 S HA 0.144 4.609 4.470 -0.009 0.000 0.231 413 S C 1.423 175.987 174.600 -0.060 0.000 1.005 413 S CA 0.728 58.893 58.200 -0.057 0.000 0.949 413 S CB -0.549 62.617 63.200 -0.056 0.000 0.774 413 S HN 0.149 nan 8.310 nan 0.000 0.510 414 A N -0.097 122.679 122.820 -0.073 0.000 3.106 414 A HA 0.860 5.175 4.320 -0.009 0.000 0.227 414 A C 1.205 178.738 177.584 -0.084 0.000 0.920 414 A CA 0.064 52.057 52.037 -0.073 0.000 1.088 414 A CB -0.297 18.653 19.000 -0.082 0.000 1.233 414 A HN 0.431 nan 8.150 nan 0.000 0.503 415 A N 0.433 123.203 122.820 -0.084 0.000 1.877 415 A HA -0.113 4.202 4.320 -0.009 0.000 0.216 415 A C 1.807 179.334 177.584 -0.095 0.000 1.186 415 A CA 1.700 53.673 52.037 -0.107 0.000 0.620 415 A CB -0.346 18.592 19.000 -0.103 0.000 0.822 415 A HN 0.563 nan 8.150 nan 0.000 0.443 416 E N -0.185 119.983 120.200 -0.054 0.000 2.085 416 E HA -0.232 4.113 4.350 -0.009 0.000 0.194 416 E C 1.953 178.550 176.600 -0.005 0.000 0.994 416 E CA 1.596 57.984 56.400 -0.020 0.000 0.801 416 E CB -0.262 29.441 29.700 0.005 0.000 0.743 416 E HN 0.681 nan 8.360 nan 0.000 0.453 417 E N 0.917 121.106 120.200 -0.018 0.000 2.077 417 E HA -0.160 4.184 4.350 -0.009 0.000 0.193 417 E C 1.936 178.526 176.600 -0.016 0.000 0.989 417 E CA 0.418 56.813 56.400 -0.007 0.000 0.800 417 E CB -0.262 29.415 29.700 -0.038 0.000 0.746 417 E HN 0.070 nan 8.360 nan 0.000 0.452 418 L N 1.233 122.416 121.223 -0.066 0.000 2.046 418 L HA -0.148 4.187 4.340 -0.009 0.000 0.208 418 L C 1.797 178.631 176.870 -0.060 0.000 1.077 418 L CA 1.839 56.635 54.840 -0.072 0.000 0.747 418 L CB -0.376 41.599 42.059 -0.139 0.000 0.896 418 L HN 0.111 nan 8.230 nan 0.000 0.432 419 E N -1.403 118.728 120.200 -0.114 0.000 2.077 419 E HA -0.288 4.057 4.350 -0.009 0.000 0.193 419 E C 2.354 179.022 176.600 0.112 0.000 0.989 419 E CA 1.530 57.870 56.400 -0.101 0.000 0.800 419 E CB -0.404 29.254 29.700 -0.070 0.000 0.746 419 E HN 0.701 nan 8.360 nan 0.000 0.452 420 C N 0.369 119.736 119.300 0.111 0.000 2.413 420 C HA -0.184 4.271 4.460 -0.009 0.000 0.277 420 C C 2.487 177.607 174.990 0.217 0.000 1.228 420 C CA 0.794 59.920 59.018 0.181 0.000 1.731 420 C CB -1.183 26.695 27.740 0.230 0.000 2.042 420 C HN 0.481 nan 8.230 nan 0.000 0.468 421 F N 2.131 122.028 119.950 -0.090 0.000 2.102 421 F HA 0.018 4.540 4.527 -0.008 0.000 0.298 421 F C 2.306 178.007 175.800 -0.165 0.000 1.105 421 F CA 1.959 59.708 58.000 -0.419 0.000 1.239 421 F CB -0.767 37.913 39.000 -0.534 0.000 0.991 421 F HN 0.272 nan 8.300 nan 0.000 0.474 422 A N 0.370 123.176 122.820 -0.024 0.000 1.930 422 A HA -0.169 4.146 4.320 -0.009 0.000 0.217 422 A C 2.271 179.971 177.584 0.193 0.000 1.175 422 A CA 1.559 53.630 52.037 0.057 0.000 0.627 422 A CB -0.742 18.385 19.000 0.211 0.000 0.815 422 A HN 0.415 nan 8.150 nan 0.000 0.443 423 M N -0.270 119.465 119.600 0.224 0.000 2.103 423 M HA -0.189 4.286 4.480 -0.009 0.000 0.255 423 M C 1.143 177.363 176.300 -0.133 0.000 1.074 423 M CA 1.667 56.953 55.300 -0.023 0.000 1.090 423 M CB -1.120 31.255 32.600 -0.375 0.000 1.325 423 M HN 0.543 nan 8.290 nan 0.000 0.403 424 H N -1.428 117.739 119.070 0.161 0.000 2.505 424 H HA 0.314 4.865 4.556 -0.009 0.000 0.289 424 H C 0.016 175.382 175.328 0.063 0.000 1.052 424 H CA 0.001 56.149 56.048 0.167 0.000 1.156 424 H CB -0.168 29.792 29.762 0.330 0.000 1.507 424 H HN 0.357 nan 8.280 nan 0.000 0.548 425 N N 0.721 119.415 118.700 -0.010 0.000 2.703 425 N HA 0.058 4.792 4.740 -0.009 0.000 0.283 425 N C 0.175 175.673 175.510 -0.019 0.000 1.851 425 N CA 0.160 53.143 53.050 -0.113 0.000 0.826 425 N CB 1.248 39.425 38.487 -0.516 0.000 1.239 425 N HN 0.186 nan 8.380 nan 0.000 0.495 426 S N -2.110 113.640 115.700 0.083 0.000 2.631 426 S HA 0.085 4.550 4.470 -0.009 0.000 0.246 426 S C 0.315 175.004 174.600 0.149 0.000 1.068 426 S CA -0.184 58.091 58.200 0.124 0.000 0.995 426 S CB 0.921 64.192 63.200 0.119 0.000 0.944 426 S HN 0.164 nan 8.310 nan 0.000 0.529 427 D N 1.034 121.519 120.400 0.142 0.000 2.304 427 D HA 0.423 5.057 4.640 -0.009 0.000 0.247 427 D C 0.688 177.025 176.300 0.062 0.000 1.089 427 D CA -0.423 53.644 54.000 0.111 0.000 0.910 427 D CB 0.928 41.793 40.800 0.107 0.000 1.199 427 D HN -0.025 nan 8.370 nan 0.000 0.426 428 L N 2.105 123.298 121.223 -0.050 0.000 2.418 428 L HA 0.287 4.621 4.340 -0.009 0.000 0.218 428 L C 1.496 177.952 176.870 -0.691 0.000 1.125 428 L CA 0.932 55.587 54.840 -0.308 0.000 0.835 428 L CB -1.034 40.982 42.059 -0.071 0.000 0.953 428 L HN 0.769 nan 8.230 nan 0.000 0.454 429 G N -0.680 107.953 108.800 -0.278 0.000 2.860 429 G HA2 -0.189 3.766 3.960 -0.009 0.000 0.553 429 G HA3 -0.189 3.766 3.960 -0.009 0.000 0.553 429 G C -2.567 172.306 174.900 -0.045 0.000 1.439 429 G CA -0.944 44.089 45.100 -0.111 0.000 0.879 429 G HN 0.048 nan 8.290 nan 0.000 0.545 430 P HA 0.327 nan 4.420 nan 0.000 0.266 430 P C 0.043 177.380 177.300 0.062 0.000 1.195 430 P CA 0.410 63.541 63.100 0.051 0.000 0.768 430 P CB 0.530 32.266 31.700 0.060 0.000 0.838 431 N N -1.033 117.720 118.700 0.088 0.000 2.961 431 N HA 0.369 5.103 4.740 -0.009 0.000 0.245 431 N C 0.842 176.391 175.510 0.066 0.000 1.404 431 N CA -0.965 52.155 53.050 0.116 0.000 0.880 431 N CB -0.029 38.608 38.487 0.250 0.000 1.461 431 N HN 0.200 nan 8.380 nan 0.000 0.510 432 G N -1.081 107.703 108.800 -0.027 0.000 2.448 432 G HA2 -0.218 3.737 3.960 -0.009 0.000 0.219 432 G HA3 -0.218 3.737 3.960 -0.009 0.000 0.219 432 G C 0.499 175.311 174.900 -0.146 0.000 1.127 432 G CA 0.709 45.734 45.100 -0.125 0.000 0.766 432 G HN 0.697 nan 8.290 nan 0.000 0.552 433 H N 0.246 119.293 119.070 -0.039 0.000 2.551 433 H HA 0.123 4.674 4.556 -0.009 0.000 0.266 433 H C 2.331 177.673 175.328 0.024 0.000 0.977 433 H CA 0.389 56.385 56.048 -0.086 0.000 1.163 433 H CB -0.060 29.541 29.762 -0.269 0.000 1.381 433 H HN 0.394 nan 8.280 nan 0.000 0.581 434 G N 0.777 109.677 108.800 0.166 0.000 2.203 434 G HA2 -0.329 3.626 3.960 -0.009 0.000 0.263 434 G HA3 -0.329 3.626 3.960 -0.009 0.000 0.263 434 G C -0.109 174.898 174.900 0.179 0.000 1.012 434 G CA 0.556 45.739 45.100 0.138 0.000 0.749 434 G HN 0.549 nan 8.290 nan 0.000 0.512 435 Y N 1.556 121.919 120.300 0.106 0.000 2.335 435 Y HA 0.698 5.243 4.550 -0.009 0.000 0.339 435 Y C 0.438 176.390 175.900 0.087 0.000 0.987 435 Y CA -1.137 57.013 58.100 0.084 0.000 1.140 435 Y CB 0.659 39.172 38.460 0.089 0.000 1.173 435 Y HN 0.168 nan 8.280 nan 0.000 0.486 436 R N 4.995 125.270 120.500 -0.375 0.000 2.854 436 R HA 0.609 4.944 4.340 -0.009 0.000 0.271 436 R C -0.940 175.151 176.300 -0.350 0.000 0.996 436 R CA -1.139 54.825 56.100 -0.226 0.000 0.961 436 R CB 1.816 32.059 30.300 -0.095 0.000 1.182 436 R HN 0.686 nan 8.270 nan 0.000 0.479 437 R N 0.765 121.197 120.500 -0.113 0.000 2.795 437 R HA 0.336 4.671 4.340 -0.009 0.000 0.275 437 R C -0.358 175.985 176.300 0.071 0.000 0.981 437 R CA -0.893 55.197 56.100 -0.018 0.000 0.917 437 R CB 1.828 32.157 30.300 0.049 0.000 1.202 437 R HN 0.607 nan 8.270 nan 0.000 0.469 438 E N 1.516 121.795 120.200 0.132 0.000 2.418 438 E HA 0.043 4.388 4.350 -0.009 0.000 0.261 438 E C -0.386 176.263 176.600 0.083 0.000 1.070 438 E CA 0.514 56.961 56.400 0.077 0.000 0.931 438 E CB 0.788 30.501 29.700 0.022 0.000 0.954 438 E HN 0.346 nan 8.360 nan 0.000 0.439 439 E N 0.475 120.730 120.200 0.091 0.000 2.354 439 E HA 0.119 4.464 4.350 -0.009 0.000 0.283 439 E C -1.200 175.486 176.600 0.143 0.000 0.938 439 E CA -0.422 56.050 56.400 0.120 0.000 0.777 439 E CB 1.196 30.980 29.700 0.140 0.000 1.222 439 E HN 0.431 nan 8.360 nan 0.000 0.423 440 S N 3.255 119.069 115.700 0.190 0.000 3.641 440 S HA -0.186 4.279 4.470 -0.009 0.000 0.346 440 S C 1.020 175.699 174.600 0.133 0.000 1.074 440 S CA 0.897 59.257 58.200 0.266 0.000 1.026 440 S CB -0.838 62.546 63.200 0.307 0.000 0.908 440 S HN 0.625 nan 8.310 nan 0.000 0.479 441 M N 0.516 120.156 119.600 0.067 0.000 2.254 441 M HA -0.065 4.410 4.480 -0.009 0.000 0.265 441 M C 1.796 178.091 176.300 -0.010 0.000 1.066 441 M CA 1.389 56.699 55.300 0.018 0.000 1.123 441 M CB -0.912 31.681 32.600 -0.012 0.000 1.388 441 M HN 0.269 nan 8.290 nan 0.000 0.425 442 D N 0.898 121.284 120.400 -0.024 0.000 2.117 442 D HA -0.112 4.523 4.640 -0.009 0.000 0.197 442 D C 1.898 178.200 176.300 0.002 0.000 0.987 442 D CA 1.336 55.315 54.000 -0.034 0.000 0.829 442 D CB -0.126 40.651 40.800 -0.038 0.000 0.961 442 D HN 0.551 nan 8.370 nan 0.000 0.460 443 I N -1.687 118.906 120.570 0.037 0.000 3.783 443 I HA 0.073 4.238 4.170 -0.009 0.000 0.310 443 I C 2.162 178.284 176.117 0.009 0.000 1.274 443 I CA 0.157 61.464 61.300 0.011 0.000 1.294 443 I CB -0.189 37.805 38.000 -0.009 0.000 1.051 443 I HN -0.165 nan 8.210 nan 0.000 0.435 444 Q N 2.175 121.992 119.800 0.029 0.000 2.133 444 Q HA -0.160 4.175 4.340 -0.009 0.000 0.208 444 Q C -0.518 175.504 176.000 0.038 0.000 0.991 444 Q CA 2.666 58.492 55.803 0.038 0.000 0.867 444 Q CB -0.801 27.963 28.738 0.043 0.000 0.911 444 Q HN 0.413 nan 8.270 nan 0.000 0.417 445 P HA -0.114 nan 4.420 nan 0.000 0.215 445 P C 0.722 178.054 177.300 0.053 0.000 1.157 445 P CA 1.990 65.112 63.100 0.036 0.000 0.863 445 P CB -0.214 31.498 31.700 0.021 0.000 0.787 446 A N -0.163 122.679 122.820 0.037 0.000 1.972 446 A HA -0.096 4.219 4.320 -0.009 0.000 0.219 446 A C 2.266 179.897 177.584 0.077 0.000 1.169 446 A CA 2.013 54.078 52.037 0.047 0.000 0.635 446 A CB -1.545 17.451 19.000 -0.007 0.000 0.810 446 A HN 0.189 nan 8.150 nan 0.000 0.446 447 A N -0.168 122.681 122.820 0.049 0.000 1.835 447 A HA -0.194 4.121 4.320 -0.009 0.000 0.215 447 A C 2.024 179.707 177.584 0.164 0.000 1.199 447 A CA 1.814 53.900 52.037 0.082 0.000 0.615 447 A CB -0.705 18.324 19.000 0.047 0.000 0.838 447 A HN 0.617 nan 8.150 nan 0.000 0.444 448 E N -0.604 119.669 120.200 0.122 0.000 2.204 448 E HA -0.184 4.161 4.350 -0.009 0.000 0.195 448 E C 2.198 178.880 176.600 0.137 0.000 0.990 448 E CA 0.991 57.464 56.400 0.121 0.000 0.821 448 E CB -0.053 29.700 29.700 0.088 0.000 0.750 448 E HN 0.545 nan 8.360 nan 0.000 0.477 449 R N -0.781 119.809 120.500 0.150 0.000 2.119 449 R HA -0.052 4.283 4.340 -0.009 0.000 0.222 449 R C 2.146 178.578 176.300 0.220 0.000 1.088 449 R CA 0.900 57.097 56.100 0.161 0.000 0.984 449 R CB -0.208 30.181 30.300 0.149 0.000 0.884 449 R HN 0.243 nan 8.270 nan 0.000 0.447 450 F N 1.036 121.048 119.950 0.102 0.000 2.146 450 F HA -0.161 4.361 4.527 -0.009 0.000 0.298 450 F C 1.843 177.736 175.800 0.156 0.000 1.096 450 F CA 1.039 59.102 58.000 0.105 0.000 1.275 450 F CB -0.091 38.900 39.000 -0.015 0.000 1.008 450 F HN -0.101 nan 8.300 nan 0.000 0.480 451 L N 0.977 122.282 121.223 0.135 0.000 2.023 451 L HA -0.106 4.228 4.340 -0.009 0.000 0.205 451 L C 2.476 179.418 176.870 0.119 0.000 1.073 451 L CA 1.952 56.857 54.840 0.108 0.000 0.745 451 L CB -1.342 40.826 42.059 0.181 0.000 0.900 451 L HN 0.122 nan 8.230 nan 0.000 0.435 452 K N -0.290 120.180 120.400 0.118 0.000 2.052 452 K HA -0.232 4.083 4.320 -0.009 0.000 0.215 452 K C 1.982 178.647 176.600 0.109 0.000 1.053 452 K CA 2.077 58.427 56.287 0.105 0.000 0.934 452 K CB -0.591 31.966 32.500 0.096 0.000 0.717 452 K HN 0.366 nan 8.250 nan 0.000 0.450 453 A N -0.368 122.525 122.820 0.121 0.000 1.902 453 A HA -0.138 4.177 4.320 -0.009 0.000 0.217 453 A C 2.174 179.872 177.584 0.189 0.000 1.181 453 A CA 1.562 53.683 52.037 0.140 0.000 0.623 453 A CB -0.854 18.250 19.000 0.173 0.000 0.818 453 A HN 0.455 nan 8.150 nan 0.000 0.443 454 F N 0.407 120.335 119.950 -0.036 0.000 2.084 454 F HA 0.050 4.572 4.527 -0.009 0.000 0.296 454 F C 1.341 177.236 175.800 0.159 0.000 1.111 454 F CA 1.053 59.055 58.000 0.004 0.000 1.224 454 F CB -0.440 38.413 39.000 -0.246 0.000 0.991 454 F HN 0.058 nan 8.300 nan 0.000 0.471 461 D N 2.678 123.276 120.400 0.329 0.000 2.425 461 D HA 0.074 4.709 4.640 -0.009 0.000 0.247 461 D C 0.913 177.427 176.300 0.358 0.000 1.147 461 D CA 0.106 54.247 54.000 0.235 0.000 0.879 461 D CB 1.889 42.803 40.800 0.189 0.000 1.179 461 D HN 0.794 nan 8.370 nan 0.000 0.456 462 K N 2.422 122.954 120.400 0.219 0.000 2.113 462 K HA -0.242 4.072 4.320 -0.009 0.000 0.208 462 K C 1.668 178.421 176.600 0.255 0.000 1.047 462 K CA 1.558 57.991 56.287 0.243 0.000 0.928 462 K CB 0.035 32.601 32.500 0.109 0.000 0.716 462 K HN 0.439 nan 8.250 nan 0.000 0.446 463 A N 1.222 124.144 122.820 0.170 0.000 1.933 463 A HA -0.188 4.127 4.320 -0.009 0.000 0.218 463 A C 1.591 179.237 177.584 0.103 0.000 1.175 463 A CA 2.010 54.113 52.037 0.110 0.000 0.628 463 A CB -0.509 18.531 19.000 0.066 0.000 0.814 463 A HN 0.407 nan 8.150 nan 0.000 0.444 464 D N -1.254 119.239 120.400 0.155 0.000 2.144 464 D HA -0.093 4.542 4.640 -0.009 0.000 0.200 464 D C 1.576 177.866 176.300 -0.017 0.000 0.978 464 D CA 0.958 55.015 54.000 0.096 0.000 0.833 464 D CB -0.418 40.502 40.800 0.199 0.000 0.961 464 D HN 0.494 nan 8.370 nan 0.000 0.470 465 F N 1.669 121.586 119.950 -0.055 0.000 2.113 465 F HA -0.123 4.399 4.527 -0.009 0.000 0.297 465 F C 2.227 177.920 175.800 -0.179 0.000 1.103 465 F CA 1.418 59.282 58.000 -0.227 0.000 1.248 465 F CB 0.080 39.088 39.000 0.013 0.000 0.999 465 F HN -0.137 nan 8.300 nan 0.000 0.475 466 E N -0.792 119.502 120.200 0.157 0.000 2.150 466 E HA -0.171 4.174 4.350 -0.009 0.000 0.193 466 E C 2.091 178.654 176.600 -0.062 0.000 0.985 466 E CA 1.596 58.032 56.400 0.060 0.000 0.814 466 E CB -0.184 29.579 29.700 0.106 0.000 0.752 466 E HN 0.355 nan 8.360 nan 0.000 0.466 467 T N 1.115 115.613 114.554 -0.093 0.000 2.708 467 T HA -0.131 4.214 4.350 -0.009 0.000 0.266 467 T C 1.847 176.398 174.700 -0.247 0.000 1.037 467 T CA 0.879 62.913 62.100 -0.110 0.000 1.146 467 T CB -0.148 68.662 68.868 -0.097 0.000 0.865 467 T HN 0.103 nan 8.240 nan 0.000 0.435 468 L N 0.570 121.505 121.223 -0.480 0.000 2.046 468 L HA -0.129 4.205 4.340 -0.009 0.000 0.208 468 L C 2.881 179.068 176.870 -1.137 0.000 1.077 468 L CA 1.392 55.702 54.840 -0.883 0.000 0.747 468 L CB -0.582 40.905 42.059 -0.953 0.000 0.896 468 L HN 0.299 nan 8.230 nan 0.000 0.432 469 Q N -0.591 118.783 119.800 -0.710 0.000 2.061 469 Q HA -0.288 4.047 4.340 -0.009 0.000 0.204 469 Q C 2.248 178.100 176.000 -0.245 0.000 0.984 469 Q CA 2.177 57.729 55.803 -0.419 0.000 0.846 469 Q CB -0.304 28.278 28.738 -0.259 0.000 0.902 469 Q HN 0.465 nan 8.270 nan 0.000 0.421 470 Y N 0.782 120.921 120.300 -0.268 0.000 2.114 470 Y HA -0.276 4.269 4.550 -0.009 0.000 0.282 470 Y C 2.194 177.985 175.900 -0.182 0.000 1.165 470 Y CA 2.218 60.219 58.100 -0.165 0.000 1.148 470 Y CB -0.647 37.739 38.460 -0.124 0.000 0.972 470 Y HN 0.084 nan 8.280 nan 0.000 0.504 471 T N 1.022 115.350 114.554 -0.376 0.000 2.684 471 T HA -0.187 4.158 4.350 -0.009 0.000 0.267 471 T C 1.545 176.036 174.700 -0.349 0.000 1.036 471 T CA 1.825 63.666 62.100 -0.432 0.000 1.148 471 T CB -0.653 67.963 68.868 -0.420 0.000 0.863 471 T HN 0.273 nan 8.240 nan 0.000 0.436 472 F N 1.482 121.273 119.950 -0.264 0.000 2.134 472 F HA 0.043 4.565 4.527 -0.009 0.000 0.299 472 F C 2.491 178.159 175.800 -0.221 0.000 1.097 472 F CA 0.196 58.039 58.000 -0.262 0.000 1.264 472 F CB -1.019 37.830 39.000 -0.252 0.000 1.001 472 F HN 0.244 nan 8.300 nan 0.000 0.479 473 E N 0.169 120.334 120.200 -0.057 0.000 2.058 473 E HA -0.274 4.071 4.350 -0.009 0.000 0.194 473 E C 2.444 178.976 176.600 -0.112 0.000 0.997 473 E CA 1.204 57.559 56.400 -0.076 0.000 0.801 473 E CB -0.010 29.636 29.700 -0.089 0.000 0.746 473 E HN 0.040 nan 8.360 nan 0.000 0.450 474 R N 0.329 120.681 120.500 -0.248 0.000 2.081 474 R HA -0.071 4.263 4.340 -0.009 0.000 0.235 474 R C 2.269 178.567 176.300 -0.002 0.000 1.131 474 R CA 1.602 57.576 56.100 -0.211 0.000 0.960 474 R CB -0.331 29.690 30.300 -0.464 0.000 0.856 474 R HN 0.258 nan 8.270 nan 0.000 0.436 475 M N -0.019 119.595 119.600 0.024 0.000 2.108 475 M HA -0.203 4.272 4.480 -0.009 0.000 0.261 475 M C 2.006 178.419 176.300 0.187 0.000 1.066 475 M CA 1.875 57.268 55.300 0.155 0.000 1.107 475 M CB -0.234 32.209 32.600 -0.262 0.000 1.356 475 M HN 0.047 nan 8.290 nan 0.000 0.406 476 K N 0.122 120.553 120.400 0.051 0.000 2.062 476 K HA -0.126 4.189 4.320 -0.009 0.000 0.205 476 K C 1.834 178.471 176.600 0.062 0.000 1.051 476 K CA 1.277 57.595 56.287 0.052 0.000 0.941 476 K CB -0.134 32.370 32.500 0.007 0.000 0.719 476 K HN 0.409 nan 8.250 nan 0.000 0.440 477 E N 0.544 120.769 120.200 0.041 0.000 2.058 477 E HA -0.151 4.194 4.350 -0.009 0.000 0.194 477 E C 2.113 178.738 176.600 0.042 0.000 0.997 477 E CA 1.484 57.901 56.400 0.028 0.000 0.801 477 E CB 0.026 29.731 29.700 0.008 0.000 0.746 477 E HN 0.145 nan 8.360 nan 0.000 0.450 478 S N 0.774 116.528 115.700 0.089 0.000 2.356 478 S HA -0.173 4.292 4.470 -0.009 0.000 0.223 478 S C 2.163 176.778 174.600 0.025 0.000 1.032 478 S CA 0.924 59.171 58.200 0.078 0.000 1.005 478 S CB -0.311 62.994 63.200 0.175 0.000 0.867 478 S HN 0.400 nan 8.310 nan 0.000 0.449 479 A N 2.331 125.226 122.820 0.126 0.000 1.892 479 A HA -0.218 4.097 4.320 -0.009 0.000 0.218 479 A C 1.874 179.439 177.584 -0.031 0.000 1.188 479 A CA 1.954 54.023 52.037 0.053 0.000 0.631 479 A CB -0.791 18.333 19.000 0.207 0.000 0.822 479 A HN 0.379 nan 8.150 nan 0.000 0.447 480 D N -0.392 120.011 120.400 0.005 0.000 2.149 480 D HA -0.041 4.593 4.640 -0.009 0.000 0.201 480 D C 1.937 178.214 176.300 -0.037 0.000 0.972 480 D CA 1.028 55.022 54.000 -0.010 0.000 0.835 480 D CB -0.254 40.551 40.800 0.008 0.000 0.966 480 D HN 0.530 nan 8.370 nan 0.000 0.476 481 I N 0.640 121.186 120.570 -0.041 0.000 2.202 481 I HA -0.211 3.953 4.170 -0.009 0.000 0.242 481 I C 2.471 178.533 176.117 -0.092 0.000 1.091 481 I CA 0.554 61.821 61.300 -0.054 0.000 1.368 481 I CB -0.146 37.830 38.000 -0.041 0.000 1.058 481 I HN -0.053 nan 8.210 nan 0.000 0.410 482 L N 0.299 121.442 121.223 -0.134 0.000 2.013 482 L HA -0.271 4.064 4.340 -0.009 0.000 0.212 482 L C 2.593 179.347 176.870 -0.193 0.000 1.073 482 L CA 1.566 56.284 54.840 -0.203 0.000 0.753 482 L CB -0.601 41.255 42.059 -0.338 0.000 0.890 482 L HN 0.274 nan 8.230 nan 0.000 0.432 483 L N -1.210 119.905 121.223 -0.181 0.000 2.081 483 L HA -0.250 4.084 4.340 -0.009 0.000 0.212 483 L C 2.270 179.078 176.870 -0.103 0.000 1.080 483 L CA 1.118 55.864 54.840 -0.157 0.000 0.754 483 L CB -0.303 41.686 42.059 -0.117 0.000 0.893 483 L HN 0.378 nan 8.230 nan 0.000 0.433 484 M N -1.078 118.473 119.600 -0.082 0.000 2.495 484 M HA 0.063 4.538 4.480 -0.009 0.000 0.237 484 M C 0.567 176.829 176.300 -0.064 0.000 1.131 484 M CA 0.152 55.416 55.300 -0.059 0.000 1.032 484 M CB -1.013 31.562 32.600 -0.042 0.000 1.513 484 M HN 0.175 nan 8.290 nan 0.000 0.488 485 N N 1.675 120.325 118.700 -0.084 0.000 2.497 485 N HA 0.019 4.754 4.740 -0.009 0.000 0.271 485 N C 0.592 176.056 175.510 -0.076 0.000 1.142 485 N CA 0.685 53.685 53.050 -0.082 0.000 0.965 485 N CB 1.277 39.703 38.487 -0.103 0.000 1.077 485 N HN 0.207 nan 8.380 nan 0.000 0.462 486 T N -0.291 114.225 114.554 -0.064 0.000 3.054 486 T HA 0.077 4.422 4.350 -0.009 0.000 0.255 486 T C 1.199 175.862 174.700 -0.061 0.000 1.035 486 T CA -0.150 61.915 62.100 -0.058 0.000 0.941 486 T CB 0.193 69.033 68.868 -0.045 0.000 1.026 486 T HN 0.645 nan 8.240 nan 0.000 0.533 487 E N 1.825 121.984 120.200 -0.068 0.000 2.107 487 E HA -0.046 4.299 4.350 -0.009 0.000 0.191 487 E C 0.645 177.198 176.600 -0.079 0.000 0.982 487 E CA 0.560 56.920 56.400 -0.068 0.000 0.809 487 E CB 0.187 29.846 29.700 -0.069 0.000 0.756 487 E HN 0.351 nan 8.360 nan 0.000 0.459 488 N N 0.227 118.871 118.700 -0.093 0.000 2.790 488 N HA 0.107 4.841 4.740 -0.009 0.000 0.256 488 N C -0.416 175.029 175.510 -0.108 0.000 1.409 488 N CA -0.103 52.882 53.050 -0.108 0.000 0.799 488 N CB 0.699 39.108 38.487 -0.131 0.000 1.170 488 N HN 0.015 nan 8.380 nan 0.000 0.507 489 K N 0.512 120.857 120.400 -0.090 0.000 2.097 489 K HA -0.053 4.262 4.320 -0.009 0.000 0.206 489 K C -0.996 175.553 176.600 -0.085 0.000 1.049 489 K CA 1.424 57.663 56.287 -0.081 0.000 0.933 489 K CB -0.269 32.194 32.500 -0.061 0.000 0.717 489 K HN 0.351 nan 8.250 nan 0.000 0.442 490 P HA -0.148 nan 4.420 nan 0.000 0.217 490 P C 1.284 178.518 177.300 -0.110 0.000 1.151 490 P CA 0.752 63.795 63.100 -0.094 0.000 0.828 490 P CB 0.103 31.735 31.700 -0.113 0.000 0.788 491 L N -0.640 120.500 121.223 -0.139 0.000 1.989 491 L HA -0.171 4.164 4.340 -0.009 0.000 0.211 491 L C 2.010 178.793 176.870 -0.145 0.000 1.071 491 L CA 2.090 56.837 54.840 -0.155 0.000 0.749 491 L CB -1.233 40.722 42.059 -0.173 0.000 0.890 491 L HN -0.160 nan 8.230 nan 0.000 0.431 492 I N -0.863 119.623 120.570 -0.140 0.000 2.226 492 I HA -0.222 3.943 4.170 -0.009 0.000 0.245 492 I C 2.634 178.681 176.117 -0.116 0.000 1.100 492 I CA 1.186 62.395 61.300 -0.152 0.000 1.374 492 I CB -1.436 36.479 38.000 -0.142 0.000 1.057 492 I HN 0.126 nan 8.210 nan 0.000 0.413 493 V N 1.117 120.985 119.914 -0.077 0.000 2.324 493 V HA -0.292 3.822 4.120 -0.009 0.000 0.250 493 V C 2.479 178.570 176.094 -0.005 0.000 1.060 493 V CA 1.861 64.141 62.300 -0.033 0.000 1.042 493 V CB -0.722 31.093 31.823 -0.015 0.000 0.650 493 V HN 0.453 nan 8.190 nan 0.000 0.450 494 E N 0.298 120.480 120.200 -0.029 0.000 2.051 494 E HA -0.212 4.133 4.350 -0.009 0.000 0.192 494 E C 2.089 178.648 176.600 -0.068 0.000 0.991 494 E CA 1.925 58.307 56.400 -0.030 0.000 0.799 494 E CB -0.282 29.363 29.700 -0.092 0.000 0.748 494 E HN 0.822 nan 8.360 nan 0.000 0.449 495 I N -1.473 119.039 120.570 -0.096 0.000 3.419 495 I HA 0.030 4.195 4.170 -0.009 0.000 0.286 495 I C 1.846 178.021 176.117 0.097 0.000 1.268 495 I CA 0.473 61.761 61.300 -0.019 0.000 1.414 495 I CB -0.061 37.866 38.000 -0.122 0.000 1.074 495 I HN -0.128 nan 8.210 nan 0.000 0.457 496 T N 2.788 117.333 114.554 -0.016 0.000 2.665 496 T HA -0.086 4.259 4.350 -0.009 0.000 0.268 496 T C -0.338 174.270 174.700 -0.154 0.000 1.035 496 T CA 2.426 64.428 62.100 -0.164 0.000 1.151 496 T CB -1.084 67.698 68.868 -0.143 0.000 0.862 496 T HN 0.370 nan 8.240 nan 0.000 0.438 497 P HA -0.079 nan 4.420 nan 0.000 0.215 497 P C 1.299 178.556 177.300 -0.072 0.000 1.153 497 P CA 0.990 64.060 63.100 -0.049 0.000 0.853 497 P CB -0.171 31.346 31.700 -0.306 0.000 0.788 498 W N -0.842 120.479 121.300 0.035 0.000 2.388 498 W HA -0.068 4.587 4.660 -0.009 0.000 0.294 498 W C 1.940 178.602 176.519 0.238 0.000 1.212 498 W CA 0.623 58.057 57.345 0.149 0.000 1.271 498 W CB -0.993 28.594 29.460 0.211 0.000 1.126 498 W HN -0.192 nan 8.180 nan 0.000 0.535 499 V N -0.003 120.034 119.914 0.206 0.000 2.343 499 V HA -0.314 3.801 4.120 -0.009 0.000 0.247 499 V C 2.267 178.416 176.094 0.091 0.000 1.051 499 V CA 1.832 64.100 62.300 -0.053 0.000 1.036 499 V CB -1.084 30.471 31.823 -0.446 0.000 0.654 499 V HN 0.144 nan 8.190 nan 0.000 0.451 500 H N -0.313 118.806 119.070 0.083 0.000 2.352 500 H HA -0.197 4.353 4.556 -0.009 0.000 0.299 500 H C 2.376 177.748 175.328 0.074 0.000 1.097 500 H CA 2.209 58.289 56.048 0.053 0.000 1.311 500 H CB -0.243 29.523 29.762 0.006 0.000 1.377 500 H HN 0.405 nan 8.280 nan 0.000 0.504 501 Q N 0.120 120.049 119.800 0.215 0.000 2.079 501 Q HA -0.102 4.233 4.340 -0.009 0.000 0.200 501 Q C 2.234 178.346 176.000 0.186 0.000 0.974 501 Q CA 1.061 56.944 55.803 0.133 0.000 0.840 501 Q CB -0.574 28.193 28.738 0.049 0.000 0.898 501 Q HN 0.332 nan 8.270 nan 0.000 0.430 502 F N 0.941 120.984 119.950 0.155 0.000 2.091 502 F HA -0.239 4.283 4.527 -0.009 0.000 0.299 502 F C 2.135 177.990 175.800 0.093 0.000 1.103 502 F CA 2.111 60.219 58.000 0.180 0.000 1.228 502 F CB -0.172 39.068 39.000 0.399 0.000 0.984 502 F HN 0.064 nan 8.300 nan 0.000 0.477 503 K N 0.273 120.814 120.400 0.235 0.000 2.057 503 K HA -0.171 4.144 4.320 -0.009 0.000 0.207 503 K C 2.134 178.702 176.600 -0.053 0.000 1.049 503 K CA 1.734 58.065 56.287 0.074 0.000 0.931 503 K CB -0.355 32.216 32.500 0.118 0.000 0.714 503 K HN 0.374 nan 8.250 nan 0.000 0.440 504 L N 0.458 121.662 121.223 -0.030 0.000 2.046 504 L HA -0.196 4.138 4.340 -0.009 0.000 0.208 504 L C 2.425 179.176 176.870 -0.199 0.000 1.077 504 L CA 1.614 56.390 54.840 -0.106 0.000 0.747 504 L CB -0.642 41.373 42.059 -0.074 0.000 0.896 504 L HN 0.294 nan 8.230 nan 0.000 0.432 505 T N -0.188 114.247 114.554 -0.199 0.000 2.684 505 T HA -0.209 4.136 4.350 -0.009 0.000 0.267 505 T C 1.971 176.402 174.700 -0.447 0.000 1.036 505 T CA 1.461 63.388 62.100 -0.287 0.000 1.148 505 T CB -0.244 68.480 68.868 -0.241 0.000 0.863 505 T HN 0.470 nan 8.240 nan 0.000 0.436 506 A N 1.408 123.973 122.820 -0.426 0.000 1.930 506 A HA -0.096 4.219 4.320 -0.009 0.000 0.217 506 A C 2.195 179.501 177.584 -0.463 0.000 1.175 506 A CA 1.459 53.218 52.037 -0.462 0.000 0.627 506 A CB -0.476 18.359 19.000 -0.274 0.000 0.815 506 A HN 0.566 nan 8.150 nan 0.000 0.443 507 E N -0.864 119.140 120.200 -0.327 0.000 2.077 507 E HA -0.221 4.124 4.350 -0.009 0.000 0.193 507 E C 2.044 178.395 176.600 -0.414 0.000 0.989 507 E CA 1.402 57.620 56.400 -0.303 0.000 0.800 507 E CB -0.278 29.281 29.700 -0.235 0.000 0.746 507 E HN 0.713 nan 8.360 nan 0.000 0.452 508 M N 0.540 119.868 119.600 -0.453 0.000 2.159 508 M HA -0.115 4.360 4.480 -0.009 0.000 0.263 508 M C 2.173 178.150 176.300 -0.537 0.000 1.063 508 M CA 1.857 56.871 55.300 -0.477 0.000 1.110 508 M CB -0.202 32.139 32.600 -0.432 0.000 1.374 508 M HN 0.157 nan 8.290 nan 0.000 0.411 509 G N 0.114 108.426 108.800 -0.815 0.000 2.421 509 G HA2 -0.227 3.728 3.960 -0.009 0.000 0.216 509 G HA3 -0.227 3.728 3.960 -0.009 0.000 0.216 509 G C 1.215 175.664 174.900 -0.753 0.000 1.171 509 G CA 0.991 45.313 45.100 -1.296 0.000 0.775 509 G HN 0.597 nan 8.290 nan 0.000 0.543 510 E N 0.297 120.191 120.200 -0.510 0.000 2.085 510 E HA -0.129 4.216 4.350 -0.009 0.000 0.194 510 E C 2.491 179.023 176.600 -0.113 0.000 0.994 510 E CA 1.043 57.366 56.400 -0.128 0.000 0.801 510 E CB -0.034 29.624 29.700 -0.070 0.000 0.743 510 E HN 0.333 nan 8.360 nan 0.000 0.453 511 E N 0.455 120.534 120.200 -0.201 0.000 2.106 511 E HA -0.108 4.237 4.350 -0.009 0.000 0.192 511 E C 2.345 178.880 176.600 -0.108 0.000 0.984 511 E CA 0.546 56.849 56.400 -0.162 0.000 0.806 511 E CB -0.215 29.315 29.700 -0.284 0.000 0.750 511 E HN 0.121 nan 8.360 nan 0.000 0.458 512 V N 1.804 121.643 119.914 -0.125 0.000 2.343 512 V HA -0.230 3.885 4.120 -0.009 0.000 0.247 512 V C 2.529 178.660 176.094 0.062 0.000 1.051 512 V CA 1.280 63.579 62.300 -0.002 0.000 1.036 512 V CB -0.536 31.288 31.823 0.002 0.000 0.654 512 V HN 0.216 nan 8.190 nan 0.000 0.451 513 L N -0.531 120.702 121.223 0.016 0.000 2.079 513 L HA -0.235 4.100 4.340 -0.009 0.000 0.210 513 L C 2.566 179.619 176.870 0.304 0.000 1.081 513 L CA 1.770 56.655 54.840 0.075 0.000 0.752 513 L CB -0.675 41.240 42.059 -0.240 0.000 0.896 513 L HN 0.310 nan 8.230 nan 0.000 0.433 514 K N -0.247 120.286 120.400 0.221 0.000 2.147 514 K HA -0.137 4.178 4.320 -0.009 0.000 0.205 514 K C 2.129 178.911 176.600 0.303 0.000 1.049 514 K CA 1.318 57.788 56.287 0.305 0.000 0.936 514 K CB -0.096 32.557 32.500 0.254 0.000 0.722 514 K HN 0.272 nan 8.250 nan 0.000 0.446 515 M N 0.016 119.707 119.600 0.152 0.000 2.229 515 M HA -0.155 4.320 4.480 -0.009 0.000 0.264 515 M C 2.075 178.627 176.300 0.420 0.000 1.063 515 M CA 1.141 56.508 55.300 0.112 0.000 1.114 515 M CB -0.147 32.330 32.600 -0.205 0.000 1.387 515 M HN -0.068 nan 8.290 nan 0.000 0.420 516 V N 0.092 120.253 119.914 0.412 0.000 2.358 516 V HA -0.181 3.933 4.120 -0.009 0.000 0.246 516 V C 1.291 177.672 176.094 0.478 0.000 1.047 516 V CA 1.363 63.955 62.300 0.486 0.000 1.035 516 V CB -0.521 31.512 31.823 0.350 0.000 0.658 516 V HN 0.445 nan 8.190 nan 0.000 0.452 520 N N 0.436 119.302 118.700 0.276 0.000 2.357 520 N HA 0.199 4.934 4.740 -0.009 0.000 0.284 520 N C 0.023 175.697 175.510 0.273 0.000 1.236 520 N CA -0.699 52.493 53.050 0.237 0.000 0.774 520 N CB 2.200 40.785 38.487 0.164 0.000 1.534 520 N HN 0.234 nan 8.380 nan 0.000 0.478 521 E N 0.240 120.513 120.200 0.122 0.000 2.070 521 E HA -0.297 4.048 4.350 -0.009 0.000 0.197 521 E C 1.170 177.856 176.600 0.144 0.000 1.004 521 E CA 1.888 58.281 56.400 -0.011 0.000 0.805 521 E CB -0.045 29.416 29.700 -0.399 0.000 0.744 521 E HN 0.642 nan 8.360 nan 0.000 0.451 522 S N -0.746 115.031 115.700 0.127 0.000 2.368 522 S HA -0.208 4.257 4.470 -0.009 0.000 0.225 522 S C 1.938 176.653 174.600 0.192 0.000 1.030 522 S CA 1.265 59.544 58.200 0.133 0.000 0.999 522 S CB -0.455 62.810 63.200 0.108 0.000 0.844 522 S HN 0.507 nan 8.310 nan 0.000 0.459 523 Y N 0.822 121.200 120.300 0.131 0.000 2.242 523 Y HA -0.010 4.534 4.550 -0.009 0.000 0.291 523 Y C 1.860 177.862 175.900 0.170 0.000 1.137 523 Y CA 1.623 59.804 58.100 0.135 0.000 1.181 523 Y CB -0.655 37.887 38.460 0.137 0.000 0.989 523 Y HN 0.436 nan 8.280 nan 0.000 0.527 524 F N -0.097 119.904 119.950 0.084 0.000 2.134 524 F HA -0.219 4.303 4.527 -0.009 0.000 0.299 524 F C 1.790 177.505 175.800 -0.141 0.000 1.097 524 F CA 1.650 59.639 58.000 -0.018 0.000 1.264 524 F CB -0.291 38.755 39.000 0.077 0.000 1.001 524 F HN 0.004 nan 8.300 nan 0.000 0.479 525 L N -0.017 121.289 121.223 0.138 0.000 2.093 525 L HA -0.165 4.169 4.340 -0.009 0.000 0.208 525 L C 2.569 179.460 176.870 0.036 0.000 1.085 525 L CA 1.187 56.062 54.840 0.059 0.000 0.755 525 L CB -0.678 41.408 42.059 0.046 0.000 0.904 525 L HN 0.031 nan 8.230 nan 0.000 0.435 526 R N 0.016 120.493 120.500 -0.038 0.000 2.083 526 R HA -0.155 4.180 4.340 -0.009 0.000 0.237 526 R C 2.363 178.581 176.300 -0.137 0.000 1.137 526 R CA 1.192 57.237 56.100 -0.091 0.000 0.951 526 R CB -0.225 29.996 30.300 -0.132 0.000 0.851 526 R HN 0.218 nan 8.270 nan 0.000 0.434 527 K N 0.031 120.265 120.400 -0.277 0.000 2.025 527 K HA -0.168 4.147 4.320 -0.009 0.000 0.207 527 K C 1.963 178.469 176.600 -0.157 0.000 1.049 527 K CA 1.284 57.416 56.287 -0.259 0.000 0.933 527 K CB -0.706 31.558 32.500 -0.393 0.000 0.714 527 K HN 0.245 nan 8.250 nan 0.000 0.438 528 Y N 2.680 122.789 120.300 -0.318 0.000 2.053 528 Y HA -0.315 4.229 4.550 -0.009 0.000 0.277 528 Y C 1.775 177.648 175.900 -0.045 0.000 1.159 528 Y CA 2.128 60.128 58.100 -0.167 0.000 1.125 528 Y CB -0.712 37.616 38.460 -0.219 0.000 0.969 528 Y HN 0.206 nan 8.280 nan 0.000 0.492 529 N N -1.393 117.291 118.700 -0.026 0.000 2.149 529 N HA -0.251 4.484 4.740 -0.009 0.000 0.188 529 N C 1.911 177.359 175.510 -0.103 0.000 1.019 529 N CA 1.193 54.188 53.050 -0.092 0.000 0.857 529 N CB -0.435 38.070 38.487 0.031 0.000 0.997 529 N HN 0.556 nan 8.380 nan 0.000 0.426 530 H N 0.064 119.017 119.070 -0.195 0.000 2.423 530 H HA -0.025 4.526 4.556 -0.009 0.000 0.297 530 H C 1.815 176.990 175.328 -0.255 0.000 1.075 530 H CA 0.718 56.647 56.048 -0.200 0.000 1.342 530 H CB 0.278 29.935 29.762 -0.175 0.000 1.395 530 H HN 0.017 nan 8.280 nan 0.000 0.530 531 V N 1.524 121.253 119.914 -0.309 0.000 2.261 531 V HA -0.264 3.850 4.120 -0.009 0.000 0.246 531 V C 2.399 178.208 176.094 -0.476 0.000 1.047 531 V CA 1.725 63.742 62.300 -0.471 0.000 1.015 531 V CB -0.359 31.141 31.823 -0.538 0.000 0.642 531 V HN 0.380 nan 8.190 nan 0.000 0.446 532 K N 0.657 120.780 120.400 -0.462 0.000 2.113 532 K HA -0.137 4.178 4.320 -0.009 0.000 0.208 532 K C 2.235 178.666 176.600 -0.280 0.000 1.047 532 K CA 1.714 57.783 56.287 -0.363 0.000 0.928 532 K CB -1.013 31.283 32.500 -0.341 0.000 0.716 532 K HN 0.509 nan 8.250 nan 0.000 0.446 533 A N 1.306 123.986 122.820 -0.234 0.000 1.898 533 A HA -0.079 4.236 4.320 -0.009 0.000 0.216 533 A C 2.364 179.824 177.584 -0.207 0.000 1.181 533 A CA 1.074 52.995 52.037 -0.193 0.000 0.620 533 A CB -0.589 18.359 19.000 -0.087 0.000 0.819 533 A HN 0.188 nan 8.150 nan 0.000 0.442 534 L N -0.776 120.306 121.223 -0.236 0.000 2.083 534 L HA -0.257 4.078 4.340 -0.009 0.000 0.209 534 L C 2.859 179.595 176.870 -0.223 0.000 1.083 534 L CA 1.489 56.178 54.840 -0.250 0.000 0.752 534 L CB -0.606 41.240 42.059 -0.356 0.000 0.899 534 L HN 0.493 nan 8.230 nan 0.000 0.433 535 Q N -0.352 119.298 119.800 -0.251 0.000 2.084 535 Q HA -0.259 4.076 4.340 -0.009 0.000 0.202 535 Q C 2.255 178.202 176.000 -0.089 0.000 0.978 535 Q CA 1.553 57.256 55.803 -0.167 0.000 0.844 535 Q CB -0.139 28.495 28.738 -0.173 0.000 0.898 535 Q HN 0.574 nan 8.270 nan 0.000 0.426 536 Q N 0.349 120.001 119.800 -0.247 0.000 2.119 536 Q HA -0.176 4.158 4.340 -0.009 0.000 0.201 536 Q C 2.100 178.037 176.000 -0.105 0.000 0.972 536 Q CA 1.080 56.630 55.803 -0.421 0.000 0.847 536 Q CB 0.016 28.270 28.738 -0.806 0.000 0.903 536 Q HN 0.413 nan 8.270 nan 0.000 0.433 537 Q N 0.080 119.812 119.800 -0.114 0.000 2.096 537 Q HA -0.163 4.171 4.340 -0.009 0.000 0.204 537 Q C 2.089 178.118 176.000 0.048 0.000 0.982 537 Q CA 1.359 57.136 55.803 -0.043 0.000 0.850 537 Q CB -0.107 28.572 28.738 -0.098 0.000 0.901 537 Q HN 0.478 nan 8.270 nan 0.000 0.422 538 M N -0.596 119.016 119.600 0.020 0.000 2.175 538 M HA -0.135 4.340 4.480 -0.009 0.000 0.264 538 M C 2.000 178.345 176.300 0.075 0.000 1.063 538 M CA 1.185 56.499 55.300 0.024 0.000 1.119 538 M CB -0.310 32.282 32.600 -0.014 0.000 1.377 538 M HN 0.184 nan 8.290 nan 0.000 0.415 539 F N 0.455 120.406 119.950 0.002 0.000 2.102 539 F HA -0.299 4.222 4.527 -0.009 0.000 0.298 539 F C 2.380 178.198 175.800 0.030 0.000 1.105 539 F CA 1.752 59.778 58.000 0.043 0.000 1.239 539 F CB -0.708 38.394 39.000 0.169 0.000 0.991 539 F HN 0.066 nan 8.300 nan 0.000 0.474 540 Y N 0.964 121.300 120.300 0.059 0.000 2.114 540 Y HA -0.280 4.264 4.550 -0.009 0.000 0.282 540 Y C 2.213 178.007 175.900 -0.178 0.000 1.165 540 Y CA 2.277 60.330 58.100 -0.078 0.000 1.148 540 Y CB -0.583 37.867 38.460 -0.017 0.000 0.972 540 Y HN 0.167 nan 8.280 nan 0.000 0.504 541 I N -0.063 120.476 120.570 -0.051 0.000 2.286 541 I HA -0.275 3.889 4.170 -0.009 0.000 0.248 541 I C 1.956 177.895 176.117 -0.298 0.000 1.115 541 I CA 1.837 63.041 61.300 -0.161 0.000 1.392 541 I CB -0.468 37.494 38.000 -0.064 0.000 1.065 541 I HN 0.237 nan 8.210 nan 0.000 0.418 542 D N 0.219 120.443 120.400 -0.293 0.000 2.264 542 D HA -0.162 4.473 4.640 -0.009 0.000 0.208 542 D C 2.071 178.133 176.300 -0.397 0.000 0.966 542 D CA 1.006 54.813 54.000 -0.321 0.000 0.864 542 D CB 0.198 40.846 40.800 -0.254 0.000 0.933 542 D HN 0.215 nan 8.370 nan 0.000 0.499 543 Q N -1.304 118.177 119.800 -0.533 0.000 2.384 543 Q HA 0.099 4.434 4.340 -0.009 0.000 0.207 543 Q C 1.596 177.340 176.000 -0.426 0.000 0.904 543 Q CA 0.901 56.398 55.803 -0.509 0.000 0.933 543 Q CB 0.831 29.172 28.738 -0.661 0.000 1.077 543 Q HN 0.463 nan 8.270 nan 0.000 0.522 544 T N -4.197 110.066 114.554 -0.486 0.000 2.959 544 T HA 0.261 4.606 4.350 -0.009 0.000 0.254 544 T C 0.934 175.466 174.700 -0.279 0.000 1.003 544 T CA -0.240 61.607 62.100 -0.421 0.000 0.950 544 T CB 0.441 68.919 68.868 -0.650 0.000 1.090 544 T HN -0.154 nan 8.240 nan 0.000 0.503 545 S N 2.785 118.317 115.700 -0.281 0.000 2.525 545 S HA 0.541 5.006 4.470 -0.009 0.000 0.290 545 S C 0.140 174.606 174.600 -0.223 0.000 1.152 545 S CA -0.464 57.597 58.200 -0.230 0.000 1.072 545 S CB 0.980 64.016 63.200 -0.273 0.000 1.027 545 S HN 0.547 nan 8.310 nan 0.000 0.500 546 N N 1.908 120.524 118.700 -0.140 0.000 2.738 546 N HA -0.157 4.578 4.740 -0.009 0.000 0.249 546 N C -0.713 174.764 175.510 -0.055 0.000 1.047 546 N CA 0.325 53.336 53.050 -0.064 0.000 0.707 546 N CB -0.745 37.673 38.487 -0.115 0.000 0.937 546 N HN 0.468 nan 8.380 nan 0.000 0.545 547 Q N 0.625 120.384 119.800 -0.067 0.000 3.184 547 Q HA 0.116 4.451 4.340 -0.009 0.000 0.288 547 Q C 0.214 176.186 176.000 -0.046 0.000 1.412 547 Q CA -0.070 55.687 55.803 -0.076 0.000 0.991 547 Q CB -0.844 27.835 28.738 -0.098 0.000 1.688 547 Q HN 0.760 nan 8.270 nan 0.000 0.554 548 N N -1.302 117.388 118.700 -0.015 0.000 2.463 548 N HA 0.262 4.997 4.740 -0.009 0.000 0.270 548 N C -2.102 173.340 175.510 -0.113 0.000 1.205 548 N CA -1.379 51.665 53.050 -0.010 0.000 0.974 548 N CB 0.519 39.062 38.487 0.094 0.000 1.197 548 N HN -0.175 nan 8.380 nan 0.000 0.504 549 P HA -0.007 nan 4.420 nan 0.000 0.230 549 P C -0.235 176.683 177.300 -0.636 0.000 1.158 549 P CA 1.096 63.847 63.100 -0.582 0.000 0.769 549 P CB -0.032 31.085 31.700 -0.972 0.000 0.807 550 Y N -1.401 118.913 120.300 0.024 0.000 2.569 550 Y HA 0.269 4.814 4.550 -0.008 0.000 0.278 550 Y C 0.767 176.687 175.900 0.033 0.000 1.130 550 Y CA 0.163 58.278 58.100 0.026 0.000 1.280 550 Y CB -0.309 38.170 38.460 0.031 0.000 1.379 550 Y HN -0.250 nan 8.280 nan 0.000 0.508 551 Q N 1.319 121.232 119.800 0.189 0.000 3.064 551 Q HA 0.306 4.641 4.340 -0.009 0.000 0.258 551 Q C -2.841 173.215 176.000 0.092 0.000 0.972 551 Q CA -2.112 53.770 55.803 0.131 0.000 0.761 551 Q CB 1.402 30.234 28.738 0.157 0.000 1.281 551 Q HN 0.074 nan 8.270 nan 0.000 0.455 552 P HA 0.384 nan 4.420 nan 0.000 0.272 552 P C 0.466 177.734 177.300 -0.053 0.000 1.230 552 P CA 0.632 63.720 63.100 -0.021 0.000 0.788 552 P CB 1.155 32.815 31.700 -0.068 0.000 0.949 553 G N -0.528 108.201 108.800 -0.118 0.000 2.582 553 G HA2 0.006 3.961 3.960 -0.009 0.000 0.222 553 G HA3 0.006 3.961 3.960 -0.009 0.000 0.222 553 G C -1.606 173.131 174.900 -0.270 0.000 1.311 553 G CA -0.411 44.568 45.100 -0.201 0.000 0.915 553 G HN 0.542 nan 8.290 nan 0.000 0.528 554 V N 1.715 121.428 119.914 -0.335 0.000 2.509 554 V HA 0.538 4.652 4.120 -0.009 0.000 0.289 554 V C -0.565 175.357 176.094 -0.287 0.000 1.026 554 V CA -1.037 60.918 62.300 -0.574 0.000 0.872 554 V CB 1.601 32.920 31.823 -0.839 0.000 1.017 554 V HN 0.773 nan 8.190 nan 0.000 0.436 555 K N 2.017 122.337 120.400 -0.134 0.000 2.156 555 K HA 0.866 5.180 4.320 -0.009 0.000 0.254 555 K C -0.330 176.287 176.600 0.028 0.000 0.950 555 K CA -0.580 55.631 56.287 -0.126 0.000 0.849 555 K CB 2.480 34.763 32.500 -0.361 0.000 1.100 555 K HN 0.639 nan 8.250 nan 0.000 0.434 556 T N -1.118 113.475 114.554 0.066 0.000 2.885 556 T HA 0.460 4.805 4.350 -0.009 0.000 0.322 556 T C -1.158 173.633 174.700 0.152 0.000 1.387 556 T CA 0.261 62.469 62.100 0.181 0.000 1.041 556 T CB 0.848 69.926 68.868 0.351 0.000 1.287 556 T HN 0.711 nan 8.240 nan 0.000 0.491 557 A N 1.700 124.639 122.820 0.197 0.000 2.640 557 A HA -0.162 4.153 4.320 -0.009 0.000 0.300 557 A C 1.259 178.912 177.584 0.115 0.000 1.499 557 A CA 2.105 54.243 52.037 0.168 0.000 0.759 557 A CB -2.652 16.402 19.000 0.090 0.000 1.048 557 A HN 1.655 nan 8.150 nan 0.000 0.450 558 T N -2.999 111.641 114.554 0.143 0.000 3.054 558 T HA 0.084 4.428 4.350 -0.009 0.000 0.259 558 T C 1.608 176.390 174.700 0.136 0.000 1.092 558 T CA 1.093 63.277 62.100 0.140 0.000 1.121 558 T CB -0.009 68.989 68.868 0.217 0.000 0.912 558 T HN 0.683 nan 8.240 nan 0.000 0.489 559 R N 0.319 120.903 120.500 0.140 0.000 2.080 559 R HA 0.150 4.484 4.340 -0.009 0.000 0.222 559 R C 1.616 177.975 176.300 0.099 0.000 1.107 559 R CA 1.033 57.204 56.100 0.118 0.000 0.980 559 R CB 0.114 30.484 30.300 0.117 0.000 0.879 559 R HN 0.349 nan 8.270 nan 0.000 0.439 560 V N -0.595 119.376 119.914 0.096 0.000 3.058 560 V HA 0.054 4.169 4.120 -0.009 0.000 0.233 560 V C 1.900 178.031 176.094 0.062 0.000 1.255 560 V CA 0.257 62.605 62.300 0.079 0.000 1.267 560 V CB 0.133 32.004 31.823 0.080 0.000 1.049 560 V HN 0.148 nan 8.190 nan 0.000 0.486 561 I N 0.487 121.083 120.570 0.043 0.000 2.193 561 I HA -0.161 4.004 4.170 -0.009 0.000 0.240 561 I C 2.530 178.657 176.117 0.016 0.000 1.084 561 I CA 1.524 62.837 61.300 0.022 0.000 1.365 561 I CB -0.226 37.748 38.000 -0.043 0.000 1.064 561 I HN 0.228 nan 8.210 nan 0.000 0.410 562 K N 1.359 121.762 120.400 0.005 0.000 2.032 562 K HA -0.143 4.172 4.320 -0.009 0.000 0.209 562 K C -0.720 175.890 176.600 0.016 0.000 1.048 562 K CA 1.863 58.142 56.287 -0.015 0.000 0.927 562 K CB -1.427 31.073 32.500 -0.000 0.000 0.712 562 K HN 0.103 nan 8.250 nan 0.000 0.441 563 P HA -0.151 nan 4.420 nan 0.000 0.215 563 P C 1.317 178.667 177.300 0.084 0.000 1.153 563 P CA 1.028 64.168 63.100 0.067 0.000 0.853 563 P CB -0.036 31.709 31.700 0.075 0.000 0.788 564 L N -0.850 120.426 121.223 0.088 0.000 2.017 564 L HA -0.146 4.189 4.340 -0.009 0.000 0.208 564 L C 2.205 179.150 176.870 0.124 0.000 1.073 564 L CA 1.839 56.753 54.840 0.123 0.000 0.745 564 L CB -1.080 41.050 42.059 0.119 0.000 0.894 564 L HN -0.145 nan 8.230 nan 0.000 0.432 565 I N -0.284 120.322 120.570 0.061 0.000 2.142 565 I HA -0.281 3.884 4.170 -0.009 0.000 0.240 565 I C 2.102 178.260 176.117 0.069 0.000 1.078 565 I CA 1.454 62.758 61.300 0.006 0.000 1.343 565 I CB -0.714 37.196 38.000 -0.150 0.000 1.046 565 I HN 0.286 nan 8.210 nan 0.000 0.405 566 D N 0.817 121.252 120.400 0.057 0.000 2.104 566 D HA -0.160 4.475 4.640 -0.009 0.000 0.194 566 D C 2.375 178.790 176.300 0.192 0.000 0.994 566 D CA 1.336 55.403 54.000 0.110 0.000 0.830 566 D CB -0.240 40.603 40.800 0.072 0.000 0.959 566 D HN 0.287 nan 8.370 nan 0.000 0.452 567 R N -0.155 120.439 120.500 0.156 0.000 2.090 567 R HA 0.004 4.338 4.340 -0.009 0.000 0.228 567 R C 2.308 178.725 176.300 0.194 0.000 1.110 567 R CA 1.188 57.380 56.100 0.152 0.000 0.973 567 R CB -0.325 30.054 30.300 0.132 0.000 0.869 567 R HN 0.117 nan 8.270 nan 0.000 0.440 568 T N 1.076 115.778 114.554 0.247 0.000 2.746 568 T HA -0.171 4.174 4.350 -0.009 0.000 0.267 568 T C 1.361 176.256 174.700 0.325 0.000 1.039 568 T CA 1.310 63.606 62.100 0.327 0.000 1.142 568 T CB -0.306 68.743 68.868 0.302 0.000 0.866 568 T HN 0.164 nan 8.240 nan 0.000 0.444 569 F N 2.188 122.211 119.950 0.122 0.000 2.134 569 F HA 0.001 4.523 4.527 -0.009 0.000 0.299 569 F C 2.443 178.307 175.800 0.107 0.000 1.097 569 F CA 0.959 59.017 58.000 0.095 0.000 1.264 569 F CB -0.671 38.341 39.000 0.020 0.000 1.001 569 F HN 0.139 nan 8.300 nan 0.000 0.479 570 A N -0.604 122.266 122.820 0.084 0.000 1.902 570 A HA -0.174 4.141 4.320 -0.009 0.000 0.217 570 A C 2.195 179.688 177.584 -0.151 0.000 1.181 570 A CA 2.315 54.326 52.037 -0.043 0.000 0.623 570 A CB -1.403 17.624 19.000 0.045 0.000 0.818 570 A HN 0.445 nan 8.150 nan 0.000 0.443 571 T N -1.018 113.461 114.554 -0.124 0.000 2.737 571 T HA -0.099 4.245 4.350 -0.009 0.000 0.265 571 T C 1.840 176.230 174.700 -0.515 0.000 1.038 571 T CA 1.435 63.306 62.100 -0.382 0.000 1.144 571 T CB -0.459 68.257 68.868 -0.252 0.000 0.866 571 T HN 0.149 nan 8.240 nan 0.000 0.434 572 V N 1.299 121.206 119.914 -0.011 0.000 2.626 572 V HA -0.096 4.019 4.120 -0.009 0.000 0.252 572 V C 2.417 178.669 176.094 0.264 0.000 1.067 572 V CA 1.165 63.627 62.300 0.270 0.000 1.081 572 V CB -0.341 31.836 31.823 0.589 0.000 0.686 572 V HN 0.310 nan 8.190 nan 0.000 0.468 573 V N 0.136 120.071 119.914 0.035 0.000 2.307 573 V HA -0.262 3.853 4.120 -0.009 0.000 0.245 573 V C 2.401 178.519 176.094 0.040 0.000 1.045 573 V CA 2.467 64.790 62.300 0.039 0.000 1.024 573 V CB -0.708 30.967 31.823 -0.247 0.000 0.651 573 V HN 0.605 nan 8.190 nan 0.000 0.449 574 K N -0.318 120.017 120.400 -0.109 0.000 2.044 574 K HA -0.229 4.086 4.320 -0.009 0.000 0.210 574 K C 2.076 178.695 176.600 0.033 0.000 1.049 574 K CA 2.077 58.299 56.287 -0.107 0.000 0.927 574 K CB -0.276 32.066 32.500 -0.263 0.000 0.713 574 K HN 0.351 nan 8.250 nan 0.000 0.443 575 F N 0.146 120.090 119.950 -0.010 0.000 2.234 575 F HA -0.080 4.442 4.527 -0.009 0.000 0.299 575 F C 2.143 177.908 175.800 -0.059 0.000 1.087 575 F CA 0.499 58.466 58.000 -0.055 0.000 1.340 575 F CB -1.002 37.955 39.000 -0.072 0.000 1.031 575 F HN 0.063 nan 8.300 nan 0.000 0.500 576 F N 1.328 121.296 119.950 0.031 0.000 2.146 576 F HA -0.184 4.338 4.527 -0.009 0.000 0.298 576 F C 2.142 177.909 175.800 -0.055 0.000 1.096 576 F CA 1.444 59.375 58.000 -0.116 0.000 1.275 576 F CB -0.434 38.299 39.000 -0.446 0.000 1.008 576 F HN -0.162 nan 8.300 nan 0.000 0.480 577 N N 0.470 119.246 118.700 0.127 0.000 2.166 577 N HA -0.176 4.558 4.740 -0.009 0.000 0.186 577 N C 1.746 177.177 175.510 -0.131 0.000 1.019 577 N CA 1.547 54.585 53.050 -0.020 0.000 0.856 577 N CB -0.536 37.941 38.487 -0.017 0.000 0.993 577 N HN 0.515 nan 8.380 nan 0.000 0.426 578 Q N 0.468 120.217 119.800 -0.085 0.000 2.046 578 Q HA -0.061 4.274 4.340 -0.009 0.000 0.200 578 Q C 1.976 177.837 176.000 -0.232 0.000 0.975 578 Q CA 1.075 56.809 55.803 -0.115 0.000 0.836 578 Q CB -0.053 28.662 28.738 -0.038 0.000 0.896 578 Q HN 0.334 nan 8.270 nan 0.000 0.428 579 K N 0.104 120.291 120.400 -0.355 0.000 2.025 579 K HA -0.100 4.215 4.320 -0.009 0.000 0.207 579 K C 1.007 177.140 176.600 -0.779 0.000 1.049 579 K CA 1.134 57.039 56.287 -0.637 0.000 0.933 579 K CB 0.138 32.102 32.500 -0.893 0.000 0.714 579 K HN 0.075 nan 8.250 nan 0.000 0.438 580 F N 0.680 120.331 119.950 -0.498 0.000 2.653 580 F HA 0.226 4.748 4.527 -0.009 0.000 0.304 580 F C 0.430 176.025 175.800 -0.342 0.000 1.092 580 F CA -0.341 57.355 58.000 -0.507 0.000 1.279 580 F CB 0.103 38.557 39.000 -0.910 0.000 1.044 580 F HN 0.097 nan 8.300 nan 0.000 0.564 581 N N 0.951 119.544 118.700 -0.177 0.000 2.721 581 N HA -0.196 4.538 4.740 -0.009 0.000 0.249 581 N C -0.086 175.280 175.510 -0.240 0.000 1.072 581 N CA 0.636 53.580 53.050 -0.176 0.000 0.710 581 N CB -0.748 37.686 38.487 -0.088 0.000 0.993 581 N HN 0.324 nan 8.380 nan 0.000 0.547 582 A N -0.472 122.203 122.820 -0.241 0.000 2.248 582 A HA 0.629 4.944 4.320 -0.009 0.000 0.316 582 A C 0.066 177.390 177.584 -0.433 0.000 1.101 582 A CA -0.179 51.762 52.037 -0.161 0.000 0.875 582 A CB 0.470 19.547 19.000 0.128 0.000 1.207 582 A HN 0.514 nan 8.150 nan 0.000 0.504 583 H N -0.408 118.711 119.070 0.082 0.000 2.674 583 H HA 0.343 4.894 4.556 -0.009 0.000 0.235 583 H C -0.906 174.457 175.328 0.058 0.000 1.330 583 H CA -0.318 55.768 56.048 0.063 0.000 1.052 583 H CB -0.005 29.788 29.762 0.051 0.000 1.954 583 H HN 0.386 nan 8.280 nan 0.000 0.566 584 L N 0.821 122.093 121.223 0.080 0.000 2.456 584 L HA 0.054 4.389 4.340 -0.009 0.000 0.272 584 L C 0.607 177.550 176.870 0.120 0.000 1.189 584 L CA -0.126 54.718 54.840 0.007 0.000 0.846 584 L CB 0.453 42.301 42.059 -0.351 0.000 1.111 584 L HN 0.364 nan 8.230 nan 0.000 0.475 585 D N 1.856 122.395 120.400 0.232 0.000 2.425 585 D HA 0.178 4.813 4.640 -0.009 0.000 0.247 585 D C 0.441 176.910 176.300 0.280 0.000 1.147 585 D CA 0.153 54.294 54.000 0.236 0.000 0.879 585 D CB 1.662 42.603 40.800 0.235 0.000 1.179 585 D HN 0.581 nan 8.370 nan 0.000 0.456 586 A N 3.166 126.092 122.820 0.177 0.000 2.348 586 A HA 0.145 4.460 4.320 -0.009 0.000 0.224 586 A C 0.908 178.644 177.584 0.254 0.000 1.227 586 A CA -0.184 51.931 52.037 0.130 0.000 0.885 586 A CB -0.212 18.803 19.000 0.025 0.000 0.933 586 A HN 0.552 nan 8.150 nan 0.000 0.506 587 T N 1.365 116.056 114.554 0.229 0.000 2.933 587 T HA 0.194 4.539 4.350 -0.009 0.000 0.306 587 T C 1.604 176.439 174.700 0.225 0.000 1.045 587 T CA 1.066 63.271 62.100 0.175 0.000 1.143 587 T CB 0.977 69.900 68.868 0.092 0.000 1.003 587 T HN 0.555 nan 8.240 nan 0.000 0.540 588 T N -1.288 113.352 114.554 0.143 0.000 3.023 588 T HA 0.128 4.472 4.350 -0.009 0.000 0.249 588 T C 0.152 174.838 174.700 -0.022 0.000 1.050 588 T CA -0.043 62.097 62.100 0.067 0.000 1.088 588 T CB 0.368 69.293 68.868 0.094 0.000 0.946 588 T HN 0.434 nan 8.240 nan 0.000 0.480 589 D N 1.005 121.412 120.400 0.012 0.000 2.375 589 D HA 0.300 4.935 4.640 -0.009 0.000 0.247 589 D C -1.294 175.012 176.300 0.011 0.000 1.061 589 D CA -0.639 53.376 54.000 0.025 0.000 0.834 589 D CB 1.517 42.346 40.800 0.049 0.000 1.247 589 D HN 0.282 nan 8.370 nan 0.000 0.489 590 Y N 2.407 122.646 120.300 -0.102 0.000 2.497 590 Y HA 0.255 4.799 4.550 -0.009 0.000 0.334 590 Y C -0.414 175.262 175.900 -0.374 0.000 1.199 590 Y CA -0.066 57.892 58.100 -0.236 0.000 1.425 590 Y CB 0.616 38.902 38.460 -0.289 0.000 1.291 590 Y HN 0.277 nan 8.280 nan 0.000 0.562 591 M N 10.068 128.885 119.600 -1.305 0.000 2.213 591 M HA 0.333 4.808 4.480 -0.009 0.000 0.243 591 M C -2.470 173.180 176.300 -1.085 0.000 0.979 591 M CA -2.174 52.532 55.300 -0.990 0.000 1.037 591 M CB 1.441 33.807 32.600 -0.391 0.000 2.200 591 M HN 0.368 nan 8.290 nan 0.000 0.465 592 P HA 0.006 nan 4.420 nan 0.000 0.226 592 P C -0.319 176.704 177.300 -0.461 0.000 1.153 592 P CA 1.098 63.740 63.100 -0.762 0.000 0.777 592 P CB -0.033 31.318 31.700 -0.582 0.000 0.794 593 H N 0.214 119.161 119.070 -0.205 0.000 2.544 593 H HA 0.521 5.072 4.556 -0.009 0.000 0.342 593 H C 0.335 175.595 175.328 -0.114 0.000 1.185 593 H CA -0.287 55.693 56.048 -0.114 0.000 1.264 593 H CB 1.308 31.031 29.762 -0.066 0.000 1.607 593 H HN -0.058 nan 8.280 nan 0.000 0.550 594 K N 0.642 121.077 120.400 0.058 0.000 2.395 594 K HA 0.494 4.809 4.320 -0.009 0.000 0.247 594 K C -0.355 176.261 176.600 0.027 0.000 0.973 594 K CA -0.774 55.523 56.287 0.017 0.000 0.828 594 K CB 2.896 35.403 32.500 0.012 0.000 1.272 594 K HN 0.302 nan 8.250 nan 0.000 0.439 606 P HA 0.288 nan 4.420 nan 0.000 0.271 606 P C -0.345 176.967 177.300 0.020 0.000 1.216 606 P CA -0.247 62.864 63.100 0.017 0.000 0.776 606 P CB 0.760 32.477 31.700 0.027 0.000 0.881 607 L N 2.455 123.689 121.223 0.018 0.000 2.426 607 L HA 0.130 4.465 4.340 -0.009 0.000 0.271 607 L C 0.834 177.739 176.870 0.058 0.000 1.169 607 L CA 0.238 55.101 54.840 0.038 0.000 0.836 607 L CB 0.164 42.250 42.059 0.046 0.000 1.112 607 L HN 0.428 nan 8.230 nan 0.000 0.465 608 Q N 1.512 121.356 119.800 0.073 0.000 2.351 608 Q HA 0.606 4.941 4.340 -0.009 0.000 0.273 608 Q C -1.360 174.705 176.000 0.109 0.000 1.077 608 Q CA -0.785 55.071 55.803 0.088 0.000 0.843 608 Q CB 3.122 31.900 28.738 0.065 0.000 1.367 608 Q HN 0.318 nan 8.270 nan 0.000 0.449 609 V N 2.369 122.356 119.914 0.121 0.000 2.409 609 V HA 0.385 4.500 4.120 -0.009 0.000 0.290 609 V C -0.943 175.161 176.094 0.016 0.000 1.017 609 V CA -0.737 61.629 62.300 0.110 0.000 0.841 609 V CB 1.465 33.424 31.823 0.228 0.000 1.003 609 V HN 0.539 nan 8.190 nan 0.000 0.426 610 K N 3.805 124.200 120.400 -0.009 0.000 2.535 610 K HA 0.805 5.119 4.320 -0.009 0.000 0.253 610 K C 0.522 177.084 176.600 -0.063 0.000 0.953 610 K CA 0.298 56.559 56.287 -0.044 0.000 0.863 610 K CB 1.624 34.109 32.500 -0.026 0.000 1.111 610 K HN 0.906 nan 8.250 nan 0.000 0.431 611 A N 3.478 126.244 122.820 -0.089 0.000 5.395 611 A HA -0.342 3.973 4.320 -0.009 0.000 0.324 611 A C 0.658 178.193 177.584 -0.082 0.000 1.813 611 A CA 1.759 53.740 52.037 -0.092 0.000 0.714 611 A CB -1.402 17.544 19.000 -0.090 0.000 1.374 611 A HN 0.868 nan 8.150 nan 0.000 0.390 612 N N 1.270 119.920 118.700 -0.082 0.000 2.327 612 N HA 0.198 4.933 4.740 -0.009 0.000 0.231 612 N C 0.071 175.524 175.510 -0.095 0.000 1.130 612 N CA 0.362 53.354 53.050 -0.097 0.000 0.845 612 N CB -0.130 38.305 38.487 -0.087 0.000 1.073 612 N HN 0.660 nan 8.380 nan 0.000 0.496 613 R N -0.229 120.228 120.500 -0.073 0.000 2.532 613 R HA 0.582 4.917 4.340 -0.009 0.000 0.295 613 R C -0.915 175.360 176.300 -0.042 0.000 0.968 613 R CA -0.782 55.282 56.100 -0.060 0.000 0.916 613 R CB 2.267 32.541 30.300 -0.044 0.000 1.124 613 R HN -0.105 nan 8.270 nan 0.000 0.463 614 V N 5.179 125.065 119.914 -0.046 0.000 2.444 614 V HA 0.435 4.549 4.120 -0.009 0.000 0.294 614 V C -0.711 175.403 176.094 0.033 0.000 1.022 614 V CA -0.766 61.525 62.300 -0.016 0.000 0.850 614 V CB 1.311 33.061 31.823 -0.121 0.000 0.992 614 V HN 0.565 nan 8.190 nan 0.000 0.426 615 L N 3.590 124.852 121.223 0.065 0.000 2.393 615 L HA 0.773 5.107 4.340 -0.009 0.000 0.260 615 L C -0.754 176.173 176.870 0.096 0.000 1.002 615 L CA -0.703 54.195 54.840 0.096 0.000 0.818 615 L CB 2.082 44.178 42.059 0.063 0.000 1.369 615 L HN 0.371 nan 8.230 nan 0.000 0.412 616 I N 1.773 122.416 120.570 0.121 0.000 2.352 616 I HA 0.215 4.379 4.170 -0.009 0.000 0.290 616 I C 0.314 176.463 176.117 0.054 0.000 1.036 616 I CA -0.311 61.018 61.300 0.048 0.000 1.336 616 I CB 1.487 39.461 38.000 -0.043 0.000 1.407 616 I HN 0.753 nan 8.210 nan 0.000 0.497 617 S N 7.866 123.590 115.700 0.039 0.000 2.626 617 S HA 0.022 4.487 4.470 -0.009 0.000 0.303 617 S C -1.900 172.724 174.600 0.040 0.000 1.256 617 S CA -0.813 57.411 58.200 0.041 0.000 1.069 617 S CB -0.271 62.951 63.200 0.037 0.000 0.807 617 S HN 0.432 nan 8.310 nan 0.000 0.500 633 I N 3.405 124.055 120.570 0.134 0.000 2.377 633 I HA 0.306 4.471 4.170 -0.009 0.000 0.293 633 I C -0.053 176.103 176.117 0.066 0.000 0.987 633 I CA -0.438 60.915 61.300 0.088 0.000 1.185 633 I CB 1.624 39.678 38.000 0.090 0.000 1.341 633 I HN 0.432 nan 8.210 nan 0.000 0.455 634 E N 7.465 127.653 120.200 -0.019 0.000 2.165 634 E HA 0.506 4.851 4.350 -0.009 0.000 0.266 634 E C -1.329 175.160 176.600 -0.185 0.000 0.889 634 E CA -0.635 55.611 56.400 -0.257 0.000 0.756 634 E CB 1.287 30.830 29.700 -0.261 0.000 1.131 634 E HN 0.511 nan 8.360 nan 0.000 0.411 635 L N 3.014 124.097 121.223 -0.233 0.000 2.454 635 L HA 0.206 4.541 4.340 -0.009 0.000 0.256 635 L C 1.352 178.279 176.870 0.096 0.000 1.136 635 L CA -0.617 54.188 54.840 -0.058 0.000 0.804 635 L CB 0.619 42.621 42.059 -0.096 0.000 1.181 635 L HN 0.709 nan 8.230 nan 0.000 0.469 636 D N -0.487 120.148 120.400 0.393 0.000 2.363 636 D HA 0.115 4.749 4.640 -0.009 0.000 0.220 636 D C 0.220 176.574 176.300 0.090 0.000 0.994 636 D CA 0.601 54.716 54.000 0.193 0.000 0.890 636 D CB 0.399 41.295 40.800 0.160 0.000 0.906 636 D HN 0.497 nan 8.370 nan 0.000 0.530 637 A N -0.581 122.278 122.820 0.066 0.000 2.536 637 A HA 0.574 4.889 4.320 -0.009 0.000 0.293 637 A C -1.434 175.987 177.584 -0.272 0.000 1.119 637 A CA -0.889 51.052 52.037 -0.161 0.000 0.654 637 A CB 0.449 19.267 19.000 -0.305 0.000 1.291 637 A HN 0.069 nan 8.150 nan 0.000 0.439 638 I N 1.048 121.418 120.570 -0.333 0.000 2.342 638 I HA 0.438 4.603 4.170 -0.009 0.000 0.291 638 I C -1.125 174.741 176.117 -0.419 0.000 1.010 638 I CA -0.011 61.153 61.300 -0.228 0.000 1.308 638 I CB 0.628 38.565 38.000 -0.104 0.000 1.400 638 I HN 0.565 nan 8.210 nan 0.000 0.488 639 Y N 6.300 126.597 120.300 -0.005 0.000 2.562 639 Y HA 0.449 4.994 4.550 -0.008 0.000 0.343 639 Y C -2.322 173.578 175.900 0.000 0.000 1.025 639 Y CA -2.937 55.162 58.100 -0.001 0.000 1.082 639 Y CB 1.170 39.624 38.460 -0.010 0.000 1.264 639 Y HN 0.380 nan 8.280 nan 0.000 0.478 640 P HA 0.125 nan 4.420 nan 0.000 0.271 640 P C 0.006 177.359 177.300 0.089 0.000 1.226 640 P CA -0.061 63.098 63.100 0.097 0.000 0.765 640 P CB 0.540 32.284 31.700 0.072 0.000 0.835 641 G N 2.125 110.962 108.800 0.061 0.000 2.507 641 G HA2 0.210 4.165 3.960 -0.009 0.000 0.271 641 G HA3 0.210 4.165 3.960 -0.009 0.000 0.271 641 G C 0.383 175.292 174.900 0.015 0.000 1.189 641 G CA -0.047 45.073 45.100 0.035 0.000 0.859 641 G HN 0.401 nan 8.290 nan 0.000 0.542 642 E N -0.479 119.718 120.200 -0.005 0.000 2.419 642 E HA 0.154 4.499 4.350 -0.009 0.000 0.197 642 E C 0.426 177.014 176.600 -0.021 0.000 0.920 642 E CA 0.509 56.901 56.400 -0.013 0.000 1.085 642 E CB 0.503 30.190 29.700 -0.022 0.000 1.084 642 E HN 0.737 nan 8.360 nan 0.000 0.490 643 N N -1.131 117.548 118.700 -0.035 0.000 2.961 643 N HA 0.343 5.077 4.740 -0.009 0.000 0.245 643 N C -1.633 173.833 175.510 -0.074 0.000 1.404 643 N CA -0.590 52.431 53.050 -0.048 0.000 0.880 643 N CB 1.023 39.480 38.487 -0.051 0.000 1.461 643 N HN -0.045 nan 8.380 nan 0.000 0.510 644 I N 0.507 121.018 120.570 -0.097 0.000 2.439 644 I HA 0.288 4.452 4.170 -0.009 0.000 0.283 644 I C -0.784 175.205 176.117 -0.213 0.000 1.023 644 I CA -0.525 60.675 61.300 -0.168 0.000 1.100 644 I CB 1.655 39.553 38.000 -0.171 0.000 1.238 644 I HN 0.405 nan 8.210 nan 0.000 0.445 645 Q N 6.543 126.199 119.800 -0.240 0.000 2.271 645 Q HA 0.723 5.058 4.340 -0.009 0.000 0.258 645 Q C -0.985 174.804 176.000 -0.351 0.000 0.936 645 Q CA -0.529 55.132 55.803 -0.237 0.000 0.909 645 Q CB 2.944 31.587 28.738 -0.159 0.000 1.253 645 Q HN 0.549 nan 8.270 nan 0.000 0.440 646 I N 1.975 122.320 120.570 -0.376 0.000 2.619 646 I HA 0.354 4.519 4.170 -0.009 0.000 0.292 646 I C -0.905 174.908 176.117 -0.506 0.000 1.100 646 I CA -0.739 60.246 61.300 -0.526 0.000 1.043 646 I CB 2.157 39.696 38.000 -0.767 0.000 1.239 646 I HN 0.510 nan 8.210 nan 0.000 0.420 647 N N 4.997 123.412 118.700 -0.475 0.000 2.352 647 N HA 0.517 5.252 4.740 -0.009 0.000 0.291 647 N C -1.465 173.875 175.510 -0.283 0.000 1.040 647 N CA -0.279 52.563 53.050 -0.347 0.000 0.864 647 N CB 1.952 40.349 38.487 -0.150 0.000 1.440 647 N HN 0.198 nan 8.380 nan 0.000 0.483 681 S N 0.849 116.494 115.700 -0.091 0.000 2.597 681 S HA 0.994 5.458 4.470 -0.009 0.000 0.274 681 S C -1.706 172.862 174.600 -0.054 0.000 1.132 681 S CA -0.151 57.994 58.200 -0.091 0.000 0.835 681 S CB 1.748 64.897 63.200 -0.086 0.000 1.092 681 S HN 1.620 nan 8.310 nan 0.000 0.457 682 A N 0.839 123.627 122.820 -0.054 0.000 2.398 682 A HA 0.888 5.203 4.320 -0.009 0.000 0.301 682 A C 0.307 177.873 177.584 -0.031 0.000 1.041 682 A CA -0.332 51.687 52.037 -0.029 0.000 0.711 682 A CB 1.118 20.112 19.000 -0.011 0.000 1.240 682 A HN 1.811 nan 8.150 nan 0.000 0.420 683 G N 0.294 109.082 108.800 -0.020 0.000 2.442 683 G HA2 0.476 4.431 3.960 -0.009 0.000 0.249 683 G HA3 0.476 4.431 3.960 -0.009 0.000 0.249 683 G C 0.352 175.247 174.900 -0.008 0.000 1.263 683 G CA -0.379 44.711 45.100 -0.016 0.000 0.846 683 G HN 0.708 nan 8.290 nan 0.000 0.555 684 L N 0.220 121.439 121.223 -0.006 0.000 2.672 684 L HA 0.183 4.518 4.340 -0.009 0.000 0.236 684 L C 1.094 177.970 176.870 0.009 0.000 1.092 684 L CA 0.026 54.869 54.840 0.004 0.000 0.887 684 L CB 0.034 42.097 42.059 0.006 0.000 1.168 684 L HN 0.632 nan 8.230 nan 0.000 0.502 685 Q N 1.052 120.855 119.800 0.005 0.000 2.463 685 Q HA -0.229 4.105 4.340 -0.009 0.000 0.299 685 Q C -0.109 175.898 176.000 0.012 0.000 1.353 685 Q CA 0.306 56.113 55.803 0.007 0.000 0.828 685 Q CB -0.802 27.940 28.738 0.006 0.000 1.157 685 Q HN 0.228 nan 8.270 nan 0.000 0.436 686 K N -4.535 115.874 120.400 0.015 0.000 3.407 686 K HA -0.233 4.082 4.320 -0.009 0.000 0.312 686 K C 0.097 176.714 176.600 0.028 0.000 1.302 686 K CA 1.197 57.498 56.287 0.023 0.000 0.931 686 K CB -2.120 30.392 32.500 0.020 0.000 1.257 686 K HN 0.661 nan 8.250 nan 0.000 0.454 687 A N 1.814 124.650 122.820 0.027 0.000 2.540 687 A HA 0.314 4.629 4.320 -0.009 0.000 0.239 687 A C -1.989 175.620 177.584 0.042 0.000 1.061 687 A CA -0.545 51.511 52.037 0.031 0.000 0.758 687 A CB -0.091 18.927 19.000 0.030 0.000 0.991 687 A HN -0.063 nan 8.150 nan 0.000 0.502 688 P HA 0.268 nan 4.420 nan 0.000 0.268 688 P C -0.673 176.666 177.300 0.064 0.000 1.204 688 P CA 0.153 63.282 63.100 0.048 0.000 0.768 688 P CB 0.896 32.616 31.700 0.034 0.000 0.842 689 V N 3.985 123.946 119.914 0.078 0.000 2.733 689 V HA 0.366 4.481 4.120 -0.009 0.000 0.306 689 V C 0.330 176.476 176.094 0.086 0.000 1.084 689 V CA -0.326 62.029 62.300 0.092 0.000 0.905 689 V CB 1.883 33.756 31.823 0.084 0.000 1.010 689 V HN 0.568 nan 8.190 nan 0.000 0.424 690 K N 4.399 124.842 120.400 0.072 0.000 2.424 690 K HA 0.401 4.716 4.320 -0.009 0.000 0.200 690 K C -0.455 176.003 176.600 -0.235 0.000 1.279 690 K CA 0.037 56.275 56.287 -0.081 0.000 0.918 690 K CB 0.495 32.920 32.500 -0.125 0.000 1.287 690 K HN 0.509 nan 8.250 nan 0.000 0.502 691 F N 1.752 121.738 119.950 0.060 0.000 2.436 691 F HA 0.399 4.920 4.527 -0.009 0.000 0.340 691 F C -0.559 175.287 175.800 0.077 0.000 1.113 691 F CA -1.027 57.012 58.000 0.064 0.000 1.022 691 F CB 2.049 41.081 39.000 0.055 0.000 1.128 691 F HN -0.335 nan 8.300 nan 0.000 0.466 692 V N 4.130 124.195 119.914 0.252 0.000 2.409 692 V HA 0.567 4.682 4.120 -0.009 0.000 0.291 692 V C -0.391 175.872 176.094 0.282 0.000 1.020 692 V CA -0.821 61.623 62.300 0.241 0.000 0.848 692 V CB 1.643 33.602 31.823 0.227 0.000 0.990 692 V HN 0.743 nan 8.190 nan 0.000 0.430 693 R N 3.118 123.778 120.500 0.268 0.000 2.750 693 R HA 0.742 5.077 4.340 -0.009 0.000 0.281 693 R C -1.798 174.700 176.300 0.331 0.000 0.972 693 R CA -0.451 55.805 56.100 0.260 0.000 0.912 693 R CB 2.110 32.506 30.300 0.160 0.000 1.187 693 R HN 0.589 nan 8.270 nan 0.000 0.464 709 F N 1.936 121.831 119.950 -0.091 0.000 3.228 709 F HA 0.513 5.034 4.527 -0.009 0.000 0.385 709 F C -2.029 173.730 175.800 -0.068 0.000 1.247 709 F CA -0.366 57.571 58.000 -0.105 0.000 1.211 709 F CB 1.383 40.337 39.000 -0.077 0.000 1.719 709 F HN 0.445 nan 8.300 nan 0.000 0.630 710 V N 5.923 125.766 119.914 -0.119 0.000 2.531 710 V HA 0.431 4.546 4.120 -0.009 0.000 0.301 710 V C -0.721 175.308 176.094 -0.107 0.000 1.034 710 V CA -0.825 61.448 62.300 -0.045 0.000 0.865 710 V CB 1.782 33.572 31.823 -0.054 0.000 0.995 710 V HN 0.562 nan 8.190 nan 0.000 0.424 711 L N 4.568 125.765 121.223 -0.043 0.000 2.264 711 L HA 0.660 4.995 4.340 -0.009 0.000 0.289 711 L C 0.236 177.064 176.870 -0.071 0.000 1.044 711 L CA 0.762 55.565 54.840 -0.062 0.000 0.807 711 L CB 1.546 43.587 42.059 -0.029 0.000 1.192 711 L HN 0.735 nan 8.230 nan 0.000 0.425 712 T N 6.995 121.505 114.554 -0.072 0.000 2.749 712 T HA 0.570 4.915 4.350 -0.009 0.000 0.287 712 T C -0.031 174.629 174.700 -0.067 0.000 0.970 712 T CA -0.225 61.832 62.100 -0.072 0.000 0.980 712 T CB 0.437 69.268 68.868 -0.062 0.000 0.924 712 T HN 0.579 nan 8.240 nan 0.000 0.456 713 I N -0.146 120.370 120.570 -0.090 0.000 2.982 713 I HA 0.642 4.807 4.170 -0.009 0.000 0.312 713 I C 0.117 176.203 176.117 -0.052 0.000 1.041 713 I CA -1.272 59.983 61.300 -0.076 0.000 1.053 713 I CB 1.550 39.446 38.000 -0.173 0.000 1.248 713 I HN 0.417 nan 8.210 nan 0.000 0.471 714 E N 3.646 123.848 120.200 0.004 0.000 2.180 714 E HA 0.278 4.622 4.350 -0.009 0.000 0.283 714 E C -1.008 175.613 176.600 0.034 0.000 1.061 714 E CA -0.203 56.209 56.400 0.022 0.000 0.861 714 E CB 0.782 30.511 29.700 0.049 0.000 1.056 714 E HN 0.573 nan 8.360 nan 0.000 0.407 715 K N 0.000 120.400 120.400 -0.001 0.000 2.780 715 K HA 0.000 4.315 4.320 -0.009 0.000 0.191 715 K CA 0.000 56.289 56.287 0.004 0.000 0.838 715 K CB 0.000 32.450 32.500 -0.083 0.000 1.064 715 K HN 0.000 nan 8.250 nan 0.000 0.543