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 1sp3_1_A DATA FIRST_RESID 1 DATA SEQUENCE ANPHKDVLKG PFTTGSEVTT QCLTCHEEQA TDMMKTSHWT WELEQKLPDR DATA SEQUENCE TVVRGKKNSI NNFCVAISSN EPRCTSCHAG YGWKDNTFDF KDKTKVDCLI DATA SEQUENCE CHDTTGTYVK DPAGAGEPMA KLDLAKIAQN VGAPVRDNCG SCHFYGXXXX DATA SEQUENCE XXKHGDLDSS MAYPDKATDV HMDSDGNNFQ CQNCHTTEKH QISGNAMGVS DATA SEQUENCE PGGIDHIGCE NCHDSAPHSN KKLNTHTATV ACQTCHIPFF AKNEPTKMQW DATA SEQUENCE DWSTAGDDKP ETVDQYGKHT YQKKKGNFVW EKMVKPQYAW YNGTANAYMA DATA SEQUENCE GDKMDSNVVT KLTYPMGDIN DAKAKIYPFK VHTGKQIYDK KLNIFITPKT DATA SEQUENCE YGKGGYWSEF DWNLAAKLGM EANPTMLEKG IKYSGEYDFA ATEMWWRINH DATA SEQUENCE MVSPKEQALN CNDCHNKGTR LDWQALGYQG DPMKNKQGPK HK 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.531 177.584 -0.088 0.000 1.274 1 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 1 A CB 0.000 18.979 19.000 -0.036 0.000 0.831 2 N N 1.340 119.947 118.700 -0.154 0.000 2.478 2 N HA 0.557 4.835 4.740 -0.770 0.000 0.275 2 N C -2.053 173.325 175.510 -0.220 0.000 1.221 2 N CA -1.412 51.491 53.050 -0.245 0.000 0.979 2 N CB 0.830 39.036 38.487 -0.469 0.000 1.202 2 N HN 0.214 nan 8.380 nan 0.000 0.564 3 P HA 0.043 nan 4.420 nan 0.000 0.237 3 P C 0.503 177.815 177.300 0.020 0.000 1.178 3 P CA 0.706 63.767 63.100 -0.064 0.000 0.766 3 P CB -0.083 31.603 31.700 -0.025 0.000 0.876 4 H N 0.442 119.529 119.070 0.028 0.000 2.289 4 H HA -0.178 3.917 4.556 -0.769 0.000 0.294 4 H C 1.774 177.128 175.328 0.044 0.000 1.095 4 H CA 1.312 57.383 56.048 0.038 0.000 1.256 4 H CB -0.175 29.607 29.762 0.034 0.000 1.359 4 H HN 0.076 nan 8.280 nan 0.000 0.487 5 K N 0.110 120.606 120.400 0.161 0.000 2.209 5 K HA -0.124 3.734 4.320 -0.770 0.000 0.204 5 K C 1.422 178.069 176.600 0.079 0.000 1.048 5 K CA 1.445 57.795 56.287 0.106 0.000 0.940 5 K CB 0.224 32.769 32.500 0.074 0.000 0.729 5 K HN 0.318 nan 8.250 nan 0.000 0.451 6 D N -0.799 119.641 120.400 0.068 0.000 2.216 6 D HA -0.038 4.140 4.640 -0.770 0.000 0.208 6 D C 1.380 177.714 176.300 0.057 0.000 0.960 6 D CA 0.807 54.836 54.000 0.048 0.000 0.861 6 D CB 0.328 41.145 40.800 0.029 0.000 0.985 6 D HN -0.078 nan 8.370 nan 0.000 0.493 7 V N 0.450 120.413 119.914 0.083 0.000 3.650 7 V HA 0.121 3.780 4.120 -0.770 0.000 0.271 7 V C 1.194 177.363 176.094 0.124 0.000 1.281 7 V CA 0.428 62.780 62.300 0.086 0.000 1.120 7 V CB 0.292 32.163 31.823 0.080 0.000 0.856 7 V HN 0.096 nan 8.190 nan 0.000 0.443 8 L N -0.102 121.214 121.223 0.155 0.000 3.141 8 L HA 0.324 4.202 4.340 -0.770 0.000 0.263 8 L C 1.559 178.556 176.870 0.212 0.000 1.312 8 L CA -0.062 54.940 54.840 0.270 0.000 1.012 8 L CB 0.237 42.448 42.059 0.254 0.000 1.408 8 L HN 0.036 nan 8.230 nan 0.000 0.559 9 K N 0.765 121.196 120.400 0.051 0.000 2.365 9 K HA 0.082 3.940 4.320 -0.770 0.000 0.199 9 K C 1.468 177.913 176.600 -0.257 0.000 1.045 9 K CA 0.762 57.023 56.287 -0.044 0.000 0.962 9 K CB 0.242 32.720 32.500 -0.037 0.000 0.759 9 K HN 0.537 nan 8.250 nan 0.000 0.469 10 G N 1.797 110.244 108.800 -0.588 0.000 2.596 10 G HA2 -0.297 3.201 3.960 -0.770 0.000 0.304 10 G HA3 -0.297 3.201 3.960 -0.770 0.000 0.304 10 G C -2.017 172.549 174.900 -0.557 0.000 1.189 10 G CA -0.135 44.217 45.100 -1.247 0.000 0.986 10 G HN 0.263 nan 8.290 nan 0.000 0.548 11 P HA 0.239 nan 4.420 nan 0.000 0.269 11 P C -0.455 176.525 177.300 -0.534 0.000 1.153 11 P CA 1.065 63.936 63.100 -0.383 0.000 0.754 11 P CB -0.169 31.426 31.700 -0.174 0.000 0.758 12 F N 0.118 120.068 119.950 0.000 0.000 2.507 12 F HA 0.302 4.367 4.527 -0.769 0.000 0.325 12 F C 1.522 177.316 175.800 -0.010 0.000 1.116 12 F CA -0.455 57.541 58.000 -0.006 0.000 0.930 12 F CB 1.938 40.935 39.000 -0.005 0.000 1.146 12 F HN 0.283 nan 8.300 nan 0.000 0.447 13 T N -3.011 111.635 114.554 0.153 0.000 2.990 13 T HA 0.152 4.041 4.350 -0.770 0.000 0.250 13 T C 0.512 175.238 174.700 0.043 0.000 1.041 13 T CA 0.479 62.626 62.100 0.077 0.000 1.010 13 T CB 0.024 68.915 68.868 0.038 0.000 1.003 13 T HN 0.612 nan 8.240 nan 0.000 0.499 14 T N -2.426 112.144 114.554 0.028 0.000 2.916 14 T HA 0.680 4.568 4.350 -0.770 0.000 0.292 14 T C 1.473 176.058 174.700 -0.192 0.000 1.064 14 T CA -0.154 61.898 62.100 -0.080 0.000 1.011 14 T CB 1.408 70.228 68.868 -0.080 0.000 1.152 14 T HN 0.011 nan 8.240 nan 0.000 0.510 15 G N 0.807 109.316 108.800 -0.485 0.000 2.421 15 G HA2 -0.142 3.356 3.960 -0.770 0.000 0.216 15 G HA3 -0.142 3.356 3.960 -0.770 0.000 0.216 15 G C 1.547 176.121 174.900 -0.543 0.000 1.171 15 G CA 0.941 45.499 45.100 -0.902 0.000 0.775 15 G HN 0.756 nan 8.290 nan 0.000 0.543 16 S N 0.541 116.016 115.700 -0.376 0.000 2.419 16 S HA -0.065 3.943 4.470 -0.770 0.000 0.233 16 S C 2.007 176.593 174.600 -0.023 0.000 1.016 16 S CA 1.217 59.407 58.200 -0.016 0.000 0.974 16 S CB -0.149 63.082 63.200 0.052 0.000 0.786 16 S HN 0.574 nan 8.310 nan 0.000 0.492 17 E N 0.682 120.857 120.200 -0.042 0.000 2.110 17 E HA -0.101 3.788 4.350 -0.770 0.000 0.193 17 E C 2.007 178.558 176.600 -0.082 0.000 0.988 17 E CA 1.010 57.429 56.400 0.033 0.000 0.804 17 E CB -0.165 29.627 29.700 0.153 0.000 0.745 17 E HN 0.291 nan 8.360 nan 0.000 0.458 18 V N 0.718 120.441 119.914 -0.318 0.000 2.295 18 V HA -0.252 3.406 4.120 -0.770 0.000 0.246 18 V C 2.285 178.199 176.094 -0.300 0.000 1.049 18 V CA 2.113 64.020 62.300 -0.656 0.000 1.024 18 V CB -0.638 30.820 31.823 -0.609 0.000 0.648 18 V HN 0.316 nan 8.190 nan 0.000 0.447 19 T N -0.489 114.003 114.554 -0.104 0.000 2.777 19 T HA -0.195 3.693 4.350 -0.770 0.000 0.266 19 T C 2.064 176.742 174.700 -0.036 0.000 1.040 19 T CA 2.058 64.141 62.100 -0.029 0.000 1.141 19 T CB -0.400 68.519 68.868 0.086 0.000 0.868 19 T HN 0.697 nan 8.240 nan 0.000 0.444 20 T N 1.231 115.774 114.554 -0.018 0.000 2.849 20 T HA -0.174 3.715 4.350 -0.770 0.000 0.270 20 T C 1.953 176.655 174.700 0.005 0.000 1.066 20 T CA 1.061 63.161 62.100 -0.000 0.000 1.130 20 T CB -0.264 68.615 68.868 0.018 0.000 0.864 20 T HN 0.144 nan 8.240 nan 0.000 0.481 21 Q N 0.622 120.422 119.800 -0.001 0.000 1.993 21 Q HA -0.050 3.828 4.340 -0.770 0.000 0.202 21 Q C 2.874 178.871 176.000 -0.004 0.000 0.984 21 Q CA 1.791 57.606 55.803 0.020 0.000 0.837 21 Q CB -1.431 27.339 28.738 0.054 0.000 0.902 21 Q HN 0.696 nan 8.270 nan 0.000 0.423 22 C N 0.863 120.143 119.300 -0.032 0.000 2.391 22 C HA -0.165 3.833 4.460 -0.770 0.000 0.276 22 C C 2.807 177.818 174.990 0.035 0.000 1.217 22 C CA 0.690 59.721 59.018 0.022 0.000 1.766 22 C CB -1.491 26.241 27.740 -0.013 0.000 2.046 22 C HN 0.438 nan 8.230 nan 0.000 0.475 23 L N 1.519 122.741 121.223 -0.002 0.000 2.353 23 L HA -0.114 3.764 4.340 -0.770 0.000 0.220 23 L C 2.668 179.521 176.870 -0.030 0.000 1.133 23 L CA 1.734 56.565 54.840 -0.014 0.000 0.798 23 L CB -1.160 40.882 42.059 -0.028 0.000 0.922 23 L HN 0.567 nan 8.230 nan 0.000 0.445 24 T N -4.281 110.256 114.554 -0.030 0.000 2.929 24 T HA -0.163 3.726 4.350 -0.770 0.000 0.271 24 T C 1.542 176.193 174.700 -0.082 0.000 1.085 24 T CA 1.214 63.291 62.100 -0.039 0.000 1.125 24 T CB -0.459 68.397 68.868 -0.020 0.000 0.874 24 T HN 0.436 nan 8.240 nan 0.000 0.494 25 C N -0.373 118.839 119.300 -0.148 0.000 3.730 25 C HA 0.338 4.336 4.460 -0.770 0.000 0.397 25 C C 1.081 175.850 174.990 -0.369 0.000 1.468 25 C CA -0.610 58.236 59.018 -0.287 0.000 1.931 25 C CB -0.281 27.201 27.740 -0.431 0.000 2.773 25 C HN 0.581 nan 8.230 nan 0.000 0.692 26 H N 0.440 119.492 119.070 -0.030 0.000 2.492 26 H HA 0.185 4.279 4.556 -0.769 0.000 0.264 26 H C 1.481 176.769 175.328 -0.067 0.000 1.150 26 H CA -0.034 55.989 56.048 -0.043 0.000 0.962 26 H CB -0.092 29.636 29.762 -0.056 0.000 1.766 26 H HN 0.551 nan 8.280 nan 0.000 0.589 27 E N 1.449 121.658 120.200 0.014 0.000 2.147 27 E HA -0.234 3.655 4.350 -0.770 0.000 0.199 27 E C 1.739 178.324 176.600 -0.026 0.000 1.005 27 E CA 1.253 57.640 56.400 -0.021 0.000 0.810 27 E CB 0.344 30.026 29.700 -0.029 0.000 0.736 27 E HN 0.525 nan 8.360 nan 0.000 0.460 28 E N -0.253 119.949 120.200 0.004 0.000 2.038 28 E HA -0.266 3.622 4.350 -0.770 0.000 0.195 28 E C 2.165 178.757 176.600 -0.014 0.000 1.000 28 E CA 1.478 57.882 56.400 0.005 0.000 0.803 28 E CB 0.062 29.783 29.700 0.034 0.000 0.750 28 E HN 0.197 nan 8.360 nan 0.000 0.448 29 Q N 0.105 119.902 119.800 -0.005 0.000 2.096 29 Q HA -0.150 3.728 4.340 -0.770 0.000 0.204 29 Q C 1.882 177.718 176.000 -0.273 0.000 0.982 29 Q CA 1.770 57.508 55.803 -0.107 0.000 0.850 29 Q CB -0.424 28.250 28.738 -0.108 0.000 0.901 29 Q HN 0.349 nan 8.270 nan 0.000 0.422 30 A N -0.262 122.428 122.820 -0.217 0.000 1.858 30 A HA -0.219 3.639 4.320 -0.770 0.000 0.216 30 A C 2.295 179.719 177.584 -0.267 0.000 1.190 30 A CA 2.057 53.925 52.037 -0.281 0.000 0.617 30 A CB -1.122 17.739 19.000 -0.231 0.000 0.827 30 A HN 0.406 nan 8.150 nan 0.000 0.443 31 T N 0.313 114.767 114.554 -0.167 0.000 2.684 31 T HA -0.150 3.738 4.350 -0.770 0.000 0.267 31 T C 1.551 176.194 174.700 -0.095 0.000 1.036 31 T CA 1.641 63.668 62.100 -0.122 0.000 1.148 31 T CB -0.473 68.356 68.868 -0.066 0.000 0.863 31 T HN 0.474 nan 8.240 nan 0.000 0.436 32 D N 0.700 121.059 120.400 -0.069 0.000 2.117 32 D HA -0.046 4.132 4.640 -0.770 0.000 0.197 32 D C 2.059 178.354 176.300 -0.009 0.000 0.987 32 D CA 0.775 54.771 54.000 -0.007 0.000 0.829 32 D CB -0.312 40.524 40.800 0.060 0.000 0.961 32 D HN 0.198 nan 8.370 nan 0.000 0.460 33 M N -0.032 119.498 119.600 -0.118 0.000 2.175 33 M HA -0.027 3.992 4.480 -0.770 0.000 0.264 33 M C 1.901 178.180 176.300 -0.035 0.000 1.063 33 M CA 0.922 56.170 55.300 -0.087 0.000 1.119 33 M CB -0.305 32.107 32.600 -0.313 0.000 1.377 33 M HN 0.000 nan 8.290 nan 0.000 0.415 34 M N -0.595 118.883 119.600 -0.203 0.000 2.557 34 M HA -0.150 3.868 4.480 -0.770 0.000 0.259 34 M C 1.383 177.767 176.300 0.140 0.000 1.086 34 M CA 1.012 56.151 55.300 -0.269 0.000 1.096 34 M CB -0.154 32.094 32.600 -0.587 0.000 1.424 34 M HN 0.101 nan 8.290 nan 0.000 0.488 35 K N 0.067 120.525 120.400 0.097 0.000 2.486 35 K HA 0.005 3.863 4.320 -0.770 0.000 0.194 35 K C 0.924 177.628 176.600 0.174 0.000 1.033 35 K CA 0.662 57.028 56.287 0.131 0.000 1.004 35 K CB -0.154 32.395 32.500 0.082 0.000 0.798 35 K HN 0.402 nan 8.250 nan 0.000 0.495 36 T N -2.740 111.952 114.554 0.230 0.000 2.948 36 T HA 0.109 3.997 4.350 -0.770 0.000 0.285 36 T C 1.356 176.223 174.700 0.278 0.000 1.019 36 T CA -0.481 61.757 62.100 0.231 0.000 1.013 36 T CB 1.722 70.737 68.868 0.246 0.000 1.117 36 T HN 0.008 nan 8.240 nan 0.000 0.533 37 S N -0.401 115.422 115.700 0.205 0.000 2.442 37 S HA -0.188 3.820 4.470 -0.770 0.000 0.236 37 S C 1.608 176.392 174.600 0.307 0.000 1.007 37 S CA 1.236 59.557 58.200 0.202 0.000 0.965 37 S CB -1.128 62.127 63.200 0.091 0.000 0.773 37 S HN 0.857 nan 8.310 nan 0.000 0.504 38 H N -0.874 118.414 119.070 0.364 0.000 2.456 38 H HA 0.021 4.116 4.556 -0.769 0.000 0.296 38 H C 1.674 177.291 175.328 0.482 0.000 1.079 38 H CA 1.908 58.203 56.048 0.412 0.000 1.322 38 H CB -0.047 29.879 29.762 0.273 0.000 1.388 38 H HN 0.628 nan 8.280 nan 0.000 0.538 39 W N 0.692 122.194 121.300 0.336 0.000 2.678 39 W HA -0.098 4.102 4.660 -0.766 0.000 0.282 39 W C 1.834 178.639 176.519 0.476 0.000 1.137 39 W CA 1.325 58.857 57.345 0.312 0.000 1.515 39 W CB 0.044 29.638 29.460 0.223 0.000 1.101 39 W HN 0.183 nan 8.180 nan 0.000 0.564 40 T N -3.433 111.304 114.554 0.304 0.000 3.023 40 T HA -0.176 3.712 4.350 -0.770 0.000 0.266 40 T C 0.612 175.386 174.700 0.124 0.000 1.093 40 T CA 0.881 62.948 62.100 -0.055 0.000 1.129 40 T CB -0.626 68.219 68.868 -0.038 0.000 0.899 40 T HN 0.225 nan 8.240 nan 0.000 0.491 41 W N 2.151 123.529 121.300 0.131 0.000 4.141 41 W HA -0.137 4.062 4.660 -0.769 0.000 0.336 41 W C -0.537 176.009 176.519 0.044 0.000 1.258 41 W CA -0.207 57.216 57.345 0.131 0.000 0.747 41 W CB -2.416 27.203 29.460 0.266 0.000 2.338 41 W HN 0.498 nan 8.180 nan 0.000 1.410 42 E N -0.100 120.211 120.200 0.185 0.000 2.248 42 E HA 0.718 4.606 4.350 -0.770 0.000 0.267 42 E C -0.332 176.308 176.600 0.068 0.000 0.877 42 E CA -1.099 55.351 56.400 0.083 0.000 0.759 42 E CB 2.338 32.044 29.700 0.010 0.000 1.182 42 E HN -0.070 nan 8.360 nan 0.000 0.418 43 L N 1.588 122.840 121.223 0.048 0.000 2.409 43 L HA 0.368 4.246 4.340 -0.770 0.000 0.262 43 L C -0.351 176.536 176.870 0.029 0.000 0.992 43 L CA -0.747 54.118 54.840 0.040 0.000 0.817 43 L CB 2.452 44.535 42.059 0.039 0.000 1.350 43 L HN 0.538 nan 8.230 nan 0.000 0.411 44 E N 2.639 122.855 120.200 0.026 0.000 2.283 44 E HA 0.271 4.159 4.350 -0.770 0.000 0.278 44 E C -1.163 175.450 176.600 0.022 0.000 1.027 44 E CA -0.311 56.101 56.400 0.020 0.000 0.843 44 E CB 1.338 31.048 29.700 0.017 0.000 1.062 44 E HN 0.491 nan 8.360 nan 0.000 0.401 45 Q N 3.652 123.463 119.800 0.018 0.000 2.331 45 Q HA 0.219 4.097 4.340 -0.770 0.000 0.272 45 Q C -1.502 174.507 176.000 0.014 0.000 1.062 45 Q CA -0.850 54.966 55.803 0.021 0.000 0.806 45 Q CB 1.571 30.324 28.738 0.026 0.000 1.312 45 Q HN 0.405 nan 8.270 nan 0.000 0.431 46 K N 5.257 125.666 120.400 0.015 0.000 2.231 46 K HA 0.309 4.167 4.320 -0.770 0.000 0.275 46 K C -0.664 175.941 176.600 0.009 0.000 1.105 46 K CA -0.214 56.078 56.287 0.008 0.000 0.931 46 K CB 0.151 32.655 32.500 0.006 0.000 1.296 46 K HN 0.588 nan 8.250 nan 0.000 0.446 47 L N 5.325 126.551 121.223 0.004 0.000 2.466 47 L HA 0.187 4.065 4.340 -0.770 0.000 0.257 47 L C -1.366 175.503 176.870 -0.001 0.000 1.189 47 L CA -2.019 52.823 54.840 0.003 0.000 0.813 47 L CB 0.344 42.400 42.059 -0.005 0.000 1.118 47 L HN 0.487 nan 8.230 nan 0.000 0.471 48 P HA -0.202 nan 4.420 nan 0.000 0.217 48 P C 0.429 177.723 177.300 -0.010 0.000 1.151 48 P CA 1.497 64.594 63.100 -0.004 0.000 0.849 48 P CB 0.085 31.782 31.700 -0.004 0.000 0.787 49 D N -2.430 117.962 120.400 -0.013 0.000 2.469 49 D HA 0.063 4.241 4.640 -0.770 0.000 0.213 49 D C 0.485 176.775 176.300 -0.017 0.000 1.135 49 D CA 0.038 54.028 54.000 -0.016 0.000 0.834 49 D CB 0.468 41.256 40.800 -0.020 0.000 1.009 49 D HN 0.277 nan 8.370 nan 0.000 0.507 50 R N -1.471 119.020 120.500 -0.015 0.000 2.687 50 R HA 0.461 4.339 4.340 -0.770 0.000 0.265 50 R C -1.538 174.755 176.300 -0.012 0.000 1.048 50 R CA -0.712 55.379 56.100 -0.016 0.000 0.884 50 R CB 0.215 30.501 30.300 -0.023 0.000 1.258 50 R HN -0.265 nan 8.270 nan 0.000 0.469 51 T N 1.820 116.369 114.554 -0.010 0.000 2.799 51 T HA 0.518 4.406 4.350 -0.770 0.000 0.286 51 T C 0.069 174.764 174.700 -0.008 0.000 0.973 51 T CA -0.515 61.582 62.100 -0.006 0.000 1.035 51 T CB 1.271 70.138 68.868 -0.002 0.000 0.932 51 T HN 0.491 nan 8.240 nan 0.000 0.469 52 V N 0.626 120.536 119.914 -0.006 0.000 3.074 52 V HA 0.773 4.431 4.120 -0.770 0.000 0.314 52 V C -0.454 175.639 176.094 -0.002 0.000 1.117 52 V CA -1.078 61.217 62.300 -0.009 0.000 1.014 52 V CB 1.888 33.701 31.823 -0.016 0.000 1.057 52 V HN 0.517 nan 8.190 nan 0.000 0.438 53 V N 2.585 122.497 119.914 -0.003 0.000 2.334 53 V HA 0.504 4.162 4.120 -0.770 0.000 0.267 53 V C 0.548 176.647 176.094 0.008 0.000 1.040 53 V CA 0.071 62.373 62.300 0.003 0.000 0.866 53 V CB 0.339 32.161 31.823 -0.002 0.000 1.019 53 V HN 1.010 nan 8.190 nan 0.000 0.468 54 R N 3.397 123.906 120.500 0.015 0.000 2.261 54 R HA 0.781 4.659 4.340 -0.770 0.000 0.116 54 R C 0.723 177.042 176.300 0.031 0.000 1.533 54 R CA 0.415 56.526 56.100 0.019 0.000 1.423 54 R CB 0.471 30.780 30.300 0.016 0.000 1.225 54 R HN 0.927 nan 8.270 nan 0.000 0.476 55 G N 0.725 109.541 108.800 0.027 0.000 2.829 55 G HA2 -0.292 3.206 3.960 -0.770 0.000 0.628 55 G HA3 -0.292 3.206 3.960 -0.770 0.000 0.628 55 G C -0.021 174.879 174.900 0.000 0.000 1.412 55 G CA 0.273 45.388 45.100 0.025 0.000 0.864 55 G HN 0.585 nan 8.290 nan 0.000 0.544 56 K N 0.264 120.615 120.400 -0.081 0.000 2.103 56 K HA -0.092 3.766 4.320 -0.770 0.000 0.207 56 K C 2.451 179.032 176.600 -0.032 0.000 1.048 56 K CA 1.936 58.100 56.287 -0.204 0.000 0.930 56 K CB -0.228 31.843 32.500 -0.715 0.000 0.716 56 K HN 0.499 nan 8.250 nan 0.000 0.444 57 K N 0.220 120.730 120.400 0.182 0.000 2.113 57 K HA -0.134 3.724 4.320 -0.770 0.000 0.208 57 K C 0.668 177.366 176.600 0.164 0.000 1.047 57 K CA 1.637 58.113 56.287 0.315 0.000 0.928 57 K CB 0.059 32.766 32.500 0.346 0.000 0.716 57 K HN 0.246 nan 8.250 nan 0.000 0.446 58 N N 0.246 119.004 118.700 0.096 0.000 2.238 58 N HA 0.060 4.338 4.740 -0.770 0.000 0.222 58 N C -0.792 174.743 175.510 0.041 0.000 1.133 58 N CA 0.036 53.123 53.050 0.062 0.000 0.854 58 N CB 1.252 39.766 38.487 0.044 0.000 1.041 58 N HN -0.056 nan 8.380 nan 0.000 0.510 59 S N 0.606 116.324 115.700 0.031 0.000 2.608 59 S HA 0.544 4.552 4.470 -0.770 0.000 0.291 59 S C 0.247 174.871 174.600 0.041 0.000 1.146 59 S CA -0.480 57.738 58.200 0.029 0.000 1.043 59 S CB 1.704 64.910 63.200 0.012 0.000 1.037 59 S HN 0.054 nan 8.310 nan 0.000 0.520 60 I N 3.350 123.960 120.570 0.068 0.000 2.378 60 I HA 0.389 4.098 4.170 -0.770 0.000 0.291 60 I C -0.393 175.743 176.117 0.032 0.000 0.992 60 I CA -0.667 60.669 61.300 0.061 0.000 1.154 60 I CB 1.536 39.630 38.000 0.156 0.000 1.315 60 I HN 0.664 nan 8.210 nan 0.000 0.448 61 N N 3.985 122.699 118.700 0.023 0.000 2.701 61 N HA 0.294 4.573 4.740 -0.770 0.000 0.290 61 N C -0.488 175.027 175.510 0.010 0.000 1.338 61 N CA -0.923 52.178 53.050 0.085 0.000 0.799 61 N CB 0.482 39.147 38.487 0.296 0.000 1.491 61 N HN 0.463 nan 8.380 nan 0.000 0.540 62 N N -1.102 117.637 118.700 0.065 0.000 2.320 62 N HA 0.214 4.493 4.740 -0.770 0.000 0.237 62 N C -0.709 174.742 175.510 -0.098 0.000 1.129 62 N CA -0.287 52.730 53.050 -0.055 0.000 0.854 62 N CB -0.384 38.044 38.487 -0.099 0.000 1.083 62 N HN 0.412 nan 8.380 nan 0.000 0.504 63 F N -0.121 119.853 119.950 0.039 0.000 2.480 63 F HA 0.232 4.301 4.527 -0.763 0.000 0.212 63 F C 1.777 177.350 175.800 -0.377 0.000 1.113 63 F CA -0.335 57.580 58.000 -0.142 0.000 0.970 63 F CB -0.433 38.604 39.000 0.062 0.000 1.177 63 F HN 0.019 nan 8.300 nan 0.000 0.663 64 C N 0.358 119.777 119.300 0.198 0.000 2.522 64 C HA 0.176 4.175 4.460 -0.770 0.000 0.271 64 C C 1.601 176.616 174.990 0.041 0.000 1.425 64 C CA 0.205 59.350 59.018 0.212 0.000 1.751 64 C CB -0.982 26.934 27.740 0.294 0.000 1.775 64 C HN 0.567 nan 8.230 nan 0.000 0.557 65 V N -0.930 118.987 119.914 0.005 0.000 0.560 65 V HA -0.233 3.426 4.120 -0.770 0.000 0.092 65 V C 0.254 176.319 176.094 -0.048 0.000 2.006 65 V CA 1.736 63.982 62.300 -0.090 0.000 3.471 65 V CB -1.913 29.768 31.823 -0.237 0.000 0.763 65 V HN 1.035 nan 8.190 nan 0.000 0.793 66 A N -1.675 121.112 122.820 -0.054 0.000 2.582 66 A HA 0.785 4.643 4.320 -0.770 0.000 0.297 66 A C -0.312 177.246 177.584 -0.043 0.000 1.059 66 A CA 0.141 52.157 52.037 -0.036 0.000 0.705 66 A CB 1.168 20.152 19.000 -0.027 0.000 1.279 66 A HN 0.577 nan 8.150 nan 0.000 0.404 67 I N 1.436 121.987 120.570 -0.032 0.000 2.286 67 I HA -0.136 3.572 4.170 -0.770 0.000 0.248 67 I C 1.701 177.795 176.117 -0.039 0.000 1.115 67 I CA 1.968 63.240 61.300 -0.047 0.000 1.392 67 I CB 0.001 37.980 38.000 -0.034 0.000 1.065 67 I HN 0.733 nan 8.210 nan 0.000 0.418 68 S N 0.366 116.068 115.700 0.003 0.000 2.537 68 S HA 0.208 4.216 4.470 -0.770 0.000 0.286 68 S C 1.065 175.664 174.600 -0.002 0.000 1.299 68 S CA -0.012 58.203 58.200 0.026 0.000 1.067 68 S CB 0.752 63.982 63.200 0.051 0.000 0.864 68 S HN 0.640 nan 8.310 nan 0.000 0.494 69 S N 1.504 117.213 115.700 0.015 0.000 2.691 69 S HA -0.228 3.780 4.470 -0.770 0.000 0.262 69 S C 0.416 175.031 174.600 0.025 0.000 1.284 69 S CA 0.890 59.097 58.200 0.012 0.000 1.372 69 S CB -2.340 60.850 63.200 -0.017 0.000 1.693 69 S HN 0.829 nan 8.310 nan 0.000 0.647 70 N N 0.911 119.610 118.700 -0.002 0.000 2.177 70 N HA 0.259 4.538 4.740 -0.770 0.000 0.218 70 N C 0.901 176.362 175.510 -0.082 0.000 1.182 70 N CA 0.521 53.579 53.050 0.012 0.000 0.882 70 N CB 0.230 38.693 38.487 -0.040 0.000 1.052 70 N HN 0.615 nan 8.380 nan 0.000 0.519 71 E N 1.350 121.482 120.200 -0.113 0.000 2.114 71 E HA -0.163 3.725 4.350 -0.770 0.000 0.199 71 E C -0.871 175.560 176.600 -0.281 0.000 1.008 71 E CA 1.549 57.786 56.400 -0.272 0.000 0.810 71 E CB -1.028 28.453 29.700 -0.366 0.000 0.739 71 E HN 0.327 nan 8.360 nan 0.000 0.456 72 P HA -0.166 nan 4.420 nan 0.000 0.218 72 P C 1.051 178.124 177.300 -0.379 0.000 1.148 72 P CA 1.248 64.213 63.100 -0.225 0.000 0.822 72 P CB 0.083 31.747 31.700 -0.060 0.000 0.784 73 R N -0.863 119.268 120.500 -0.614 0.000 2.119 73 R HA -0.040 3.838 4.340 -0.770 0.000 0.222 73 R C 1.632 177.814 176.300 -0.195 0.000 1.088 73 R CA 1.362 57.183 56.100 -0.465 0.000 0.984 73 R CB -0.515 29.484 30.300 -0.502 0.000 0.884 73 R HN 0.222 nan 8.270 nan 0.000 0.447 74 C N -0.749 118.449 119.300 -0.169 0.000 2.504 74 C HA 0.054 4.052 4.460 -0.770 0.000 0.279 74 C C 2.373 177.394 174.990 0.050 0.000 1.358 74 C CA 0.754 59.741 59.018 -0.051 0.000 1.747 74 C CB -0.598 27.112 27.740 -0.050 0.000 2.037 74 C HN 0.544 nan 8.230 nan 0.000 0.503 75 T N -0.082 114.400 114.554 -0.119 0.000 3.169 75 T HA -0.015 3.873 4.350 -0.770 0.000 0.250 75 T C 1.436 176.118 174.700 -0.030 0.000 1.111 75 T CA 1.029 63.031 62.100 -0.163 0.000 1.010 75 T CB -0.528 67.997 68.868 -0.571 0.000 0.984 75 T HN 0.575 nan 8.240 nan 0.000 0.537 76 S N 0.357 116.046 115.700 -0.018 0.000 2.440 76 S HA -0.081 3.927 4.470 -0.770 0.000 0.238 76 S C 1.455 176.088 174.600 0.055 0.000 1.010 76 S CA 0.426 58.629 58.200 0.006 0.000 0.972 76 S CB -0.859 62.326 63.200 -0.025 0.000 0.774 76 S HN 0.678 nan 8.310 nan 0.000 0.501 77 C N 2.020 121.397 119.300 0.130 0.000 2.647 77 C HA 0.379 4.377 4.460 -0.770 0.000 0.296 77 C C 0.471 175.737 174.990 0.460 0.000 1.403 77 C CA -0.881 58.255 59.018 0.198 0.000 1.781 77 C CB -1.825 25.981 27.740 0.109 0.000 2.464 77 C HN 0.624 nan 8.230 nan 0.000 0.559 78 H N 0.664 119.850 119.070 0.193 0.000 2.458 78 H HA 0.441 4.536 4.556 -0.769 0.000 0.330 78 H C 0.338 175.676 175.328 0.016 0.000 1.111 78 H CA -0.166 55.886 56.048 0.007 0.000 1.245 78 H CB 1.542 30.908 29.762 -0.659 0.000 1.456 78 H HN 0.262 nan 8.280 nan 0.000 0.488 79 A N 4.370 126.988 122.820 -0.337 0.000 2.711 79 A HA 0.283 4.141 4.320 -0.770 0.000 0.242 79 A C 0.690 178.063 177.584 -0.352 0.000 1.607 79 A CA 0.501 52.391 52.037 -0.244 0.000 1.370 79 A CB -0.886 18.093 19.000 -0.036 0.000 0.934 79 A HN 0.753 nan 8.150 nan 0.000 0.628 80 G N -1.355 107.169 108.800 -0.459 0.000 2.708 80 G HA2 0.569 4.067 3.960 -0.770 0.000 0.289 80 G HA3 0.569 4.067 3.960 -0.770 0.000 0.289 80 G C -1.403 173.408 174.900 -0.149 0.000 1.416 80 G CA -0.600 44.423 45.100 -0.128 0.000 0.829 80 G HN 0.204 nan 8.290 nan 0.000 0.480 81 Y N -0.304 120.168 120.300 0.287 0.000 2.326 81 Y HA 0.501 4.589 4.550 -0.770 0.000 0.331 81 Y C 0.969 177.016 175.900 0.245 0.000 0.962 81 Y CA 0.217 58.439 58.100 0.203 0.000 1.167 81 Y CB 2.422 40.991 38.460 0.181 0.000 1.148 81 Y HN 1.195 nan 8.280 nan 0.000 0.463 82 G N 1.498 110.467 108.800 0.281 0.000 2.179 82 G HA2 -0.275 3.223 3.960 -0.770 0.000 0.220 82 G HA3 -0.275 3.223 3.960 -0.770 0.000 0.220 82 G C -0.470 174.528 174.900 0.164 0.000 0.990 82 G CA -0.632 44.621 45.100 0.256 0.000 0.646 82 G HN 0.622 nan 8.290 nan 0.000 0.517 83 W N 3.534 124.504 121.300 -0.550 0.000 2.666 83 W HA 0.542 4.741 4.660 -0.768 0.000 0.365 83 W C 1.117 177.405 176.519 -0.385 0.000 1.224 83 W CA -0.335 56.458 57.345 -0.920 0.000 1.515 83 W CB -0.069 28.333 29.460 -1.764 0.000 1.562 83 W HN 0.418 nan 8.180 nan 0.000 0.455 84 K N 2.847 123.352 120.400 0.176 0.000 2.412 84 K HA 0.226 4.085 4.320 -0.770 0.000 0.202 84 K C -0.435 176.243 176.600 0.130 0.000 1.102 84 K CA 0.340 56.674 56.287 0.078 0.000 1.027 84 K CB 0.561 33.114 32.500 0.088 0.000 0.931 84 K HN 0.254 nan 8.250 nan 0.000 0.557 85 D N -0.410 120.149 120.400 0.264 0.000 3.145 85 D HA -0.079 4.099 4.640 -0.770 0.000 0.345 85 D C 0.004 176.506 176.300 0.337 0.000 1.391 85 D CA -0.711 53.431 54.000 0.237 0.000 0.930 85 D CB -0.352 40.537 40.800 0.149 0.000 1.451 85 D HN -0.050 nan 8.370 nan 0.000 0.555 86 N N -0.521 118.320 118.700 0.235 0.000 2.571 86 N HA -0.114 4.165 4.740 -0.770 0.000 0.189 86 N C 0.756 176.345 175.510 0.131 0.000 1.154 86 N CA 1.389 54.563 53.050 0.207 0.000 0.907 86 N CB -0.354 38.227 38.487 0.156 0.000 0.977 86 N HN 0.536 nan 8.380 nan 0.000 0.449 87 T N -3.131 111.488 114.554 0.109 0.000 3.129 87 T HA 0.096 3.984 4.350 -0.770 0.000 0.251 87 T C 0.338 175.033 174.700 -0.009 0.000 1.117 87 T CA -0.742 61.388 62.100 0.051 0.000 1.034 87 T CB -0.747 68.148 68.868 0.046 0.000 0.968 87 T HN 0.121 nan 8.240 nan 0.000 0.526 88 F N 3.649 123.454 119.950 -0.242 0.000 2.608 88 F HA 0.244 4.309 4.527 -0.768 0.000 0.380 88 F C 0.389 175.881 175.800 -0.514 0.000 1.083 88 F CA -1.076 56.615 58.000 -0.515 0.000 1.266 88 F CB 0.308 38.637 39.000 -1.119 0.000 1.076 88 F HN 0.035 nan 8.300 nan 0.000 0.574 89 D N 6.242 125.977 120.400 -1.109 0.000 2.453 89 D HA 0.032 4.210 4.640 -0.770 0.000 0.223 89 D C 0.556 176.326 176.300 -0.884 0.000 1.183 89 D CA -0.037 53.516 54.000 -0.746 0.000 0.933 89 D CB -0.432 40.078 40.800 -0.485 0.000 1.038 89 D HN 0.439 nan 8.370 nan 0.000 0.513 90 F N 1.794 121.512 119.950 -0.387 0.000 2.722 90 F HA -0.008 4.057 4.527 -0.771 0.000 0.298 90 F C 1.948 177.912 175.800 0.273 0.000 1.175 90 F CA 0.482 58.471 58.000 -0.018 0.000 1.462 90 F CB 0.264 39.223 39.000 -0.069 0.000 1.111 90 F HN 0.183 nan 8.300 nan 0.000 0.592 91 K N -0.792 119.706 120.400 0.162 0.000 2.374 91 K HA 0.061 3.919 4.320 -0.770 0.000 0.202 91 K C -0.088 176.524 176.600 0.021 0.000 1.040 91 K CA 0.144 56.498 56.287 0.112 0.000 1.085 91 K CB 0.020 32.553 32.500 0.055 0.000 0.873 91 K HN 0.024 nan 8.250 nan 0.000 0.539 92 D N 1.857 122.247 120.400 -0.017 0.000 2.352 92 D HA 0.074 4.253 4.640 -0.770 0.000 0.245 92 D C 0.591 176.861 176.300 -0.049 0.000 1.224 92 D CA 0.171 54.140 54.000 -0.051 0.000 0.879 92 D CB 0.881 41.614 40.800 -0.112 0.000 1.057 92 D HN -0.126 nan 8.370 nan 0.000 0.491 93 K N 0.834 121.178 120.400 -0.093 0.000 2.147 93 K HA -0.121 3.737 4.320 -0.770 0.000 0.205 93 K C 1.899 178.436 176.600 -0.105 0.000 1.049 93 K CA 1.489 57.681 56.287 -0.158 0.000 0.936 93 K CB -0.007 32.411 32.500 -0.136 0.000 0.722 93 K HN 0.487 nan 8.250 nan 0.000 0.446 94 T N -1.025 113.511 114.554 -0.031 0.000 3.098 94 T HA 0.007 3.896 4.350 -0.770 0.000 0.266 94 T C 1.238 176.013 174.700 0.126 0.000 1.145 94 T CA 0.603 62.718 62.100 0.026 0.000 1.092 94 T CB 0.033 68.920 68.868 0.031 0.000 0.908 94 T HN -0.101 nan 8.240 nan 0.000 0.526 95 K N 1.234 121.725 120.400 0.151 0.000 2.417 95 K HA 0.340 4.198 4.320 -0.770 0.000 0.196 95 K C 0.235 177.028 176.600 0.320 0.000 1.023 95 K CA -0.144 56.361 56.287 0.364 0.000 1.122 95 K CB 0.125 32.904 32.500 0.464 0.000 0.850 95 K HN 0.348 nan 8.250 nan 0.000 0.521 96 V N 2.107 122.010 119.914 -0.018 0.000 2.686 96 V HA 0.034 3.693 4.120 -0.770 0.000 0.295 96 V C 0.298 176.231 176.094 -0.269 0.000 1.055 96 V CA -0.715 61.455 62.300 -0.217 0.000 1.050 96 V CB 1.282 32.834 31.823 -0.452 0.000 0.984 96 V HN 0.120 nan 8.190 nan 0.000 0.482 97 D N 2.548 122.707 120.400 -0.402 0.000 2.396 97 D HA 0.207 4.386 4.640 -0.770 0.000 0.225 97 D C 0.536 176.697 176.300 -0.231 0.000 1.121 97 D CA -0.260 53.424 54.000 -0.527 0.000 0.853 97 D CB 1.109 41.535 40.800 -0.624 0.000 1.043 97 D HN 0.579 nan 8.370 nan 0.000 0.500 98 C N 3.318 122.525 119.300 -0.154 0.000 2.563 98 C HA 0.104 4.102 4.460 -0.770 0.000 0.268 98 C C 2.507 177.427 174.990 -0.117 0.000 1.365 98 C CA -0.148 58.808 59.018 -0.104 0.000 1.754 98 C CB -0.730 26.945 27.740 -0.109 0.000 1.932 98 C HN 0.662 nan 8.230 nan 0.000 0.536 99 L N 0.147 121.207 121.223 -0.271 0.000 2.270 99 L HA 0.037 3.915 4.340 -0.770 0.000 0.210 99 L C 2.358 178.920 176.870 -0.513 0.000 1.104 99 L CA 0.695 55.225 54.840 -0.516 0.000 0.804 99 L CB -0.513 40.928 42.059 -1.030 0.000 0.937 99 L HN 0.204 nan 8.230 nan 0.000 0.450 100 I N -0.258 120.134 120.570 -0.297 0.000 2.286 100 I HA -0.296 3.412 4.170 -0.770 0.000 0.248 100 I C 2.129 178.198 176.117 -0.079 0.000 1.115 100 I CA 1.594 62.903 61.300 0.015 0.000 1.392 100 I CB -0.076 38.027 38.000 0.172 0.000 1.065 100 I HN 0.265 nan 8.210 nan 0.000 0.418 101 C N -0.370 118.811 119.300 -0.198 0.000 2.634 101 C HA 0.128 4.126 4.460 -0.770 0.000 0.268 101 C C 2.124 176.882 174.990 -0.386 0.000 1.322 101 C CA 0.002 58.823 59.018 -0.328 0.000 1.737 101 C CB -1.238 26.205 27.740 -0.495 0.000 1.976 101 C HN 0.525 nan 8.230 nan 0.000 0.547 102 H N -0.493 118.511 119.070 -0.110 0.000 2.827 102 H HA 0.135 4.230 4.556 -0.769 0.000 0.269 102 H C -0.028 175.242 175.328 -0.097 0.000 1.031 102 H CA 0.108 56.095 56.048 -0.101 0.000 1.202 102 H CB -0.104 29.582 29.762 -0.127 0.000 1.511 102 H HN 0.417 nan 8.280 nan 0.000 0.517 103 D N 1.637 122.023 120.400 -0.024 0.000 2.450 103 D HA -0.050 4.128 4.640 -0.770 0.000 0.247 103 D C 1.294 177.619 176.300 0.042 0.000 1.162 103 D CA 0.436 54.429 54.000 -0.011 0.000 0.879 103 D CB 1.025 41.823 40.800 -0.004 0.000 1.163 103 D HN 0.246 nan 8.370 nan 0.000 0.472 104 T N -1.023 113.563 114.554 0.053 0.000 3.054 104 T HA 0.003 3.892 4.350 -0.770 0.000 0.255 104 T C 1.521 176.269 174.700 0.079 0.000 1.035 104 T CA 0.453 62.594 62.100 0.069 0.000 0.941 104 T CB -0.182 68.727 68.868 0.069 0.000 1.026 104 T HN 0.415 nan 8.240 nan 0.000 0.533 105 T N -1.916 112.686 114.554 0.080 0.000 3.067 105 T HA 0.398 4.287 4.350 -0.770 0.000 0.257 105 T C 2.090 176.845 174.700 0.092 0.000 1.105 105 T CA 0.685 62.835 62.100 0.082 0.000 1.104 105 T CB -0.554 68.363 68.868 0.082 0.000 0.925 105 T HN 0.888 nan 8.240 nan 0.000 0.498 106 G N 1.218 110.081 108.800 0.105 0.000 2.162 106 G HA2 -0.331 3.167 3.960 -0.770 0.000 0.260 106 G HA3 -0.331 3.167 3.960 -0.770 0.000 0.260 106 G C 0.968 175.928 174.900 0.101 0.000 0.976 106 G CA 1.119 46.285 45.100 0.110 0.000 0.655 106 G HN 1.038 nan 8.290 nan 0.000 0.533 107 T N -3.334 111.286 114.554 0.109 0.000 3.022 107 T HA 0.343 4.231 4.350 -0.770 0.000 0.250 107 T C 0.973 175.740 174.700 0.111 0.000 1.060 107 T CA 0.543 62.698 62.100 0.091 0.000 1.013 107 T CB 0.248 69.165 68.868 0.082 0.000 0.982 107 T HN 0.748 nan 8.240 nan 0.000 0.508 108 Y N 2.346 122.664 120.300 0.030 0.000 2.496 108 Y HA 0.482 4.570 4.550 -0.769 0.000 0.334 108 Y C -0.923 174.990 175.900 0.021 0.000 1.080 108 Y CA -0.512 57.606 58.100 0.030 0.000 1.355 108 Y CB 0.425 38.906 38.460 0.034 0.000 1.193 108 Y HN 0.011 nan 8.280 nan 0.000 0.523 109 V N 7.036 126.639 119.914 -0.519 0.000 2.733 109 V HA 0.291 3.949 4.120 -0.770 0.000 0.306 109 V C -0.974 174.818 176.094 -0.505 0.000 1.084 109 V CA -1.445 60.624 62.300 -0.385 0.000 0.905 109 V CB 2.177 33.886 31.823 -0.190 0.000 1.010 109 V HN 0.624 nan 8.190 nan 0.000 0.424 110 K N 2.448 122.634 120.400 -0.356 0.000 2.227 110 K HA 0.310 4.168 4.320 -0.770 0.000 0.280 110 K C -0.389 176.136 176.600 -0.125 0.000 1.041 110 K CA -0.629 55.534 56.287 -0.207 0.000 0.905 110 K CB 0.968 33.418 32.500 -0.084 0.000 1.068 110 K HN 0.721 nan 8.250 nan 0.000 0.470 111 D N 4.668 125.015 120.400 -0.088 0.000 2.451 111 D HA -0.012 4.166 4.640 -0.770 0.000 0.254 111 D C -1.615 174.656 176.300 -0.048 0.000 1.204 111 D CA -1.783 52.182 54.000 -0.059 0.000 0.896 111 D CB 1.094 41.875 40.800 -0.032 0.000 1.136 111 D HN 0.216 nan 8.370 nan 0.000 0.499 112 P HA -0.058 nan 4.420 nan 0.000 0.221 112 P C 0.311 177.575 177.300 -0.061 0.000 1.145 112 P CA 0.950 64.019 63.100 -0.052 0.000 0.795 112 P CB 0.245 31.920 31.700 -0.043 0.000 0.775 113 A N -0.798 121.997 122.820 -0.041 0.000 2.545 113 A HA 0.487 4.345 4.320 -0.770 0.000 0.277 113 A C 1.607 179.169 177.584 -0.037 0.000 1.301 113 A CA 0.208 52.205 52.037 -0.067 0.000 0.935 113 A CB -0.715 18.323 19.000 0.064 0.000 1.093 113 A HN 0.210 nan 8.150 nan 0.000 0.519 114 G N -1.368 107.415 108.800 -0.028 0.000 3.523 114 G HA2 0.429 3.928 3.960 -0.770 0.000 0.270 114 G HA3 0.429 3.928 3.960 -0.770 0.000 0.270 114 G C 0.861 175.769 174.900 0.013 0.000 1.134 114 G CA 0.460 45.565 45.100 0.007 0.000 0.825 114 G HN 1.470 nan 8.290 nan 0.000 0.534 115 A N -1.093 121.706 122.820 -0.034 0.000 2.771 115 A HA 0.140 3.998 4.320 -0.770 0.000 0.294 115 A C 2.003 179.594 177.584 0.012 0.000 1.500 115 A CA 1.938 53.947 52.037 -0.048 0.000 0.829 115 A CB -1.385 17.610 19.000 -0.009 0.000 0.998 115 A HN 2.281 nan 8.150 nan 0.000 0.526 116 G N -2.460 106.367 108.800 0.044 0.000 2.259 116 G HA2 -0.101 3.397 3.960 -0.770 0.000 0.217 116 G HA3 -0.101 3.397 3.960 -0.770 0.000 0.217 116 G C -0.014 175.056 174.900 0.283 0.000 1.001 116 G CA 0.796 45.969 45.100 0.122 0.000 0.627 116 G HN 1.214 nan 8.290 nan 0.000 0.501 117 E N 2.441 122.778 120.200 0.229 0.000 2.442 117 E HA 0.435 4.324 4.350 -0.770 0.000 0.262 117 E C -1.979 174.676 176.600 0.091 0.000 1.004 117 E CA -1.177 55.328 56.400 0.174 0.000 0.928 117 E CB 0.593 30.333 29.700 0.066 0.000 0.937 117 E HN 0.298 nan 8.360 nan 0.000 0.446 118 P HA 0.039 nan 4.420 nan 0.000 0.272 118 P C -0.211 177.040 177.300 -0.081 0.000 1.223 118 P CA -0.220 62.828 63.100 -0.086 0.000 0.784 118 P CB 0.496 32.183 31.700 -0.022 0.000 0.923 119 M N 0.987 120.514 119.600 -0.123 0.000 2.247 119 M HA 0.060 4.079 4.480 -0.770 0.000 0.318 119 M C 0.748 177.023 176.300 -0.041 0.000 1.054 119 M CA 0.248 55.503 55.300 -0.074 0.000 1.117 119 M CB -0.554 31.994 32.600 -0.085 0.000 1.515 119 M HN 0.405 nan 8.290 nan 0.000 0.442 120 A N 2.904 125.710 122.820 -0.022 0.000 2.425 120 A HA 0.314 4.172 4.320 -0.770 0.000 0.249 120 A C 0.748 178.331 177.584 -0.002 0.000 1.084 120 A CA -0.167 51.866 52.037 -0.006 0.000 0.781 120 A CB 0.027 19.026 19.000 -0.002 0.000 1.019 120 A HN 0.872 nan 8.150 nan 0.000 0.490 121 K N -0.795 119.610 120.400 0.010 0.000 3.379 121 K HA -0.127 3.732 4.320 -0.770 0.000 0.300 121 K C -0.471 176.143 176.600 0.023 0.000 1.302 121 K CA 0.714 57.010 56.287 0.015 0.000 0.877 121 K CB -2.183 30.322 32.500 0.009 0.000 1.343 121 K HN 0.620 nan 8.250 nan 0.000 0.488 122 L N 0.721 121.963 121.223 0.032 0.000 2.418 122 L HA 0.186 4.064 4.340 -0.770 0.000 0.265 122 L C 0.838 177.752 176.870 0.074 0.000 1.143 122 L CA -0.536 54.337 54.840 0.055 0.000 0.809 122 L CB 0.490 42.593 42.059 0.073 0.000 1.124 122 L HN 0.039 nan 8.230 nan 0.000 0.456 123 D N 2.387 122.837 120.400 0.083 0.000 2.508 123 D HA 0.116 4.295 4.640 -0.770 0.000 0.224 123 D C 1.150 177.531 176.300 0.136 0.000 1.171 123 D CA 0.088 54.145 54.000 0.094 0.000 1.006 123 D CB 0.477 41.324 40.800 0.077 0.000 1.073 123 D HN 0.409 nan 8.370 nan 0.000 0.513 124 L N 2.040 123.364 121.223 0.169 0.000 2.013 124 L HA -0.250 3.628 4.340 -0.770 0.000 0.212 124 L C 2.501 179.539 176.870 0.280 0.000 1.073 124 L CA 1.482 56.449 54.840 0.212 0.000 0.753 124 L CB -0.456 41.742 42.059 0.230 0.000 0.890 124 L HN 0.343 nan 8.230 nan 0.000 0.432 125 A N 0.083 123.141 122.820 0.396 0.000 1.892 125 A HA -0.297 3.561 4.320 -0.770 0.000 0.218 125 A C 2.315 180.035 177.584 0.227 0.000 1.188 125 A CA 2.295 54.584 52.037 0.420 0.000 0.631 125 A CB -0.486 18.605 19.000 0.152 0.000 0.822 125 A HN 0.244 nan 8.150 nan 0.000 0.447 126 K N 0.042 120.531 120.400 0.147 0.000 2.026 126 K HA -0.024 3.834 4.320 -0.770 0.000 0.208 126 K C 1.658 178.311 176.600 0.088 0.000 1.048 126 K CA 1.575 57.923 56.287 0.102 0.000 0.929 126 K CB -0.556 31.993 32.500 0.082 0.000 0.713 126 K HN 0.536 nan 8.250 nan 0.000 0.439 127 I N 0.298 120.923 120.570 0.091 0.000 2.127 127 I HA -0.326 3.382 4.170 -0.770 0.000 0.241 127 I C 2.255 178.371 176.117 -0.002 0.000 1.075 127 I CA 1.447 62.781 61.300 0.057 0.000 1.334 127 I CB -0.478 37.573 38.000 0.085 0.000 1.040 127 I HN 0.237 nan 8.210 nan 0.000 0.405 128 A N 0.066 122.878 122.820 -0.013 0.000 1.908 128 A HA -0.282 3.576 4.320 -0.770 0.000 0.218 128 A C 2.231 179.781 177.584 -0.057 0.000 1.181 128 A CA 1.764 53.747 52.037 -0.089 0.000 0.627 128 A CB -0.670 18.263 19.000 -0.112 0.000 0.818 128 A HN 0.511 nan 8.150 nan 0.000 0.445 129 Q N -0.521 119.305 119.800 0.044 0.000 2.224 129 Q HA -0.050 3.828 4.340 -0.770 0.000 0.203 129 Q C 0.978 177.026 176.000 0.079 0.000 0.970 129 Q CA 1.120 56.972 55.803 0.081 0.000 0.865 129 Q CB -0.058 28.741 28.738 0.102 0.000 0.922 129 Q HN 0.633 nan 8.270 nan 0.000 0.445 130 N N -0.062 118.667 118.700 0.049 0.000 2.270 130 N HA 0.061 4.339 4.740 -0.770 0.000 0.198 130 N C -0.371 175.167 175.510 0.046 0.000 1.117 130 N CA 0.018 53.105 53.050 0.060 0.000 0.845 130 N CB 0.826 39.348 38.487 0.059 0.000 0.980 130 N HN -0.001 nan 8.380 nan 0.000 0.486 131 V N 0.556 120.462 119.914 -0.014 0.000 2.901 131 V HA 0.265 3.923 4.120 -0.770 0.000 0.307 131 V C 1.010 177.123 176.094 0.031 0.000 1.084 131 V CA 0.644 62.914 62.300 -0.050 0.000 1.184 131 V CB 1.039 32.726 31.823 -0.226 0.000 0.941 131 V HN 0.423 nan 8.190 nan 0.000 0.493 132 G N 2.759 111.596 108.800 0.062 0.000 2.588 132 G HA2 0.622 4.120 3.960 -0.770 0.000 0.281 132 G HA3 0.622 4.120 3.960 -0.770 0.000 0.281 132 G C -0.734 174.264 174.900 0.163 0.000 1.223 132 G CA -0.169 44.983 45.100 0.087 0.000 0.871 132 G HN 1.045 nan 8.290 nan 0.000 0.492 133 A N 0.681 123.574 122.820 0.121 0.000 2.440 133 A HA 0.684 4.542 4.320 -0.770 0.000 0.251 133 A C -2.203 175.436 177.584 0.091 0.000 1.089 133 A CA -0.751 51.363 52.037 0.128 0.000 0.779 133 A CB -0.270 18.767 19.000 0.062 0.000 1.022 133 A HN 0.320 nan 8.150 nan 0.000 0.492 134 P HA 0.256 nan 4.420 nan 0.000 0.266 134 P C -0.103 177.178 177.300 -0.032 0.000 1.195 134 P CA 0.034 63.097 63.100 -0.062 0.000 0.768 134 P CB 0.669 32.271 31.700 -0.163 0.000 0.838 135 V N 1.073 120.966 119.914 -0.034 0.000 3.204 135 V HA 0.457 4.115 4.120 -0.770 0.000 0.316 135 V C 1.529 177.586 176.094 -0.061 0.000 1.160 135 V CA -0.853 61.427 62.300 -0.033 0.000 1.044 135 V CB 1.574 33.385 31.823 -0.019 0.000 1.136 135 V HN 0.346 nan 8.190 nan 0.000 0.455 136 R N -0.513 119.951 120.500 -0.061 0.000 2.133 136 R HA -0.190 3.688 4.340 -0.770 0.000 0.247 136 R C 1.677 177.924 176.300 -0.089 0.000 1.151 136 R CA 2.396 58.473 56.100 -0.039 0.000 0.971 136 R CB -0.472 29.845 30.300 0.028 0.000 0.866 136 R HN 0.935 nan 8.270 nan 0.000 0.447 137 D N -0.120 120.241 120.400 -0.065 0.000 2.264 137 D HA -0.075 4.103 4.640 -0.770 0.000 0.208 137 D C 1.155 177.398 176.300 -0.095 0.000 0.966 137 D CA 0.966 54.946 54.000 -0.034 0.000 0.864 137 D CB -0.039 40.803 40.800 0.070 0.000 0.933 137 D HN 0.246 nan 8.370 nan 0.000 0.499 138 N N -1.191 117.454 118.700 -0.093 0.000 2.135 138 N HA -0.095 4.183 4.740 -0.770 0.000 0.186 138 N C 1.852 177.274 175.510 -0.148 0.000 1.027 138 N CA 1.279 54.274 53.050 -0.092 0.000 0.849 138 N CB -0.237 38.190 38.487 -0.101 0.000 1.002 138 N HN 0.190 nan 8.380 nan 0.000 0.425 139 C N 0.261 119.445 119.300 -0.193 0.000 2.413 139 C HA -0.034 3.964 4.460 -0.770 0.000 0.276 139 C C 2.758 177.582 174.990 -0.277 0.000 1.248 139 C CA 0.869 59.781 59.018 -0.177 0.000 1.742 139 C CB -1.651 25.962 27.740 -0.213 0.000 2.017 139 C HN 0.613 nan 8.230 nan 0.000 0.481 140 G N 0.300 108.679 108.800 -0.701 0.000 2.498 140 G HA2 -0.148 3.350 3.960 -0.770 0.000 0.219 140 G HA3 -0.148 3.350 3.960 -0.770 0.000 0.219 140 G C 1.678 176.268 174.900 -0.516 0.000 1.119 140 G CA 1.035 45.248 45.100 -1.477 0.000 0.766 140 G HN 0.563 nan 8.290 nan 0.000 0.552 141 S N -0.607 114.992 115.700 -0.167 0.000 2.420 141 S HA -0.168 3.840 4.470 -0.770 0.000 0.237 141 S C 2.082 176.723 174.600 0.070 0.000 1.023 141 S CA 1.310 59.533 58.200 0.038 0.000 0.991 141 S CB -0.215 62.998 63.200 0.022 0.000 0.792 141 S HN 0.608 nan 8.310 nan 0.000 0.488 142 C N -1.093 118.186 119.300 -0.034 0.000 2.735 142 C HA 0.262 4.260 4.460 -0.770 0.000 0.444 142 C C 2.050 176.917 174.990 -0.206 0.000 1.331 142 C CA -0.532 58.437 59.018 -0.082 0.000 2.225 142 C CB -0.820 26.834 27.740 -0.144 0.000 2.917 142 C HN 0.601 nan 8.230 nan 0.000 0.567 143 H N -0.097 118.885 119.070 -0.147 0.000 2.529 143 H HA 0.111 4.205 4.556 -0.769 0.000 0.277 143 H C 1.554 176.865 175.328 -0.029 0.000 0.999 143 H CA 1.019 56.980 56.048 -0.145 0.000 1.256 143 H CB -0.104 29.542 29.762 -0.194 0.000 1.402 143 H HN 0.569 nan 8.280 nan 0.000 0.566 144 F N -0.522 119.289 119.950 -0.232 0.000 2.754 144 F HA 0.062 4.127 4.527 -0.771 0.000 0.297 144 F C 0.247 175.495 175.800 -0.919 0.000 1.122 144 F CA -0.356 57.273 58.000 -0.617 0.000 1.400 144 F CB 0.404 38.838 39.000 -0.943 0.000 1.117 144 F HN 0.000 nan 8.300 nan 0.000 0.587 145 Y N -0.255 120.105 120.300 0.099 0.000 2.772 145 Y HA 0.768 4.855 4.550 -0.771 0.000 0.324 145 Y C 0.609 176.465 175.900 -0.074 0.000 1.169 145 Y CA -1.453 56.655 58.100 0.012 0.000 1.198 145 Y CB 0.055 38.526 38.460 0.017 0.000 1.402 145 Y HN -0.224 nan 8.280 nan 0.000 0.577 154 H N 0.607 119.296 119.070 -0.635 0.000 2.975 154 H HA 0.079 4.175 4.556 -0.767 0.000 0.303 154 H C 0.816 175.985 175.328 -0.265 0.000 1.023 154 H CA 1.215 56.990 56.048 -0.455 0.000 1.473 154 H CB 1.385 30.985 29.762 -0.269 0.000 1.498 154 H HN 0.600 nan 8.280 nan 0.000 0.549 155 G N 2.735 111.470 108.800 -0.108 0.000 3.026 155 G HA2 -0.151 3.347 3.960 -0.770 0.000 0.208 155 G HA3 -0.151 3.347 3.960 -0.770 0.000 0.208 155 G C 0.983 175.988 174.900 0.176 0.000 1.169 155 G CA 0.110 45.289 45.100 0.131 0.000 0.788 155 G HN 0.612 nan 8.290 nan 0.000 0.533 156 D N -0.210 120.226 120.400 0.060 0.000 2.339 156 D HA 0.042 4.220 4.640 -0.770 0.000 0.217 156 D C 0.646 176.971 176.300 0.042 0.000 1.050 156 D CA -0.102 53.962 54.000 0.107 0.000 0.856 156 D CB 0.063 40.940 40.800 0.128 0.000 0.922 156 D HN 0.232 nan 8.370 nan 0.000 0.518 157 L N 1.910 123.111 121.223 -0.036 0.000 2.415 157 L HA 0.296 4.175 4.340 -0.770 0.000 0.268 157 L C -0.672 176.042 176.870 -0.259 0.000 0.984 157 L CA -0.756 54.006 54.840 -0.130 0.000 0.853 157 L CB 1.735 43.772 42.059 -0.037 0.000 1.215 157 L HN 0.009 nan 8.230 nan 0.000 0.419 158 D N 0.928 121.029 120.400 -0.499 0.000 2.467 158 D HA 0.235 4.413 4.640 -0.770 0.000 0.245 158 D C 0.753 176.448 176.300 -1.009 0.000 1.038 158 D CA -0.431 53.246 54.000 -0.539 0.000 1.038 158 D CB 1.812 42.443 40.800 -0.282 0.000 1.278 158 D HN 0.365 nan 8.370 nan 0.000 0.564 159 S N -0.009 115.316 115.700 -0.624 0.000 2.440 159 S HA -0.210 3.799 4.470 -0.770 0.000 0.238 159 S C 1.820 176.219 174.600 -0.336 0.000 1.010 159 S CA 1.301 59.253 58.200 -0.414 0.000 0.972 159 S CB -0.642 62.539 63.200 -0.031 0.000 0.774 159 S HN 0.611 nan 8.310 nan 0.000 0.501 160 S N 1.150 116.654 115.700 -0.328 0.000 2.561 160 S HA 0.136 4.144 4.470 -0.770 0.000 0.225 160 S C 1.608 176.068 174.600 -0.232 0.000 0.977 160 S CA 0.101 58.190 58.200 -0.185 0.000 0.926 160 S CB -0.503 62.615 63.200 -0.136 0.000 0.769 160 S HN 0.308 nan 8.310 nan 0.000 0.533 161 M N 1.306 120.594 119.600 -0.520 0.000 2.630 161 M HA 0.224 4.242 4.480 -0.770 0.000 0.254 161 M C 2.285 178.503 176.300 -0.136 0.000 1.092 161 M CA 0.702 55.770 55.300 -0.387 0.000 1.087 161 M CB -1.716 30.546 32.600 -0.564 0.000 1.453 161 M HN 0.580 nan 8.290 nan 0.000 0.509 162 A N -0.371 122.420 122.820 -0.048 0.000 1.908 162 A HA -0.134 3.724 4.320 -0.770 0.000 0.218 162 A C 0.359 177.697 177.584 -0.409 0.000 1.181 162 A CA 1.423 53.471 52.037 0.019 0.000 0.627 162 A CB -0.285 18.852 19.000 0.229 0.000 0.818 162 A HN 0.508 nan 8.150 nan 0.000 0.445 163 Y N -0.547 119.782 120.300 0.048 0.000 2.516 163 Y HA 0.308 4.397 4.550 -0.770 0.000 0.329 163 Y C -2.676 173.226 175.900 0.003 0.000 1.095 163 Y CA -2.249 55.872 58.100 0.036 0.000 1.213 163 Y CB 1.042 39.524 38.460 0.036 0.000 1.109 163 Y HN 0.193 nan 8.280 nan 0.000 0.630 164 P HA 0.232 nan 4.420 nan 0.000 0.280 164 P C -0.649 176.667 177.300 0.028 0.000 1.272 164 P CA -0.365 62.746 63.100 0.018 0.000 0.819 164 P CB 1.669 33.352 31.700 -0.027 0.000 1.122 165 D N -1.174 119.230 120.400 0.006 0.000 2.437 165 D HA 0.174 4.352 4.640 -0.770 0.000 0.259 165 D C 1.113 177.402 176.300 -0.018 0.000 1.118 165 D CA -0.754 53.246 54.000 -0.000 0.000 1.017 165 D CB 0.830 41.627 40.800 -0.005 0.000 1.120 165 D HN 0.245 nan 8.370 nan 0.000 0.541 166 K N -0.306 120.079 120.400 -0.025 0.000 2.063 166 K HA -0.196 3.662 4.320 -0.770 0.000 0.208 166 K C 1.949 178.527 176.600 -0.036 0.000 1.048 166 K CA 1.449 57.711 56.287 -0.043 0.000 0.928 166 K CB -0.477 31.998 32.500 -0.043 0.000 0.713 166 K HN 0.505 nan 8.250 nan 0.000 0.442 167 A N 0.254 123.059 122.820 -0.025 0.000 1.986 167 A HA -0.172 3.686 4.320 -0.770 0.000 0.220 167 A C 2.085 179.663 177.584 -0.010 0.000 1.171 167 A CA 2.268 54.294 52.037 -0.018 0.000 0.640 167 A CB -0.754 18.233 19.000 -0.022 0.000 0.811 167 A HN 0.420 nan 8.150 nan 0.000 0.451 168 T N -1.326 113.219 114.554 -0.015 0.000 2.852 168 T HA 0.046 3.935 4.350 -0.770 0.000 0.256 168 T C 0.438 175.143 174.700 0.009 0.000 1.038 168 T CA 1.081 63.176 62.100 -0.009 0.000 1.141 168 T CB 0.011 68.862 68.868 -0.029 0.000 0.869 168 T HN 0.550 nan 8.240 nan 0.000 0.439 169 D N 0.789 121.184 120.400 -0.007 0.000 2.764 169 D HA 0.161 4.339 4.640 -0.770 0.000 0.227 169 D C 1.079 177.336 176.300 -0.071 0.000 1.347 169 D CA -0.207 53.793 54.000 0.001 0.000 0.953 169 D CB 2.167 42.994 40.800 0.045 0.000 1.476 169 D HN 0.074 nan 8.370 nan 0.000 0.585 170 V N 2.452 122.271 119.914 -0.159 0.000 2.594 170 V HA -0.149 3.510 4.120 -0.770 0.000 0.253 170 V C 1.405 177.248 176.094 -0.419 0.000 1.069 170 V CA 1.546 63.669 62.300 -0.296 0.000 1.082 170 V CB -0.865 30.729 31.823 -0.382 0.000 0.680 170 V HN 0.533 nan 8.190 nan 0.000 0.469 171 H N -0.232 118.703 119.070 -0.225 0.000 2.384 171 H HA 0.269 4.363 4.556 -0.770 0.000 0.300 171 H C 2.191 177.257 175.328 -0.436 0.000 1.057 171 H CA 1.790 57.522 56.048 -0.525 0.000 1.370 171 H CB -0.119 29.453 29.762 -0.317 0.000 1.417 171 H HN 0.327 nan 8.280 nan 0.000 0.527 172 M N 0.448 120.039 119.600 -0.015 0.000 2.514 172 M HA -0.027 3.991 4.480 -0.770 0.000 0.258 172 M C 0.177 176.481 176.300 0.006 0.000 1.119 172 M CA 0.049 55.375 55.300 0.044 0.000 1.111 172 M CB 0.274 32.927 32.600 0.087 0.000 1.390 172 M HN 0.094 nan 8.290 nan 0.000 0.475 173 D N 1.610 121.990 120.400 -0.034 0.000 4.368 173 D HA -0.123 4.056 4.640 -0.770 0.000 0.202 173 D C 0.896 177.205 176.300 0.014 0.000 1.209 173 D CA 0.428 54.414 54.000 -0.023 0.000 0.766 173 D CB 0.642 41.403 40.800 -0.064 0.000 1.226 173 D HN 0.323 nan 8.370 nan 0.000 0.663 174 S N 2.281 118.015 115.700 0.057 0.000 2.481 174 S HA -0.132 3.876 4.470 -0.770 0.000 0.231 174 S C 1.116 175.769 174.600 0.088 0.000 0.996 174 S CA 0.447 58.709 58.200 0.104 0.000 0.942 174 S CB 0.253 63.581 63.200 0.213 0.000 0.768 174 S HN 0.485 nan 8.310 nan 0.000 0.520 175 D N 1.360 121.793 120.400 0.056 0.000 2.349 175 D HA 0.270 4.448 4.640 -0.770 0.000 0.215 175 D C 1.281 177.595 176.300 0.022 0.000 1.016 175 D CA 0.673 54.697 54.000 0.039 0.000 0.870 175 D CB 0.243 41.059 40.800 0.025 0.000 0.917 175 D HN 0.535 nan 8.370 nan 0.000 0.524 176 G N 0.084 108.889 108.800 0.008 0.000 3.267 176 G HA2 -0.029 3.470 3.960 -0.770 0.000 0.200 176 G HA3 -0.029 3.470 3.960 -0.770 0.000 0.200 176 G C 1.062 175.956 174.900 -0.009 0.000 1.603 176 G CA -0.173 44.920 45.100 -0.012 0.000 0.753 176 G HN -0.060 nan 8.290 nan 0.000 0.755 177 N N 0.953 119.608 118.700 -0.075 0.000 2.205 177 N HA -0.136 4.142 4.740 -0.770 0.000 0.186 177 N C 1.050 176.589 175.510 0.048 0.000 1.015 177 N CA 1.080 54.077 53.050 -0.089 0.000 0.862 177 N CB -0.403 37.830 38.487 -0.424 0.000 0.986 177 N HN 0.667 nan 8.380 nan 0.000 0.429 178 N N -0.326 118.390 118.700 0.027 0.000 2.721 178 N HA -0.201 4.077 4.740 -0.770 0.000 0.249 178 N C -1.125 174.545 175.510 0.268 0.000 1.072 178 N CA -0.223 52.898 53.050 0.119 0.000 0.710 178 N CB -0.944 37.615 38.487 0.120 0.000 0.993 178 N HN -0.044 nan 8.380 nan 0.000 0.547 179 F N 1.162 121.148 119.950 0.061 0.000 2.518 179 F HA 0.173 4.238 4.527 -0.770 0.000 0.359 179 F C 1.479 177.302 175.800 0.038 0.000 1.118 179 F CA 0.070 58.103 58.000 0.055 0.000 1.287 179 F CB 0.597 39.646 39.000 0.081 0.000 1.132 179 F HN 0.129 nan 8.300 nan 0.000 0.587 180 Q N 1.773 121.682 119.800 0.182 0.000 2.318 180 Q HA 0.164 4.043 4.340 -0.770 0.000 0.222 180 Q C 1.249 177.310 176.000 0.102 0.000 1.003 180 Q CA -0.350 55.509 55.803 0.092 0.000 0.936 180 Q CB 0.575 29.330 28.738 0.029 0.000 1.204 180 Q HN 0.749 nan 8.270 nan 0.000 0.524 181 C N 0.536 119.881 119.300 0.074 0.000 2.429 181 C HA -0.150 3.849 4.460 -0.770 0.000 0.277 181 C C 2.268 177.349 174.990 0.151 0.000 1.262 181 C CA 0.959 60.051 59.018 0.122 0.000 1.733 181 C CB -0.704 27.042 27.740 0.010 0.000 2.010 181 C HN 0.779 nan 8.230 nan 0.000 0.483 182 Q N 1.270 121.103 119.800 0.056 0.000 2.437 182 Q HA -0.109 3.769 4.340 -0.770 0.000 0.210 182 Q C 1.313 177.290 176.000 -0.038 0.000 0.972 182 Q CA 1.069 56.894 55.803 0.036 0.000 0.903 182 Q CB -0.929 27.802 28.738 -0.011 0.000 0.967 182 Q HN 0.683 nan 8.270 nan 0.000 0.486 183 N N 0.438 119.079 118.700 -0.099 0.000 2.205 183 N HA -0.097 4.181 4.740 -0.770 0.000 0.186 183 N C 1.378 176.719 175.510 -0.280 0.000 1.015 183 N CA 1.676 54.558 53.050 -0.280 0.000 0.862 183 N CB 0.048 38.209 38.487 -0.542 0.000 0.986 183 N HN 0.379 nan 8.380 nan 0.000 0.429 184 C N -0.762 118.440 119.300 -0.163 0.000 2.525 184 C HA 0.117 4.115 4.460 -0.770 0.000 0.291 184 C C 1.151 176.010 174.990 -0.218 0.000 1.351 184 C CA -0.392 58.508 59.018 -0.197 0.000 1.771 184 C CB -0.820 26.796 27.740 -0.205 0.000 2.177 184 C HN 0.390 nan 8.230 nan 0.000 0.510 185 H N 2.626 121.693 119.070 -0.004 0.000 2.799 185 H HA 0.115 4.209 4.556 -0.769 0.000 0.225 185 H C 0.508 175.834 175.328 -0.004 0.000 1.904 185 H CA 0.304 56.362 56.048 0.016 0.000 1.344 185 H CB -0.392 29.373 29.762 0.005 0.000 1.744 185 H HN 0.521 nan 8.280 nan 0.000 0.542 186 T N -0.030 114.551 114.554 0.044 0.000 2.928 186 T HA 0.113 4.001 4.350 -0.770 0.000 0.305 186 T C 0.628 175.348 174.700 0.034 0.000 1.035 186 T CA -0.385 61.728 62.100 0.021 0.000 1.145 186 T CB 0.966 69.837 68.868 0.005 0.000 0.963 186 T HN 0.208 nan 8.240 nan 0.000 0.545 187 T N 3.118 117.671 114.554 -0.002 0.000 2.812 187 T HA 0.503 4.391 4.350 -0.770 0.000 0.282 187 T C -0.631 174.043 174.700 -0.042 0.000 0.990 187 T CA -0.613 61.473 62.100 -0.023 0.000 0.960 187 T CB 1.505 70.333 68.868 -0.067 0.000 0.948 187 T HN 0.746 nan 8.240 nan 0.000 0.438 188 E N 1.857 122.042 120.200 -0.024 0.000 2.224 188 E HA 0.415 4.303 4.350 -0.770 0.000 0.265 188 E C -0.560 176.038 176.600 -0.003 0.000 0.878 188 E CA -0.709 55.681 56.400 -0.017 0.000 0.759 188 E CB 0.825 30.529 29.700 0.005 0.000 1.164 188 E HN 0.515 nan 8.360 nan 0.000 0.414 189 K N 2.727 123.126 120.400 -0.002 0.000 3.077 189 K HA -0.287 3.571 4.320 -0.770 0.000 0.264 189 K C -0.539 176.149 176.600 0.147 0.000 1.008 189 K CA 0.884 57.215 56.287 0.073 0.000 0.740 189 K CB -1.456 31.084 32.500 0.067 0.000 1.273 189 K HN 0.896 nan 8.250 nan 0.000 0.477 190 H N -2.560 116.523 119.070 0.022 0.000 3.141 190 H HA -0.193 3.901 4.556 -0.770 0.000 0.260 190 H C 0.270 175.630 175.328 0.053 0.000 1.132 190 H CA 1.624 57.688 56.048 0.027 0.000 1.171 190 H CB -0.710 29.062 29.762 0.017 0.000 1.274 190 H HN 0.420 nan 8.280 nan 0.000 0.329 191 Q N 1.086 120.952 119.800 0.109 0.000 2.361 191 Q HA 0.360 4.238 4.340 -0.770 0.000 0.250 191 Q C -0.442 175.599 176.000 0.069 0.000 1.023 191 Q CA -0.151 55.711 55.803 0.098 0.000 0.915 191 Q CB 0.185 28.963 28.738 0.067 0.000 1.238 191 Q HN 0.459 nan 8.270 nan 0.000 0.451 192 I N 3.236 123.872 120.570 0.109 0.000 2.396 192 I HA 0.119 3.828 4.170 -0.770 0.000 0.289 192 I C 0.662 176.846 176.117 0.113 0.000 1.056 192 I CA -0.291 61.071 61.300 0.105 0.000 1.365 192 I CB 0.739 38.820 38.000 0.134 0.000 1.407 192 I HN 0.681 nan 8.210 nan 0.000 0.509 193 S N 5.025 120.788 115.700 0.106 0.000 2.634 193 S HA 0.793 4.802 4.470 -0.770 0.000 0.261 193 S C 0.212 174.944 174.600 0.219 0.000 1.271 193 S CA 0.035 58.268 58.200 0.055 0.000 0.985 193 S CB 1.593 64.787 63.200 -0.009 0.000 0.968 193 S HN 1.190 nan 8.310 nan 0.000 0.568 194 G N 1.097 109.991 108.800 0.157 0.000 3.400 194 G HA2 -0.004 3.494 3.960 -0.770 0.000 0.679 194 G HA3 -0.004 3.494 3.960 -0.770 0.000 0.679 194 G C -1.356 173.643 174.900 0.165 0.000 1.239 194 G CA -1.091 44.156 45.100 0.244 0.000 1.049 194 G HN 0.749 nan 8.290 nan 0.000 0.539 195 N N 0.727 119.525 118.700 0.163 0.000 2.458 195 N HA 0.607 4.885 4.740 -0.770 0.000 0.270 195 N C 0.857 176.449 175.510 0.138 0.000 1.102 195 N CA 0.592 53.722 53.050 0.134 0.000 0.967 195 N CB 1.657 40.230 38.487 0.143 0.000 1.078 195 N HN 1.107 nan 8.380 nan 0.000 0.471 196 A N 2.380 125.271 122.820 0.119 0.000 2.406 196 A HA 0.159 4.017 4.320 -0.770 0.000 0.243 196 A C 0.772 178.440 177.584 0.141 0.000 1.082 196 A CA -0.447 51.667 52.037 0.129 0.000 0.786 196 A CB 0.148 19.214 19.000 0.110 0.000 1.029 196 A HN 0.787 nan 8.150 nan 0.000 0.495 197 M N 1.258 120.944 119.600 0.142 0.000 2.261 197 M HA 0.285 4.304 4.480 -0.770 0.000 0.350 197 M C 1.310 177.713 176.300 0.173 0.000 1.343 197 M CA 2.217 57.603 55.300 0.144 0.000 1.003 197 M CB -0.226 32.415 32.600 0.069 0.000 1.848 197 M HN 1.679 nan 8.290 nan 0.000 0.456 198 G N 3.170 112.139 108.800 0.281 0.000 2.179 198 G HA2 -0.198 3.300 3.960 -0.770 0.000 0.260 198 G HA3 -0.198 3.300 3.960 -0.770 0.000 0.260 198 G C -0.244 174.722 174.900 0.109 0.000 0.977 198 G CA 0.129 45.341 45.100 0.186 0.000 0.641 198 G HN 0.684 nan 8.290 nan 0.000 0.533 199 V N 0.506 120.487 119.914 0.113 0.000 2.532 199 V HA 0.803 4.462 4.120 -0.770 0.000 0.295 199 V C 0.660 176.796 176.094 0.069 0.000 1.041 199 V CA 0.351 62.697 62.300 0.077 0.000 0.926 199 V CB 1.685 33.553 31.823 0.075 0.000 0.992 199 V HN 0.326 nan 8.190 nan 0.000 0.457 200 S N 3.216 118.944 115.700 0.047 0.000 3.565 200 S HA 0.579 4.587 4.470 -0.770 0.000 0.242 200 S C -1.728 172.904 174.600 0.052 0.000 1.023 200 S CA -0.456 57.768 58.200 0.039 0.000 1.300 200 S CB 1.234 64.440 63.200 0.009 0.000 1.198 200 S HN 0.757 nan 8.310 nan 0.000 0.697 201 P HA 0.254 nan 4.420 nan 0.000 0.199 201 P C 0.417 177.730 177.300 0.021 0.000 1.201 201 P CA 0.732 63.851 63.100 0.032 0.000 0.880 201 P CB -0.552 31.169 31.700 0.035 0.000 0.714 202 G N -0.378 108.439 108.800 0.028 0.000 4.084 202 G HA2 0.482 3.980 3.960 -0.770 0.000 0.293 202 G HA3 0.482 3.980 3.960 -0.770 0.000 0.293 202 G C 0.025 174.947 174.900 0.037 0.000 1.303 202 G CA -0.056 45.059 45.100 0.025 0.000 1.289 202 G HN 0.570 nan 8.290 nan 0.000 0.609 203 G N 0.031 108.860 108.800 0.048 0.000 2.782 203 G HA2 0.396 3.894 3.960 -0.770 0.000 0.280 203 G HA3 0.396 3.894 3.960 -0.770 0.000 0.280 203 G C 0.797 175.736 174.900 0.064 0.000 1.526 203 G CA -0.587 44.549 45.100 0.060 0.000 1.083 203 G HN 0.147 nan 8.290 nan 0.000 0.552 204 I N 0.482 121.083 120.570 0.053 0.000 2.194 204 I HA -0.107 3.601 4.170 -0.770 0.000 0.246 204 I C 0.116 176.295 176.117 0.104 0.000 1.093 204 I CA 1.169 62.486 61.300 0.029 0.000 1.355 204 I CB 0.191 38.205 38.000 0.023 0.000 1.046 204 I HN 0.219 nan 8.210 nan 0.000 0.413 205 D N -1.221 119.258 120.400 0.132 0.000 2.471 205 D HA 0.138 4.316 4.640 -0.770 0.000 0.245 205 D C 0.511 176.875 176.300 0.106 0.000 1.116 205 D CA -0.260 53.822 54.000 0.138 0.000 0.853 205 D CB 1.284 42.175 40.800 0.153 0.000 1.123 205 D HN 0.062 nan 8.370 nan 0.000 0.540 206 H N 2.643 121.745 119.070 0.052 0.000 2.290 206 H HA -0.016 4.078 4.556 -0.770 0.000 0.298 206 H C 0.360 175.692 175.328 0.007 0.000 1.087 206 H CA 1.612 57.679 56.048 0.033 0.000 1.291 206 H CB 0.288 30.072 29.762 0.038 0.000 1.369 206 H HN 0.373 nan 8.280 nan 0.000 0.492 207 I N 0.326 120.915 120.570 0.031 0.000 2.440 207 I HA 0.344 4.052 4.170 -0.770 0.000 0.294 207 I C 1.129 177.221 176.117 -0.042 0.000 0.995 207 I CA 0.224 61.479 61.300 -0.076 0.000 1.306 207 I CB 1.986 39.914 38.000 -0.120 0.000 1.407 207 I HN 0.425 nan 8.210 nan 0.000 0.501 208 G N 2.570 111.344 108.800 -0.044 0.000 3.420 208 G HA2 0.197 3.695 3.960 -0.770 0.000 0.183 208 G HA3 0.197 3.695 3.960 -0.770 0.000 0.183 208 G C 0.055 174.955 174.900 0.000 0.000 1.315 208 G CA 0.016 45.124 45.100 0.013 0.000 0.958 208 G HN 0.582 nan 8.290 nan 0.000 0.745 209 C N 0.106 119.427 119.300 0.034 0.000 3.559 209 C HA 0.429 4.428 4.460 -0.770 0.000 0.314 209 C C 1.680 176.731 174.990 0.103 0.000 1.419 209 C CA -0.101 58.963 59.018 0.078 0.000 1.775 209 C CB 0.143 27.924 27.740 0.068 0.000 2.430 209 C HN 0.687 nan 8.230 nan 0.000 0.686 210 E N 1.494 121.722 120.200 0.046 0.000 2.474 210 E HA 0.066 3.955 4.350 -0.770 0.000 0.195 210 E C 1.120 177.719 176.600 -0.002 0.000 1.039 210 E CA 0.081 56.504 56.400 0.038 0.000 0.881 210 E CB 0.098 29.819 29.700 0.035 0.000 0.970 210 E HN 0.570 nan 8.360 nan 0.000 0.486 211 N N -0.412 118.269 118.700 -0.033 0.000 2.392 211 N HA -0.026 4.252 4.740 -0.770 0.000 0.177 211 N C 1.041 176.504 175.510 -0.079 0.000 1.066 211 N CA 0.569 53.583 53.050 -0.059 0.000 0.895 211 N CB 0.400 38.836 38.487 -0.085 0.000 0.988 211 N HN 0.198 nan 8.380 nan 0.000 0.457 212 C N -0.226 119.007 119.300 -0.111 0.000 3.019 212 C HA 0.260 4.258 4.460 -0.770 0.000 0.295 212 C C 0.608 175.376 174.990 -0.371 0.000 1.256 212 C CA -0.365 58.516 59.018 -0.229 0.000 1.706 212 C CB -0.467 27.108 27.740 -0.274 0.000 2.153 212 C HN 0.311 nan 8.230 nan 0.000 0.618 213 H N 0.991 120.053 119.070 -0.014 0.000 2.569 213 H HA 0.254 4.348 4.556 -0.770 0.000 0.357 213 H C -0.866 174.441 175.328 -0.035 0.000 1.153 213 H CA -0.371 55.660 56.048 -0.028 0.000 1.193 213 H CB 0.883 30.616 29.762 -0.047 0.000 1.602 213 H HN 0.201 nan 8.280 nan 0.000 0.523 214 D N 1.010 121.460 120.400 0.083 0.000 2.472 214 D HA -0.092 4.086 4.640 -0.770 0.000 0.237 214 D C 1.094 177.406 176.300 0.021 0.000 1.141 214 D CA 0.326 54.345 54.000 0.032 0.000 0.875 214 D CB 1.006 41.812 40.800 0.011 0.000 1.192 214 D HN 0.644 nan 8.370 nan 0.000 0.450 215 S N 2.247 117.961 115.700 0.023 0.000 2.507 215 S HA -0.021 3.987 4.470 -0.770 0.000 0.235 215 S C 0.795 175.407 174.600 0.020 0.000 0.988 215 S CA 0.463 58.680 58.200 0.029 0.000 0.944 215 S CB 0.217 63.442 63.200 0.042 0.000 0.762 215 S HN 0.496 nan 8.310 nan 0.000 0.526 216 A N 2.244 125.064 122.820 -0.000 0.000 3.165 216 A HA 0.575 4.434 4.320 -0.770 0.000 0.331 216 A C -1.623 175.910 177.584 -0.084 0.000 1.034 216 A CA -1.218 50.819 52.037 0.000 0.000 0.906 216 A CB 0.694 19.720 19.000 0.044 0.000 1.054 216 A HN 0.384 nan 8.150 nan 0.000 0.484 217 P HA -0.007 nan 4.420 nan 0.000 0.241 217 P C -0.143 176.965 177.300 -0.321 0.000 1.191 217 P CA 0.671 63.586 63.100 -0.308 0.000 0.771 217 P CB -0.111 31.331 31.700 -0.430 0.000 0.929 218 H N -0.436 118.657 119.070 0.037 0.000 2.467 218 H HA 0.250 4.345 4.556 -0.770 0.000 0.331 218 H C 1.610 176.956 175.328 0.029 0.000 1.120 218 H CA -0.270 55.797 56.048 0.032 0.000 1.270 218 H CB 1.140 30.921 29.762 0.032 0.000 1.466 218 H HN -0.113 nan 8.280 nan 0.000 0.504 219 S N 1.464 117.244 115.700 0.133 0.000 2.406 219 S HA -0.161 3.847 4.470 -0.770 0.000 0.228 219 S C 1.115 175.766 174.600 0.086 0.000 1.020 219 S CA 0.392 58.642 58.200 0.084 0.000 0.965 219 S CB -0.173 63.062 63.200 0.059 0.000 0.798 219 S HN 0.631 nan 8.310 nan 0.000 0.488 220 N N 2.758 121.516 118.700 0.096 0.000 2.416 220 N HA 0.063 4.341 4.740 -0.770 0.000 0.265 220 N C 0.718 176.275 175.510 0.079 0.000 1.195 220 N CA -0.009 53.077 53.050 0.059 0.000 0.943 220 N CB 0.763 39.258 38.487 0.013 0.000 1.115 220 N HN 0.422 nan 8.380 nan 0.000 0.481 221 K N 3.476 123.917 120.400 0.070 0.000 2.283 221 K HA -0.160 3.698 4.320 -0.770 0.000 0.202 221 K C 1.176 177.833 176.600 0.095 0.000 1.048 221 K CA 1.027 57.364 56.287 0.084 0.000 0.948 221 K CB 0.175 32.713 32.500 0.063 0.000 0.742 221 K HN 0.362 nan 8.250 nan 0.000 0.458 222 K N 1.257 121.703 120.400 0.076 0.000 2.155 222 K HA -0.022 3.836 4.320 -0.770 0.000 0.203 222 K C 1.917 178.622 176.600 0.175 0.000 1.052 222 K CA 0.943 57.300 56.287 0.117 0.000 0.948 222 K CB -0.126 32.423 32.500 0.081 0.000 0.728 222 K HN 0.196 nan 8.250 nan 0.000 0.448 223 L N 0.629 121.864 121.223 0.020 0.000 2.072 223 L HA -0.138 3.740 4.340 -0.770 0.000 0.205 223 L C 1.814 178.742 176.870 0.097 0.000 1.079 223 L CA 1.039 55.796 54.840 -0.138 0.000 0.752 223 L CB -0.630 41.094 42.059 -0.559 0.000 0.906 223 L HN 0.216 nan 8.230 nan 0.000 0.436 224 N N -0.427 118.424 118.700 0.251 0.000 2.104 224 N HA -0.217 4.061 4.740 -0.770 0.000 0.190 224 N C 1.958 177.591 175.510 0.205 0.000 1.024 224 N CA 2.032 55.249 53.050 0.279 0.000 0.853 224 N CB -0.800 37.808 38.487 0.202 0.000 1.008 224 N HN 0.360 nan 8.380 nan 0.000 0.424 225 T N -0.312 114.352 114.554 0.183 0.000 2.881 225 T HA -0.150 3.739 4.350 -0.770 0.000 0.270 225 T C 1.460 176.242 174.700 0.137 0.000 1.068 225 T CA 1.216 63.396 62.100 0.134 0.000 1.131 225 T CB -0.286 68.626 68.868 0.073 0.000 0.871 225 T HN 0.265 nan 8.240 nan 0.000 0.479 226 H N 0.989 120.106 119.070 0.079 0.000 2.491 226 H HA 0.056 4.150 4.556 -0.770 0.000 0.290 226 H C 2.637 178.021 175.328 0.093 0.000 1.050 226 H CA 1.874 57.970 56.048 0.080 0.000 1.309 226 H CB -0.404 29.377 29.762 0.031 0.000 1.392 226 H HN 0.622 nan 8.280 nan 0.000 0.554 227 T N -2.722 111.965 114.554 0.221 0.000 3.072 227 T HA 0.031 3.919 4.350 -0.770 0.000 0.266 227 T C 2.138 176.931 174.700 0.155 0.000 1.127 227 T CA 0.607 62.808 62.100 0.169 0.000 1.107 227 T CB -0.238 68.728 68.868 0.164 0.000 0.910 227 T HN 0.346 nan 8.240 nan 0.000 0.513 228 A N 0.705 123.629 122.820 0.173 0.000 2.168 228 A HA 0.150 4.008 4.320 -0.770 0.000 0.215 228 A C 2.267 180.043 177.584 0.319 0.000 1.152 228 A CA 1.348 53.510 52.037 0.209 0.000 0.716 228 A CB -0.580 18.530 19.000 0.183 0.000 0.794 228 A HN 0.543 nan 8.150 nan 0.000 0.465 229 T N -2.012 112.698 114.554 0.259 0.000 2.989 229 T HA 0.258 4.146 4.350 -0.770 0.000 0.250 229 T C 0.032 174.772 174.700 0.067 0.000 0.981 229 T CA 0.257 62.497 62.100 0.234 0.000 0.980 229 T CB 0.478 69.533 68.868 0.312 0.000 1.133 229 T HN -0.033 nan 8.240 nan 0.000 0.489 230 V N 2.608 122.553 119.914 0.052 0.000 2.384 230 V HA 0.765 4.423 4.120 -0.770 0.000 0.287 230 V C 0.188 176.218 176.094 -0.107 0.000 1.020 230 V CA -1.530 60.736 62.300 -0.057 0.000 0.850 230 V CB 0.985 32.798 31.823 -0.016 0.000 0.987 230 V HN 0.466 nan 8.190 nan 0.000 0.436 231 A N 3.338 125.982 122.820 -0.294 0.000 2.483 231 A HA 0.167 4.025 4.320 -0.770 0.000 0.238 231 A C 1.490 178.940 177.584 -0.223 0.000 1.070 231 A CA 0.085 51.846 52.037 -0.460 0.000 0.770 231 A CB 0.026 18.275 19.000 -1.252 0.000 1.008 231 A HN 1.064 nan 8.150 nan 0.000 0.497 232 C N 0.656 119.894 119.300 -0.102 0.000 2.398 232 C HA -0.177 3.821 4.460 -0.770 0.000 0.276 232 C C 2.623 177.654 174.990 0.069 0.000 1.222 232 C CA 1.309 60.362 59.018 0.060 0.000 1.746 232 C CB -1.573 26.207 27.740 0.068 0.000 2.039 232 C HN 0.999 nan 8.230 nan 0.000 0.470 233 Q N 0.621 120.406 119.800 -0.024 0.000 2.152 233 Q HA -0.150 3.728 4.340 -0.770 0.000 0.206 233 Q C 2.257 178.261 176.000 0.006 0.000 0.985 233 Q CA 2.307 58.115 55.803 0.009 0.000 0.863 233 Q CB -0.639 28.094 28.738 -0.009 0.000 0.904 233 Q HN 0.693 nan 8.270 nan 0.000 0.422 234 T N -0.513 114.008 114.554 -0.056 0.000 2.652 234 T HA -0.200 3.688 4.350 -0.770 0.000 0.267 234 T C 1.877 176.521 174.700 -0.093 0.000 1.039 234 T CA 1.479 63.568 62.100 -0.017 0.000 1.153 234 T CB -0.528 68.271 68.868 -0.115 0.000 0.863 234 T HN 0.416 nan 8.240 nan 0.000 0.428 235 C N 0.448 119.634 119.300 -0.190 0.000 2.450 235 C HA 0.016 4.014 4.460 -0.770 0.000 0.279 235 C C 2.371 177.147 174.990 -0.357 0.000 1.335 235 C CA 0.102 58.918 59.018 -0.337 0.000 1.749 235 C CB -1.067 26.387 27.740 -0.477 0.000 1.963 235 C HN 0.598 nan 8.230 nan 0.000 0.501 236 H N -0.431 118.616 119.070 -0.038 0.000 2.622 236 H HA 0.338 4.432 4.556 -0.770 0.000 0.269 236 H C 0.511 175.845 175.328 0.011 0.000 0.977 236 H CA 0.590 56.629 56.048 -0.015 0.000 1.179 236 H CB 0.272 30.027 29.762 -0.011 0.000 1.458 236 H HN 0.435 nan 8.280 nan 0.000 0.531 237 I N 3.029 123.658 120.570 0.099 0.000 2.692 237 I HA 0.144 3.852 4.170 -0.770 0.000 0.285 237 I C -1.757 174.389 176.117 0.048 0.000 1.191 237 I CA -1.463 59.897 61.300 0.099 0.000 1.128 237 I CB 1.597 39.661 38.000 0.106 0.000 1.585 237 I HN -0.158 nan 8.210 nan 0.000 0.558 238 P HA 0.003 nan 4.420 nan 0.000 0.223 238 P C -0.047 176.895 177.300 -0.596 0.000 1.151 238 P CA 1.228 64.147 63.100 -0.301 0.000 0.787 238 P CB 0.148 31.667 31.700 -0.301 0.000 0.788 239 F N -0.849 119.139 119.950 0.064 0.000 2.619 239 F HA 0.416 4.481 4.527 -0.771 0.000 0.308 239 F C 0.168 176.029 175.800 0.103 0.000 1.097 239 F CA -1.312 56.692 58.000 0.006 0.000 0.953 239 F CB 1.353 40.318 39.000 -0.058 0.000 1.287 239 F HN -0.245 nan 8.300 nan 0.000 0.446 240 F N 0.218 120.283 119.950 0.192 0.000 2.712 240 F HA 0.826 4.890 4.527 -0.771 0.000 0.367 240 F C 0.529 176.371 175.800 0.072 0.000 1.132 240 F CA -1.449 56.614 58.000 0.105 0.000 1.066 240 F CB 0.836 39.877 39.000 0.068 0.000 1.416 240 F HN 0.783 nan 8.300 nan 0.000 0.515 241 A N 0.783 123.751 122.820 0.246 0.000 2.640 241 A HA -0.292 3.567 4.320 -0.770 0.000 0.300 241 A C 1.171 178.715 177.584 -0.067 0.000 1.499 241 A CA 1.281 53.348 52.037 0.050 0.000 0.759 241 A CB -2.497 16.501 19.000 -0.004 0.000 1.048 241 A HN 0.858 nan 8.150 nan 0.000 0.450 242 K N -0.642 119.739 120.400 -0.033 0.000 2.147 242 K HA -0.125 3.733 4.320 -0.770 0.000 0.205 242 K C 1.388 177.919 176.600 -0.115 0.000 1.049 242 K CA 1.595 57.834 56.287 -0.080 0.000 0.936 242 K CB -0.097 32.383 32.500 -0.032 0.000 0.722 242 K HN 0.735 nan 8.250 nan 0.000 0.446 243 N N -0.109 118.525 118.700 -0.109 0.000 2.273 243 N HA 0.030 4.308 4.740 -0.770 0.000 0.192 243 N C -0.572 174.845 175.510 -0.154 0.000 1.132 243 N CA 0.286 53.264 53.050 -0.120 0.000 0.887 243 N CB 1.194 39.620 38.487 -0.103 0.000 1.048 243 N HN 0.135 nan 8.380 nan 0.000 0.490 244 E N 0.222 120.318 120.200 -0.174 0.000 2.354 244 E HA 0.334 4.223 4.350 -0.770 0.000 0.283 244 E C -2.904 173.573 176.600 -0.204 0.000 0.938 244 E CA -1.825 54.452 56.400 -0.205 0.000 0.777 244 E CB 2.366 31.980 29.700 -0.142 0.000 1.222 244 E HN -0.177 nan 8.360 nan 0.000 0.423 245 P HA 0.071 nan 4.420 nan 0.000 0.266 245 P C -1.033 176.382 177.300 0.192 0.000 1.195 245 P CA 0.002 63.025 63.100 -0.128 0.000 0.768 245 P CB 0.659 32.222 31.700 -0.229 0.000 0.838 246 T N -0.029 114.684 114.554 0.265 0.000 2.940 246 T HA 0.429 4.317 4.350 -0.770 0.000 0.288 246 T C -0.323 174.439 174.700 0.104 0.000 1.033 246 T CA -1.164 61.084 62.100 0.247 0.000 1.033 246 T CB 1.362 70.328 68.868 0.162 0.000 1.079 246 T HN 0.193 nan 8.240 nan 0.000 0.496 247 K N 1.187 121.391 120.400 -0.327 0.000 2.339 247 K HA 0.225 4.083 4.320 -0.770 0.000 0.286 247 K C 0.525 177.065 176.600 -0.100 0.000 1.050 247 K CA -0.592 55.269 56.287 -0.711 0.000 0.956 247 K CB 0.397 32.360 32.500 -0.894 0.000 0.990 247 K HN 0.493 nan 8.250 nan 0.000 0.475 248 M N 2.093 121.659 119.600 -0.056 0.000 2.571 248 M HA 0.086 4.105 4.480 -0.770 0.000 0.259 248 M C -0.152 176.154 176.300 0.009 0.000 1.205 248 M CA 0.965 56.325 55.300 0.101 0.000 1.138 248 M CB 0.330 32.959 32.600 0.047 0.000 1.329 248 M HN 0.585 nan 8.290 nan 0.000 0.503 249 Q N -0.824 118.933 119.800 -0.072 0.000 2.345 249 Q HA 0.340 4.218 4.340 -0.770 0.000 0.275 249 Q C -1.652 174.374 176.000 0.044 0.000 1.063 249 Q CA -0.498 55.195 55.803 -0.182 0.000 0.819 249 Q CB 2.838 31.526 28.738 -0.084 0.000 1.356 249 Q HN 0.186 nan 8.270 nan 0.000 0.418 250 W N 3.381 124.559 121.300 -0.203 0.000 2.591 250 W HA 0.272 4.485 4.660 -0.745 0.000 0.311 250 W C -1.591 174.869 176.519 -0.098 0.000 1.003 250 W CA -0.811 56.525 57.345 -0.015 0.000 1.332 250 W CB 1.196 30.686 29.460 0.050 0.000 1.272 250 W HN 0.631 nan 8.180 nan 0.000 0.412 251 D N 3.647 124.202 120.400 0.258 0.000 2.428 251 D HA 0.105 4.283 4.640 -0.770 0.000 0.221 251 D C 0.609 177.031 176.300 0.203 0.000 1.123 251 D CA -0.230 53.870 54.000 0.166 0.000 0.869 251 D CB 0.379 41.213 40.800 0.057 0.000 1.032 251 D HN 0.430 nan 8.370 nan 0.000 0.506 252 W N 2.014 123.420 121.300 0.176 0.000 2.595 252 W HA -0.117 4.111 4.660 -0.720 0.000 0.257 252 W C 2.554 178.896 176.519 -0.295 0.000 1.267 252 W CA 0.686 58.121 57.345 0.150 0.000 1.300 252 W CB 0.096 29.641 29.460 0.142 0.000 1.120 252 W HN 0.468 nan 8.180 nan 0.000 0.618 253 S N -0.728 114.677 115.700 -0.491 0.000 2.399 253 S HA -0.207 3.801 4.470 -0.770 0.000 0.231 253 S C 1.702 176.050 174.600 -0.420 0.000 1.022 253 S CA 1.706 59.166 58.200 -1.234 0.000 0.983 253 S CB -1.254 61.511 63.200 -0.725 0.000 0.803 253 S HN 0.290 nan 8.310 nan 0.000 0.480 254 T N -0.122 114.389 114.554 -0.072 0.000 3.148 254 T HA 0.534 4.423 4.350 -0.770 0.000 0.253 254 T C 0.724 175.629 174.700 0.342 0.000 1.134 254 T CA 0.201 62.377 62.100 0.127 0.000 1.051 254 T CB -0.562 68.397 68.868 0.151 0.000 0.959 254 T HN 0.619 nan 8.240 nan 0.000 0.525 255 A N 0.474 123.528 122.820 0.391 0.000 2.466 255 A HA 0.539 4.398 4.320 -0.770 0.000 0.238 255 A C 1.672 179.614 177.584 0.597 0.000 1.074 255 A CA 0.209 52.573 52.037 0.545 0.000 0.774 255 A CB -0.879 18.618 19.000 0.828 0.000 1.015 255 A HN 1.439 nan 8.150 nan 0.000 0.498 256 G N 0.597 109.674 108.800 0.462 0.000 2.176 256 G HA2 -0.142 3.356 3.960 -0.770 0.000 0.232 256 G HA3 -0.142 3.356 3.960 -0.770 0.000 0.232 256 G C -0.202 174.731 174.900 0.055 0.000 0.986 256 G CA 0.301 45.541 45.100 0.234 0.000 0.643 256 G HN 0.815 nan 8.290 nan 0.000 0.522 257 D N 0.318 120.809 120.400 0.152 0.000 2.277 257 D HA 0.493 4.671 4.640 -0.770 0.000 0.250 257 D C 0.198 176.513 176.300 0.026 0.000 1.032 257 D CA -0.562 53.475 54.000 0.061 0.000 0.947 257 D CB 0.971 41.788 40.800 0.029 0.000 1.159 257 D HN 0.047 nan 8.370 nan 0.000 0.460 258 D N 0.256 120.639 120.400 -0.029 0.000 2.395 258 D HA 0.003 4.181 4.640 -0.770 0.000 0.226 258 D C 0.464 176.747 176.300 -0.028 0.000 1.146 258 D CA -0.071 53.910 54.000 -0.032 0.000 0.830 258 D CB 0.488 41.256 40.800 -0.052 0.000 0.958 258 D HN 0.372 nan 8.370 nan 0.000 0.501 259 K N 0.986 121.348 120.400 -0.064 0.000 2.276 259 K HA 0.312 4.171 4.320 -0.770 0.000 0.259 259 K C -2.590 173.982 176.600 -0.047 0.000 1.001 259 K CA -1.286 54.935 56.287 -0.109 0.000 0.927 259 K CB -0.181 32.174 32.500 -0.242 0.000 0.969 259 K HN -0.293 nan 8.250 nan 0.000 0.490 260 P HA -0.024 nan 4.420 nan 0.000 0.265 260 P C -1.022 176.349 177.300 0.119 0.000 1.193 260 P CA 0.120 63.239 63.100 0.032 0.000 0.765 260 P CB 0.329 32.037 31.700 0.013 0.000 0.823 261 E N 1.452 121.749 120.200 0.163 0.000 1.979 261 E HA 0.077 3.965 4.350 -0.770 0.000 0.285 261 E C 0.340 177.122 176.600 0.303 0.000 1.188 261 E CA -0.216 56.320 56.400 0.227 0.000 1.214 261 E CB -0.357 29.354 29.700 0.019 0.000 1.210 261 E HN 0.508 nan 8.360 nan 0.000 0.477 262 T N -1.482 113.218 114.554 0.244 0.000 2.856 262 T HA 0.172 4.060 4.350 -0.770 0.000 0.329 262 T C 0.577 175.375 174.700 0.164 0.000 1.094 262 T CA -0.749 61.451 62.100 0.166 0.000 1.112 262 T CB 0.908 69.840 68.868 0.107 0.000 1.009 262 T HN 0.109 nan 8.240 nan 0.000 0.550 263 V N -1.651 118.284 119.914 0.034 0.000 2.914 263 V HA 0.555 4.214 4.120 -0.770 0.000 0.314 263 V C -0.059 176.006 176.094 -0.049 0.000 1.084 263 V CA -1.361 60.895 62.300 -0.074 0.000 0.963 263 V CB 1.837 33.538 31.823 -0.205 0.000 1.025 263 V HN 0.978 nan 8.190 nan 0.000 0.432 264 D N 1.448 121.806 120.400 -0.069 0.000 2.362 264 D HA 0.061 4.239 4.640 -0.770 0.000 0.238 264 D C 1.343 177.551 176.300 -0.153 0.000 1.212 264 D CA 0.439 54.398 54.000 -0.068 0.000 0.902 264 D CB 1.211 41.965 40.800 -0.076 0.000 1.180 264 D HN 0.817 nan 8.370 nan 0.000 0.445 265 Q N 0.763 120.413 119.800 -0.250 0.000 2.268 265 Q HA -0.247 3.631 4.340 -0.770 0.000 0.213 265 Q C 0.930 176.681 176.000 -0.415 0.000 0.995 265 Q CA 1.750 57.301 55.803 -0.421 0.000 0.901 265 Q CB -0.330 27.973 28.738 -0.725 0.000 0.921 265 Q HN 0.589 nan 8.270 nan 0.000 0.421 266 Y N -0.965 119.253 120.300 -0.138 0.000 2.607 266 Y HA 0.385 4.472 4.550 -0.771 0.000 0.266 266 Y C 1.331 177.090 175.900 -0.235 0.000 1.178 266 Y CA -0.233 57.763 58.100 -0.174 0.000 1.226 266 Y CB 1.012 39.354 38.460 -0.197 0.000 1.144 266 Y HN 0.212 nan 8.280 nan 0.000 0.528 267 G N 0.457 109.180 108.800 -0.129 0.000 2.155 267 G HA2 -0.269 3.229 3.960 -0.770 0.000 0.257 267 G HA3 -0.269 3.229 3.960 -0.770 0.000 0.257 267 G C 0.114 174.808 174.900 -0.342 0.000 0.983 267 G CA -0.148 44.826 45.100 -0.210 0.000 0.676 267 G HN 0.123 nan 8.290 nan 0.000 0.528 268 K N 0.805 120.957 120.400 -0.414 0.000 2.218 268 K HA 0.318 4.176 4.320 -0.770 0.000 0.276 268 K C 0.338 176.728 176.600 -0.350 0.000 1.022 268 K CA -0.713 55.190 56.287 -0.640 0.000 0.946 268 K CB 0.522 32.116 32.500 -1.510 0.000 1.000 268 K HN 0.351 nan 8.250 nan 0.000 0.468 269 H N 1.722 120.777 119.070 -0.024 0.000 2.886 269 H HA -0.013 4.081 4.556 -0.769 0.000 0.329 269 H C 1.075 176.665 175.328 0.437 0.000 1.044 269 H CA 0.601 56.763 56.048 0.191 0.000 1.456 269 H CB 0.668 30.546 29.762 0.192 0.000 1.464 269 H HN 0.621 nan 8.280 nan 0.000 0.573 270 T N 0.405 115.198 114.554 0.398 0.000 3.037 270 T HA -0.005 3.883 4.350 -0.770 0.000 0.251 270 T C 0.292 175.087 174.700 0.158 0.000 1.079 270 T CA 0.144 62.455 62.100 0.350 0.000 1.067 270 T CB 0.217 69.229 68.868 0.239 0.000 0.948 270 T HN 0.435 nan 8.240 nan 0.000 0.496 271 Y N 1.268 121.580 120.300 0.019 0.000 2.421 271 Y HA 0.594 4.679 4.550 -0.775 0.000 0.339 271 Y C -1.344 174.461 175.900 -0.158 0.000 0.996 271 Y CA -1.253 56.755 58.100 -0.153 0.000 1.046 271 Y CB 1.793 40.205 38.460 -0.080 0.000 1.226 271 Y HN 0.053 nan 8.280 nan 0.000 0.445 272 Q N 4.950 124.017 119.800 -1.221 0.000 2.345 272 Q HA 0.264 4.142 4.340 -0.770 0.000 0.275 272 Q C 0.196 175.586 176.000 -1.017 0.000 1.063 272 Q CA -0.925 54.363 55.803 -0.858 0.000 0.819 272 Q CB 2.888 31.353 28.738 -0.454 0.000 1.356 272 Q HN 0.825 nan 8.270 nan 0.000 0.418 273 K N 1.865 121.971 120.400 -0.490 0.000 2.063 273 K HA -0.147 3.711 4.320 -0.770 0.000 0.208 273 K C 1.079 177.735 176.600 0.092 0.000 1.048 273 K CA 1.548 57.734 56.287 -0.168 0.000 0.928 273 K CB 0.251 32.669 32.500 -0.138 0.000 0.713 273 K HN 0.385 nan 8.250 nan 0.000 0.442 274 K N -0.128 120.373 120.400 0.170 0.000 2.288 274 K HA -0.085 3.773 4.320 -0.770 0.000 0.201 274 K C 1.469 178.488 176.600 0.699 0.000 1.048 274 K CA 1.141 57.750 56.287 0.536 0.000 0.956 274 K CB 0.216 32.729 32.500 0.023 0.000 0.746 274 K HN 0.141 nan 8.250 nan 0.000 0.461 275 K N -1.537 119.011 120.400 0.247 0.000 2.511 275 K HA 0.145 4.003 4.320 -0.770 0.000 0.209 275 K C 0.425 176.948 176.600 -0.129 0.000 1.301 275 K CA 0.303 56.671 56.287 0.134 0.000 0.967 275 K CB 1.848 34.383 32.500 0.058 0.000 1.109 275 K HN 0.209 nan 8.250 nan 0.000 0.561 276 G N 1.512 110.088 108.800 -0.372 0.000 2.378 276 G HA2 -0.172 3.327 3.960 -0.770 0.000 0.198 276 G HA3 -0.172 3.327 3.960 -0.770 0.000 0.198 276 G C -1.495 173.015 174.900 -0.650 0.000 1.223 276 G CA -0.872 44.062 45.100 -0.276 0.000 1.088 276 G HN 0.079 nan 8.290 nan 0.000 0.530 277 N N 0.076 118.558 118.700 -0.363 0.000 2.473 277 N HA 0.700 4.978 4.740 -0.770 0.000 0.291 277 N C -0.914 174.307 175.510 -0.482 0.000 1.083 277 N CA 0.039 52.875 53.050 -0.356 0.000 0.951 277 N CB 1.120 39.586 38.487 -0.035 0.000 1.164 277 N HN 0.347 nan 8.380 nan 0.000 0.480 278 F N 0.132 120.028 119.950 -0.090 0.000 2.561 278 F HA 0.532 4.595 4.527 -0.773 0.000 0.321 278 F C 0.114 175.871 175.800 -0.073 0.000 1.065 278 F CA -1.138 56.746 58.000 -0.193 0.000 0.934 278 F CB 1.756 40.605 39.000 -0.251 0.000 1.215 278 F HN -0.067 nan 8.300 nan 0.000 0.471 279 V N 1.131 121.065 119.914 0.033 0.000 2.588 279 V HA 0.338 3.997 4.120 -0.770 0.000 0.304 279 V C -1.279 174.765 176.094 -0.083 0.000 1.042 279 V CA -0.973 61.370 62.300 0.072 0.000 0.877 279 V CB 1.599 33.456 31.823 0.057 0.000 0.996 279 V HN 0.655 nan 8.190 nan 0.000 0.425 280 W N 1.913 123.279 121.300 0.111 0.000 2.639 280 W HA 0.772 4.974 4.660 -0.763 0.000 0.347 280 W C 0.086 176.663 176.519 0.096 0.000 1.067 280 W CA -0.391 57.006 57.345 0.086 0.000 1.218 280 W CB 1.435 30.948 29.460 0.088 0.000 1.393 280 W HN 0.495 nan 8.180 nan 0.000 0.557 281 E N 1.895 122.268 120.200 0.288 0.000 2.343 281 E HA 0.318 4.207 4.350 -0.770 0.000 0.278 281 E C -1.423 175.194 176.600 0.028 0.000 0.910 281 E CA -0.852 55.643 56.400 0.158 0.000 0.757 281 E CB 2.127 31.873 29.700 0.077 0.000 1.218 281 E HN 0.347 nan 8.360 nan 0.000 0.435 282 K N 3.023 123.396 120.400 -0.046 0.000 2.267 282 K HA 0.429 4.287 4.320 -0.770 0.000 0.246 282 K C -0.665 175.842 176.600 -0.155 0.000 0.954 282 K CA -0.757 55.423 56.287 -0.178 0.000 0.824 282 K CB 1.132 33.417 32.500 -0.358 0.000 1.167 282 K HN 0.616 nan 8.250 nan 0.000 0.431 283 M N 1.792 121.269 119.600 -0.205 0.000 2.691 283 M HA -0.150 3.868 4.480 -0.770 0.000 0.185 283 M C -2.009 174.218 176.300 -0.121 0.000 0.998 283 M CA 0.347 55.502 55.300 -0.242 0.000 0.632 283 M CB -1.096 31.295 32.600 -0.349 0.000 1.219 283 M HN 0.196 nan 8.290 nan 0.000 0.829 284 V N 2.844 122.582 119.914 -0.293 0.000 2.394 284 V HA 0.380 4.038 4.120 -0.770 0.000 0.282 284 V C 0.814 176.696 176.094 -0.354 0.000 1.031 284 V CA -0.774 61.244 62.300 -0.470 0.000 0.881 284 V CB 1.847 33.027 31.823 -1.072 0.000 0.982 284 V HN 0.448 nan 8.190 nan 0.000 0.451 285 K N 5.458 125.801 120.400 -0.095 0.000 2.298 285 K HA 0.332 4.190 4.320 -0.770 0.000 0.280 285 K C -2.464 174.109 176.600 -0.046 0.000 1.032 285 K CA -1.298 54.910 56.287 -0.132 0.000 0.958 285 K CB 0.496 32.936 32.500 -0.100 0.000 0.978 285 K HN 0.413 nan 8.250 nan 0.000 0.472 286 P HA -0.009 nan 4.420 nan 0.000 0.272 286 P C -0.778 176.233 177.300 -0.481 0.000 1.230 286 P CA -0.225 62.829 63.100 -0.076 0.000 0.788 286 P CB 0.567 32.114 31.700 -0.255 0.000 0.949 287 Q N 1.075 120.652 119.800 -0.372 0.000 2.259 287 Q HA 0.274 4.152 4.340 -0.770 0.000 0.246 287 Q C -0.709 175.064 176.000 -0.379 0.000 0.920 287 Q CA 0.009 55.603 55.803 -0.348 0.000 0.895 287 Q CB 0.551 29.158 28.738 -0.218 0.000 1.220 287 Q HN 0.464 nan 8.270 nan 0.000 0.439 288 Y N -0.305 120.112 120.300 0.194 0.000 2.387 288 Y HA 0.642 4.732 4.550 -0.768 0.000 0.336 288 Y C 0.053 176.079 175.900 0.210 0.000 1.067 288 Y CA -0.799 57.413 58.100 0.186 0.000 1.114 288 Y CB 2.051 40.489 38.460 -0.036 0.000 1.208 288 Y HN 0.666 nan 8.280 nan 0.000 0.458 289 A N 1.763 124.812 122.820 0.383 0.000 2.574 289 A HA 0.526 4.385 4.320 -0.770 0.000 0.297 289 A C -1.915 175.750 177.584 0.135 0.000 1.062 289 A CA -1.042 51.062 52.037 0.111 0.000 0.686 289 A CB 0.515 19.358 19.000 -0.262 0.000 1.285 289 A HN 0.828 nan 8.150 nan 0.000 0.403 290 W N 0.727 122.142 121.300 0.192 0.000 2.409 290 W HA 0.304 4.501 4.660 -0.771 0.000 0.338 290 W C -0.167 176.509 176.519 0.262 0.000 1.273 290 W CA 1.450 58.919 57.345 0.207 0.000 1.299 290 W CB 0.150 29.680 29.460 0.118 0.000 1.192 290 W HN 0.627 nan 8.180 nan 0.000 0.565 291 Y N 4.548 125.118 120.300 0.450 0.000 2.396 291 Y HA 0.199 4.287 4.550 -0.769 0.000 0.332 291 Y C 0.111 176.143 175.900 0.220 0.000 1.034 291 Y CA -2.011 56.233 58.100 0.240 0.000 1.057 291 Y CB 0.852 39.403 38.460 0.151 0.000 1.220 291 Y HN 0.479 nan 8.280 nan 0.000 0.440 292 N N 2.585 121.130 118.700 -0.259 0.000 2.234 292 N HA 0.329 4.607 4.740 -0.770 0.000 0.227 292 N C 0.988 176.183 175.510 -0.525 0.000 1.151 292 N CA 0.313 53.202 53.050 -0.269 0.000 0.865 292 N CB 0.943 39.382 38.487 -0.080 0.000 1.066 292 N HN 1.052 nan 8.380 nan 0.000 0.515 293 G N -0.622 107.418 108.800 -1.266 0.000 2.234 293 G HA2 -0.266 3.233 3.960 -0.770 0.000 0.235 293 G HA3 -0.266 3.233 3.960 -0.770 0.000 0.235 293 G C 0.114 174.793 174.900 -0.370 0.000 0.997 293 G CA 0.372 44.995 45.100 -0.794 0.000 0.623 293 G HN 0.834 nan 8.290 nan 0.000 0.514 294 T N -1.543 112.852 114.554 -0.266 0.000 2.940 294 T HA 0.936 4.824 4.350 -0.770 0.000 0.288 294 T C -0.212 174.561 174.700 0.122 0.000 1.033 294 T CA 0.361 62.449 62.100 -0.019 0.000 1.033 294 T CB 2.504 71.358 68.868 -0.022 0.000 1.079 294 T HN 1.856 nan 8.240 nan 0.000 0.496 295 A N 1.613 124.503 122.820 0.117 0.000 2.475 295 A HA 0.740 4.598 4.320 -0.770 0.000 0.301 295 A C -0.628 176.989 177.584 0.054 0.000 1.059 295 A CA -0.949 51.148 52.037 0.100 0.000 0.710 295 A CB 1.521 20.583 19.000 0.103 0.000 1.288 295 A HN 0.778 nan 8.150 nan 0.000 0.408 296 N N 0.170 118.901 118.700 0.053 0.000 2.515 296 N HA 0.732 5.011 4.740 -0.770 0.000 0.279 296 N C -0.510 175.023 175.510 0.039 0.000 1.164 296 N CA 0.451 53.527 53.050 0.044 0.000 0.982 296 N CB 1.639 40.156 38.487 0.049 0.000 1.170 296 N HN 1.007 nan 8.380 nan 0.000 0.474 297 A N 1.991 124.830 122.820 0.032 0.000 2.449 297 A HA 0.337 4.195 4.320 -0.770 0.000 0.302 297 A C -1.551 176.070 177.584 0.061 0.000 1.048 297 A CA -0.650 51.413 52.037 0.044 0.000 0.708 297 A CB 0.597 19.610 19.000 0.021 0.000 1.274 297 A HN 0.670 nan 8.150 nan 0.000 0.410 298 Y N 3.722 124.026 120.300 0.006 0.000 2.402 298 Y HA 0.501 4.603 4.550 -0.746 0.000 0.333 298 Y C -0.039 175.876 175.900 0.026 0.000 1.076 298 Y CA 0.186 58.304 58.100 0.030 0.000 1.299 298 Y CB 0.449 38.943 38.460 0.058 0.000 1.197 298 Y HN 0.576 nan 8.280 nan 0.000 0.517 299 M N 4.970 124.201 119.600 -0.615 0.000 2.664 299 M HA 0.500 4.518 4.480 -0.770 0.000 0.314 299 M C -0.171 175.839 176.300 -0.484 0.000 1.200 299 M CA -1.040 54.045 55.300 -0.359 0.000 0.916 299 M CB 1.500 33.974 32.600 -0.209 0.000 1.717 299 M HN 0.734 nan 8.290 nan 0.000 0.470 300 A N 0.567 123.300 122.820 -0.145 0.000 2.546 300 A HA 0.449 4.307 4.320 -0.770 0.000 0.243 300 A C 1.228 178.761 177.584 -0.084 0.000 1.063 300 A CA 1.015 53.033 52.037 -0.030 0.000 0.757 300 A CB -0.754 18.264 19.000 0.029 0.000 0.991 300 A HN 1.367 nan 8.150 nan 0.000 0.503 301 G N 2.060 110.851 108.800 -0.014 0.000 2.225 301 G HA2 -0.208 3.290 3.960 -0.770 0.000 0.254 301 G HA3 -0.208 3.290 3.960 -0.770 0.000 0.254 301 G C -0.013 174.845 174.900 -0.071 0.000 0.988 301 G CA 0.356 45.444 45.100 -0.020 0.000 0.625 301 G HN 0.851 nan 8.290 nan 0.000 0.527 302 D N 1.688 121.935 120.400 -0.255 0.000 2.414 302 D HA 0.374 4.553 4.640 -0.770 0.000 0.242 302 D C 0.987 177.302 176.300 0.024 0.000 1.129 302 D CA 0.231 54.089 54.000 -0.238 0.000 0.885 302 D CB 0.646 41.074 40.800 -0.621 0.000 1.198 302 D HN 0.226 nan 8.370 nan 0.000 0.437 303 K N 1.474 121.887 120.400 0.021 0.000 2.319 303 K HA 0.325 4.183 4.320 -0.770 0.000 0.265 303 K C 0.108 176.747 176.600 0.065 0.000 1.000 303 K CA -0.163 56.145 56.287 0.034 0.000 0.943 303 K CB 0.644 33.140 32.500 -0.006 0.000 0.950 303 K HN 0.410 nan 8.250 nan 0.000 0.485 304 M N -0.648 118.916 119.600 -0.059 0.000 2.779 304 M HA 0.394 4.413 4.480 -0.770 0.000 0.277 304 M C -1.200 174.964 176.300 -0.227 0.000 1.284 304 M CA -1.023 54.193 55.300 -0.140 0.000 0.801 304 M CB 0.891 33.297 32.600 -0.324 0.000 1.712 304 M HN 0.260 nan 8.290 nan 0.000 0.453 305 D N -0.422 119.836 120.400 -0.236 0.000 2.505 305 D HA 0.489 4.667 4.640 -0.770 0.000 0.250 305 D C -0.006 176.124 176.300 -0.284 0.000 1.164 305 D CA -0.226 53.641 54.000 -0.221 0.000 0.870 305 D CB 1.459 42.186 40.800 -0.123 0.000 1.160 305 D HN 0.763 nan 8.370 nan 0.000 0.549 306 S N 2.829 118.296 115.700 -0.389 0.000 2.555 306 S HA -0.112 3.896 4.470 -0.770 0.000 0.230 306 S C 1.358 175.867 174.600 -0.151 0.000 0.978 306 S CA 0.038 58.011 58.200 -0.379 0.000 0.934 306 S CB -0.211 62.685 63.200 -0.507 0.000 0.766 306 S HN 0.599 nan 8.310 nan 0.000 0.533 307 N N 0.796 119.435 118.700 -0.102 0.000 2.461 307 N HA 0.079 4.357 4.740 -0.770 0.000 0.188 307 N C -0.332 175.154 175.510 -0.041 0.000 1.134 307 N CA 0.188 53.209 53.050 -0.048 0.000 0.878 307 N CB 0.330 38.798 38.487 -0.031 0.000 0.972 307 N HN 0.254 nan 8.380 nan 0.000 0.456 308 V N 0.642 120.521 119.914 -0.059 0.000 3.074 308 V HA 0.311 3.969 4.120 -0.770 0.000 0.314 308 V C -0.268 175.807 176.094 -0.031 0.000 1.117 308 V CA -0.809 61.467 62.300 -0.040 0.000 1.014 308 V CB 2.468 34.263 31.823 -0.047 0.000 1.057 308 V HN -0.252 nan 8.190 nan 0.000 0.438 309 V N 2.519 122.426 119.914 -0.011 0.000 2.508 309 V HA 0.199 3.857 4.120 -0.770 0.000 0.281 309 V C 0.493 176.591 176.094 0.007 0.000 1.041 309 V CA 0.087 62.391 62.300 0.008 0.000 1.016 309 V CB 1.128 32.963 31.823 0.020 0.000 0.984 309 V HN 0.979 nan 8.190 nan 0.000 0.478 310 T N 6.226 120.800 114.554 0.033 0.000 2.780 310 T HA 0.285 4.173 4.350 -0.770 0.000 0.294 310 T C 0.041 174.762 174.700 0.035 0.000 0.949 310 T CA -0.547 61.581 62.100 0.047 0.000 1.074 310 T CB 0.467 69.421 68.868 0.143 0.000 0.910 310 T HN 0.558 nan 8.240 nan 0.000 0.501 311 K N 3.554 123.977 120.400 0.039 0.000 2.284 311 K HA 0.299 4.157 4.320 -0.770 0.000 0.287 311 K C 0.917 177.566 176.600 0.082 0.000 1.081 311 K CA -0.341 55.992 56.287 0.076 0.000 0.910 311 K CB 0.790 33.306 32.500 0.025 0.000 1.088 311 K HN 0.506 nan 8.250 nan 0.000 0.478 312 L N 1.480 122.730 121.223 0.045 0.000 2.179 312 L HA -0.055 3.823 4.340 -0.770 0.000 0.208 312 L C 1.150 178.049 176.870 0.049 0.000 1.096 312 L CA 0.901 55.760 54.840 0.032 0.000 0.779 312 L CB -0.243 41.764 42.059 -0.086 0.000 0.922 312 L HN 0.742 nan 8.230 nan 0.000 0.443 313 T N -4.109 110.459 114.554 0.023 0.000 2.864 313 T HA 0.535 4.423 4.350 -0.770 0.000 0.299 313 T C -1.454 173.285 174.700 0.064 0.000 1.166 313 T CA -0.648 61.452 62.100 0.001 0.000 1.007 313 T CB 2.655 71.440 68.868 -0.139 0.000 1.219 313 T HN -0.023 nan 8.240 nan 0.000 0.506 314 Y N 1.126 121.291 120.300 -0.225 0.000 2.409 314 Y HA 0.485 4.572 4.550 -0.771 0.000 0.321 314 Y C -2.952 172.697 175.900 -0.419 0.000 1.209 314 Y CA -1.733 56.054 58.100 -0.522 0.000 1.086 314 Y CB 2.194 40.380 38.460 -0.457 0.000 1.320 314 Y HN 0.638 nan 8.280 nan 0.000 0.440 315 P HA 0.172 nan 4.420 nan 0.000 0.276 315 P C -0.761 176.392 177.300 -0.244 0.000 1.230 315 P CA -0.050 62.728 63.100 -0.537 0.000 0.776 315 P CB 0.867 32.072 31.700 -0.825 0.000 0.888 316 M N 1.704 121.349 119.600 0.075 0.000 2.409 316 M HA 0.681 4.699 4.480 -0.770 0.000 0.329 316 M C 0.918 177.289 176.300 0.118 0.000 1.180 316 M CA -0.025 55.331 55.300 0.095 0.000 1.053 316 M CB 0.872 33.509 32.600 0.061 0.000 1.586 316 M HN 0.781 nan 8.290 nan 0.000 0.461 317 G N 1.868 110.740 108.800 0.120 0.000 2.361 317 G HA2 0.365 3.864 3.960 -0.770 0.000 0.331 317 G HA3 0.365 3.864 3.960 -0.770 0.000 0.331 317 G C -2.136 172.818 174.900 0.090 0.000 1.324 317 G CA -0.459 44.705 45.100 0.107 0.000 0.984 317 G HN 0.945 nan 8.290 nan 0.000 0.586 318 D N -2.196 118.105 120.400 -0.164 0.000 2.725 318 D HA 0.370 4.548 4.640 -0.770 0.000 0.292 318 D C 1.030 176.573 176.300 -1.262 0.000 1.288 318 D CA -0.177 53.499 54.000 -0.539 0.000 0.784 318 D CB 0.447 41.109 40.800 -0.229 0.000 1.308 318 D HN 0.932 nan 8.370 nan 0.000 0.429 319 I N -0.150 119.556 120.570 -1.440 0.000 2.335 319 I HA -0.198 3.511 4.170 -0.770 0.000 0.251 319 I C 0.625 176.416 176.117 -0.544 0.000 1.129 319 I CA 1.129 61.683 61.300 -1.243 0.000 1.402 319 I CB -0.099 37.531 38.000 -0.616 0.000 1.069 319 I HN 0.283 nan 8.210 nan 0.000 0.424 320 N N 0.792 119.263 118.700 -0.381 0.000 2.461 320 N HA -0.051 4.228 4.740 -0.770 0.000 0.188 320 N C -0.079 175.321 175.510 -0.182 0.000 1.134 320 N CA 0.376 53.294 53.050 -0.221 0.000 0.878 320 N CB -0.284 38.103 38.487 -0.167 0.000 0.972 320 N HN 0.339 nan 8.380 nan 0.000 0.456 321 D N 0.485 120.760 120.400 -0.208 0.000 2.396 321 D HA 0.286 4.464 4.640 -0.770 0.000 0.225 321 D C 0.806 177.122 176.300 0.028 0.000 1.121 321 D CA -0.387 53.556 54.000 -0.094 0.000 0.853 321 D CB 1.216 41.960 40.800 -0.094 0.000 1.043 321 D HN 0.055 nan 8.370 nan 0.000 0.500 322 A N 4.640 127.442 122.820 -0.031 0.000 2.019 322 A HA -0.158 3.700 4.320 -0.770 0.000 0.219 322 A C 1.861 179.502 177.584 0.094 0.000 1.164 322 A CA 1.142 53.155 52.037 -0.040 0.000 0.644 322 A CB -0.131 18.823 19.000 -0.077 0.000 0.805 322 A HN 0.578 nan 8.150 nan 0.000 0.449 323 K N -0.401 120.048 120.400 0.081 0.000 2.432 323 K HA 0.213 4.071 4.320 -0.770 0.000 0.196 323 K C 0.640 177.342 176.600 0.171 0.000 1.038 323 K CA 0.389 56.735 56.287 0.098 0.000 0.986 323 K CB -0.087 32.432 32.500 0.033 0.000 0.782 323 K HN 0.459 nan 8.250 nan 0.000 0.485 324 A N 1.652 124.618 122.820 0.242 0.000 2.310 324 A HA 0.401 4.259 4.320 -0.770 0.000 0.299 324 A C -0.462 177.423 177.584 0.502 0.000 1.147 324 A CA -0.418 51.821 52.037 0.338 0.000 0.818 324 A CB 0.630 19.811 19.000 0.303 0.000 1.096 324 A HN 0.038 nan 8.150 nan 0.000 0.495 325 K N 0.892 121.648 120.400 0.594 0.000 2.400 325 K HA 0.579 4.438 4.320 -0.770 0.000 0.246 325 K C -1.152 175.640 176.600 0.320 0.000 0.995 325 K CA -0.669 55.873 56.287 0.425 0.000 0.840 325 K CB 2.082 34.714 32.500 0.219 0.000 1.293 325 K HN 0.643 nan 8.250 nan 0.000 0.445 326 I N 2.477 122.947 120.570 -0.166 0.000 2.396 326 I HA 0.139 3.847 4.170 -0.770 0.000 0.289 326 I C -0.711 175.390 176.117 -0.026 0.000 1.056 326 I CA 0.003 61.147 61.300 -0.260 0.000 1.365 326 I CB 0.035 37.711 38.000 -0.541 0.000 1.407 326 I HN 0.357 nan 8.210 nan 0.000 0.509 327 Y N 7.698 128.081 120.300 0.139 0.000 2.598 327 Y HA 0.541 4.630 4.550 -0.769 0.000 0.340 327 Y C -2.318 173.640 175.900 0.096 0.000 1.038 327 Y CA -2.319 55.826 58.100 0.076 0.000 1.100 327 Y CB 2.087 40.530 38.460 -0.029 0.000 1.281 327 Y HN 0.349 nan 8.280 nan 0.000 0.488 328 P HA 0.447 nan 4.420 nan 0.000 0.293 328 P C -1.507 175.532 177.300 -0.435 0.000 1.291 328 P CA -0.416 62.626 63.100 -0.096 0.000 0.867 328 P CB 1.655 33.341 31.700 -0.024 0.000 1.074 329 F N 0.158 120.039 119.950 -0.115 0.000 2.601 329 F HA 0.448 4.514 4.527 -0.769 0.000 0.309 329 F C 0.550 176.212 175.800 -0.230 0.000 1.089 329 F CA -0.815 57.131 58.000 -0.091 0.000 0.940 329 F CB 2.678 41.732 39.000 0.090 0.000 1.273 329 F HN 0.138 nan 8.300 nan 0.000 0.450 330 K N 2.183 122.541 120.400 -0.069 0.000 2.201 330 K HA 0.747 4.606 4.320 -0.770 0.000 0.278 330 K C -1.742 174.847 176.600 -0.018 0.000 1.027 330 K CA -0.377 55.810 56.287 -0.166 0.000 0.909 330 K CB 1.278 33.480 32.500 -0.496 0.000 1.062 330 K HN 0.514 nan 8.250 nan 0.000 0.465 331 V N 4.934 124.779 119.914 -0.115 0.000 2.444 331 V HA 0.210 3.868 4.120 -0.770 0.000 0.294 331 V C -0.626 175.478 176.094 0.017 0.000 1.022 331 V CA -0.839 61.274 62.300 -0.311 0.000 0.850 331 V CB 1.189 32.548 31.823 -0.775 0.000 0.992 331 V HN 0.825 nan 8.190 nan 0.000 0.426 332 H N 3.711 122.826 119.070 0.075 0.000 2.466 332 H HA 0.640 4.732 4.556 -0.772 0.000 0.338 332 H C -0.440 174.861 175.328 -0.044 0.000 1.091 332 H CA -0.172 55.901 56.048 0.042 0.000 1.207 332 H CB 2.044 31.872 29.762 0.110 0.000 1.466 332 H HN 0.767 nan 8.280 nan 0.000 0.493 333 T N 1.784 116.037 114.554 -0.502 0.000 2.950 333 T HA 0.768 4.656 4.350 -0.770 0.000 0.288 333 T C 0.241 174.661 174.700 -0.467 0.000 1.035 333 T CA -0.407 61.477 62.100 -0.360 0.000 1.028 333 T CB 2.284 71.049 68.868 -0.172 0.000 1.109 333 T HN 0.758 nan 8.240 nan 0.000 0.514 334 G N 0.296 108.959 108.800 -0.228 0.000 2.430 334 G HA2 0.557 4.055 3.960 -0.770 0.000 0.300 334 G HA3 0.557 4.055 3.960 -0.770 0.000 0.300 334 G C -2.113 172.782 174.900 -0.007 0.000 1.330 334 G CA -1.050 43.981 45.100 -0.115 0.000 0.813 334 G HN 0.762 nan 8.290 nan 0.000 0.487 335 K N 0.266 120.720 120.400 0.090 0.000 2.422 335 K HA 0.585 4.444 4.320 -0.770 0.000 0.251 335 K C -0.703 176.068 176.600 0.286 0.000 0.933 335 K CA -0.695 55.693 56.287 0.168 0.000 0.798 335 K CB 2.566 35.169 32.500 0.172 0.000 1.238 335 K HN 0.868 nan 8.250 nan 0.000 0.428 336 Q N 1.797 121.771 119.800 0.290 0.000 2.590 336 Q HA 0.452 4.330 4.340 -0.770 0.000 0.295 336 Q C -1.214 174.888 176.000 0.170 0.000 0.973 336 Q CA -0.933 54.986 55.803 0.194 0.000 0.768 336 Q CB 1.525 30.179 28.738 -0.139 0.000 1.479 336 Q HN 0.643 nan 8.270 nan 0.000 0.419 337 I N 2.382 122.805 120.570 -0.247 0.000 2.474 337 I HA 0.364 4.072 4.170 -0.770 0.000 0.287 337 I C -1.351 174.702 176.117 -0.107 0.000 1.048 337 I CA -0.487 60.461 61.300 -0.586 0.000 1.383 337 I CB 0.387 37.697 38.000 -1.149 0.000 1.412 337 I HN 0.718 nan 8.210 nan 0.000 0.531 338 Y N 5.564 125.713 120.300 -0.252 0.000 2.553 338 Y HA 0.427 4.467 4.550 -0.850 0.000 0.347 338 Y C -0.910 174.920 175.900 -0.118 0.000 1.019 338 Y CA -1.403 56.593 58.100 -0.173 0.000 1.032 338 Y CB 0.858 39.094 38.460 -0.373 0.000 1.284 338 Y HN 0.475 nan 8.280 nan 0.000 0.466 339 D N 3.233 123.602 120.400 -0.051 0.000 2.338 339 D HA 0.026 4.204 4.640 -0.770 0.000 0.255 339 D C 0.532 176.750 176.300 -0.137 0.000 1.237 339 D CA 0.176 54.158 54.000 -0.029 0.000 0.883 339 D CB 1.435 42.298 40.800 0.104 0.000 1.087 339 D HN 0.850 nan 8.370 nan 0.000 0.485 340 K N 3.514 123.734 120.400 -0.300 0.000 2.283 340 K HA -0.085 3.774 4.320 -0.770 0.000 0.202 340 K C 1.459 178.022 176.600 -0.060 0.000 1.048 340 K CA 0.948 57.064 56.287 -0.285 0.000 0.948 340 K CB 0.340 32.655 32.500 -0.308 0.000 0.742 340 K HN 0.143 nan 8.250 nan 0.000 0.458 341 K N 0.025 120.389 120.400 -0.059 0.000 2.168 341 K HA 0.144 4.002 4.320 -0.770 0.000 0.201 341 K C 0.524 177.123 176.600 -0.002 0.000 1.049 341 K CA 0.466 56.733 56.287 -0.033 0.000 0.974 341 K CB 0.014 32.476 32.500 -0.063 0.000 0.792 341 K HN 0.113 nan 8.250 nan 0.000 0.463 342 L N 1.815 123.045 121.223 0.012 0.000 2.421 342 L HA 0.203 4.081 4.340 -0.770 0.000 0.263 342 L C 0.510 177.409 176.870 0.048 0.000 1.122 342 L CA -0.387 54.468 54.840 0.025 0.000 0.804 342 L CB 0.382 42.462 42.059 0.034 0.000 1.150 342 L HN -0.025 nan 8.230 nan 0.000 0.457 343 N N 3.425 122.140 118.700 0.026 0.000 3.234 343 N HA 0.338 4.616 4.740 -0.770 0.000 0.272 343 N C -1.016 174.472 175.510 -0.035 0.000 1.254 343 N CA -0.044 53.018 53.050 0.020 0.000 1.087 343 N CB 0.451 38.916 38.487 -0.036 0.000 1.356 343 N HN 0.480 nan 8.380 nan 0.000 0.511 344 I N -2.586 117.998 120.570 0.023 0.000 2.828 344 I HA 0.571 4.279 4.170 -0.770 0.000 0.302 344 I C -0.614 175.504 176.117 0.003 0.000 1.101 344 I CA -0.989 60.330 61.300 0.032 0.000 1.031 344 I CB 1.467 39.544 38.000 0.128 0.000 1.231 344 I HN -0.179 nan 8.210 nan 0.000 0.427 345 F N 4.068 124.099 119.950 0.134 0.000 2.471 345 F HA 0.397 4.382 4.527 -0.902 0.000 0.353 345 F C 0.517 176.334 175.800 0.028 0.000 1.113 345 F CA -0.107 57.898 58.000 0.008 0.000 1.262 345 F CB 0.881 39.755 39.000 -0.210 0.000 1.146 345 F HN 0.267 nan 8.300 nan 0.000 0.578 346 I N 1.716 122.377 120.570 0.152 0.000 2.488 346 I HA 0.216 3.924 4.170 -0.770 0.000 0.299 346 I C -0.027 176.053 176.117 -0.061 0.000 0.984 346 I CA -0.597 60.702 61.300 -0.002 0.000 1.250 346 I CB 1.743 39.657 38.000 -0.143 0.000 1.389 346 I HN 0.537 nan 8.210 nan 0.000 0.488 347 T N 3.209 117.722 114.554 -0.068 0.000 2.929 347 T HA 0.463 4.351 4.350 -0.770 0.000 0.331 347 T C -2.526 172.091 174.700 -0.137 0.000 1.120 347 T CA -1.909 60.136 62.100 -0.092 0.000 0.973 347 T CB 0.670 69.518 68.868 -0.034 0.000 1.036 347 T HN 0.274 nan 8.240 nan 0.000 0.502 348 P HA 0.377 nan 4.420 nan 0.000 0.285 348 P C -0.722 176.469 177.300 -0.181 0.000 1.269 348 P CA -0.934 62.055 63.100 -0.185 0.000 0.844 348 P CB 1.342 32.956 31.700 -0.144 0.000 1.094 349 K N 0.766 121.066 120.400 -0.167 0.000 2.316 349 K HA 0.207 4.065 4.320 -0.770 0.000 0.289 349 K C 0.883 177.324 176.600 -0.266 0.000 1.070 349 K CA -0.031 56.153 56.287 -0.172 0.000 0.928 349 K CB 0.101 32.525 32.500 -0.127 0.000 1.039 349 K HN 0.472 nan 8.250 nan 0.000 0.480 350 T N 1.334 115.661 114.554 -0.379 0.000 3.034 350 T HA -0.004 3.884 4.350 -0.770 0.000 0.248 350 T C 0.363 174.711 174.700 -0.586 0.000 1.040 350 T CA 0.039 61.716 62.100 -0.706 0.000 1.107 350 T CB -0.255 67.871 68.868 -1.235 0.000 0.932 350 T HN 0.493 nan 8.240 nan 0.000 0.474 351 Y N 2.545 122.594 120.300 -0.418 0.000 2.320 351 Y HA 0.516 4.601 4.550 -0.774 0.000 0.324 351 Y C 0.875 176.738 175.900 -0.062 0.000 1.190 351 Y CA 0.364 58.393 58.100 -0.119 0.000 1.215 351 Y CB 0.626 39.069 38.460 -0.029 0.000 1.221 351 Y HN 0.748 nan 8.280 nan 0.000 0.486 352 G N 3.869 112.065 108.800 -1.006 0.000 2.681 352 G HA2 -0.246 3.252 3.960 -0.770 0.000 0.220 352 G HA3 -0.246 3.252 3.960 -0.770 0.000 0.220 352 G C -0.987 173.709 174.900 -0.340 0.000 1.353 352 G CA -0.553 44.097 45.100 -0.750 0.000 0.872 352 G HN 0.813 nan 8.290 nan 0.000 0.557 353 K N 1.013 121.281 120.400 -0.220 0.000 2.436 353 K HA 0.416 4.274 4.320 -0.770 0.000 0.282 353 K C 1.477 178.001 176.600 -0.127 0.000 1.044 353 K CA 1.987 58.187 56.287 -0.145 0.000 1.028 353 K CB 0.257 32.702 32.500 -0.092 0.000 0.919 353 K HN 2.206 nan 8.250 nan 0.000 0.474 354 G N 2.295 111.017 108.800 -0.130 0.000 2.304 354 G HA2 -0.284 3.214 3.960 -0.770 0.000 0.252 354 G HA3 -0.284 3.214 3.960 -0.770 0.000 0.252 354 G C 0.603 175.405 174.900 -0.163 0.000 1.014 354 G CA -0.111 44.916 45.100 -0.122 0.000 0.619 354 G HN 0.921 nan 8.290 nan 0.000 0.525 355 G N -0.778 107.905 108.800 -0.195 0.000 2.562 355 G HA2 0.306 3.804 3.960 -0.770 0.000 0.233 355 G HA3 0.306 3.804 3.960 -0.770 0.000 0.233 355 G C 0.631 175.346 174.900 -0.309 0.000 1.266 355 G CA 0.698 45.655 45.100 -0.238 0.000 0.852 355 G HN 0.647 nan 8.290 nan 0.000 0.581 356 Y N 0.664 120.669 120.300 -0.491 0.000 2.151 356 Y HA -0.196 3.923 4.550 -0.719 0.000 0.284 356 Y C 2.224 177.772 175.900 -0.588 0.000 1.166 356 Y CA 2.086 59.816 58.100 -0.617 0.000 1.163 356 Y CB -0.028 37.903 38.460 -0.883 0.000 0.974 356 Y HN 0.609 nan 8.280 nan 0.000 0.511 357 W N -0.088 120.956 121.300 -0.426 0.000 2.468 357 W HA -0.112 4.090 4.660 -0.764 0.000 0.262 357 W C 2.619 178.676 176.519 -0.771 0.000 1.241 357 W CA 1.445 58.477 57.345 -0.521 0.000 1.232 357 W CB -1.312 28.091 29.460 -0.095 0.000 1.124 357 W HN 0.340 nan 8.180 nan 0.000 0.597 358 S N -1.469 113.958 115.700 -0.456 0.000 2.506 358 S HA 0.024 4.032 4.470 -0.770 0.000 0.230 358 S C 1.403 175.693 174.600 -0.517 0.000 1.066 358 S CA 0.380 58.321 58.200 -0.432 0.000 0.940 358 S CB -0.098 62.969 63.200 -0.221 0.000 0.818 358 S HN -0.008 nan 8.310 nan 0.000 0.518 359 E N 0.587 120.479 120.200 -0.513 0.000 2.276 359 E HA 0.303 4.192 4.350 -0.770 0.000 0.193 359 E C -0.296 176.117 176.600 -0.312 0.000 0.983 359 E CA -0.037 56.175 56.400 -0.313 0.000 0.861 359 E CB -0.235 29.352 29.700 -0.188 0.000 0.817 359 E HN 0.589 nan 8.360 nan 0.000 0.485 360 F N 1.041 120.641 119.950 -0.584 0.000 3.043 360 F HA -0.218 3.841 4.527 -0.779 0.000 0.290 360 F C 0.043 175.594 175.800 -0.416 0.000 0.844 360 F CA 0.458 57.901 58.000 -0.927 0.000 1.184 360 F CB -1.083 37.613 39.000 -0.506 0.000 1.246 360 F HN -0.061 nan 8.300 nan 0.000 0.536 361 D N -0.198 120.108 120.400 -0.155 0.000 2.454 361 D HA 0.193 4.371 4.640 -0.770 0.000 0.247 361 D C 0.489 176.847 176.300 0.097 0.000 1.129 361 D CA -0.617 53.424 54.000 0.068 0.000 0.877 361 D CB 0.312 41.135 40.800 0.037 0.000 1.082 361 D HN 0.219 nan 8.370 nan 0.000 0.537 362 W N 2.745 124.151 121.300 0.177 0.000 2.374 362 W HA -0.106 4.294 4.660 -0.433 0.000 0.288 362 W C 1.741 177.998 176.519 -0.437 0.000 1.218 362 W CA 0.332 57.516 57.345 -0.269 0.000 1.245 362 W CB -0.014 28.947 29.460 -0.831 0.000 1.126 362 W HN 0.447 nan 8.180 nan 0.000 0.545 363 N N 0.226 118.959 118.700 0.055 0.000 2.106 363 N HA -0.176 4.102 4.740 -0.770 0.000 0.188 363 N C 1.827 177.355 175.510 0.030 0.000 1.029 363 N CA 1.356 54.486 53.050 0.132 0.000 0.848 363 N CB -0.660 38.029 38.487 0.337 0.000 1.007 363 N HN 0.025 nan 8.380 nan 0.000 0.423 364 L N 0.781 122.029 121.223 0.041 0.000 2.012 364 L HA -0.171 3.708 4.340 -0.770 0.000 0.210 364 L C 2.176 179.000 176.870 -0.077 0.000 1.073 364 L CA 1.488 56.326 54.840 -0.004 0.000 0.748 364 L CB -0.582 41.472 42.059 -0.008 0.000 0.891 364 L HN 0.229 nan 8.230 nan 0.000 0.431 365 A N -0.250 122.516 122.820 -0.090 0.000 1.908 365 A HA -0.220 3.638 4.320 -0.770 0.000 0.218 365 A C 2.444 179.917 177.584 -0.184 0.000 1.181 365 A CA 1.884 53.847 52.037 -0.123 0.000 0.627 365 A CB -0.816 18.116 19.000 -0.112 0.000 0.818 365 A HN 0.581 nan 8.150 nan 0.000 0.445 366 A N -0.052 122.589 122.820 -0.299 0.000 1.883 366 A HA -0.203 3.655 4.320 -0.770 0.000 0.217 366 A C 2.174 179.430 177.584 -0.546 0.000 1.186 366 A CA 2.128 53.820 52.037 -0.574 0.000 0.624 366 A CB -0.497 17.818 19.000 -1.142 0.000 0.822 366 A HN 0.602 nan 8.150 nan 0.000 0.444 367 K N -0.212 119.942 120.400 -0.410 0.000 2.002 367 K HA -0.076 3.782 4.320 -0.770 0.000 0.209 367 K C 1.921 178.486 176.600 -0.058 0.000 1.048 367 K CA 1.573 57.806 56.287 -0.089 0.000 0.930 367 K CB -0.360 32.197 32.500 0.095 0.000 0.714 367 K HN 0.460 nan 8.250 nan 0.000 0.438 368 L N 0.342 121.520 121.223 -0.075 0.000 2.141 368 L HA -0.065 3.813 4.340 -0.770 0.000 0.209 368 L C 2.626 179.460 176.870 -0.060 0.000 1.094 368 L CA 1.249 56.057 54.840 -0.052 0.000 0.763 368 L CB -0.578 41.447 42.059 -0.058 0.000 0.908 368 L HN 0.454 nan 8.230 nan 0.000 0.437 369 G N -0.606 108.135 108.800 -0.098 0.000 2.403 369 G HA2 -0.178 3.320 3.960 -0.770 0.000 0.216 369 G HA3 -0.178 3.320 3.960 -0.770 0.000 0.216 369 G C 1.609 176.473 174.900 -0.060 0.000 1.154 369 G CA 0.226 45.273 45.100 -0.088 0.000 0.784 369 G HN 0.065 nan 8.290 nan 0.000 0.538 370 M N 0.712 120.270 119.600 -0.071 0.000 2.200 370 M HA 0.050 4.069 4.480 -0.770 0.000 0.265 370 M C 2.180 178.489 176.300 0.015 0.000 1.066 370 M CA 0.883 56.173 55.300 -0.017 0.000 1.127 370 M CB -0.934 31.669 32.600 0.005 0.000 1.379 370 M HN 0.329 nan 8.290 nan 0.000 0.420 371 E N 0.204 120.413 120.200 0.014 0.000 2.418 371 E HA -0.005 3.883 4.350 -0.770 0.000 0.197 371 E C 1.718 178.333 176.600 0.024 0.000 1.026 371 E CA 0.779 57.194 56.400 0.026 0.000 0.862 371 E CB 0.001 29.718 29.700 0.027 0.000 0.799 371 E HN 0.467 nan 8.360 nan 0.000 0.518 372 A N 1.013 123.843 122.820 0.017 0.000 2.169 372 A HA 0.007 3.865 4.320 -0.770 0.000 0.210 372 A C 0.988 178.597 177.584 0.041 0.000 1.168 372 A CA -0.313 51.742 52.037 0.029 0.000 0.813 372 A CB 0.086 19.100 19.000 0.023 0.000 0.861 372 A HN 0.074 nan 8.150 nan 0.000 0.481 373 N N 1.396 120.116 118.700 0.032 0.000 2.431 373 N HA 0.058 4.336 4.740 -0.770 0.000 0.265 373 N C -1.678 173.861 175.510 0.048 0.000 1.184 373 N CA -1.244 51.830 53.050 0.042 0.000 0.943 373 N CB 1.311 39.817 38.487 0.031 0.000 1.080 373 N HN 0.088 nan 8.380 nan 0.000 0.477 374 P HA -0.137 nan 4.420 nan 0.000 0.215 374 P C 1.038 178.361 177.300 0.039 0.000 1.153 374 P CA 1.667 64.799 63.100 0.053 0.000 0.853 374 P CB -0.012 31.727 31.700 0.066 0.000 0.788 375 T N -0.947 113.629 114.554 0.037 0.000 2.821 375 T HA -0.095 3.793 4.350 -0.770 0.000 0.267 375 T C 1.953 176.667 174.700 0.023 0.000 1.046 375 T CA 1.181 63.295 62.100 0.024 0.000 1.139 375 T CB -0.726 68.153 68.868 0.019 0.000 0.871 375 T HN -0.082 nan 8.240 nan 0.000 0.454 376 M N 1.156 120.774 119.600 0.030 0.000 2.080 376 M HA 0.076 4.094 4.480 -0.770 0.000 0.260 376 M C 2.369 178.686 176.300 0.029 0.000 1.068 376 M CA 1.248 56.567 55.300 0.032 0.000 1.109 376 M CB -1.542 31.081 32.600 0.039 0.000 1.342 376 M HN 0.262 nan 8.290 nan 0.000 0.405 377 L N -0.445 120.795 121.223 0.030 0.000 1.994 377 L HA -0.211 3.667 4.340 -0.770 0.000 0.208 377 L C 2.625 179.507 176.870 0.021 0.000 1.071 377 L CA 1.210 56.066 54.840 0.027 0.000 0.745 377 L CB -0.710 41.367 42.059 0.030 0.000 0.892 377 L HN 0.319 nan 8.230 nan 0.000 0.431 378 E N 0.749 120.961 120.200 0.020 0.000 2.130 378 E HA -0.237 3.651 4.350 -0.770 0.000 0.196 378 E C 1.715 178.321 176.600 0.010 0.000 0.998 378 E CA 1.387 57.795 56.400 0.013 0.000 0.806 378 E CB 0.013 29.720 29.700 0.011 0.000 0.738 378 E HN 0.523 nan 8.360 nan 0.000 0.459 379 K N -0.883 119.524 120.400 0.010 0.000 2.387 379 K HA 0.163 4.022 4.320 -0.770 0.000 0.198 379 K C 0.970 177.576 176.600 0.010 0.000 1.022 379 K CA 0.470 56.761 56.287 0.007 0.000 1.128 379 K CB 0.651 33.153 32.500 0.003 0.000 0.853 379 K HN 0.128 nan 8.250 nan 0.000 0.523 380 G N 2.361 111.169 108.800 0.014 0.000 2.203 380 G HA2 -0.285 3.214 3.960 -0.770 0.000 0.263 380 G HA3 -0.285 3.214 3.960 -0.770 0.000 0.263 380 G C 0.101 175.013 174.900 0.019 0.000 1.012 380 G CA 0.007 45.116 45.100 0.015 0.000 0.749 380 G HN 0.325 nan 8.290 nan 0.000 0.512 381 I N 0.102 120.687 120.570 0.025 0.000 2.471 381 I HA 0.303 4.011 4.170 -0.770 0.000 0.286 381 I C 0.636 176.782 176.117 0.048 0.000 1.079 381 I CA 0.234 61.555 61.300 0.034 0.000 1.398 381 I CB 0.911 38.934 38.000 0.039 0.000 1.403 381 I HN -0.002 nan 8.210 nan 0.000 0.530 382 K N 5.533 125.963 120.400 0.050 0.000 2.270 382 K HA 0.303 4.161 4.320 -0.770 0.000 0.255 382 K C -0.752 175.913 176.600 0.109 0.000 0.936 382 K CA -0.791 55.538 56.287 0.070 0.000 0.809 382 K CB 1.356 33.878 32.500 0.037 0.000 1.131 382 K HN 0.272 nan 8.250 nan 0.000 0.427 383 Y N 2.306 122.606 120.300 0.000 0.000 2.810 383 Y HA -0.141 3.943 4.550 -0.776 0.000 0.332 383 Y C 1.284 177.183 175.900 -0.002 0.000 1.243 383 Y CA 0.286 58.384 58.100 -0.004 0.000 1.537 383 Y CB 0.504 38.962 38.460 -0.004 0.000 1.265 383 Y HN 0.767 nan 8.280 nan 0.000 0.572 384 S N 3.184 118.632 115.700 -0.420 0.000 2.489 384 S HA 0.154 4.162 4.470 -0.770 0.000 0.228 384 S C 1.568 175.779 174.600 -0.648 0.000 0.995 384 S CA 0.460 58.413 58.200 -0.412 0.000 0.934 384 S CB -0.429 62.641 63.200 -0.216 0.000 0.771 384 S HN 1.723 nan 8.310 nan 0.000 0.522 385 G N 0.168 108.087 108.800 -1.468 0.000 2.194 385 G HA2 -0.183 3.315 3.960 -0.770 0.000 0.236 385 G HA3 -0.183 3.315 3.960 -0.770 0.000 0.236 385 G C -0.244 174.433 174.900 -0.371 0.000 0.987 385 G CA 0.071 44.642 45.100 -0.883 0.000 0.635 385 G HN 0.571 nan 8.290 nan 0.000 0.520 386 E N -0.188 119.829 120.200 -0.305 0.000 2.199 386 E HA 0.588 4.476 4.350 -0.770 0.000 0.265 386 E C -0.696 175.928 176.600 0.039 0.000 0.882 386 E CA -0.995 55.356 56.400 -0.082 0.000 0.759 386 E CB 1.525 31.138 29.700 -0.145 0.000 1.148 386 E HN 0.523 nan 8.360 nan 0.000 0.412 387 Y N 0.421 120.651 120.300 -0.117 0.000 2.602 387 Y HA 0.779 4.797 4.550 -0.887 0.000 0.342 387 Y C -0.772 174.834 175.900 -0.490 0.000 1.029 387 Y CA -0.878 57.030 58.100 -0.320 0.000 1.080 387 Y CB 1.864 40.142 38.460 -0.303 0.000 1.284 387 Y HN 0.308 nan 8.280 nan 0.000 0.485 388 D N -0.117 119.844 120.400 -0.733 0.000 2.812 388 D HA 0.479 4.657 4.640 -0.770 0.000 0.318 388 D C -2.000 173.916 176.300 -0.641 0.000 1.234 388 D CA -0.721 52.878 54.000 -0.669 0.000 0.989 388 D CB 1.977 42.451 40.800 -0.543 0.000 1.442 388 D HN 0.451 nan 8.370 nan 0.000 0.537 389 F N 0.426 120.410 119.950 0.058 0.000 2.482 389 F HA 0.738 5.184 4.527 -0.136 0.000 0.331 389 F C 0.445 176.446 175.800 0.335 0.000 1.115 389 F CA -0.579 57.533 58.000 0.187 0.000 0.955 389 F CB 2.143 41.192 39.000 0.082 0.000 1.136 389 F HN 0.298 nan 8.300 nan 0.000 0.452 390 A N 1.615 124.737 122.820 0.503 0.000 2.413 390 A HA 0.901 4.759 4.320 -0.770 0.000 0.307 390 A C -0.998 176.726 177.584 0.233 0.000 1.087 390 A CA -0.803 51.380 52.037 0.244 0.000 0.750 390 A CB 1.098 20.009 19.000 -0.149 0.000 1.296 390 A HN 0.924 nan 8.150 nan 0.000 0.423 391 A N 0.723 123.617 122.820 0.124 0.000 2.354 391 A HA 0.713 4.571 4.320 -0.770 0.000 0.269 391 A C 0.529 178.147 177.584 0.057 0.000 1.109 391 A CA 0.513 52.596 52.037 0.077 0.000 0.800 391 A CB -0.100 18.926 19.000 0.044 0.000 1.045 391 A HN 1.958 nan 8.150 nan 0.000 0.489 392 T N -0.611 113.937 114.554 -0.010 0.000 2.864 392 T HA 0.736 4.624 4.350 -0.770 0.000 0.299 392 T C -0.861 173.809 174.700 -0.049 0.000 1.166 392 T CA -0.533 61.533 62.100 -0.056 0.000 1.007 392 T CB 1.699 70.448 68.868 -0.199 0.000 1.219 392 T HN 0.959 nan 8.240 nan 0.000 0.506 393 E N 1.063 121.259 120.200 -0.006 0.000 2.367 393 E HA 0.703 4.592 4.350 -0.770 0.000 0.273 393 E C -1.451 175.190 176.600 0.067 0.000 0.903 393 E CA -1.212 55.204 56.400 0.027 0.000 0.764 393 E CB 2.586 32.355 29.700 0.115 0.000 1.252 393 E HN 0.788 nan 8.360 nan 0.000 0.446 394 M N 2.376 121.985 119.600 0.015 0.000 2.433 394 M HA 0.494 4.512 4.480 -0.770 0.000 0.290 394 M C -2.322 173.804 176.300 -0.289 0.000 1.173 394 M CA -0.430 54.807 55.300 -0.106 0.000 0.905 394 M CB 1.833 34.272 32.600 -0.269 0.000 1.692 394 M HN 0.662 nan 8.290 nan 0.000 0.462 395 W N 4.407 125.400 121.300 -0.511 0.000 2.529 395 W HA 0.588 4.783 4.660 -0.775 0.000 0.321 395 W C -1.407 174.843 176.519 -0.448 0.000 1.047 395 W CA -0.101 57.039 57.345 -0.341 0.000 1.216 395 W CB 1.141 30.321 29.460 -0.467 0.000 1.357 395 W HN 0.484 nan 8.180 nan 0.000 0.489 396 W N 3.084 124.480 121.300 0.161 0.000 2.915 396 W HA 0.450 4.644 4.660 -0.776 0.000 0.337 396 W C 0.271 176.895 176.519 0.176 0.000 1.102 396 W CA -1.545 55.838 57.345 0.064 0.000 1.224 396 W CB 1.761 30.938 29.460 -0.472 0.000 1.416 396 W HN 0.067 nan 8.180 nan 0.000 0.503 397 R N 1.905 122.612 120.500 0.345 0.000 2.643 397 R HA 0.284 4.162 4.340 -0.770 0.000 0.270 397 R C -0.146 176.161 176.300 0.011 0.000 1.061 397 R CA -0.287 55.737 56.100 -0.126 0.000 1.107 397 R CB 0.770 30.965 30.300 -0.174 0.000 0.999 397 R HN 0.171 nan 8.270 nan 0.000 0.460 398 I N 2.778 123.230 120.570 -0.198 0.000 2.362 398 I HA 0.146 3.854 4.170 -0.770 0.000 0.289 398 I C 0.461 176.507 176.117 -0.117 0.000 0.994 398 I CA -0.092 61.137 61.300 -0.119 0.000 1.158 398 I CB 1.423 39.322 38.000 -0.167 0.000 1.315 398 I HN 0.680 nan 8.210 nan 0.000 0.451 399 N N 3.901 122.502 118.700 -0.164 0.000 2.129 399 N HA 0.083 4.361 4.740 -0.770 0.000 0.222 399 N C -0.021 175.180 175.510 -0.515 0.000 1.303 399 N CA 0.006 52.848 53.050 -0.346 0.000 0.897 399 N CB 1.004 39.209 38.487 -0.470 0.000 1.093 399 N HN 0.607 nan 8.380 nan 0.000 0.501 400 H N -0.195 118.897 119.070 0.037 0.000 2.713 400 H HA 0.452 4.546 4.556 -0.770 0.000 0.340 400 H C 0.520 175.898 175.328 0.084 0.000 1.271 400 H CA -0.568 55.519 56.048 0.065 0.000 1.306 400 H CB 1.077 30.865 29.762 0.043 0.000 1.839 400 H HN -0.223 nan 8.280 nan 0.000 0.627 401 M N -0.855 118.871 119.600 0.209 0.000 2.732 401 M HA -0.182 3.836 4.480 -0.770 0.000 0.207 401 M C -0.899 175.479 176.300 0.131 0.000 0.513 401 M CA -0.038 55.348 55.300 0.144 0.000 0.652 401 M CB -1.793 30.896 32.600 0.148 0.000 2.410 401 M HN 0.176 nan 8.290 nan 0.000 0.660 402 V N 1.159 121.158 119.914 0.142 0.000 2.557 402 V HA 0.004 3.663 4.120 -0.770 0.000 0.301 402 V C 1.170 177.296 176.094 0.053 0.000 1.026 402 V CA 0.605 62.976 62.300 0.118 0.000 1.137 402 V CB 1.293 33.216 31.823 0.167 0.000 0.917 402 V HN 0.456 nan 8.190 nan 0.000 0.484 403 S N 6.822 122.569 115.700 0.079 0.000 2.652 403 S HA 0.428 4.436 4.470 -0.770 0.000 0.270 403 S C -2.200 172.415 174.600 0.025 0.000 1.243 403 S CA -0.877 57.358 58.200 0.058 0.000 0.999 403 S CB 1.105 64.365 63.200 0.100 0.000 0.973 403 S HN 0.631 nan 8.310 nan 0.000 0.544 404 P HA 0.041 nan 4.420 nan 0.000 0.269 404 P C 0.613 177.934 177.300 0.035 0.000 1.211 404 P CA -0.163 62.932 63.100 -0.009 0.000 0.781 404 P CB 0.346 32.041 31.700 -0.009 0.000 0.877 405 K N 1.203 121.623 120.400 0.032 0.000 2.211 405 K HA -0.202 3.656 4.320 -0.770 0.000 0.204 405 K C 0.942 177.577 176.600 0.059 0.000 1.047 405 K CA 1.710 58.045 56.287 0.081 0.000 0.935 405 K CB -0.416 32.121 32.500 0.061 0.000 0.728 405 K HN 0.235 nan 8.250 nan 0.000 0.452 406 E N 1.224 121.444 120.200 0.033 0.000 2.338 406 E HA -0.108 3.780 4.350 -0.770 0.000 0.197 406 E C 1.260 177.873 176.600 0.021 0.000 1.007 406 E CA 0.963 57.376 56.400 0.020 0.000 0.849 406 E CB 0.081 29.789 29.700 0.014 0.000 0.774 406 E HN 0.490 nan 8.360 nan 0.000 0.506 407 Q N -0.325 119.497 119.800 0.035 0.000 2.198 407 Q HA 0.379 4.258 4.340 -0.770 0.000 0.209 407 Q C 0.173 176.185 176.000 0.020 0.000 0.848 407 Q CA -0.058 55.772 55.803 0.046 0.000 0.974 407 Q CB 0.481 29.270 28.738 0.085 0.000 1.115 407 Q HN 0.105 nan 8.270 nan 0.000 0.494 408 A N 1.627 124.438 122.820 -0.015 0.000 2.483 408 A HA 0.265 4.123 4.320 -0.770 0.000 0.238 408 A C 0.371 177.856 177.584 -0.165 0.000 1.070 408 A CA -0.403 51.550 52.037 -0.139 0.000 0.770 408 A CB 0.180 19.016 19.000 -0.274 0.000 1.008 408 A HN 0.447 nan 8.150 nan 0.000 0.497 409 L N 2.716 123.803 121.223 -0.225 0.000 2.601 409 L HA -0.033 3.846 4.340 -0.770 0.000 0.277 409 L C 0.727 177.471 176.870 -0.211 0.000 1.219 409 L CA 0.141 54.851 54.840 -0.216 0.000 0.915 409 L CB -0.332 41.565 42.059 -0.269 0.000 1.160 409 L HN 0.730 nan 8.230 nan 0.000 0.494 410 N N 0.989 119.598 118.700 -0.151 0.000 2.563 410 N HA 0.235 4.513 4.740 -0.770 0.000 0.288 410 N C 0.858 176.307 175.510 -0.102 0.000 1.246 410 N CA -0.708 52.262 53.050 -0.134 0.000 0.946 410 N CB 1.527 39.960 38.487 -0.090 0.000 1.213 410 N HN 0.637 nan 8.380 nan 0.000 0.578 411 C N 0.134 119.396 119.300 -0.064 0.000 2.385 411 C HA -0.116 3.882 4.460 -0.770 0.000 0.275 411 C C 1.893 176.924 174.990 0.068 0.000 1.199 411 C CA 0.472 59.510 59.018 0.034 0.000 1.782 411 C CB -1.046 26.718 27.740 0.041 0.000 2.068 411 C HN 0.640 nan 8.230 nan 0.000 0.471 412 N N 0.771 119.484 118.700 0.022 0.000 2.521 412 N HA -0.059 4.219 4.740 -0.770 0.000 0.188 412 N C 0.909 176.413 175.510 -0.009 0.000 1.146 412 N CA 0.613 53.680 53.050 0.027 0.000 0.893 412 N CB -0.335 38.165 38.487 0.022 0.000 0.975 412 N HN 0.630 nan 8.380 nan 0.000 0.451 413 D N -0.035 120.330 120.400 -0.057 0.000 2.194 413 D HA -0.002 4.176 4.640 -0.770 0.000 0.204 413 D C 1.597 177.807 176.300 -0.149 0.000 0.964 413 D CA 0.741 54.679 54.000 -0.103 0.000 0.846 413 D CB 0.298 41.010 40.800 -0.147 0.000 0.962 413 D HN 0.273 nan 8.370 nan 0.000 0.490 414 C N -0.351 118.846 119.300 -0.173 0.000 2.464 414 C HA 0.155 4.154 4.460 -0.770 0.000 0.348 414 C C 1.193 176.146 174.990 -0.061 0.000 1.367 414 C CA -0.332 58.534 59.018 -0.253 0.000 2.012 414 C CB -0.082 27.404 27.740 -0.422 0.000 2.434 414 C HN 0.280 nan 8.230 nan 0.000 0.536 415 H N 1.121 120.295 119.070 0.174 0.000 2.523 415 H HA 0.331 4.426 4.556 -0.769 0.000 0.345 415 H C 0.338 175.728 175.328 0.104 0.000 1.261 415 H CA 0.048 56.200 56.048 0.173 0.000 1.343 415 H CB 0.431 30.240 29.762 0.078 0.000 1.650 415 H HN 0.257 nan 8.280 nan 0.000 0.591 416 N N 0.311 119.135 118.700 0.207 0.000 1.293 416 N HA -0.280 3.998 4.740 -0.770 0.000 0.140 416 N C 0.821 176.394 175.510 0.105 0.000 0.753 416 N CA 1.806 54.924 53.050 0.114 0.000 0.979 416 N CB -0.880 37.657 38.487 0.085 0.000 1.228 416 N HN 0.546 nan 8.380 nan 0.000 0.509 417 K N 1.661 122.106 120.400 0.076 0.000 2.444 417 K HA 0.250 4.108 4.320 -0.770 0.000 0.193 417 K C 1.042 177.678 176.600 0.059 0.000 1.024 417 K CA 0.495 56.821 56.287 0.064 0.000 1.077 417 K CB -0.133 32.394 32.500 0.045 0.000 0.833 417 K HN 0.506 nan 8.250 nan 0.000 0.517 418 G N 1.016 109.852 108.800 0.061 0.000 2.414 418 G HA2 0.013 3.511 3.960 -0.770 0.000 0.236 418 G HA3 0.013 3.511 3.960 -0.770 0.000 0.236 418 G C 0.578 175.479 174.900 0.002 0.000 1.293 418 G CA -0.088 45.021 45.100 0.016 0.000 0.869 418 G HN 0.262 nan 8.290 nan 0.000 0.556 419 T N -0.628 113.897 114.554 -0.049 0.000 3.043 419 T HA 0.186 4.074 4.350 -0.770 0.000 0.272 419 T C 1.967 176.576 174.700 -0.151 0.000 0.990 419 T CA -0.511 61.544 62.100 -0.076 0.000 0.897 419 T CB 0.325 69.180 68.868 -0.023 0.000 1.111 419 T HN 0.357 nan 8.240 nan 0.000 0.529 420 R N 1.088 121.467 120.500 -0.202 0.000 2.119 420 R HA 0.067 3.945 4.340 -0.770 0.000 0.246 420 R C 0.660 176.767 176.300 -0.321 0.000 1.146 420 R CA 0.893 56.853 56.100 -0.233 0.000 0.962 420 R CB -0.631 29.445 30.300 -0.374 0.000 0.863 420 R HN 0.452 nan 8.270 nan 0.000 0.442 421 L N 1.564 122.425 121.223 -0.604 0.000 2.329 421 L HA 0.250 4.128 4.340 -0.770 0.000 0.279 421 L C -0.519 175.932 176.870 -0.699 0.000 1.014 421 L CA -0.668 53.713 54.840 -0.764 0.000 0.814 421 L CB 1.887 43.137 42.059 -1.348 0.000 1.257 421 L HN -0.151 nan 8.230 nan 0.000 0.424 422 D N 2.592 122.790 120.400 -0.336 0.000 2.479 422 D HA 0.056 4.234 4.640 -0.770 0.000 0.218 422 D C 0.629 176.904 176.300 -0.041 0.000 1.131 422 D CA -0.116 53.795 54.000 -0.149 0.000 0.916 422 D CB 0.711 41.520 40.800 0.015 0.000 1.022 422 D HN 0.469 nan 8.370 nan 0.000 0.515 423 W N 1.414 122.773 121.300 0.099 0.000 2.302 423 W HA -0.265 3.934 4.660 -0.768 0.000 0.320 423 W C 2.356 179.032 176.519 0.261 0.000 1.241 423 W CA 0.511 57.959 57.345 0.173 0.000 1.264 423 W CB -0.122 29.406 29.460 0.113 0.000 1.154 423 W HN 0.344 nan 8.180 nan 0.000 0.483 424 Q N -0.171 119.869 119.800 0.400 0.000 2.172 424 Q HA -0.025 3.854 4.340 -0.770 0.000 0.200 424 Q C 2.295 178.443 176.000 0.245 0.000 0.964 424 Q CA 1.505 57.483 55.803 0.292 0.000 0.855 424 Q CB -1.315 27.548 28.738 0.208 0.000 0.918 424 Q HN 0.397 nan 8.270 nan 0.000 0.444 425 A N 1.482 124.433 122.820 0.219 0.000 1.972 425 A HA -0.065 3.794 4.320 -0.770 0.000 0.219 425 A C 2.128 179.864 177.584 0.254 0.000 1.169 425 A CA 0.847 53.001 52.037 0.195 0.000 0.635 425 A CB -0.589 18.511 19.000 0.167 0.000 0.810 425 A HN 0.297 nan 8.150 nan 0.000 0.446 426 L N -1.254 120.163 121.223 0.324 0.000 2.610 426 L HA 0.150 4.028 4.340 -0.770 0.000 0.232 426 L C 1.689 178.864 176.870 0.508 0.000 1.149 426 L CA 0.564 55.685 54.840 0.469 0.000 0.872 426 L CB -0.173 42.172 42.059 0.476 0.000 0.992 426 L HN 0.596 nan 8.230 nan 0.000 0.447 427 G N -1.425 107.565 108.800 0.317 0.000 2.157 427 G HA2 -0.312 3.186 3.960 -0.770 0.000 0.248 427 G HA3 -0.312 3.186 3.960 -0.770 0.000 0.248 427 G C 0.017 174.940 174.900 0.038 0.000 0.979 427 G CA -0.412 44.773 45.100 0.142 0.000 0.650 427 G HN 0.259 nan 8.290 nan 0.000 0.529 428 Y N 0.575 121.058 120.300 0.305 0.000 2.301 428 Y HA 0.465 4.553 4.550 -0.770 0.000 0.328 428 Y C 1.384 177.382 175.900 0.163 0.000 1.242 428 Y CA -0.110 58.135 58.100 0.241 0.000 1.323 428 Y CB 0.742 39.393 38.460 0.319 0.000 1.266 428 Y HN 0.161 nan 8.280 nan 0.000 0.527 429 Q N 2.600 122.541 119.800 0.234 0.000 2.678 429 Q HA 0.324 4.203 4.340 -0.770 0.000 0.222 429 Q C 0.457 176.511 176.000 0.090 0.000 1.281 429 Q CA -0.036 55.851 55.803 0.141 0.000 0.994 429 Q CB 0.141 28.930 28.738 0.086 0.000 1.452 429 Q HN 0.949 nan 8.270 nan 0.000 0.570 430 G N 2.090 110.954 108.800 0.106 0.000 2.888 430 G HA2 -0.268 3.231 3.960 -0.770 0.000 0.441 430 G HA3 -0.268 3.231 3.960 -0.770 0.000 0.441 430 G C -0.568 174.117 174.900 -0.358 0.000 1.461 430 G CA -0.690 44.399 45.100 -0.020 0.000 0.897 430 G HN 0.669 nan 8.290 nan 0.000 0.547 431 D N 1.020 121.028 120.400 -0.654 0.000 2.502 431 D HA 0.158 4.336 4.640 -0.770 0.000 0.249 431 D C -0.230 175.641 176.300 -0.715 0.000 1.188 431 D CA -0.951 52.339 54.000 -1.185 0.000 0.890 431 D CB 0.856 41.363 40.800 -0.489 0.000 1.140 431 D HN 0.073 nan 8.370 nan 0.000 0.505 432 P HA -0.148 nan 4.420 nan 0.000 0.221 432 P C 1.537 178.670 177.300 -0.279 0.000 1.145 432 P CA 0.845 63.701 63.100 -0.407 0.000 0.795 432 P CB 0.041 31.503 31.700 -0.396 0.000 0.775 433 M N -0.810 118.600 119.600 -0.317 0.000 2.288 433 M HA -0.058 3.960 4.480 -0.770 0.000 0.266 433 M C 1.450 177.643 176.300 -0.178 0.000 1.072 433 M CA 1.536 56.660 55.300 -0.293 0.000 1.132 433 M CB -0.053 32.275 32.600 -0.454 0.000 1.386 433 M HN -0.185 nan 8.290 nan 0.000 0.432 434 K N -0.170 120.136 120.400 -0.157 0.000 2.365 434 K HA 0.024 3.882 4.320 -0.770 0.000 0.197 434 K C -0.088 176.459 176.600 -0.088 0.000 1.042 434 K CA 0.615 56.842 56.287 -0.100 0.000 0.987 434 K CB -0.133 32.319 32.500 -0.080 0.000 0.779 434 K HN 0.333 nan 8.250 nan 0.000 0.484 435 N N 1.119 119.753 118.700 -0.110 0.000 2.710 435 N HA 0.051 4.329 4.740 -0.770 0.000 0.244 435 N C -1.372 174.101 175.510 -0.062 0.000 1.321 435 N CA -0.230 52.774 53.050 -0.077 0.000 0.758 435 N CB 0.507 38.945 38.487 -0.081 0.000 1.284 435 N HN -0.164 nan 8.380 nan 0.000 0.530 436 K N 1.101 121.473 120.400 -0.048 0.000 3.173 436 K HA 0.255 4.114 4.320 -0.770 0.000 0.255 436 K C 0.342 176.934 176.600 -0.013 0.000 1.235 436 K CA 0.017 56.284 56.287 -0.033 0.000 1.250 436 K CB 0.460 32.938 32.500 -0.037 0.000 1.382 436 K HN 0.465 nan 8.250 nan 0.000 0.421 437 Q N -1.111 118.687 119.800 -0.003 0.000 2.279 437 Q HA 0.227 4.105 4.340 -0.770 0.000 0.261 437 Q C 1.418 177.427 176.000 0.015 0.000 0.796 437 Q CA 0.393 56.198 55.803 0.004 0.000 0.971 437 Q CB 0.998 29.736 28.738 0.000 0.000 1.179 437 Q HN 0.484 nan 8.270 nan 0.000 0.505 438 G N 1.218 110.035 108.800 0.029 0.000 2.894 438 G HA2 0.220 3.718 3.960 -0.770 0.000 0.202 438 G HA3 0.220 3.718 3.960 -0.770 0.000 0.202 438 G C -2.074 172.851 174.900 0.042 0.000 1.130 438 G CA 0.105 45.225 45.100 0.034 0.000 0.820 438 G HN 0.116 nan 8.290 nan 0.000 0.647 439 P HA 0.575 nan 4.420 nan 0.000 0.305 439 P C -1.666 175.727 177.300 0.155 0.000 1.387 439 P CA -0.577 62.569 63.100 0.076 0.000 0.903 439 P CB 1.658 33.438 31.700 0.134 0.000 0.979 440 K N 0.576 121.024 120.400 0.080 0.000 2.468 440 K HA 0.464 4.323 4.320 -0.770 0.000 0.252 440 K C -0.542 176.129 176.600 0.119 0.000 0.932 440 K CA -1.002 55.386 56.287 0.168 0.000 0.794 440 K CB 0.911 33.480 32.500 0.114 0.000 1.241 440 K HN 0.301 nan 8.250 nan 0.000 0.428 441 H N 2.415 121.564 119.070 0.133 0.000 3.125 441 H HA 0.218 4.312 4.556 -0.769 0.000 0.310 441 H C -0.707 174.626 175.328 0.008 0.000 0.980 441 H CA 1.342 57.428 56.048 0.063 0.000 1.422 441 H CB 0.185 30.116 29.762 0.281 0.000 1.432 441 H HN 0.715 nan 8.280 nan 0.000 0.577 442 K N 0.000 120.160 120.400 -0.400 0.000 2.780 442 K HA 0.000 3.858 4.320 -0.770 0.000 0.191 442 K CA 0.000 55.954 56.287 -0.555 0.000 0.838 442 K CB 0.000 32.278 32.500 -0.371 0.000 1.064 442 K HN 0.000 nan 8.250 nan 0.000 0.543