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 1hcm_1_B DATA FIRST_RESID 39 DATA SEQUENCE APGAPEGVSA LSDAQYNEAN KIYFERCAGC HGVLRKGATG KALTPDLTRD DATA SEQUENCE LGFDYLQSFI TYGSPAGMPN WGTSGELSAE QVDLMANYLL LDPAAPPEFG DATA SEQUENCE MKEMRESWKV HVAPEDRPTQ QENDWDLENL FSVTLRDAGQ IALIDGATYE DATA SEQUENCE IKSVLDTGYA VHISRLSASG RYLFVIGRDG KVNMIDLWMK EPTTVAEIKI DATA SEQUENCE GSEARSIETS KMEGWEDKYA IAGAYWPPQY VIMDGETLEP KKIQSTRGMT DATA SEQUENCE YDEQEYHPEP RVAAILASHY RPEFIVNVKE TGKILLVDYT DLDNLKTTEI DATA SEQUENCE SAERFLHDGG LDGSHRYFIT AANARNKLVV IDTKEGKLVA IEDTGGQTPH DATA SEQUENCE PGRGANFVHP TFGPVWATSH MGDDSVALIG TDPEGHPDNA WKILDSFPAL DATA SEQUENCE GGGSLFIKTH PNSQYLYVDA TLNPEAEISG SVAVFDIKAM TGDGSDPEFK DATA SEQUENCE TLPIAEWAGI TEGQPRVVQG EFNKDGTEVW FSVWNGKDQE SALVVVDDKT DATA SEQUENCE LELKHVIKDE RLVTPTGKFN VYNTMTDTY 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.572 177.584 -0.020 0.000 1.274 39 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 39 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 40 P HA -0.133 nan 4.420 nan 0.000 0.217 40 P C 1.516 178.805 177.300 -0.019 0.000 1.158 40 P CA 2.475 65.564 63.100 -0.019 0.000 0.887 40 P CB -0.227 31.462 31.700 -0.019 0.000 0.792 41 G N -1.661 107.129 108.800 -0.017 0.000 2.985 41 G HA2 0.261 4.221 3.960 0.000 0.000 0.209 41 G HA3 0.261 4.221 3.960 0.000 0.000 0.209 41 G C 0.587 175.479 174.900 -0.014 0.000 1.165 41 G CA 0.369 45.460 45.100 -0.015 0.000 0.776 41 G HN 0.478 nan 8.290 nan 0.000 0.541 42 A N 0.728 123.540 122.820 -0.014 0.000 2.346 42 A HA 0.578 4.898 4.320 0.000 0.000 0.252 42 A C -0.433 177.143 177.584 -0.012 0.000 1.089 42 A CA -0.830 51.199 52.037 -0.013 0.000 0.797 42 A CB 0.553 19.545 19.000 -0.014 0.000 1.047 42 A HN 0.082 nan 8.150 nan 0.000 0.494 43 P HA -0.185 nan 4.420 nan 0.000 0.214 43 P C 0.689 177.984 177.300 -0.009 0.000 1.169 43 P CA 1.871 64.965 63.100 -0.009 0.000 0.908 43 P CB 0.083 31.779 31.700 -0.008 0.000 0.791 44 E N -0.792 119.401 120.200 -0.011 0.000 2.489 44 E HA 0.152 4.502 4.350 0.000 0.000 0.193 44 E C 1.174 177.767 176.600 -0.012 0.000 1.057 44 E CA -0.242 56.151 56.400 -0.011 0.000 0.866 44 E CB -0.332 29.361 29.700 -0.012 0.000 0.916 44 E HN 0.186 nan 8.360 nan 0.000 0.500 45 G N 1.098 109.890 108.800 -0.014 0.000 2.491 45 G HA2 0.240 4.200 3.960 0.000 0.000 0.238 45 G HA3 0.240 4.200 3.960 0.000 0.000 0.238 45 G C -0.121 174.770 174.900 -0.015 0.000 1.277 45 G CA -0.316 44.775 45.100 -0.016 0.000 0.851 45 G HN -0.027 nan 8.290 nan 0.000 0.573 46 V N 0.681 120.586 119.914 -0.015 0.000 2.960 46 V HA 0.412 4.532 4.120 0.000 0.000 0.315 46 V C 0.834 176.918 176.094 -0.017 0.000 1.087 46 V CA -0.799 61.494 62.300 -0.012 0.000 0.982 46 V CB 1.976 33.799 31.823 0.001 0.000 1.039 46 V HN 0.830 nan 8.190 nan 0.000 0.437 47 S N 2.742 118.424 115.700 -0.031 0.000 3.106 47 S HA 0.223 4.693 4.470 0.000 0.000 0.304 47 S C 0.567 175.165 174.600 -0.004 0.000 1.118 47 S CA -0.082 58.094 58.200 -0.040 0.000 1.403 47 S CB -1.124 62.017 63.200 -0.098 0.000 1.555 47 S HN 1.129 nan 8.310 nan 0.000 0.584 48 A N 5.062 127.882 122.820 0.001 0.000 2.492 48 A HA 0.426 4.746 4.320 0.000 0.000 0.236 48 A C 0.221 177.829 177.584 0.041 0.000 1.078 48 A CA -0.038 52.010 52.037 0.018 0.000 0.773 48 A CB 0.166 19.165 19.000 -0.003 0.000 1.023 48 A HN 0.835 nan 8.150 nan 0.000 0.504 49 L N 1.237 122.508 121.223 0.079 0.000 2.334 49 L HA 0.451 4.791 4.340 0.000 0.000 0.272 49 L C 0.999 177.924 176.870 0.092 0.000 1.020 49 L CA -0.665 54.239 54.840 0.107 0.000 0.812 49 L CB 1.797 43.969 42.059 0.189 0.000 1.264 49 L HN 0.911 nan 8.230 nan 0.000 0.439 50 S N -0.780 114.969 115.700 0.082 0.000 2.580 50 S HA 0.017 4.487 4.470 0.000 0.000 0.266 50 S C 0.523 175.181 174.600 0.098 0.000 1.354 50 S CA -0.486 57.753 58.200 0.066 0.000 1.008 50 S CB 0.779 64.012 63.200 0.055 0.000 0.898 50 S HN 0.623 nan 8.310 nan 0.000 0.555 51 D N 1.510 121.952 120.400 0.069 0.000 2.149 51 D HA -0.047 4.593 4.640 0.000 0.000 0.198 51 D C 2.137 178.518 176.300 0.134 0.000 0.990 51 D CA 1.795 55.847 54.000 0.086 0.000 0.839 51 D CB -0.798 40.028 40.800 0.043 0.000 0.948 51 D HN 0.707 nan 8.370 nan 0.000 0.460 52 A N 0.459 123.339 122.820 0.101 0.000 1.929 52 A HA -0.170 4.150 4.320 0.000 0.000 0.216 52 A C 2.122 179.770 177.584 0.107 0.000 1.176 52 A CA 1.109 53.203 52.037 0.094 0.000 0.628 52 A CB -0.463 18.575 19.000 0.064 0.000 0.816 52 A HN 0.170 nan 8.150 nan 0.000 0.444 53 Q N -1.987 117.881 119.800 0.114 0.000 2.079 53 Q HA -0.186 4.154 4.340 0.000 0.000 0.200 53 Q C 1.947 178.033 176.000 0.144 0.000 0.974 53 Q CA 1.713 57.581 55.803 0.108 0.000 0.840 53 Q CB -0.319 28.481 28.738 0.103 0.000 0.898 53 Q HN 0.833 nan 8.270 nan 0.000 0.430 54 Y N 1.734 122.087 120.300 0.088 0.000 2.207 54 Y HA -0.248 4.302 4.550 0.000 0.000 0.287 54 Y C 1.774 177.760 175.900 0.144 0.000 1.156 54 Y CA 1.383 59.568 58.100 0.141 0.000 1.182 54 Y CB 0.034 38.566 38.460 0.119 0.000 0.979 54 Y HN 0.154 nan 8.280 nan 0.000 0.521 55 N N 0.415 119.239 118.700 0.206 0.000 2.188 55 N HA -0.194 4.546 4.740 0.000 0.000 0.184 55 N C 1.844 177.371 175.510 0.028 0.000 1.018 55 N CA 1.552 54.679 53.050 0.128 0.000 0.858 55 N CB -0.409 38.161 38.487 0.139 0.000 0.989 55 N HN 0.623 nan 8.380 nan 0.000 0.426 56 E N 0.910 121.117 120.200 0.011 0.000 2.047 56 E HA -0.071 4.279 4.350 0.000 0.000 0.191 56 E C 1.863 178.392 176.600 -0.119 0.000 0.987 56 E CA 0.982 57.365 56.400 -0.028 0.000 0.799 56 E CB -0.002 29.691 29.700 -0.012 0.000 0.752 56 E HN 0.264 nan 8.360 nan 0.000 0.449 57 A N 1.164 123.873 122.820 -0.185 0.000 1.877 57 A HA -0.253 4.067 4.320 0.000 0.000 0.216 57 A C 2.035 179.221 177.584 -0.663 0.000 1.186 57 A CA 1.879 53.673 52.037 -0.406 0.000 0.620 57 A CB -0.965 17.814 19.000 -0.369 0.000 0.822 57 A HN 0.360 nan 8.150 nan 0.000 0.443 58 N N -0.244 118.143 118.700 -0.522 0.000 2.104 58 N HA -0.194 4.547 4.740 0.000 0.000 0.190 58 N C 1.736 177.253 175.510 0.012 0.000 1.024 58 N CA 1.959 54.851 53.050 -0.263 0.000 0.853 58 N CB -0.246 38.226 38.487 -0.024 0.000 1.008 58 N HN 0.586 nan 8.380 nan 0.000 0.424 59 K N 0.280 120.681 120.400 0.001 0.000 2.002 59 K HA -0.077 4.243 4.320 0.000 0.000 0.209 59 K C 1.964 178.569 176.600 0.007 0.000 1.048 59 K CA 1.288 57.619 56.287 0.073 0.000 0.930 59 K CB -0.237 32.286 32.500 0.039 0.000 0.714 59 K HN 0.206 nan 8.250 nan 0.000 0.438 60 I N 0.473 120.972 120.570 -0.118 0.000 2.264 60 I HA -0.291 3.879 4.170 0.000 0.000 0.248 60 I C 2.331 178.292 176.117 -0.260 0.000 1.111 60 I CA 1.210 62.395 61.300 -0.192 0.000 1.382 60 I CB -0.332 37.515 38.000 -0.255 0.000 1.060 60 I HN 0.268 nan 8.210 nan 0.000 0.418 61 Y N 1.078 121.105 120.300 -0.456 0.000 2.114 61 Y HA -0.287 4.263 4.550 0.000 0.000 0.284 61 Y C 2.176 177.834 175.900 -0.402 0.000 1.143 61 Y CA 1.746 59.520 58.100 -0.543 0.000 1.135 61 Y CB -0.408 37.556 38.460 -0.828 0.000 0.980 61 Y HN -0.012 nan 8.280 nan 0.000 0.499 62 F N 0.529 120.434 119.950 -0.075 0.000 2.259 62 F HA -0.084 4.443 4.527 0.000 0.000 0.298 62 F C 2.239 178.000 175.800 -0.065 0.000 1.088 62 F CA 1.532 59.503 58.000 -0.047 0.000 1.358 62 F CB -0.394 38.678 39.000 0.119 0.000 1.040 62 F HN 0.138 nan 8.300 nan 0.000 0.505 63 E N -0.197 120.058 120.200 0.092 0.000 2.170 63 E HA -0.020 4.330 4.350 0.000 0.000 0.191 63 E C 1.587 178.188 176.600 0.002 0.000 0.981 63 E CA 0.686 57.131 56.400 0.074 0.000 0.830 63 E CB 0.019 29.771 29.700 0.088 0.000 0.775 63 E HN 0.442 nan 8.360 nan 0.000 0.470 64 R N -1.134 119.297 120.500 -0.116 0.000 2.521 64 R HA 0.244 4.584 4.340 0.000 0.000 0.289 64 R C 1.329 177.535 176.300 -0.157 0.000 0.936 64 R CA 0.018 56.062 56.100 -0.094 0.000 1.089 64 R CB 0.622 30.797 30.300 -0.209 0.000 1.348 64 R HN 0.097 nan 8.270 nan 0.000 0.536 65 C N -0.430 118.642 119.300 -0.379 0.000 2.735 65 C HA 0.348 4.808 4.460 0.000 0.000 0.444 65 C C 2.576 177.302 174.990 -0.439 0.000 1.331 65 C CA 0.305 59.089 59.018 -0.390 0.000 2.225 65 C CB 0.205 27.587 27.740 -0.597 0.000 2.917 65 C HN 0.493 nan 8.230 nan 0.000 0.567 66 A N 1.662 124.040 122.820 -0.737 0.000 2.032 66 A HA 0.012 4.332 4.320 0.000 0.000 0.221 66 A C 2.262 179.791 177.584 -0.090 0.000 1.165 66 A CA 2.186 54.004 52.037 -0.366 0.000 0.645 66 A CB -1.229 17.668 19.000 -0.172 0.000 0.807 66 A HN 0.603 nan 8.150 nan 0.000 0.453 67 G N -1.208 107.545 108.800 -0.079 0.000 2.469 67 G HA2 -0.294 3.666 3.960 0.000 0.000 0.219 67 G HA3 -0.294 3.666 3.960 0.000 0.000 0.219 67 G C 1.439 176.314 174.900 -0.041 0.000 1.150 67 G CA 1.536 46.620 45.100 -0.028 0.000 0.763 67 G HN 0.565 nan 8.290 nan 0.000 0.561 68 C N -1.501 117.745 119.300 -0.089 0.000 2.820 68 C HA 0.338 4.798 4.460 0.000 0.000 0.323 68 C C 1.948 176.791 174.990 -0.245 0.000 1.279 68 C CA -0.191 58.718 59.018 -0.181 0.000 1.790 68 C CB -0.430 27.138 27.740 -0.286 0.000 2.328 68 C HN 0.492 nan 8.230 nan 0.000 0.579 69 H N 0.730 119.807 119.070 0.012 0.000 2.622 69 H HA 0.306 4.862 4.556 0.000 0.000 0.269 69 H C 1.310 176.702 175.328 0.106 0.000 0.977 69 H CA 1.203 57.291 56.048 0.066 0.000 1.179 69 H CB 0.214 30.041 29.762 0.109 0.000 1.458 69 H HN 0.529 nan 8.280 nan 0.000 0.531 70 G N 0.725 109.625 108.800 0.168 0.000 2.721 70 G HA2 -0.250 3.710 3.960 0.000 0.000 0.686 70 G HA3 -0.250 3.710 3.960 0.000 0.000 0.686 70 G C 1.029 176.062 174.900 0.223 0.000 1.236 70 G CA -0.025 45.177 45.100 0.171 0.000 0.786 70 G HN 0.281 nan 8.290 nan 0.000 0.616 71 V N -0.487 119.542 119.914 0.192 0.000 2.626 71 V HA 0.137 4.257 4.120 0.000 0.000 0.252 71 V C 2.223 178.453 176.094 0.226 0.000 1.067 71 V CA 2.234 64.702 62.300 0.279 0.000 1.081 71 V CB -0.451 31.400 31.823 0.047 0.000 0.686 71 V HN 0.721 nan 8.190 nan 0.000 0.468 72 L N -0.268 121.010 121.223 0.092 0.000 2.769 72 L HA 0.439 4.779 4.340 0.000 0.000 0.240 72 L C 1.233 178.120 176.870 0.028 0.000 1.163 72 L CA -0.138 54.722 54.840 0.033 0.000 0.962 72 L CB -0.040 42.009 42.059 -0.015 0.000 1.258 72 L HN 0.307 nan 8.230 nan 0.000 0.513 73 R N -0.739 119.817 120.500 0.093 0.000 3.951 73 R HA -0.206 4.134 4.340 0.000 0.000 0.352 73 R C 0.782 177.126 176.300 0.074 0.000 1.178 73 R CA 0.790 56.940 56.100 0.083 0.000 0.949 73 R CB -1.921 28.332 30.300 -0.079 0.000 1.452 73 R HN 0.386 nan 8.270 nan 0.000 0.540 74 K N 1.219 121.666 120.400 0.077 0.000 2.525 74 K HA 0.108 4.428 4.320 0.000 0.000 0.192 74 K C 1.015 177.669 176.600 0.089 0.000 1.029 74 K CA 0.719 57.045 56.287 0.065 0.000 1.029 74 K CB 0.390 32.921 32.500 0.051 0.000 0.814 74 K HN 0.521 nan 8.250 nan 0.000 0.503 75 G N 0.205 109.083 108.800 0.130 0.000 2.712 75 G HA2 -0.007 3.953 3.960 0.000 0.000 0.686 75 G HA3 -0.007 3.953 3.960 0.000 0.000 0.686 75 G C -0.278 174.684 174.900 0.102 0.000 1.321 75 G CA -0.513 44.670 45.100 0.137 0.000 0.813 75 G HN 0.293 nan 8.290 nan 0.000 0.599 76 A N -0.591 122.269 122.820 0.068 0.000 2.098 76 A HA 0.849 5.169 4.320 0.000 0.000 0.179 76 A C 2.177 179.780 177.584 0.033 0.000 1.358 76 A CA 1.230 53.304 52.037 0.061 0.000 1.998 76 A CB -0.659 18.378 19.000 0.062 0.000 2.323 76 A HN 2.382 nan 8.150 nan 0.000 0.955 77 T N -1.149 113.403 114.554 -0.004 0.000 2.951 77 T HA 0.345 4.695 4.350 0.000 0.000 0.268 77 T C 1.027 175.703 174.700 -0.039 0.000 1.073 77 T CA 1.142 63.246 62.100 0.006 0.000 1.134 77 T CB -0.558 68.319 68.868 0.016 0.000 0.884 77 T HN 1.094 nan 8.240 nan 0.000 0.479 78 G N 0.563 109.271 108.800 -0.154 0.000 2.434 78 G HA2 0.551 4.511 3.960 0.000 0.000 0.330 78 G HA3 0.551 4.511 3.960 0.000 0.000 0.330 78 G C -0.683 174.234 174.900 0.029 0.000 1.155 78 G CA -1.021 43.939 45.100 -0.233 0.000 0.917 78 G HN 0.286 nan 8.290 nan 0.000 0.493 79 K N -0.095 120.400 120.400 0.159 0.000 2.276 79 K HA 0.393 4.713 4.320 0.000 0.000 0.259 79 K C 0.717 177.441 176.600 0.206 0.000 1.001 79 K CA -0.085 56.291 56.287 0.148 0.000 0.927 79 K CB 0.777 33.319 32.500 0.070 0.000 0.969 79 K HN 0.561 nan 8.250 nan 0.000 0.490 80 A N 2.165 125.046 122.820 0.102 0.000 2.462 80 A HA 0.168 4.488 4.320 0.000 0.000 0.243 80 A C 0.248 177.840 177.584 0.013 0.000 1.076 80 A CA 0.011 52.092 52.037 0.073 0.000 0.773 80 A CB -0.152 18.873 19.000 0.041 0.000 1.010 80 A HN 0.696 nan 8.150 nan 0.000 0.493 81 L N 2.611 123.823 121.223 -0.018 0.000 3.288 81 L HA 0.160 4.500 4.340 0.000 0.000 0.293 81 L C 0.618 177.433 176.870 -0.092 0.000 1.294 81 L CA -0.265 54.523 54.840 -0.088 0.000 1.006 81 L CB -0.066 41.889 42.059 -0.174 0.000 1.407 81 L HN 0.858 nan 8.230 nan 0.000 0.592 82 T N -3.315 111.202 114.554 -0.063 0.000 2.899 82 T HA 0.191 4.541 4.350 0.000 0.000 0.295 82 T C -1.384 173.274 174.700 -0.070 0.000 1.033 82 T CA -1.464 60.593 62.100 -0.071 0.000 1.084 82 T CB 0.936 69.776 68.868 -0.045 0.000 0.979 82 T HN -0.067 nan 8.240 nan 0.000 0.532 83 P HA -0.200 nan 4.420 nan 0.000 0.216 83 P C 1.314 178.587 177.300 -0.044 0.000 1.150 83 P CA 1.510 64.572 63.100 -0.064 0.000 0.843 83 P CB -0.019 31.640 31.700 -0.068 0.000 0.787 84 D N 0.425 120.802 120.400 -0.039 0.000 2.123 84 D HA -0.171 4.469 4.640 0.000 0.000 0.196 84 D C 2.078 178.359 176.300 -0.031 0.000 0.992 84 D CA 1.200 55.182 54.000 -0.030 0.000 0.833 84 D CB -1.056 39.728 40.800 -0.026 0.000 0.954 84 D HN 0.247 nan 8.370 nan 0.000 0.455 85 L N 0.111 121.313 121.223 -0.035 0.000 2.162 85 L HA -0.008 4.332 4.340 0.000 0.000 0.205 85 L C 2.719 179.562 176.870 -0.046 0.000 1.086 85 L CA 1.034 55.850 54.840 -0.040 0.000 0.778 85 L CB -0.438 41.599 42.059 -0.036 0.000 0.928 85 L HN 0.004 nan 8.230 nan 0.000 0.446 86 T N -0.524 114.006 114.554 -0.040 0.000 2.867 86 T HA -0.120 4.230 4.350 0.000 0.000 0.268 86 T C 2.050 176.745 174.700 -0.009 0.000 1.057 86 T CA 1.042 63.126 62.100 -0.027 0.000 1.136 86 T CB -0.090 68.756 68.868 -0.037 0.000 0.874 86 T HN 0.242 nan 8.240 nan 0.000 0.466 87 R N 0.900 121.391 120.500 -0.014 0.000 2.092 87 R HA -0.059 4.281 4.340 0.000 0.000 0.231 87 R C 1.941 178.238 176.300 -0.004 0.000 1.119 87 R CA 1.346 57.446 56.100 -0.000 0.000 0.970 87 R CB -0.211 30.085 30.300 -0.007 0.000 0.864 87 R HN 0.330 nan 8.270 nan 0.000 0.440 88 D N 0.544 120.928 120.400 -0.027 0.000 2.264 88 D HA -0.082 4.558 4.640 0.000 0.000 0.208 88 D C 1.833 178.091 176.300 -0.071 0.000 0.966 88 D CA 0.873 54.848 54.000 -0.042 0.000 0.864 88 D CB 0.051 40.819 40.800 -0.053 0.000 0.933 88 D HN 0.213 nan 8.370 nan 0.000 0.499 89 L N -0.309 120.860 121.223 -0.090 0.000 2.162 89 L HA 0.188 4.528 4.340 0.000 0.000 0.205 89 L C 1.232 178.104 176.870 0.003 0.000 1.086 89 L CA 0.439 55.175 54.840 -0.172 0.000 0.778 89 L CB -0.589 41.333 42.059 -0.229 0.000 0.928 89 L HN 0.071 nan 8.230 nan 0.000 0.446 90 G N -0.611 108.227 108.800 0.064 0.000 2.755 90 G HA2 -0.331 3.629 3.960 0.000 0.000 0.686 90 G HA3 -0.331 3.629 3.960 0.000 0.000 0.686 90 G C 0.069 175.088 174.900 0.199 0.000 1.427 90 G CA -0.008 45.173 45.100 0.135 0.000 0.873 90 G HN 0.114 nan 8.290 nan 0.000 0.580 91 F N 0.649 120.649 119.950 0.084 0.000 2.063 91 F HA -0.189 4.338 4.527 0.000 0.000 0.298 91 F C 2.435 178.301 175.800 0.109 0.000 1.109 91 F CA 2.904 60.955 58.000 0.084 0.000 1.212 91 F CB -0.072 38.963 39.000 0.058 0.000 0.973 91 F HN 0.590 nan 8.300 nan 0.000 0.480 92 D N -1.225 119.292 120.400 0.194 0.000 2.117 92 D HA -0.258 4.382 4.640 0.000 0.000 0.197 92 D C 2.021 178.352 176.300 0.051 0.000 0.987 92 D CA 1.790 55.847 54.000 0.094 0.000 0.829 92 D CB -0.700 40.221 40.800 0.201 0.000 0.961 92 D HN 0.456 nan 8.370 nan 0.000 0.460 93 Y N 1.986 122.299 120.300 0.022 0.000 2.114 93 Y HA -0.196 4.354 4.550 0.000 0.000 0.284 93 Y C 2.405 178.341 175.900 0.059 0.000 1.143 93 Y CA 1.319 59.456 58.100 0.063 0.000 1.135 93 Y CB -0.465 38.043 38.460 0.081 0.000 0.980 93 Y HN -0.145 nan 8.280 nan 0.000 0.499 94 L N 0.322 121.634 121.223 0.149 0.000 2.013 94 L HA -0.315 4.025 4.340 0.000 0.000 0.212 94 L C 2.720 179.508 176.870 -0.137 0.000 1.073 94 L CA 2.065 56.911 54.840 0.009 0.000 0.753 94 L CB -0.866 41.174 42.059 -0.031 0.000 0.890 94 L HN 0.364 nan 8.230 nan 0.000 0.432 95 Q N 0.173 119.785 119.800 -0.313 0.000 2.096 95 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 95 Q C 2.366 178.271 176.000 -0.158 0.000 0.982 95 Q CA 2.339 57.937 55.803 -0.341 0.000 0.850 95 Q CB -0.014 28.399 28.738 -0.542 0.000 0.901 95 Q HN 0.628 nan 8.270 nan 0.000 0.422 96 S N -0.604 115.036 115.700 -0.101 0.000 2.368 96 S HA -0.130 4.340 4.470 0.000 0.000 0.224 96 S C 1.768 176.372 174.600 0.007 0.000 1.029 96 S CA 0.768 58.966 58.200 -0.004 0.000 0.988 96 S CB -0.682 62.526 63.200 0.012 0.000 0.838 96 S HN 0.436 nan 8.310 nan 0.000 0.462 97 F N 2.215 122.041 119.950 -0.208 0.000 2.146 97 F HA 0.180 4.707 4.527 0.000 0.000 0.298 97 F C 2.012 177.789 175.800 -0.039 0.000 1.096 97 F CA 0.588 58.495 58.000 -0.155 0.000 1.275 97 F CB -0.466 38.378 39.000 -0.261 0.000 1.008 97 F HN 0.150 nan 8.300 nan 0.000 0.480 98 I N -1.022 119.665 120.570 0.195 0.000 2.361 98 I HA -0.298 3.872 4.170 0.000 0.000 0.251 98 I C 2.121 178.312 176.117 0.123 0.000 1.133 98 I CA 1.573 62.981 61.300 0.179 0.000 1.413 98 I CB -0.704 37.319 38.000 0.038 0.000 1.073 98 I HN 0.066 nan 8.210 nan 0.000 0.424 99 T N -0.629 113.885 114.554 -0.067 0.000 2.812 99 T HA -0.111 4.239 4.350 0.000 0.000 0.264 99 T C 1.390 175.839 174.700 -0.419 0.000 1.042 99 T CA 1.466 63.382 62.100 -0.306 0.000 1.140 99 T CB -0.183 68.312 68.868 -0.622 0.000 0.870 99 T HN 0.264 nan 8.240 nan 0.000 0.445 100 Y N 0.692 120.974 120.300 -0.030 0.000 2.462 100 Y HA 0.434 4.984 4.550 0.000 0.000 0.253 100 Y C 1.817 177.655 175.900 -0.102 0.000 1.095 100 Y CA -0.309 57.740 58.100 -0.085 0.000 1.283 100 Y CB -0.375 37.997 38.460 -0.147 0.000 1.138 100 Y HN 0.354 nan 8.280 nan 0.000 0.522 101 G N 1.066 109.906 108.800 0.066 0.000 2.633 101 G HA2 -0.103 3.857 3.960 0.000 0.000 0.263 101 G HA3 -0.103 3.857 3.960 0.000 0.000 0.263 101 G C -0.089 174.772 174.900 -0.065 0.000 1.310 101 G CA 0.143 45.301 45.100 0.096 0.000 0.914 101 G HN 0.878 nan 8.290 nan 0.000 0.569 102 S N -1.665 114.056 115.700 0.034 0.000 2.588 102 S HA 0.737 5.207 4.470 0.000 0.000 0.269 102 S C -2.336 172.286 174.600 0.036 0.000 1.157 102 S CA -0.016 58.180 58.200 -0.006 0.000 0.824 102 S CB 1.967 65.184 63.200 0.028 0.000 1.126 102 S HN 0.576 nan 8.310 nan 0.000 0.464 103 P HA 0.208 nan 4.420 nan 0.000 0.230 103 P C 1.021 178.354 177.300 0.054 0.000 1.158 103 P CA 0.995 64.113 63.100 0.031 0.000 0.769 103 P CB -0.180 31.529 31.700 0.015 0.000 0.807 104 A N -0.697 122.168 122.820 0.075 0.000 2.238 104 A HA 0.459 4.779 4.320 0.000 0.000 0.208 104 A C 1.631 179.274 177.584 0.098 0.000 1.177 104 A CA 0.909 52.998 52.037 0.086 0.000 0.804 104 A CB -0.894 18.166 19.000 0.101 0.000 0.823 104 A HN 0.272 nan 8.150 nan 0.000 0.482 105 G N -2.345 106.508 108.800 0.090 0.000 2.273 105 G HA2 -0.063 3.897 3.960 0.000 0.000 0.162 105 G HA3 -0.063 3.897 3.960 0.000 0.000 0.162 105 G C -0.006 174.910 174.900 0.027 0.000 1.006 105 G CA 0.083 45.225 45.100 0.070 0.000 0.704 105 G HN 0.545 nan 8.290 nan 0.000 0.487 106 M N 2.785 122.427 119.600 0.070 0.000 2.088 106 M HA 0.653 5.133 4.480 0.000 0.000 0.346 106 M C -2.443 173.812 176.300 -0.074 0.000 1.111 106 M CA -2.989 52.352 55.300 0.067 0.000 1.017 106 M CB 1.013 33.780 32.600 0.279 0.000 1.568 106 M HN -0.087 nan 8.290 nan 0.000 0.445 107 P HA 0.057 nan 4.420 nan 0.000 0.266 107 P C -1.002 175.994 177.300 -0.506 0.000 1.193 107 P CA 0.188 62.871 63.100 -0.695 0.000 0.770 107 P CB 0.135 30.835 31.700 -1.668 0.000 0.836 108 N N 2.089 120.582 118.700 -0.345 0.000 3.034 108 N HA 0.004 4.744 4.740 0.000 0.000 0.265 108 N C 0.373 175.794 175.510 -0.148 0.000 1.166 108 N CA -0.393 52.565 53.050 -0.153 0.000 1.081 108 N CB -0.322 38.134 38.487 -0.052 0.000 1.378 108 N HN 0.456 nan 8.380 nan 0.000 0.520 109 W N 1.687 122.968 121.300 -0.033 0.000 2.321 109 W HA -0.088 4.572 4.660 0.000 0.000 0.306 109 W C 2.297 178.791 176.519 -0.042 0.000 1.217 109 W CA 1.386 58.717 57.345 -0.023 0.000 1.257 109 W CB -0.455 28.985 29.460 -0.034 0.000 1.145 109 W HN 0.496 nan 8.180 nan 0.000 0.509 110 G N -0.119 108.750 108.800 0.115 0.000 2.464 110 G HA2 -0.272 3.688 3.960 0.000 0.000 0.214 110 G HA3 -0.272 3.688 3.960 0.000 0.000 0.214 110 G C 1.420 176.298 174.900 -0.037 0.000 1.218 110 G CA 2.112 47.203 45.100 -0.015 0.000 0.794 110 G HN 0.281 nan 8.290 nan 0.000 0.542 111 T N -0.308 114.200 114.554 -0.077 0.000 3.072 111 T HA -0.046 4.304 4.350 0.000 0.000 0.266 111 T C 2.370 177.077 174.700 0.012 0.000 1.127 111 T CA 1.703 63.790 62.100 -0.021 0.000 1.107 111 T CB -0.228 68.655 68.868 0.025 0.000 0.910 111 T HN 0.405 nan 8.240 nan 0.000 0.513 112 S N 0.368 116.077 115.700 0.015 0.000 2.496 112 S HA 0.420 4.890 4.470 0.000 0.000 0.224 112 S C 2.087 176.716 174.600 0.048 0.000 0.996 112 S CA 0.466 58.681 58.200 0.025 0.000 0.927 112 S CB -0.556 62.648 63.200 0.007 0.000 0.774 112 S HN 1.120 nan 8.310 nan 0.000 0.524 113 G N 0.954 109.791 108.800 0.062 0.000 2.217 113 G HA2 -0.312 3.648 3.960 0.000 0.000 0.246 113 G HA3 -0.312 3.648 3.960 0.000 0.000 0.246 113 G C 0.623 175.590 174.900 0.111 0.000 0.990 113 G CA 0.517 45.659 45.100 0.070 0.000 0.627 113 G HN 0.437 nan 8.290 nan 0.000 0.522 114 E N -0.041 120.259 120.200 0.166 0.000 2.086 114 E HA -0.003 4.347 4.350 0.000 0.000 0.200 114 E C 1.352 178.110 176.600 0.263 0.000 1.012 114 E CA 1.317 57.884 56.400 0.278 0.000 0.812 114 E CB -0.075 29.918 29.700 0.488 0.000 0.743 114 E HN 0.652 nan 8.360 nan 0.000 0.453 115 L N 0.037 121.403 121.223 0.240 0.000 2.346 115 L HA 0.319 4.659 4.340 0.000 0.000 0.274 115 L C 0.155 177.069 176.870 0.073 0.000 1.007 115 L CA -0.971 53.941 54.840 0.121 0.000 0.818 115 L CB 1.913 44.011 42.059 0.065 0.000 1.284 115 L HN -0.000 nan 8.230 nan 0.000 0.424 116 S N 1.352 117.077 115.700 0.042 0.000 2.589 116 S HA 0.226 4.696 4.470 0.000 0.000 0.265 116 S C 1.165 175.778 174.600 0.021 0.000 1.342 116 S CA 0.045 58.264 58.200 0.032 0.000 1.005 116 S CB 1.434 64.649 63.200 0.026 0.000 0.909 116 S HN 0.727 nan 8.310 nan 0.000 0.555 117 A N 0.427 123.258 122.820 0.019 0.000 1.972 117 A HA -0.082 4.238 4.320 0.000 0.000 0.219 117 A C 2.143 179.743 177.584 0.025 0.000 1.169 117 A CA 1.598 53.643 52.037 0.014 0.000 0.635 117 A CB -1.028 17.982 19.000 0.016 0.000 0.810 117 A HN 1.000 nan 8.150 nan 0.000 0.446 118 E N -0.351 119.866 120.200 0.029 0.000 2.106 118 E HA -0.209 4.141 4.350 0.000 0.000 0.192 118 E C 2.114 178.731 176.600 0.029 0.000 0.984 118 E CA 1.084 57.507 56.400 0.038 0.000 0.806 118 E CB -0.118 29.602 29.700 0.033 0.000 0.750 118 E HN 0.771 nan 8.360 nan 0.000 0.458 119 Q N -0.094 119.710 119.800 0.007 0.000 2.119 119 Q HA -0.118 4.222 4.340 0.000 0.000 0.201 119 Q C 2.324 178.299 176.000 -0.042 0.000 0.972 119 Q CA 1.331 57.120 55.803 -0.024 0.000 0.847 119 Q CB 0.141 28.854 28.738 -0.042 0.000 0.903 119 Q HN 0.212 nan 8.270 nan 0.000 0.433 120 V N 1.700 121.595 119.914 -0.031 0.000 2.392 120 V HA -0.266 3.854 4.120 0.000 0.000 0.249 120 V C 1.725 177.798 176.094 -0.034 0.000 1.059 120 V CA 1.883 64.152 62.300 -0.053 0.000 1.051 120 V CB -0.484 31.311 31.823 -0.047 0.000 0.658 120 V HN 0.338 nan 8.190 nan 0.000 0.455 121 D N -0.055 120.368 120.400 0.038 0.000 2.117 121 D HA -0.124 4.516 4.640 0.000 0.000 0.197 121 D C 2.203 178.612 176.300 0.181 0.000 0.987 121 D CA 1.214 55.313 54.000 0.165 0.000 0.829 121 D CB -0.095 40.842 40.800 0.228 0.000 0.961 121 D HN 0.341 nan 8.370 nan 0.000 0.460 122 L N 0.383 121.662 121.223 0.092 0.000 2.012 122 L HA -0.209 4.131 4.340 0.000 0.000 0.210 122 L C 2.575 179.483 176.870 0.064 0.000 1.073 122 L CA 0.863 55.749 54.840 0.077 0.000 0.748 122 L CB -0.275 41.791 42.059 0.012 0.000 0.891 122 L HN 0.056 nan 8.230 nan 0.000 0.431 123 M N -0.693 118.892 119.600 -0.026 0.000 2.117 123 M HA -0.170 4.310 4.480 0.000 0.000 0.262 123 M C 2.569 178.886 176.300 0.027 0.000 1.065 123 M CA 1.983 57.246 55.300 -0.061 0.000 1.114 123 M CB -1.596 30.907 32.600 -0.161 0.000 1.361 123 M HN 0.299 nan 8.290 nan 0.000 0.408 124 A N 0.964 123.781 122.820 -0.006 0.000 1.883 124 A HA -0.200 4.120 4.320 0.000 0.000 0.217 124 A C 2.160 179.835 177.584 0.151 0.000 1.186 124 A CA 1.935 53.943 52.037 -0.049 0.000 0.624 124 A CB -0.840 17.901 19.000 -0.432 0.000 0.822 124 A HN 0.523 nan 8.150 nan 0.000 0.444 125 N N -1.475 117.407 118.700 0.303 0.000 2.058 125 N HA -0.195 4.545 4.740 0.000 0.000 0.191 125 N C 1.701 177.319 175.510 0.180 0.000 1.037 125 N CA 1.811 55.030 53.050 0.281 0.000 0.848 125 N CB -0.632 37.999 38.487 0.240 0.000 1.021 125 N HN 0.638 nan 8.380 nan 0.000 0.422 126 Y N 2.231 122.550 120.300 0.031 0.000 2.102 126 Y HA -0.193 4.357 4.550 0.000 0.000 0.280 126 Y C 2.293 178.144 175.900 -0.082 0.000 1.178 126 Y CA 1.535 59.611 58.100 -0.041 0.000 1.146 126 Y CB -0.563 37.811 38.460 -0.143 0.000 0.968 126 Y HN 0.020 nan 8.280 nan 0.000 0.504 127 L N -0.397 120.875 121.223 0.081 0.000 2.261 127 L HA -0.248 4.092 4.340 0.000 0.000 0.216 127 L C 2.285 179.101 176.870 -0.091 0.000 1.114 127 L CA 1.021 55.828 54.840 -0.055 0.000 0.777 127 L CB -0.543 41.500 42.059 -0.027 0.000 0.910 127 L HN 0.365 nan 8.230 nan 0.000 0.440 128 L N -0.795 120.411 121.223 -0.028 0.000 2.095 128 L HA -0.056 4.284 4.340 0.000 0.000 0.204 128 L C 1.344 178.174 176.870 -0.067 0.000 1.080 128 L CA 0.332 55.162 54.840 -0.017 0.000 0.759 128 L CB -0.255 41.834 42.059 0.049 0.000 0.914 128 L HN 0.141 nan 8.230 nan 0.000 0.439 129 L N -0.362 120.801 121.223 -0.099 0.000 2.461 129 L HA -0.001 4.339 4.340 0.000 0.000 0.259 129 L C 0.242 177.010 176.870 -0.170 0.000 1.248 129 L CA -0.195 54.576 54.840 -0.115 0.000 0.823 129 L CB -0.015 41.995 42.059 -0.081 0.000 1.111 129 L HN 0.090 nan 8.230 nan 0.000 0.516 130 D N 0.075 120.396 120.400 -0.131 0.000 2.341 130 D HA 0.191 4.831 4.640 0.000 0.000 0.245 130 D C -2.134 174.071 176.300 -0.158 0.000 1.106 130 D CA -0.850 53.075 54.000 -0.124 0.000 0.905 130 D CB 0.662 41.415 40.800 -0.079 0.000 1.202 130 D HN 0.259 nan 8.370 nan 0.000 0.426 131 P HA 0.080 nan 4.420 nan 0.000 0.263 131 P C -0.675 176.610 177.300 -0.025 0.000 1.195 131 P CA 0.026 63.045 63.100 -0.136 0.000 0.762 131 P CB 0.395 32.041 31.700 -0.089 0.000 0.799 132 A N 3.718 126.568 122.820 0.049 0.000 2.346 132 A HA 0.548 4.868 4.320 0.000 0.000 0.252 132 A C 0.401 178.115 177.584 0.217 0.000 1.089 132 A CA -0.173 51.997 52.037 0.221 0.000 0.797 132 A CB 0.020 19.268 19.000 0.413 0.000 1.047 132 A HN 0.574 nan 8.150 nan 0.000 0.494 133 A N 1.845 124.765 122.820 0.166 0.000 2.454 133 A HA 0.555 4.875 4.320 0.000 0.000 0.260 133 A C -2.358 175.233 177.584 0.011 0.000 1.106 133 A CA -1.206 50.879 52.037 0.079 0.000 0.780 133 A CB -0.687 18.355 19.000 0.071 0.000 1.044 133 A HN 0.577 nan 8.150 nan 0.000 0.498 134 P HA 0.211 nan 4.420 nan 0.000 0.267 134 P C -2.295 174.922 177.300 -0.139 0.000 1.205 134 P CA -0.565 62.273 63.100 -0.438 0.000 0.765 134 P CB 0.257 31.472 31.700 -0.808 0.000 0.828 135 P HA 0.207 nan 4.420 nan 0.000 0.278 135 P C -0.248 177.201 177.300 0.248 0.000 1.258 135 P CA -0.242 62.860 63.100 0.003 0.000 0.811 135 P CB 0.994 32.630 31.700 -0.107 0.000 1.063 136 E N -0.052 120.241 120.200 0.155 0.000 2.351 136 E HA 0.348 4.698 4.350 0.000 0.000 0.255 136 E C -0.972 175.720 176.600 0.154 0.000 1.188 136 E CA -0.209 56.253 56.400 0.103 0.000 0.940 136 E CB 0.392 30.107 29.700 0.026 0.000 1.094 136 E HN 0.421 nan 8.360 nan 0.000 0.474 137 F N 0.191 120.100 119.950 -0.068 0.000 3.050 137 F HA 0.352 4.879 4.527 0.000 0.000 0.382 137 F C 0.185 175.943 175.800 -0.070 0.000 1.246 137 F CA -0.329 57.643 58.000 -0.045 0.000 1.217 137 F CB 0.611 39.592 39.000 -0.031 0.000 1.795 137 F HN 0.429 nan 8.300 nan 0.000 0.622 138 G N 1.972 110.692 108.800 -0.133 0.000 2.531 138 G HA2 0.244 4.205 3.960 0.000 0.000 0.281 138 G HA3 0.244 4.205 3.960 0.000 0.000 0.281 138 G C 0.825 175.640 174.900 -0.142 0.000 1.382 138 G CA -0.427 44.609 45.100 -0.106 0.000 1.045 138 G HN 0.539 nan 8.290 nan 0.000 0.533 139 M N -0.318 119.219 119.600 -0.105 0.000 2.108 139 M HA -0.038 4.442 4.480 0.000 0.000 0.261 139 M C 2.334 178.572 176.300 -0.104 0.000 1.066 139 M CA 1.911 57.154 55.300 -0.094 0.000 1.107 139 M CB -0.398 32.155 32.600 -0.078 0.000 1.356 139 M HN 0.608 nan 8.290 nan 0.000 0.406 140 K N -0.389 119.942 120.400 -0.115 0.000 2.009 140 K HA -0.236 4.084 4.320 0.000 0.000 0.210 140 K C 1.670 178.180 176.600 -0.151 0.000 1.049 140 K CA 2.176 58.401 56.287 -0.103 0.000 0.929 140 K CB -0.138 32.306 32.500 -0.094 0.000 0.714 140 K HN 0.388 nan 8.250 nan 0.000 0.440 141 E N 0.419 120.439 120.200 -0.301 0.000 2.106 141 E HA -0.146 4.204 4.350 0.000 0.000 0.192 141 E C 2.018 178.388 176.600 -0.383 0.000 0.984 141 E CA 1.508 57.611 56.400 -0.496 0.000 0.806 141 E CB -0.109 28.956 29.700 -1.058 0.000 0.750 141 E HN 0.337 nan 8.360 nan 0.000 0.458 142 M N 0.159 119.609 119.600 -0.250 0.000 2.099 142 M HA -0.116 4.364 4.480 0.000 0.000 0.262 142 M C 2.229 178.585 176.300 0.094 0.000 1.067 142 M CA 1.520 56.852 55.300 0.052 0.000 1.124 142 M CB -0.257 32.390 32.600 0.079 0.000 1.353 142 M HN 0.006 nan 8.290 nan 0.000 0.410 143 R N 0.125 120.659 120.500 0.056 0.000 2.091 143 R HA -0.175 4.165 4.340 0.000 0.000 0.238 143 R C 2.160 178.585 176.300 0.208 0.000 1.136 143 R CA 1.427 57.642 56.100 0.191 0.000 0.959 143 R CB -0.686 29.707 30.300 0.155 0.000 0.856 143 R HN 0.443 nan 8.270 nan 0.000 0.437 144 E N 1.248 121.504 120.200 0.093 0.000 2.267 144 E HA -0.170 4.180 4.350 0.000 0.000 0.197 144 E C 1.352 178.015 176.600 0.104 0.000 0.998 144 E CA 1.726 58.169 56.400 0.071 0.000 0.830 144 E CB 0.112 29.821 29.700 0.014 0.000 0.751 144 E HN 0.380 nan 8.360 nan 0.000 0.491 145 S N -1.102 114.693 115.700 0.158 0.000 2.517 145 S HA -0.003 4.467 4.470 0.000 0.000 0.214 145 S C 0.381 175.115 174.600 0.222 0.000 0.991 145 S CA -0.643 57.667 58.200 0.185 0.000 0.906 145 S CB -0.439 62.909 63.200 0.246 0.000 0.789 145 S HN 0.320 nan 8.310 nan 0.000 0.513 146 W N 3.800 125.112 121.300 0.020 0.000 2.368 146 W HA 0.498 5.158 4.660 0.000 0.000 0.316 146 W C -0.665 175.822 176.519 -0.053 0.000 1.375 146 W CA -1.094 56.245 57.345 -0.011 0.000 1.261 146 W CB 0.070 29.525 29.460 -0.009 0.000 1.298 146 W HN 0.013 nan 8.180 nan 0.000 0.539 147 K N 5.151 125.412 120.400 -0.231 0.000 2.507 147 K HA 0.431 4.751 4.320 0.000 0.000 0.252 147 K C -1.409 174.799 176.600 -0.653 0.000 0.943 147 K CA -0.990 55.007 56.287 -0.484 0.000 0.808 147 K CB 2.259 34.542 32.500 -0.360 0.000 1.142 147 K HN 0.097 nan 8.250 nan 0.000 0.426 148 V N 4.928 124.438 119.914 -0.673 0.000 2.304 148 V HA 0.091 4.211 4.120 0.000 0.000 0.269 148 V C 0.753 176.644 176.094 -0.338 0.000 1.036 148 V CA -0.521 61.502 62.300 -0.462 0.000 0.840 148 V CB 0.483 32.070 31.823 -0.393 0.000 1.036 148 V HN 0.824 nan 8.190 nan 0.000 0.466 149 H N 3.206 122.225 119.070 -0.085 0.000 2.403 149 H HA 0.135 4.691 4.556 0.000 0.000 0.298 149 H C 0.338 175.639 175.328 -0.045 0.000 1.059 149 H CA 0.976 56.990 56.048 -0.058 0.000 1.363 149 H CB 0.630 30.372 29.762 -0.034 0.000 1.410 149 H HN 0.392 nan 8.280 nan 0.000 0.528 150 V N 1.275 121.228 119.914 0.065 0.000 2.462 150 V HA 0.449 4.569 4.120 0.000 0.000 0.288 150 V C 0.079 176.179 176.094 0.010 0.000 1.020 150 V CA -1.077 61.245 62.300 0.037 0.000 0.857 150 V CB 1.273 33.127 31.823 0.053 0.000 1.013 150 V HN 0.347 nan 8.190 nan 0.000 0.431 151 A N 6.694 129.509 122.820 -0.007 0.000 2.483 151 A HA 0.467 4.787 4.320 0.000 0.000 0.238 151 A C -1.075 176.519 177.584 0.016 0.000 1.070 151 A CA -0.670 51.361 52.037 -0.009 0.000 0.770 151 A CB 0.014 19.003 19.000 -0.017 0.000 1.008 151 A HN 0.666 nan 8.150 nan 0.000 0.497 152 P HA -0.188 nan 4.420 nan 0.000 0.217 152 P C 0.711 178.036 177.300 0.042 0.000 1.148 152 P CA 1.746 64.869 63.100 0.038 0.000 0.834 152 P CB 0.094 31.811 31.700 0.029 0.000 0.783 153 E N -0.632 119.585 120.200 0.029 0.000 2.204 153 E HA -0.126 4.224 4.350 0.000 0.000 0.194 153 E C 1.018 177.636 176.600 0.029 0.000 0.989 153 E CA 0.994 57.411 56.400 0.027 0.000 0.824 153 E CB -0.708 29.002 29.700 0.017 0.000 0.756 153 E HN 0.355 nan 8.360 nan 0.000 0.477 154 D N 0.256 120.672 120.400 0.028 0.000 2.340 154 D HA 0.069 4.709 4.640 0.000 0.000 0.217 154 D C 0.097 176.420 176.300 0.037 0.000 1.081 154 D CA 0.119 54.134 54.000 0.026 0.000 0.842 154 D CB 0.229 41.040 40.800 0.018 0.000 0.934 154 D HN 0.095 nan 8.370 nan 0.000 0.511 155 R N 1.056 121.588 120.500 0.054 0.000 2.573 155 R HA 0.441 4.781 4.340 0.000 0.000 0.272 155 R C -2.285 174.068 176.300 0.088 0.000 1.009 155 R CA -1.622 54.522 56.100 0.072 0.000 1.059 155 R CB 0.247 30.605 30.300 0.096 0.000 1.112 155 R HN -0.136 nan 8.270 nan 0.000 0.517 156 P HA -0.053 nan 4.420 nan 0.000 0.269 156 P C 0.341 177.766 177.300 0.208 0.000 1.211 156 P CA 0.262 63.439 63.100 0.128 0.000 0.781 156 P CB 0.463 32.249 31.700 0.144 0.000 0.877 157 T N -3.014 111.632 114.554 0.154 0.000 3.085 157 T HA 0.240 4.590 4.350 0.000 0.000 0.264 157 T C 0.235 175.010 174.700 0.124 0.000 1.019 157 T CA -0.235 61.977 62.100 0.186 0.000 0.910 157 T CB -0.299 68.623 68.868 0.090 0.000 1.059 157 T HN 0.652 nan 8.240 nan 0.000 0.542 158 Q N -0.369 119.387 119.800 -0.074 0.000 2.702 158 Q HA 0.310 4.650 4.340 0.000 0.000 0.289 158 Q C -1.393 174.127 176.000 -0.801 0.000 0.923 158 Q CA -1.196 54.200 55.803 -0.679 0.000 0.787 158 Q CB 0.821 29.311 28.738 -0.413 0.000 1.476 158 Q HN 0.148 nan 8.270 nan 0.000 0.402 159 Q N 0.632 119.661 119.800 -1.285 0.000 2.274 159 Q HA -0.016 4.324 4.340 0.000 0.000 0.280 159 Q C -0.303 175.452 176.000 -0.408 0.000 1.047 159 Q CA 0.643 55.929 55.803 -0.861 0.000 0.907 159 Q CB 0.565 28.831 28.738 -0.786 0.000 1.171 159 Q HN 0.704 nan 8.270 nan 0.000 0.381 160 E N 3.075 123.116 120.200 -0.264 0.000 2.481 160 E HA 0.053 4.403 4.350 0.000 0.000 0.198 160 E C -0.166 176.317 176.600 -0.196 0.000 1.027 160 E CA -0.077 56.209 56.400 -0.190 0.000 0.900 160 E CB 0.294 29.917 29.700 -0.128 0.000 0.993 160 E HN 0.657 nan 8.360 nan 0.000 0.482 161 N N 0.765 119.307 118.700 -0.264 0.000 2.531 161 N HA 0.091 4.831 4.740 0.000 0.000 0.290 161 N C -0.410 175.010 175.510 -0.151 0.000 1.257 161 N CA -0.431 52.443 53.050 -0.294 0.000 0.863 161 N CB 1.276 39.332 38.487 -0.718 0.000 1.320 161 N HN -0.192 nan 8.380 nan 0.000 0.538 162 D N -1.861 118.546 120.400 0.011 0.000 2.388 162 D HA 0.142 4.782 4.640 0.000 0.000 0.221 162 D C -0.564 175.898 176.300 0.270 0.000 1.133 162 D CA -0.491 53.575 54.000 0.109 0.000 0.831 162 D CB -0.112 40.750 40.800 0.104 0.000 0.962 162 D HN 0.343 nan 8.370 nan 0.000 0.502 163 W N 1.249 122.548 121.300 -0.002 0.000 2.170 163 W HA 0.267 4.927 4.660 0.000 0.000 0.336 163 W C 0.738 177.266 176.519 0.016 0.000 1.283 163 W CA -1.108 56.246 57.345 0.016 0.000 1.224 163 W CB 0.078 29.560 29.460 0.036 0.000 1.132 163 W HN -0.066 nan 8.180 nan 0.000 0.571 164 D N 2.890 123.430 120.400 0.234 0.000 2.558 164 D HA 0.084 4.724 4.640 0.000 0.000 0.221 164 D C 1.386 177.793 176.300 0.179 0.000 1.143 164 D CA 0.092 54.180 54.000 0.147 0.000 1.010 164 D CB -0.084 40.766 40.800 0.082 0.000 1.068 164 D HN 0.314 nan 8.370 nan 0.000 0.511 165 L N 1.413 122.769 121.223 0.221 0.000 2.034 165 L HA -0.244 4.096 4.340 0.000 0.000 0.217 165 L C 1.963 178.944 176.870 0.185 0.000 1.077 165 L CA 1.440 56.421 54.840 0.235 0.000 0.769 165 L CB -0.358 41.843 42.059 0.237 0.000 0.890 165 L HN 0.391 nan 8.230 nan 0.000 0.435 166 E N -0.548 119.751 120.200 0.165 0.000 2.418 166 E HA -0.164 4.186 4.350 0.000 0.000 0.197 166 E C 1.085 177.761 176.600 0.126 0.000 1.026 166 E CA 0.618 57.125 56.400 0.179 0.000 0.862 166 E CB -0.136 29.699 29.700 0.224 0.000 0.799 166 E HN 0.387 nan 8.360 nan 0.000 0.518 167 N N 0.379 119.136 118.700 0.094 0.000 2.203 167 N HA 0.034 4.774 4.740 0.000 0.000 0.207 167 N C -0.447 175.129 175.510 0.109 0.000 1.130 167 N CA -0.154 52.940 53.050 0.073 0.000 0.861 167 N CB 0.345 38.880 38.487 0.079 0.000 1.005 167 N HN -0.027 nan 8.380 nan 0.000 0.507 168 L N 0.657 121.941 121.223 0.102 0.000 2.417 168 L HA 0.409 4.749 4.340 0.000 0.000 0.268 168 L C -0.903 176.010 176.870 0.072 0.000 1.158 168 L CA 0.086 55.015 54.840 0.149 0.000 0.819 168 L CB 0.194 42.352 42.059 0.165 0.000 1.112 168 L HN -0.064 nan 8.230 nan 0.000 0.458 169 F N 2.290 122.177 119.950 -0.105 0.000 2.444 169 F HA 0.383 4.911 4.527 0.000 0.000 0.342 169 F C 0.373 176.166 175.800 -0.012 0.000 1.121 169 F CA -0.443 57.466 58.000 -0.151 0.000 0.997 169 F CB 1.796 40.566 39.000 -0.384 0.000 1.130 169 F HN 0.371 nan 8.300 nan 0.000 0.454 170 S N 3.394 119.192 115.700 0.162 0.000 2.410 170 S HA 0.657 5.127 4.470 0.000 0.000 0.304 170 S C -0.894 173.825 174.600 0.198 0.000 1.095 170 S CA -0.461 57.847 58.200 0.181 0.000 1.089 170 S CB 0.147 63.452 63.200 0.175 0.000 0.968 170 S HN 0.353 nan 8.310 nan 0.000 0.480 171 V N 5.306 125.318 119.914 0.163 0.000 2.459 171 V HA 0.389 4.509 4.120 0.000 0.000 0.295 171 V C 0.483 176.634 176.094 0.096 0.000 1.029 171 V CA -0.767 61.606 62.300 0.120 0.000 0.874 171 V CB 1.822 33.721 31.823 0.126 0.000 0.985 171 V HN 0.825 nan 8.190 nan 0.000 0.438 172 T N 6.622 121.217 114.554 0.069 0.000 2.814 172 T HA 0.395 4.745 4.350 0.000 0.000 0.297 172 T C 0.127 174.837 174.700 0.016 0.000 0.956 172 T CA 0.032 62.162 62.100 0.050 0.000 1.123 172 T CB 0.085 68.977 68.868 0.040 0.000 0.902 172 T HN 0.396 nan 8.240 nan 0.000 0.528 173 L N 4.809 126.055 121.223 0.038 0.000 2.417 173 L HA 0.356 4.696 4.340 0.000 0.000 0.258 173 L C 1.943 178.844 176.870 0.053 0.000 1.088 173 L CA -0.674 54.191 54.840 0.040 0.000 0.975 173 L CB 0.156 42.247 42.059 0.052 0.000 1.341 173 L HN 0.654 nan 8.230 nan 0.000 0.431 174 R N 1.301 121.820 120.500 0.032 0.000 2.223 174 R HA -0.223 4.117 4.340 0.000 0.000 0.229 174 R C 0.826 177.197 176.300 0.119 0.000 1.105 174 R CA 2.478 58.617 56.100 0.064 0.000 0.880 174 R CB 0.043 30.367 30.300 0.041 0.000 0.853 174 R HN 0.610 nan 8.270 nan 0.000 0.429 175 D N -0.707 119.781 120.400 0.146 0.000 2.378 175 D HA -0.034 4.606 4.640 0.000 0.000 0.227 175 D C 1.025 177.413 176.300 0.147 0.000 1.012 175 D CA 0.798 54.886 54.000 0.148 0.000 0.905 175 D CB 0.197 41.085 40.800 0.148 0.000 0.895 175 D HN 0.387 nan 8.370 nan 0.000 0.532 176 A N -0.183 122.710 122.820 0.122 0.000 2.267 176 A HA 0.427 4.747 4.320 0.000 0.000 0.213 176 A C 1.741 179.362 177.584 0.061 0.000 1.192 176 A CA 0.664 52.757 52.037 0.094 0.000 0.851 176 A CB 0.057 19.097 19.000 0.065 0.000 0.881 176 A HN 0.167 nan 8.150 nan 0.000 0.494 177 G N -0.019 108.829 108.800 0.080 0.000 2.249 177 G HA2 -0.247 3.713 3.960 0.000 0.000 0.273 177 G HA3 -0.247 3.713 3.960 0.000 0.000 0.273 177 G C -0.107 174.781 174.900 -0.019 0.000 1.036 177 G CA 0.676 45.783 45.100 0.012 0.000 0.824 177 G HN 1.068 nan 8.290 nan 0.000 0.504 178 Q N -1.292 118.519 119.800 0.019 0.000 2.565 178 Q HA 0.786 5.126 4.340 0.000 0.000 0.294 178 Q C -0.114 175.913 176.000 0.045 0.000 1.005 178 Q CA -1.227 54.589 55.803 0.022 0.000 0.771 178 Q CB 1.813 30.559 28.738 0.013 0.000 1.486 178 Q HN 0.880 nan 8.270 nan 0.000 0.422 179 I N -2.349 118.253 120.570 0.053 0.000 2.797 179 I HA 0.941 5.111 4.170 0.000 0.000 0.307 179 I C -1.092 175.071 176.117 0.077 0.000 1.033 179 I CA -1.109 60.234 61.300 0.072 0.000 1.071 179 I CB 2.211 40.261 38.000 0.084 0.000 1.255 179 I HN 0.706 nan 8.210 nan 0.000 0.445 180 A N 5.924 128.797 122.820 0.088 0.000 2.330 180 A HA 0.732 5.052 4.320 0.000 0.000 0.313 180 A C -0.802 176.845 177.584 0.105 0.000 1.124 180 A CA -0.615 51.474 52.037 0.087 0.000 0.774 180 A CB 0.912 19.961 19.000 0.082 0.000 1.198 180 A HN 0.760 nan 8.150 nan 0.000 0.465 181 L N 4.352 125.628 121.223 0.088 0.000 2.261 181 L HA 0.360 4.700 4.340 0.000 0.000 0.289 181 L C -0.685 176.191 176.870 0.011 0.000 1.059 181 L CA -0.442 54.447 54.840 0.082 0.000 0.816 181 L CB 0.552 42.680 42.059 0.115 0.000 1.191 181 L HN 0.491 nan 8.230 nan 0.000 0.431 182 I N 2.151 122.776 120.570 0.092 0.000 2.412 182 I HA 0.224 4.394 4.170 0.000 0.000 0.296 182 I C 0.198 176.380 176.117 0.109 0.000 0.987 182 I CA -0.519 60.845 61.300 0.108 0.000 1.180 182 I CB 1.648 39.809 38.000 0.269 0.000 1.340 182 I HN 0.523 nan 8.210 nan 0.000 0.455 183 D N 4.291 124.702 120.400 0.017 0.000 2.383 183 D HA 0.069 4.709 4.640 0.000 0.000 0.252 183 D C 1.240 177.613 176.300 0.121 0.000 1.166 183 D CA 0.109 54.107 54.000 -0.004 0.000 0.879 183 D CB 1.769 42.493 40.800 -0.127 0.000 1.164 183 D HN 0.801 nan 8.370 nan 0.000 0.462 184 G N 2.954 111.857 108.800 0.172 0.000 2.509 184 G HA2 -0.088 3.872 3.960 0.000 0.000 0.218 184 G HA3 -0.088 3.872 3.960 0.000 0.000 0.218 184 G C 1.079 176.035 174.900 0.093 0.000 1.124 184 G CA 0.922 46.179 45.100 0.261 0.000 0.776 184 G HN 0.579 nan 8.290 nan 0.000 0.547 185 A N 0.210 122.931 122.820 -0.165 0.000 1.970 185 A HA 0.204 4.524 4.320 0.000 0.000 0.204 185 A C 2.480 179.556 177.584 -0.847 0.000 1.325 185 A CA 1.747 53.543 52.037 -0.401 0.000 0.767 185 A CB -0.510 18.377 19.000 -0.189 0.000 0.949 185 A HN 0.380 nan 8.150 nan 0.000 0.481 186 T N -5.217 109.006 114.554 -0.551 0.000 3.043 186 T HA 0.001 4.351 4.350 0.000 0.000 0.263 186 T C 0.634 175.044 174.700 -0.483 0.000 1.094 186 T CA 1.296 63.106 62.100 -0.483 0.000 1.127 186 T CB -0.519 68.213 68.868 -0.227 0.000 0.905 186 T HN 0.783 nan 8.240 nan 0.000 0.490 187 Y N 1.044 121.271 120.300 -0.120 0.000 4.729 187 Y HA -0.200 4.350 4.550 0.000 0.000 0.239 187 Y C 0.245 176.092 175.900 -0.089 0.000 1.043 187 Y CA -0.056 57.952 58.100 -0.152 0.000 2.045 187 Y CB -2.892 35.314 38.460 -0.423 0.000 1.599 187 Y HN 0.770 nan 8.280 nan 0.000 0.655 188 E N 0.941 121.144 120.200 0.004 0.000 2.277 188 E HA 0.583 4.933 4.350 0.000 0.000 0.274 188 E C -0.166 176.415 176.600 -0.031 0.000 1.022 188 E CA -0.873 55.519 56.400 -0.012 0.000 0.853 188 E CB 1.371 31.037 29.700 -0.056 0.000 1.086 188 E HN 0.378 nan 8.360 nan 0.000 0.397 189 I N 3.895 124.453 120.570 -0.020 0.000 2.406 189 I HA -0.016 4.154 4.170 0.000 0.000 0.293 189 I C 1.231 177.289 176.117 -0.098 0.000 1.101 189 I CA -0.255 61.026 61.300 -0.030 0.000 1.334 189 I CB 0.439 38.442 38.000 0.005 0.000 1.421 189 I HN 0.535 nan 8.210 nan 0.000 0.513 190 K N 3.037 123.307 120.400 -0.216 0.000 2.155 190 K HA 0.042 4.362 4.320 0.000 0.000 0.203 190 K C 0.690 177.184 176.600 -0.177 0.000 1.052 190 K CA 0.628 56.676 56.287 -0.398 0.000 0.948 190 K CB 0.167 32.039 32.500 -1.047 0.000 0.728 190 K HN 0.598 nan 8.250 nan 0.000 0.448 191 S N -0.662 114.999 115.700 -0.065 0.000 2.597 191 S HA 0.311 4.781 4.470 0.000 0.000 0.274 191 S C -1.909 172.734 174.600 0.071 0.000 1.132 191 S CA -0.827 57.415 58.200 0.071 0.000 0.835 191 S CB 1.556 64.895 63.200 0.231 0.000 1.092 191 S HN -0.157 nan 8.310 nan 0.000 0.457 192 V N 4.074 124.032 119.914 0.074 0.000 2.443 192 V HA 0.561 4.681 4.120 0.000 0.000 0.293 192 V C -0.767 175.363 176.094 0.059 0.000 1.021 192 V CA -0.506 61.831 62.300 0.061 0.000 0.848 192 V CB 1.240 33.090 31.823 0.044 0.000 0.998 192 V HN 0.762 nan 8.190 nan 0.000 0.424 193 L N 3.457 124.716 121.223 0.059 0.000 2.341 193 L HA 0.613 4.953 4.340 0.000 0.000 0.278 193 L C -0.676 176.208 176.870 0.023 0.000 1.005 193 L CA -0.836 54.031 54.840 0.045 0.000 0.818 193 L CB 2.145 44.240 42.059 0.060 0.000 1.259 193 L HN 0.486 nan 8.230 nan 0.000 0.418 194 D N 0.915 121.315 120.400 0.001 0.000 2.351 194 D HA 0.204 4.844 4.640 0.000 0.000 0.251 194 D C 0.964 177.255 176.300 -0.015 0.000 1.137 194 D CA 0.174 54.159 54.000 -0.025 0.000 0.879 194 D CB 1.787 42.557 40.800 -0.050 0.000 1.181 194 D HN 0.717 nan 8.370 nan 0.000 0.448 195 T N -0.712 113.832 114.554 -0.018 0.000 3.028 195 T HA 0.455 4.805 4.350 0.000 0.000 0.250 195 T C 0.776 175.473 174.700 -0.004 0.000 0.979 195 T CA 0.358 62.462 62.100 0.007 0.000 1.004 195 T CB 0.538 69.423 68.868 0.029 0.000 1.120 195 T HN 0.589 nan 8.240 nan 0.000 0.482 196 G N 0.197 108.969 108.800 -0.045 0.000 2.312 196 G HA2 0.305 4.265 3.960 0.000 0.000 0.347 196 G HA3 0.305 4.265 3.960 0.000 0.000 0.347 196 G C -1.488 173.395 174.900 -0.029 0.000 1.564 196 G CA -1.162 43.896 45.100 -0.070 0.000 0.981 196 G HN 0.274 nan 8.290 nan 0.000 0.678 197 Y N 0.507 120.829 120.300 0.036 0.000 2.805 197 Y HA 0.252 4.802 4.550 0.000 0.000 0.337 197 Y C 1.533 177.458 175.900 0.041 0.000 1.252 197 Y CA 1.937 60.052 58.100 0.025 0.000 1.515 197 Y CB 0.795 39.266 38.460 0.018 0.000 1.305 197 Y HN 2.158 nan 8.280 nan 0.000 0.600 198 A N 0.698 123.652 122.820 0.224 0.000 3.061 198 A HA -0.154 4.166 4.320 0.000 0.000 0.244 198 A C 0.010 177.663 177.584 0.114 0.000 1.357 198 A CA 0.225 52.342 52.037 0.134 0.000 0.889 198 A CB -2.708 16.351 19.000 0.098 0.000 1.092 198 A HN 0.675 nan 8.150 nan 0.000 0.694 199 V N -0.234 119.748 119.914 0.115 0.000 2.720 199 V HA 0.097 4.217 4.120 0.000 0.000 0.307 199 V C 1.531 177.720 176.094 0.160 0.000 1.071 199 V CA 1.238 63.604 62.300 0.110 0.000 1.199 199 V CB 0.221 32.095 31.823 0.086 0.000 0.900 199 V HN 0.656 nan 8.190 nan 0.000 0.494 200 H N 4.406 123.492 119.070 0.027 0.000 2.343 200 H HA 0.402 4.958 4.556 0.000 0.000 0.322 200 H C 0.506 175.864 175.328 0.051 0.000 1.194 200 H CA 0.557 56.621 56.048 0.027 0.000 1.780 200 H CB 1.004 30.767 29.762 0.002 0.000 1.521 200 H HN 0.650 nan 8.280 nan 0.000 0.638 201 I N -0.507 119.980 120.570 -0.137 0.000 3.343 201 I HA 0.493 4.663 4.170 0.000 0.000 0.315 201 I C -1.022 174.978 176.117 -0.196 0.000 1.153 201 I CA -0.733 60.447 61.300 -0.201 0.000 0.952 201 I CB 1.772 39.513 38.000 -0.431 0.000 1.287 201 I HN 0.152 nan 8.210 nan 0.000 0.472 202 S N 1.470 116.924 115.700 -0.408 0.000 2.566 202 S HA 0.841 5.311 4.470 0.000 0.000 0.298 202 S C -0.605 173.699 174.600 -0.493 0.000 1.083 202 S CA -0.745 57.276 58.200 -0.299 0.000 0.978 202 S CB 2.021 65.181 63.200 -0.067 0.000 1.073 202 S HN 0.544 nan 8.310 nan 0.000 0.491 203 R N 1.087 121.473 120.500 -0.190 0.000 2.740 203 R HA 0.530 4.870 4.340 0.000 0.000 0.273 203 R C -1.744 174.593 176.300 0.062 0.000 0.998 203 R CA -0.765 55.252 56.100 -0.138 0.000 0.900 203 R CB 1.275 31.483 30.300 -0.152 0.000 1.223 203 R HN 0.410 nan 8.270 nan 0.000 0.466 204 L N 1.254 122.516 121.223 0.065 0.000 2.342 204 L HA 0.437 4.777 4.340 0.000 0.000 0.271 204 L C 0.787 177.751 176.870 0.158 0.000 1.008 204 L CA -0.429 54.496 54.840 0.143 0.000 0.818 204 L CB 1.904 44.009 42.059 0.077 0.000 1.296 204 L HN 0.819 nan 8.230 nan 0.000 0.427 205 S N 0.993 116.842 115.700 0.250 0.000 2.593 205 S HA 0.273 4.743 4.470 0.000 0.000 0.269 205 S C 1.328 175.983 174.600 0.091 0.000 1.334 205 S CA 0.095 58.411 58.200 0.194 0.000 1.015 205 S CB 1.067 64.454 63.200 0.312 0.000 0.912 205 S HN 0.725 nan 8.310 nan 0.000 0.541 206 A N 1.880 124.733 122.820 0.056 0.000 1.986 206 A HA -0.109 4.211 4.320 0.000 0.000 0.220 206 A C 2.417 180.021 177.584 0.032 0.000 1.171 206 A CA 2.145 54.202 52.037 0.033 0.000 0.640 206 A CB -1.555 17.460 19.000 0.025 0.000 0.811 206 A HN 1.370 nan 8.150 nan 0.000 0.451 207 S N -2.509 113.211 115.700 0.033 0.000 2.470 207 S HA 0.349 4.819 4.470 0.000 0.000 0.225 207 S C 1.582 176.205 174.600 0.038 0.000 1.006 207 S CA 1.191 59.408 58.200 0.028 0.000 0.934 207 S CB -0.209 62.981 63.200 -0.016 0.000 0.778 207 S HN 1.944 nan 8.310 nan 0.000 0.517 208 G N 1.619 110.433 108.800 0.022 0.000 2.176 208 G HA2 -0.300 3.660 3.960 0.000 0.000 0.232 208 G HA3 -0.300 3.660 3.960 0.000 0.000 0.232 208 G C 0.832 175.713 174.900 -0.032 0.000 0.986 208 G CA 0.366 45.490 45.100 0.040 0.000 0.643 208 G HN 0.579 nan 8.290 nan 0.000 0.522 209 R N -0.836 119.529 120.500 -0.226 0.000 2.100 209 R HA 0.221 4.561 4.340 0.000 0.000 0.220 209 R C 0.191 176.116 176.300 -0.625 0.000 1.091 209 R CA 0.685 56.404 56.100 -0.634 0.000 0.986 209 R CB 0.000 29.489 30.300 -1.352 0.000 0.888 209 R HN 0.346 nan 8.270 nan 0.000 0.444 210 Y N 0.582 120.769 120.300 -0.189 0.000 2.341 210 Y HA 0.318 4.868 4.550 0.000 0.000 0.337 210 Y C -0.503 175.305 175.900 -0.153 0.000 1.014 210 Y CA -1.247 56.721 58.100 -0.221 0.000 1.111 210 Y CB 1.660 39.973 38.460 -0.244 0.000 1.194 210 Y HN -0.021 nan 8.280 nan 0.000 0.462 211 L N 4.682 125.861 121.223 -0.074 0.000 2.282 211 L HA 0.640 4.980 4.340 0.000 0.000 0.288 211 L C -1.793 174.955 176.870 -0.203 0.000 1.033 211 L CA -0.507 54.315 54.840 -0.031 0.000 0.807 211 L CB 0.092 42.159 42.059 0.013 0.000 1.209 211 L HN 0.364 nan 8.230 nan 0.000 0.423 212 F N 5.011 124.964 119.950 0.006 0.000 2.458 212 F HA 0.647 5.174 4.527 0.000 0.000 0.336 212 F C -0.022 175.752 175.800 -0.043 0.000 1.114 212 F CA -0.643 57.345 58.000 -0.019 0.000 0.987 212 F CB 2.060 41.031 39.000 -0.048 0.000 1.130 212 F HN 0.376 nan 8.300 nan 0.000 0.458 213 V N 5.812 125.801 119.914 0.124 0.000 2.656 213 V HA 0.735 4.855 4.120 0.000 0.000 0.307 213 V C -1.438 174.698 176.094 0.070 0.000 1.051 213 V CA -0.626 61.713 62.300 0.066 0.000 0.893 213 V CB 1.762 33.615 31.823 0.051 0.000 0.999 213 V HN 0.772 nan 8.190 nan 0.000 0.426 214 I N 4.757 125.356 120.570 0.048 0.000 2.689 214 I HA 0.915 5.085 4.170 0.000 0.000 0.299 214 I C 0.328 176.491 176.117 0.076 0.000 1.059 214 I CA -0.284 61.047 61.300 0.051 0.000 1.055 214 I CB 2.028 40.042 38.000 0.024 0.000 1.243 214 I HN 0.898 nan 8.210 nan 0.000 0.425 215 G N 4.546 113.382 108.800 0.059 0.000 2.537 215 G HA2 0.389 4.349 3.960 0.000 0.000 0.323 215 G HA3 0.389 4.349 3.960 0.000 0.000 0.323 215 G C 0.201 175.106 174.900 0.008 0.000 1.207 215 G CA -0.662 44.478 45.100 0.066 0.000 0.976 215 G HN 0.725 nan 8.290 nan 0.000 0.487 216 R N -0.338 120.147 120.500 -0.026 0.000 2.241 216 R HA -0.064 4.276 4.340 0.000 0.000 0.224 216 R C 1.191 177.447 176.300 -0.073 0.000 1.101 216 R CA 1.394 57.426 56.100 -0.113 0.000 0.995 216 R CB 0.147 30.374 30.300 -0.121 0.000 0.870 216 R HN 0.662 nan 8.270 nan 0.000 0.463 217 D N -0.863 119.524 120.400 -0.021 0.000 2.328 217 D HA 0.036 4.676 4.640 0.000 0.000 0.221 217 D C 1.013 177.285 176.300 -0.047 0.000 1.072 217 D CA 0.640 54.632 54.000 -0.014 0.000 0.850 217 D CB 0.231 41.048 40.800 0.029 0.000 0.922 217 D HN 0.227 nan 8.370 nan 0.000 0.516 218 G N 0.637 109.401 108.800 -0.060 0.000 2.143 218 G HA2 -0.321 3.639 3.960 0.000 0.000 0.249 218 G HA3 -0.321 3.639 3.960 0.000 0.000 0.249 218 G C 0.199 175.068 174.900 -0.051 0.000 0.981 218 G CA 0.225 45.273 45.100 -0.087 0.000 0.665 218 G HN 0.578 nan 8.290 nan 0.000 0.528 219 K N 0.689 121.086 120.400 -0.004 0.000 2.297 219 K HA 0.597 4.917 4.320 0.000 0.000 0.286 219 K C -0.019 176.609 176.600 0.046 0.000 1.053 219 K CA -0.406 55.901 56.287 0.034 0.000 0.940 219 K CB 1.193 33.727 32.500 0.056 0.000 1.019 219 K HN 0.228 nan 8.250 nan 0.000 0.475 220 V N 5.124 125.077 119.914 0.064 0.000 2.448 220 V HA 0.379 4.499 4.120 0.000 0.000 0.295 220 V C -0.796 175.357 176.094 0.098 0.000 1.025 220 V CA -0.943 61.408 62.300 0.084 0.000 0.859 220 V CB 1.660 33.537 31.823 0.090 0.000 0.988 220 V HN 0.841 nan 8.190 nan 0.000 0.431 221 N N 3.794 122.547 118.700 0.088 0.000 2.342 221 N HA 0.625 5.365 4.740 0.000 0.000 0.293 221 N C -0.782 174.723 175.510 -0.010 0.000 1.026 221 N CA -0.446 52.640 53.050 0.060 0.000 0.857 221 N CB 1.994 40.511 38.487 0.050 0.000 1.256 221 N HN 0.728 nan 8.380 nan 0.000 0.484 222 M N 3.411 122.965 119.600 -0.075 0.000 2.227 222 M HA 0.536 5.016 4.480 0.000 0.000 0.335 222 M C -1.585 174.611 176.300 -0.174 0.000 1.053 222 M CA -0.513 54.598 55.300 -0.316 0.000 0.973 222 M CB 0.710 33.094 32.600 -0.360 0.000 1.623 222 M HN 0.471 nan 8.290 nan 0.000 0.434 223 I N 3.698 124.160 120.570 -0.179 0.000 2.433 223 I HA 0.270 4.440 4.170 0.000 0.000 0.292 223 I C -0.705 175.424 176.117 0.019 0.000 1.001 223 I CA -0.707 60.569 61.300 -0.040 0.000 1.119 223 I CB 1.881 39.872 38.000 -0.015 0.000 1.289 223 I HN 0.573 nan 8.210 nan 0.000 0.438 224 D N 6.724 127.151 120.400 0.045 0.000 2.380 224 D HA 0.220 4.860 4.640 0.000 0.000 0.230 224 D C 0.663 176.908 176.300 -0.091 0.000 1.154 224 D CA -0.074 53.909 54.000 -0.029 0.000 0.859 224 D CB 1.165 41.988 40.800 0.038 0.000 1.045 224 D HN 0.441 nan 8.370 nan 0.000 0.495 225 L N 2.864 123.999 121.223 -0.148 0.000 2.610 225 L HA 0.023 4.363 4.340 0.000 0.000 0.232 225 L C 1.025 177.935 176.870 0.066 0.000 1.149 225 L CA 0.030 54.845 54.840 -0.042 0.000 0.872 225 L CB 0.009 42.085 42.059 0.029 0.000 0.992 225 L HN 0.475 nan 8.230 nan 0.000 0.447 226 W N -0.511 120.645 121.300 -0.241 0.000 3.211 226 W HA 0.220 4.881 4.660 0.000 0.000 0.292 226 W C 0.916 177.304 176.519 -0.219 0.000 1.268 226 W CA -0.942 56.268 57.345 -0.225 0.000 1.702 226 W CB -0.235 29.104 29.460 -0.202 0.000 1.092 226 W HN 0.002 nan 8.180 nan 0.000 0.643 227 M N 0.591 120.186 119.600 -0.009 0.000 2.226 227 M HA 0.030 4.510 4.480 0.000 0.000 0.324 227 M C 1.698 177.887 176.300 -0.186 0.000 1.112 227 M CA 0.348 55.606 55.300 -0.070 0.000 1.176 227 M CB 0.982 33.551 32.600 -0.051 0.000 1.430 227 M HN -0.179 nan 8.290 nan 0.000 0.462 228 K N 0.969 121.280 120.400 -0.148 0.000 2.044 228 K HA -0.147 4.173 4.320 0.000 0.000 0.210 228 K C -0.137 176.329 176.600 -0.223 0.000 1.049 228 K CA 1.457 57.636 56.287 -0.180 0.000 0.927 228 K CB -0.006 32.437 32.500 -0.095 0.000 0.713 228 K HN 0.594 nan 8.250 nan 0.000 0.443 229 E N 1.052 121.169 120.200 -0.138 0.000 2.256 229 E HA 0.207 4.557 4.350 0.000 0.000 0.243 229 E C -2.618 173.933 176.600 -0.082 0.000 0.925 229 E CA -2.204 54.144 56.400 -0.086 0.000 0.748 229 E CB 1.465 31.163 29.700 -0.004 0.000 1.206 229 E HN -0.015 nan 8.360 nan 0.000 0.428 230 P HA -0.087 nan 4.420 nan 0.000 0.261 230 P C -0.384 176.926 177.300 0.016 0.000 1.173 230 P CA 0.510 63.572 63.100 -0.064 0.000 0.760 230 P CB 0.808 32.479 31.700 -0.048 0.000 0.783 231 T N 1.298 115.860 114.554 0.012 0.000 2.762 231 T HA 0.334 4.684 4.350 0.000 0.000 0.301 231 T C -0.913 173.801 174.700 0.023 0.000 1.299 231 T CA -0.505 61.606 62.100 0.018 0.000 1.005 231 T CB 0.704 69.572 68.868 -0.001 0.000 1.377 231 T HN 0.107 nan 8.240 nan 0.000 0.504 232 T N 2.402 116.969 114.554 0.022 0.000 2.751 232 T HA 0.235 4.585 4.350 0.000 0.000 0.290 232 T C 1.678 176.455 174.700 0.128 0.000 0.919 232 T CA 0.172 62.309 62.100 0.061 0.000 1.136 232 T CB 0.299 69.214 68.868 0.079 0.000 0.875 232 T HN 0.600 nan 8.240 nan 0.000 0.532 233 V N 1.074 121.049 119.914 0.103 0.000 3.354 233 V HA 0.666 4.786 4.120 0.000 0.000 0.258 233 V C 0.667 176.815 176.094 0.089 0.000 1.159 233 V CA 0.490 62.859 62.300 0.114 0.000 1.125 233 V CB -0.666 31.200 31.823 0.071 0.000 0.774 233 V HN 0.891 nan 8.190 nan 0.000 0.464 234 A N 0.600 123.459 122.820 0.065 0.000 2.604 234 A HA 0.778 5.098 4.320 0.000 0.000 0.295 234 A C -0.852 176.768 177.584 0.059 0.000 1.067 234 A CA -0.189 51.847 52.037 -0.002 0.000 0.683 234 A CB 1.516 20.538 19.000 0.036 0.000 1.281 234 A HN 0.689 nan 8.150 nan 0.000 0.407 235 E N 0.694 120.933 120.200 0.065 0.000 2.430 235 E HA 0.864 5.214 4.350 0.000 0.000 0.279 235 E C -1.362 175.361 176.600 0.204 0.000 1.003 235 E CA -0.750 55.726 56.400 0.127 0.000 0.801 235 E CB 2.086 31.864 29.700 0.131 0.000 1.313 235 E HN 1.065 nan 8.360 nan 0.000 0.459 236 I N -0.303 120.374 120.570 0.178 0.000 2.890 236 I HA 0.341 4.511 4.170 0.000 0.000 0.301 236 I C -2.120 174.082 176.117 0.142 0.000 1.579 236 I CA -0.720 60.698 61.300 0.198 0.000 0.959 236 I CB 2.229 40.338 38.000 0.182 0.000 1.368 236 I HN 0.652 nan 8.210 nan 0.000 0.536 237 K N 4.291 124.794 120.400 0.171 0.000 2.292 237 K HA 0.525 4.845 4.320 0.000 0.000 0.257 237 K C 0.014 176.663 176.600 0.082 0.000 0.940 237 K CA -0.529 55.818 56.287 0.100 0.000 0.811 237 K CB 1.524 34.105 32.500 0.136 0.000 1.120 237 K HN 0.561 nan 8.250 nan 0.000 0.428 238 I N -0.416 120.090 120.570 -0.107 0.000 4.082 238 I HA 0.455 4.625 4.170 0.000 0.000 0.337 238 I C 0.361 176.275 176.117 -0.338 0.000 1.352 238 I CA -0.123 61.116 61.300 -0.103 0.000 1.097 238 I CB 1.145 39.109 38.000 -0.059 0.000 1.048 238 I HN 0.647 nan 8.210 nan 0.000 0.393 239 G N -0.139 108.198 108.800 -0.772 0.000 2.335 239 G HA2 0.266 4.226 3.960 0.000 0.000 0.291 239 G HA3 0.266 4.226 3.960 0.000 0.000 0.291 239 G C -0.339 174.214 174.900 -0.579 0.000 1.261 239 G CA 0.171 44.814 45.100 -0.760 0.000 0.871 239 G HN -0.146 nan 8.290 nan 0.000 0.491 240 S N -0.421 115.192 115.700 -0.145 0.000 2.499 240 S HA 0.311 4.781 4.470 0.000 0.000 0.225 240 S C 0.357 175.001 174.600 0.074 0.000 1.050 240 S CA 0.609 58.839 58.200 0.049 0.000 0.928 240 S CB 0.203 63.595 63.200 0.320 0.000 0.803 240 S HN 0.459 nan 8.310 nan 0.000 0.506 241 E N 0.163 120.430 120.200 0.112 0.000 2.263 241 E HA 0.705 5.055 4.350 0.000 0.000 0.268 241 E C -1.177 175.422 176.600 -0.003 0.000 0.884 241 E CA -0.469 55.979 56.400 0.080 0.000 0.766 241 E CB 2.219 32.047 29.700 0.214 0.000 1.196 241 E HN 0.273 nan 8.360 nan 0.000 0.416 242 A N 2.292 125.018 122.820 -0.157 0.000 2.606 242 A HA 0.676 4.996 4.320 0.000 0.000 0.293 242 A C -0.275 177.100 177.584 -0.349 0.000 1.082 242 A CA -0.604 51.301 52.037 -0.220 0.000 0.685 242 A CB 1.529 20.462 19.000 -0.112 0.000 1.284 242 A HN 0.514 nan 8.150 nan 0.000 0.408 243 R N -0.322 119.990 120.500 -0.313 0.000 2.650 243 R HA 0.290 4.630 4.340 0.000 0.000 0.212 243 R C -0.034 176.296 176.300 0.050 0.000 0.904 243 R CA 0.586 56.572 56.100 -0.191 0.000 1.021 243 R CB 0.390 30.484 30.300 -0.344 0.000 1.519 243 R HN 0.635 nan 8.270 nan 0.000 0.639 244 S N 0.784 116.467 115.700 -0.028 0.000 2.578 244 S HA 0.663 5.133 4.470 0.000 0.000 0.301 244 S C -0.493 174.044 174.600 -0.106 0.000 1.091 244 S CA -0.519 57.651 58.200 -0.051 0.000 1.032 244 S CB 2.250 65.407 63.200 -0.073 0.000 1.064 244 S HN 0.173 nan 8.310 nan 0.000 0.508 245 I N 1.452 121.933 120.570 -0.149 0.000 2.841 245 I HA 0.632 4.802 4.170 0.000 0.000 0.298 245 I C -1.708 174.252 176.117 -0.262 0.000 1.304 245 I CA -0.262 60.914 61.300 -0.208 0.000 1.019 245 I CB 2.171 40.084 38.000 -0.146 0.000 1.282 245 I HN 0.686 nan 8.210 nan 0.000 0.432 246 E N 3.250 123.231 120.200 -0.365 0.000 2.423 246 E HA 0.589 4.939 4.350 0.000 0.000 0.280 246 E C -1.531 174.850 176.600 -0.364 0.000 1.030 246 E CA -0.409 55.800 56.400 -0.318 0.000 0.812 246 E CB 2.040 31.586 29.700 -0.257 0.000 1.313 246 E HN 0.608 nan 8.360 nan 0.000 0.456 247 T N -0.929 113.523 114.554 -0.170 0.000 2.932 247 T HA 0.653 5.003 4.350 0.000 0.000 0.289 247 T C -0.276 174.528 174.700 0.174 0.000 1.039 247 T CA -0.561 61.488 62.100 -0.085 0.000 1.024 247 T CB 1.127 69.913 68.868 -0.135 0.000 1.090 247 T HN 0.565 nan 8.240 nan 0.000 0.496 248 S N 0.901 116.669 115.700 0.113 0.000 2.498 248 S HA 0.268 4.738 4.470 0.000 0.000 0.281 248 S C 0.193 174.769 174.600 -0.039 0.000 1.265 248 S CA -0.698 57.446 58.200 -0.095 0.000 1.071 248 S CB 0.247 63.203 63.200 -0.406 0.000 0.894 248 S HN 0.815 nan 8.310 nan 0.000 0.491 249 K N 1.107 121.449 120.400 -0.097 0.000 2.506 249 K HA 0.235 4.555 4.320 0.000 0.000 0.204 249 K C -0.186 176.289 176.600 -0.209 0.000 1.045 249 K CA -0.323 55.851 56.287 -0.188 0.000 1.074 249 K CB 0.427 32.697 32.500 -0.384 0.000 0.842 249 K HN 0.633 nan 8.250 nan 0.000 0.514 250 M N 2.365 121.940 119.600 -0.041 0.000 2.185 250 M HA 0.071 4.551 4.480 0.000 0.000 0.357 250 M C -0.023 176.370 176.300 0.155 0.000 1.260 250 M CA -0.211 55.106 55.300 0.028 0.000 1.124 250 M CB 0.617 33.238 32.600 0.036 0.000 1.600 250 M HN 0.066 nan 8.290 nan 0.000 0.467 251 E N 3.615 123.873 120.200 0.098 0.000 2.608 251 E HA 0.186 4.536 4.350 0.000 0.000 0.259 251 E C 0.842 177.512 176.600 0.116 0.000 0.951 251 E CA 1.369 57.821 56.400 0.085 0.000 0.945 251 E CB -0.027 29.700 29.700 0.046 0.000 0.916 251 E HN 0.995 nan 8.360 nan 0.000 0.477 252 G N 3.919 112.738 108.800 0.031 0.000 2.254 252 G HA2 -0.253 3.707 3.960 0.000 0.000 0.225 252 G HA3 -0.253 3.707 3.960 0.000 0.000 0.225 252 G C 0.016 174.722 174.900 -0.323 0.000 1.003 252 G CA 0.147 45.165 45.100 -0.136 0.000 0.622 252 G HN 0.628 nan 8.290 nan 0.000 0.507 253 W N 2.177 123.466 121.300 -0.018 0.000 2.862 253 W HA 0.670 5.330 4.660 0.000 0.000 0.426 253 W C 0.216 176.676 176.519 -0.098 0.000 0.950 253 W CA -0.673 56.644 57.345 -0.046 0.000 2.150 253 W CB 0.455 29.945 29.460 0.050 0.000 1.161 253 W HN 0.111 nan 8.180 nan 0.000 0.696 254 E N 1.237 121.464 120.200 0.046 0.000 2.417 254 E HA -0.021 4.329 4.350 0.000 0.000 0.261 254 E C 0.693 177.291 176.600 -0.004 0.000 1.000 254 E CA 0.984 57.397 56.400 0.022 0.000 0.919 254 E CB 0.113 29.820 29.700 0.011 0.000 0.955 254 E HN 0.087 nan 8.360 nan 0.000 0.455 255 D N 1.511 121.920 120.400 0.015 0.000 3.046 255 D HA -0.234 4.406 4.640 0.000 0.000 0.210 255 D C 1.101 177.354 176.300 -0.079 0.000 1.124 255 D CA 1.336 55.349 54.000 0.023 0.000 0.986 255 D CB -0.555 40.284 40.800 0.065 0.000 1.118 255 D HN 0.380 nan 8.370 nan 0.000 0.416 256 K N -0.465 119.848 120.400 -0.145 0.000 2.031 256 K HA -0.013 4.307 4.320 0.000 0.000 0.205 256 K C 0.191 176.414 176.600 -0.628 0.000 1.049 256 K CA 1.428 57.489 56.287 -0.376 0.000 0.939 256 K CB 0.213 32.565 32.500 -0.245 0.000 0.717 256 K HN 0.242 nan 8.250 nan 0.000 0.438 257 Y N -1.786 118.428 120.300 -0.145 0.000 2.615 257 Y HA 0.646 5.196 4.550 0.000 0.000 0.341 257 Y C -0.836 174.980 175.900 -0.139 0.000 1.089 257 Y CA -1.244 56.767 58.100 -0.148 0.000 1.049 257 Y CB 2.032 40.358 38.460 -0.224 0.000 1.296 257 Y HN -0.033 nan 8.280 nan 0.000 0.470 258 A N 1.983 124.798 122.820 -0.008 0.000 2.435 258 A HA 0.862 5.182 4.320 0.000 0.000 0.304 258 A C -1.711 175.650 177.584 -0.370 0.000 1.064 258 A CA -0.760 51.070 52.037 -0.345 0.000 0.727 258 A CB 1.507 20.110 19.000 -0.662 0.000 1.284 258 A HN 0.751 nan 8.150 nan 0.000 0.415 259 I N 0.609 120.799 120.570 -0.632 0.000 2.730 259 I HA 0.765 4.935 4.170 0.000 0.000 0.298 259 I C -0.484 175.366 176.117 -0.444 0.000 1.089 259 I CA -0.763 60.151 61.300 -0.643 0.000 1.041 259 I CB 2.057 39.290 38.000 -1.278 0.000 1.235 259 I HN 0.896 nan 8.210 nan 0.000 0.423 260 A N 4.506 127.166 122.820 -0.266 0.000 2.414 260 A HA 0.861 5.181 4.320 0.000 0.000 0.306 260 A C -0.717 176.809 177.584 -0.096 0.000 1.054 260 A CA -0.430 51.502 52.037 -0.175 0.000 0.724 260 A CB 1.661 20.589 19.000 -0.119 0.000 1.267 260 A HN 0.842 nan 8.150 nan 0.000 0.418 261 G N -0.043 108.710 108.800 -0.078 0.000 2.452 261 G HA2 0.751 4.711 3.960 0.000 0.000 0.324 261 G HA3 0.751 4.711 3.960 0.000 0.000 0.324 261 G C -0.398 174.509 174.900 0.012 0.000 1.214 261 G CA 0.120 45.218 45.100 -0.002 0.000 0.947 261 G HN 1.524 nan 8.290 nan 0.000 0.478 262 A N 0.939 123.789 122.820 0.049 0.000 2.356 262 A HA 0.683 5.003 4.320 0.000 0.000 0.323 262 A C -0.039 177.686 177.584 0.235 0.000 1.119 262 A CA -0.650 51.428 52.037 0.069 0.000 0.790 262 A CB 1.157 20.150 19.000 -0.012 0.000 1.273 262 A HN 0.645 nan 8.150 nan 0.000 0.452 263 Y N -0.205 120.126 120.300 0.053 0.000 2.314 263 Y HA 0.124 4.674 4.550 0.000 0.000 0.294 263 Y C 0.563 176.594 175.900 0.218 0.000 1.119 263 Y CA 0.280 58.449 58.100 0.116 0.000 1.179 263 Y CB 0.306 38.843 38.460 0.130 0.000 1.025 263 Y HN 0.663 nan 8.280 nan 0.000 0.541 264 W N 1.342 122.743 121.300 0.168 0.000 3.439 264 W HA 0.297 4.957 4.660 0.000 0.000 0.323 264 W C -3.193 173.346 176.519 0.033 0.000 1.174 264 W CA -2.157 55.245 57.345 0.096 0.000 1.224 264 W CB 2.060 31.590 29.460 0.117 0.000 1.348 264 W HN -0.184 nan 8.180 nan 0.000 0.498 265 P HA 0.182 nan 4.420 nan 0.000 0.273 265 P C -2.542 174.386 177.300 -0.620 0.000 1.250 265 P CA -0.991 61.220 63.100 -1.482 0.000 0.793 265 P CB 0.074 31.149 31.700 -1.042 0.000 1.011 266 P HA 0.089 nan 4.420 nan 0.000 0.268 266 P C -0.682 176.500 177.300 -0.196 0.000 1.485 266 P CA 0.500 63.460 63.100 -0.232 0.000 1.102 266 P CB -0.419 31.174 31.700 -0.179 0.000 1.501 267 Q N 2.748 122.470 119.800 -0.131 0.000 2.756 267 Q HA 0.510 4.850 4.340 0.000 0.000 0.295 267 Q C -1.725 174.252 176.000 -0.039 0.000 0.903 267 Q CA -1.063 54.651 55.803 -0.148 0.000 0.768 267 Q CB 1.119 29.733 28.738 -0.207 0.000 1.472 267 Q HN 0.278 nan 8.270 nan 0.000 0.416 268 Y N -1.773 118.467 120.300 -0.101 0.000 2.553 268 Y HA 0.853 5.403 4.550 0.000 0.000 0.347 268 Y C -1.685 174.143 175.900 -0.121 0.000 1.019 268 Y CA -1.271 56.759 58.100 -0.117 0.000 1.032 268 Y CB 1.998 40.379 38.460 -0.131 0.000 1.284 268 Y HN 0.629 nan 8.280 nan 0.000 0.466 269 V N 4.823 124.769 119.914 0.052 0.000 2.638 269 V HA 0.590 4.710 4.120 0.000 0.000 0.306 269 V C -1.194 174.878 176.094 -0.036 0.000 1.052 269 V CA -1.002 61.277 62.300 -0.035 0.000 0.885 269 V CB 1.579 33.359 31.823 -0.072 0.000 0.999 269 V HN 0.852 nan 8.190 nan 0.000 0.424 270 I N 7.481 128.025 120.570 -0.044 0.000 2.342 270 I HA 0.442 4.612 4.170 0.000 0.000 0.291 270 I C 0.156 176.215 176.117 -0.097 0.000 1.010 270 I CA 0.003 61.248 61.300 -0.091 0.000 1.308 270 I CB 1.508 39.445 38.000 -0.105 0.000 1.400 270 I HN 0.539 nan 8.210 nan 0.000 0.488 271 M N 4.753 124.314 119.600 -0.065 0.000 2.598 271 M HA 0.303 4.783 4.480 0.000 0.000 0.317 271 M C -0.330 176.031 176.300 0.101 0.000 1.179 271 M CA -0.808 54.467 55.300 -0.042 0.000 0.936 271 M CB 1.745 34.293 32.600 -0.086 0.000 1.713 271 M HN 0.454 nan 8.290 nan 0.000 0.460 272 D N 1.156 121.587 120.400 0.050 0.000 2.450 272 D HA 0.011 4.651 4.640 0.000 0.000 0.247 272 D C 0.907 177.217 176.300 0.016 0.000 1.162 272 D CA 0.371 54.412 54.000 0.068 0.000 0.879 272 D CB 1.371 42.175 40.800 0.008 0.000 1.163 272 D HN 0.858 nan 8.370 nan 0.000 0.472 273 G N 3.417 112.189 108.800 -0.046 0.000 2.586 273 G HA2 -0.192 3.768 3.960 0.000 0.000 0.215 273 G HA3 -0.192 3.768 3.960 0.000 0.000 0.215 273 G C 1.157 176.001 174.900 -0.092 0.000 1.128 273 G CA 0.367 45.445 45.100 -0.037 0.000 0.774 273 G HN 0.635 nan 8.290 nan 0.000 0.543 274 E N -1.514 118.607 120.200 -0.132 0.000 2.508 274 E HA 0.034 4.384 4.350 0.000 0.000 0.217 274 E C 1.944 178.461 176.600 -0.138 0.000 0.896 274 E CA 0.773 57.025 56.400 -0.246 0.000 1.118 274 E CB 0.768 30.378 29.700 -0.150 0.000 1.133 274 E HN 0.452 nan 8.360 nan 0.000 0.526 275 T N -2.406 112.151 114.554 0.005 0.000 3.058 275 T HA 0.246 4.596 4.350 0.000 0.000 0.278 275 T C 0.924 175.798 174.700 0.290 0.000 0.974 275 T CA -0.337 61.862 62.100 0.165 0.000 0.893 275 T CB 0.309 69.353 68.868 0.292 0.000 1.138 275 T HN 0.102 nan 8.240 nan 0.000 0.529 276 L N 0.608 121.898 121.223 0.111 0.000 4.291 276 L HA -0.160 4.180 4.340 0.000 0.000 0.413 276 L C 0.337 177.011 176.870 -0.327 0.000 1.162 276 L CA 0.586 55.443 54.840 0.029 0.000 0.961 276 L CB -1.590 40.554 42.059 0.142 0.000 2.095 276 L HN 0.601 nan 8.230 nan 0.000 0.838 277 E N 3.400 123.333 120.200 -0.445 0.000 2.324 277 E HA 0.147 4.497 4.350 0.000 0.000 0.271 277 E C -1.965 174.288 176.600 -0.580 0.000 1.028 277 E CA -1.598 54.179 56.400 -1.038 0.000 0.890 277 E CB 0.829 30.089 29.700 -0.733 0.000 1.004 277 E HN 0.032 nan 8.360 nan 0.000 0.431 278 P HA 0.008 nan 4.420 nan 0.000 0.269 278 P C -0.497 176.666 177.300 -0.228 0.000 1.252 278 P CA -0.102 62.813 63.100 -0.308 0.000 0.780 278 P CB 1.034 32.580 31.700 -0.256 0.000 0.829 279 K N 1.969 122.278 120.400 -0.151 0.000 2.190 279 K HA 0.122 4.442 4.320 0.000 0.000 0.202 279 K C 0.589 177.130 176.600 -0.098 0.000 1.045 279 K CA 1.035 57.262 56.287 -0.101 0.000 0.976 279 K CB 0.104 32.574 32.500 -0.050 0.000 0.849 279 K HN 0.262 nan 8.250 nan 0.000 0.468 280 K N 0.655 120.991 120.400 -0.108 0.000 2.535 280 K HA 0.432 4.752 4.320 0.000 0.000 0.250 280 K C -1.487 175.033 176.600 -0.134 0.000 0.948 280 K CA -0.156 56.066 56.287 -0.109 0.000 0.796 280 K CB 1.191 33.634 32.500 -0.096 0.000 1.216 280 K HN -0.094 nan 8.250 nan 0.000 0.432 281 I N 4.022 124.496 120.570 -0.160 0.000 2.378 281 I HA 0.373 4.543 4.170 0.000 0.000 0.291 281 I C -0.355 175.574 176.117 -0.312 0.000 0.992 281 I CA -0.944 60.224 61.300 -0.219 0.000 1.154 281 I CB 1.703 39.609 38.000 -0.157 0.000 1.315 281 I HN 0.281 nan 8.210 nan 0.000 0.448 282 Q N 4.237 123.696 119.800 -0.569 0.000 2.333 282 Q HA 0.363 4.703 4.340 0.000 0.000 0.267 282 Q C -0.419 175.257 176.000 -0.539 0.000 1.012 282 Q CA -0.446 54.981 55.803 -0.627 0.000 0.824 282 Q CB 2.407 30.564 28.738 -0.969 0.000 1.290 282 Q HN 0.695 nan 8.270 nan 0.000 0.449 283 S N 0.832 116.353 115.700 -0.298 0.000 2.580 283 S HA 0.270 4.740 4.470 0.000 0.000 0.274 283 S C 0.782 175.295 174.600 -0.144 0.000 1.329 283 S CA 0.060 58.138 58.200 -0.203 0.000 1.036 283 S CB 0.503 63.626 63.200 -0.127 0.000 0.919 283 S HN 0.655 nan 8.310 nan 0.000 0.515 284 T N 1.457 115.954 114.554 -0.095 0.000 3.085 284 T HA 0.352 4.702 4.350 0.000 0.000 0.264 284 T C 0.479 175.160 174.700 -0.031 0.000 1.019 284 T CA -0.421 61.661 62.100 -0.029 0.000 0.910 284 T CB -0.150 68.722 68.868 0.007 0.000 1.059 284 T HN 0.563 nan 8.240 nan 0.000 0.542 285 R N 0.893 121.380 120.500 -0.021 0.000 2.590 285 R HA 0.564 4.904 4.340 0.000 0.000 0.274 285 R C 0.791 177.144 176.300 0.089 0.000 1.061 285 R CA 0.980 57.091 56.100 0.020 0.000 1.081 285 R CB 0.442 30.818 30.300 0.126 0.000 0.984 285 R HN 0.575 nan 8.270 nan 0.000 0.448 286 G N 1.274 110.108 108.800 0.056 0.000 2.325 286 G HA2 0.170 4.130 3.960 0.000 0.000 0.295 286 G HA3 0.170 4.130 3.960 0.000 0.000 0.295 286 G C -1.518 173.441 174.900 0.100 0.000 1.274 286 G CA -0.959 44.230 45.100 0.150 0.000 0.857 286 G HN 0.239 nan 8.290 nan 0.000 0.499 287 M N 1.851 121.521 119.600 0.116 0.000 2.249 287 M HA 0.392 4.872 4.480 0.000 0.000 0.351 287 M C 1.017 177.349 176.300 0.053 0.000 1.180 287 M CA -0.626 54.730 55.300 0.094 0.000 1.127 287 M CB 0.502 33.157 32.600 0.091 0.000 1.546 287 M HN 0.826 nan 8.290 nan 0.000 0.461 288 T N -0.124 114.453 114.554 0.039 0.000 2.926 288 T HA 0.109 4.460 4.350 0.000 0.000 0.307 288 T C 1.036 175.754 174.700 0.030 0.000 1.059 288 T CA -0.301 61.816 62.100 0.028 0.000 1.122 288 T CB 0.293 69.158 68.868 -0.005 0.000 0.972 288 T HN 0.675 nan 8.240 nan 0.000 0.545 289 Y N 2.025 122.312 120.300 -0.022 0.000 2.200 289 Y HA -0.067 4.483 4.550 0.000 0.000 0.290 289 Y C 1.759 177.657 175.900 -0.004 0.000 1.137 289 Y CA 1.608 59.700 58.100 -0.014 0.000 1.163 289 Y CB -0.763 37.685 38.460 -0.020 0.000 0.988 289 Y HN 0.702 nan 8.280 nan 0.000 0.518 290 D N 0.082 119.771 120.400 -1.186 0.000 2.154 290 D HA -0.135 4.505 4.640 0.000 0.000 0.211 290 D C 1.534 177.617 176.300 -0.361 0.000 0.977 290 D CA 1.589 55.051 54.000 -0.897 0.000 0.869 290 D CB -0.902 39.268 40.800 -1.051 0.000 1.022 290 D HN 0.593 nan 8.370 nan 0.000 0.461 291 E N 0.007 120.054 120.200 -0.256 0.000 2.358 291 E HA -0.018 4.332 4.350 0.000 0.000 0.195 291 E C -0.060 176.494 176.600 -0.076 0.000 1.010 291 E CA 0.048 56.373 56.400 -0.125 0.000 0.856 291 E CB -0.061 29.589 29.700 -0.082 0.000 0.795 291 E HN 0.295 nan 8.360 nan 0.000 0.504 292 Q N 1.113 120.869 119.800 -0.073 0.000 2.453 292 Q HA -0.159 4.181 4.340 0.000 0.000 0.350 292 Q C -0.949 175.059 176.000 0.012 0.000 1.447 292 Q CA 0.599 56.391 55.803 -0.018 0.000 0.968 292 Q CB -0.875 27.855 28.738 -0.013 0.000 1.175 292 Q HN 0.217 nan 8.270 nan 0.000 0.354 293 E N 0.609 120.826 120.200 0.028 0.000 2.266 293 E HA 0.247 4.597 4.350 0.000 0.000 0.268 293 E C -0.845 175.819 176.600 0.107 0.000 0.879 293 E CA -0.973 55.462 56.400 0.058 0.000 0.762 293 E CB 1.058 30.776 29.700 0.030 0.000 1.199 293 E HN 0.254 nan 8.360 nan 0.000 0.422 294 Y N 2.631 122.941 120.300 0.016 0.000 2.610 294 Y HA 0.007 4.557 4.550 0.000 0.000 0.332 294 Y C -0.266 175.667 175.900 0.056 0.000 1.201 294 Y CA 0.646 58.767 58.100 0.035 0.000 1.465 294 Y CB 0.330 38.799 38.460 0.016 0.000 1.283 294 Y HN 0.370 nan 8.280 nan 0.000 0.563 295 H N 8.761 127.390 119.070 -0.734 0.000 2.646 295 H HA 0.284 4.840 4.556 0.000 0.000 0.328 295 H C -2.182 172.627 175.328 -0.865 0.000 0.998 295 H CA -2.502 53.202 56.048 -0.574 0.000 1.225 295 H CB 2.258 31.843 29.762 -0.294 0.000 1.457 295 H HN 0.500 nan 8.280 nan 0.000 0.505 296 P HA 0.028 nan 4.420 nan 0.000 0.236 296 P C -0.422 176.938 177.300 0.101 0.000 1.177 296 P CA 0.578 63.559 63.100 -0.197 0.000 0.773 296 P CB 0.731 32.444 31.700 0.021 0.000 0.878 297 E N 0.219 120.612 120.200 0.321 0.000 4.129 297 E HA 0.251 4.601 4.350 0.000 0.000 0.222 297 E C -2.677 173.983 176.600 0.099 0.000 1.179 297 E CA -1.697 54.879 56.400 0.292 0.000 1.334 297 E CB 0.700 30.629 29.700 0.381 0.000 1.202 297 E HN 0.253 nan 8.360 nan 0.000 0.428 298 P HA 0.112 nan 4.420 nan 0.000 0.279 298 P C -0.473 176.745 177.300 -0.137 0.000 1.318 298 P CA -0.227 62.711 63.100 -0.270 0.000 0.819 298 P CB 0.453 32.001 31.700 -0.253 0.000 0.927 299 R N 1.921 122.328 120.500 -0.154 0.000 2.543 299 R HA 0.299 4.639 4.340 0.000 0.000 0.277 299 R C -0.200 176.074 176.300 -0.043 0.000 1.074 299 R CA -0.710 55.319 56.100 -0.118 0.000 1.076 299 R CB 0.538 30.602 30.300 -0.392 0.000 0.993 299 R HN 0.231 nan 8.270 nan 0.000 0.459 300 V N 3.416 123.382 119.914 0.086 0.000 2.432 300 V HA 0.206 4.326 4.120 0.000 0.000 0.271 300 V C 0.742 176.948 176.094 0.187 0.000 1.046 300 V CA 0.100 62.460 62.300 0.100 0.000 0.945 300 V CB 0.787 32.669 31.823 0.098 0.000 0.992 300 V HN 0.993 nan 8.190 nan 0.000 0.471 301 A N 5.290 128.172 122.820 0.102 0.000 3.763 301 A HA 0.869 5.189 4.320 0.000 0.000 0.173 301 A C 0.993 178.580 177.584 0.005 0.000 1.783 301 A CA 0.318 52.415 52.037 0.100 0.000 1.617 301 A CB -0.433 18.598 19.000 0.052 0.000 1.579 301 A HN 1.030 nan 8.150 nan 0.000 0.614 302 A N -0.856 121.932 122.820 -0.053 0.000 2.406 302 A HA 0.549 4.869 4.320 0.000 0.000 0.243 302 A C -0.316 177.226 177.584 -0.070 0.000 1.082 302 A CA 0.232 52.242 52.037 -0.047 0.000 0.786 302 A CB -0.333 18.670 19.000 0.005 0.000 1.029 302 A HN 0.545 nan 8.150 nan 0.000 0.495 303 I N 1.778 122.279 120.570 -0.115 0.000 2.512 303 I HA 0.311 4.481 4.170 0.000 0.000 0.287 303 I C -0.596 175.415 176.117 -0.178 0.000 1.069 303 I CA -0.133 61.049 61.300 -0.197 0.000 1.056 303 I CB 1.422 39.263 38.000 -0.265 0.000 1.229 303 I HN 0.496 nan 8.210 nan 0.000 0.429 304 L N 4.275 125.365 121.223 -0.222 0.000 2.260 304 L HA 0.903 5.243 4.340 0.000 0.000 0.265 304 L C -0.090 176.735 176.870 -0.074 0.000 1.015 304 L CA -1.024 53.728 54.840 -0.147 0.000 0.826 304 L CB 1.836 43.796 42.059 -0.165 0.000 1.373 304 L HN 0.602 nan 8.230 nan 0.000 0.450 305 A N 0.439 123.239 122.820 -0.034 0.000 2.356 305 A HA 0.538 4.858 4.320 0.000 0.000 0.310 305 A C -0.387 177.112 177.584 -0.142 0.000 1.075 305 A CA -0.371 51.649 52.037 -0.029 0.000 0.746 305 A CB 1.655 20.649 19.000 -0.010 0.000 1.221 305 A HN 0.586 nan 8.150 nan 0.000 0.443 306 S N 0.446 116.043 115.700 -0.173 0.000 2.572 306 S HA 0.174 4.644 4.470 0.000 0.000 0.279 306 S C 0.540 175.052 174.600 -0.147 0.000 1.341 306 S CA -0.105 58.026 58.200 -0.114 0.000 1.043 306 S CB 0.053 63.157 63.200 -0.159 0.000 0.887 306 S HN 0.712 nan 8.310 nan 0.000 0.516 307 H N 3.056 122.154 119.070 0.047 0.000 2.652 307 H HA 0.133 4.689 4.556 0.000 0.000 0.274 307 H C 0.217 175.552 175.328 0.011 0.000 1.021 307 H CA 0.338 56.416 56.048 0.051 0.000 1.187 307 H CB 0.348 30.175 29.762 0.108 0.000 1.505 307 H HN 0.704 nan 8.280 nan 0.000 0.530 308 Y N 0.591 120.902 120.300 0.018 0.000 2.524 308 Y HA 0.223 4.773 4.550 0.000 0.000 0.270 308 Y C 0.714 176.568 175.900 -0.076 0.000 1.094 308 Y CA 0.371 58.455 58.100 -0.026 0.000 1.276 308 Y CB 0.846 39.271 38.460 -0.058 0.000 1.130 308 Y HN -0.128 nan 8.280 nan 0.000 0.536 309 R N -0.249 120.243 120.500 -0.014 0.000 2.774 309 R HA 0.306 4.646 4.340 0.000 0.000 0.272 309 R C -2.839 173.263 176.300 -0.330 0.000 1.000 309 R CA -2.074 53.937 56.100 -0.149 0.000 0.906 309 R CB 1.303 31.507 30.300 -0.161 0.000 1.227 309 R HN -0.313 nan 8.270 nan 0.000 0.468 310 P HA 0.100 nan 4.420 nan 0.000 0.230 310 P C -1.173 175.158 177.300 -1.614 0.000 1.791 310 P CA 0.309 62.774 63.100 -1.059 0.000 1.020 310 P CB 0.084 31.017 31.700 -1.278 0.000 1.977 311 E N 0.527 120.090 120.200 -1.061 0.000 2.416 311 E HA 0.546 4.896 4.350 0.000 0.000 0.273 311 E C -0.953 175.297 176.600 -0.583 0.000 0.935 311 E CA -0.813 55.068 56.400 -0.865 0.000 0.784 311 E CB 1.282 30.692 29.700 -0.484 0.000 1.301 311 E HN 0.009 nan 8.360 nan 0.000 0.454 312 F N 0.958 120.759 119.950 -0.248 0.000 2.450 312 F HA 0.463 4.990 4.527 0.000 0.000 0.332 312 F C 0.069 175.678 175.800 -0.318 0.000 1.093 312 F CA -0.821 57.044 58.000 -0.224 0.000 1.003 312 F CB 0.980 39.852 39.000 -0.213 0.000 1.151 312 F HN 0.216 nan 8.300 nan 0.000 0.474 313 I N 3.898 124.381 120.570 -0.145 0.000 2.330 313 I HA 0.333 4.503 4.170 0.000 0.000 0.286 313 I C -1.000 174.900 176.117 -0.363 0.000 1.025 313 I CA -0.643 60.444 61.300 -0.355 0.000 1.197 313 I CB 0.984 38.609 38.000 -0.626 0.000 1.358 313 I HN 0.117 nan 8.210 nan 0.000 0.467 314 V N 5.694 125.422 119.914 -0.310 0.000 2.370 314 V HA 0.311 4.431 4.120 0.000 0.000 0.283 314 V C 0.049 176.044 176.094 -0.165 0.000 1.023 314 V CA -0.718 61.412 62.300 -0.284 0.000 0.857 314 V CB 1.429 32.995 31.823 -0.429 0.000 0.985 314 V HN 0.584 nan 8.190 nan 0.000 0.443 315 N N 3.260 121.904 118.700 -0.093 0.000 2.444 315 N HA 0.408 5.148 4.740 0.000 0.000 0.271 315 N C -0.649 174.847 175.510 -0.023 0.000 1.069 315 N CA -0.150 52.892 53.050 -0.012 0.000 0.965 315 N CB 1.806 40.325 38.487 0.054 0.000 1.092 315 N HN 0.438 nan 8.380 nan 0.000 0.476 316 V N 3.803 123.698 119.914 -0.032 0.000 2.293 316 V HA 0.182 4.302 4.120 0.000 0.000 0.275 316 V C 1.560 177.607 176.094 -0.079 0.000 1.021 316 V CA -0.722 61.550 62.300 -0.047 0.000 0.815 316 V CB 1.198 32.994 31.823 -0.045 0.000 1.025 316 V HN 0.674 nan 8.190 nan 0.000 0.448 317 K N 3.408 123.755 120.400 -0.088 0.000 1.977 317 K HA -0.230 4.090 4.320 0.000 0.000 0.218 317 K C 1.656 178.112 176.600 -0.239 0.000 1.051 317 K CA 2.410 58.627 56.287 -0.116 0.000 0.953 317 K CB 0.183 32.626 32.500 -0.096 0.000 0.727 317 K HN 0.685 nan 8.250 nan 0.000 0.445 318 E N -0.404 119.588 120.200 -0.348 0.000 2.204 318 E HA -0.106 4.244 4.350 0.000 0.000 0.194 318 E C 1.779 178.152 176.600 -0.379 0.000 0.989 318 E CA 1.751 57.857 56.400 -0.489 0.000 0.824 318 E CB -0.065 29.163 29.700 -0.786 0.000 0.756 318 E HN 0.626 nan 8.360 nan 0.000 0.477 319 T N -3.338 111.054 114.554 -0.269 0.000 3.081 319 T HA 0.231 4.581 4.350 0.000 0.000 0.250 319 T C 1.495 176.214 174.700 0.032 0.000 1.100 319 T CA 0.189 62.226 62.100 -0.105 0.000 1.038 319 T CB 0.142 68.959 68.868 -0.084 0.000 0.962 319 T HN 0.219 nan 8.240 nan 0.000 0.516 320 G N 2.196 110.972 108.800 -0.040 0.000 2.295 320 G HA2 -0.196 3.764 3.960 0.000 0.000 0.287 320 G HA3 -0.196 3.764 3.960 0.000 0.000 0.287 320 G C -0.325 174.495 174.900 -0.134 0.000 1.055 320 G CA -0.211 44.842 45.100 -0.078 0.000 0.922 320 G HN 0.553 nan 8.290 nan 0.000 0.503 321 K N -0.225 120.130 120.400 -0.076 0.000 2.270 321 K HA 0.642 4.962 4.320 0.000 0.000 0.255 321 K C 0.126 176.691 176.600 -0.058 0.000 0.936 321 K CA -0.866 55.384 56.287 -0.062 0.000 0.809 321 K CB 2.199 34.686 32.500 -0.021 0.000 1.131 321 K HN 0.244 nan 8.250 nan 0.000 0.427 322 I N 4.016 124.552 120.570 -0.058 0.000 2.354 322 I HA 0.323 4.494 4.170 0.000 0.000 0.292 322 I C -0.269 175.806 176.117 -0.070 0.000 0.989 322 I CA -0.801 60.473 61.300 -0.043 0.000 1.188 322 I CB 0.954 38.956 38.000 0.003 0.000 1.342 322 I HN 0.224 nan 8.210 nan 0.000 0.457 323 L N 7.057 128.219 121.223 -0.102 0.000 2.317 323 L HA 0.561 4.901 4.340 0.000 0.000 0.281 323 L C -0.687 176.088 176.870 -0.159 0.000 1.024 323 L CA -0.698 54.075 54.840 -0.112 0.000 0.810 323 L CB 1.481 43.480 42.059 -0.099 0.000 1.240 323 L HN 0.419 nan 8.230 nan 0.000 0.427 324 L N 4.255 125.395 121.223 -0.139 0.000 2.295 324 L HA 0.463 4.803 4.340 0.000 0.000 0.281 324 L C -0.675 176.098 176.870 -0.161 0.000 1.018 324 L CA -0.627 54.112 54.840 -0.169 0.000 0.841 324 L CB 1.716 43.678 42.059 -0.162 0.000 1.218 324 L HN 0.310 nan 8.230 nan 0.000 0.424 325 V N 2.092 121.901 119.914 -0.175 0.000 2.328 325 V HA 0.177 4.297 4.120 0.000 0.000 0.278 325 V C 0.036 175.974 176.094 -0.260 0.000 1.021 325 V CA -0.622 61.592 62.300 -0.143 0.000 0.838 325 V CB 1.629 33.412 31.823 -0.067 0.000 0.999 325 V HN 0.608 nan 8.190 nan 0.000 0.447 326 D N 4.386 124.614 120.400 -0.287 0.000 2.339 326 D HA 0.060 4.700 4.640 0.000 0.000 0.256 326 D C 0.190 176.241 176.300 -0.414 0.000 1.214 326 D CA -0.206 53.524 54.000 -0.450 0.000 0.877 326 D CB 1.147 41.757 40.800 -0.316 0.000 1.111 326 D HN 0.660 nan 8.370 nan 0.000 0.478 327 Y N 1.229 121.249 120.300 -0.466 0.000 2.532 327 Y HA 0.157 4.707 4.550 0.000 0.000 0.283 327 Y C 1.821 177.444 175.900 -0.463 0.000 1.181 327 Y CA -0.162 57.642 58.100 -0.493 0.000 1.256 327 Y CB -0.766 37.317 38.460 -0.629 0.000 1.112 327 Y HN 0.221 nan 8.280 nan 0.000 0.521 328 T N -3.401 110.942 114.554 -0.352 0.000 3.023 328 T HA -0.016 4.334 4.350 0.000 0.000 0.266 328 T C 0.144 174.879 174.700 0.058 0.000 1.093 328 T CA 0.960 62.959 62.100 -0.167 0.000 1.129 328 T CB -0.017 68.771 68.868 -0.133 0.000 0.899 328 T HN 0.296 nan 8.240 nan 0.000 0.491 329 D N -0.106 120.284 120.400 -0.016 0.000 2.478 329 D HA 0.281 4.921 4.640 0.000 0.000 0.240 329 D C 0.539 176.827 176.300 -0.020 0.000 1.364 329 D CA -0.508 53.503 54.000 0.017 0.000 0.987 329 D CB 1.106 41.911 40.800 0.009 0.000 1.328 329 D HN 0.171 nan 8.370 nan 0.000 0.584 330 L N 1.926 123.143 121.223 -0.010 0.000 2.418 330 L HA 0.085 4.425 4.340 0.000 0.000 0.218 330 L C 1.290 178.142 176.870 -0.029 0.000 1.125 330 L CA 0.402 55.218 54.840 -0.040 0.000 0.835 330 L CB 0.191 42.213 42.059 -0.061 0.000 0.953 330 L HN 0.288 nan 8.230 nan 0.000 0.454 331 D N -0.019 120.374 120.400 -0.012 0.000 2.216 331 D HA -0.017 4.623 4.640 0.000 0.000 0.208 331 D C 0.633 176.923 176.300 -0.018 0.000 0.960 331 D CA 0.839 54.831 54.000 -0.013 0.000 0.861 331 D CB 0.134 40.932 40.800 -0.002 0.000 0.985 331 D HN 0.281 nan 8.370 nan 0.000 0.493 332 N N 1.374 120.064 118.700 -0.017 0.000 3.112 332 N HA 0.132 4.872 4.740 0.000 0.000 0.270 332 N C -0.554 174.936 175.510 -0.032 0.000 1.385 332 N CA -0.269 52.769 53.050 -0.021 0.000 0.986 332 N CB 1.469 39.948 38.487 -0.014 0.000 1.261 332 N HN 0.058 nan 8.380 nan 0.000 0.495 333 L N 1.586 122.787 121.223 -0.037 0.000 2.433 333 L HA 0.130 4.470 4.340 0.000 0.000 0.275 333 L C 0.126 176.967 176.870 -0.048 0.000 1.128 333 L CA 0.205 55.017 54.840 -0.046 0.000 0.875 333 L CB 0.097 42.133 42.059 -0.038 0.000 1.171 333 L HN 0.066 nan 8.230 nan 0.000 0.463 334 K N 3.676 124.035 120.400 -0.069 0.000 2.201 334 K HA 0.582 4.902 4.320 0.000 0.000 0.278 334 K C -0.218 176.334 176.600 -0.081 0.000 1.027 334 K CA -0.394 55.849 56.287 -0.073 0.000 0.909 334 K CB 1.178 33.623 32.500 -0.092 0.000 1.062 334 K HN 0.754 nan 8.250 nan 0.000 0.465 335 T N -1.482 113.034 114.554 -0.062 0.000 2.883 335 T HA 0.408 4.758 4.350 0.000 0.000 0.301 335 T C -0.614 174.051 174.700 -0.059 0.000 1.158 335 T CA -0.838 61.225 62.100 -0.061 0.000 1.007 335 T CB 1.807 70.662 68.868 -0.021 0.000 1.186 335 T HN 0.286 nan 8.240 nan 0.000 0.499 336 T N 1.865 116.378 114.554 -0.068 0.000 2.815 336 T HA 0.435 4.785 4.350 0.000 0.000 0.289 336 T C -0.718 173.951 174.700 -0.051 0.000 1.000 336 T CA -0.578 61.486 62.100 -0.060 0.000 0.958 336 T CB 1.250 70.074 68.868 -0.073 0.000 0.944 336 T HN 0.791 nan 8.240 nan 0.000 0.442 337 E N 4.613 124.793 120.200 -0.033 0.000 1.993 337 E HA 0.302 4.652 4.350 0.000 0.000 0.271 337 E C -0.596 175.989 176.600 -0.025 0.000 1.008 337 E CA -0.413 55.973 56.400 -0.023 0.000 0.814 337 E CB 0.307 30.004 29.700 -0.004 0.000 1.098 337 E HN 0.583 nan 8.360 nan 0.000 0.407 338 I N 3.242 123.788 120.570 -0.041 0.000 2.342 338 I HA 0.089 4.259 4.170 0.000 0.000 0.291 338 I C 0.258 176.340 176.117 -0.059 0.000 1.010 338 I CA -0.407 60.864 61.300 -0.048 0.000 1.308 338 I CB 1.605 39.568 38.000 -0.062 0.000 1.400 338 I HN 0.366 nan 8.210 nan 0.000 0.488 339 S N 5.147 120.820 115.700 -0.045 0.000 2.481 339 S HA 0.482 4.952 4.470 0.000 0.000 0.276 339 S C 0.515 174.974 174.600 -0.234 0.000 1.247 339 S CA -0.309 57.853 58.200 -0.064 0.000 1.053 339 S CB 1.310 64.563 63.200 0.088 0.000 0.925 339 S HN 0.799 nan 8.310 nan 0.000 0.491 340 A N 3.426 125.948 122.820 -0.498 0.000 2.290 340 A HA 0.804 5.124 4.320 0.000 0.000 0.204 340 A C -0.226 176.849 177.584 -0.849 0.000 2.001 340 A CA -0.160 51.575 52.037 -0.504 0.000 1.643 340 A CB 0.141 18.962 19.000 -0.297 0.000 1.293 340 A HN 0.593 nan 8.150 nan 0.000 0.474 341 E N -0.085 119.731 120.200 -0.640 0.000 2.352 341 E HA 0.491 4.841 4.350 0.000 0.000 0.280 341 E C -1.082 175.435 176.600 -0.138 0.000 0.930 341 E CA -0.466 55.693 56.400 -0.402 0.000 0.765 341 E CB 1.206 30.830 29.700 -0.126 0.000 1.219 341 E HN 0.424 nan 8.360 nan 0.000 0.434 342 R N 2.306 122.871 120.500 0.110 0.000 2.694 342 R HA 0.310 4.650 4.340 0.000 0.000 0.268 342 R C -0.270 176.114 176.300 0.140 0.000 1.061 342 R CA 0.531 56.652 56.100 0.034 0.000 1.133 342 R CB 0.089 30.367 30.300 -0.037 0.000 1.020 342 R HN 0.733 nan 8.270 nan 0.000 0.475 343 F N -1.366 118.595 119.950 0.019 0.000 2.599 343 F HA -0.209 4.318 4.527 0.000 0.000 0.287 343 F C 0.008 175.834 175.800 0.043 0.000 0.685 343 F CA -0.183 57.832 58.000 0.026 0.000 1.610 343 F CB -1.857 37.160 39.000 0.028 0.000 1.930 343 F HN 0.384 nan 8.300 nan 0.000 0.333 344 L N 0.534 121.832 121.223 0.125 0.000 2.525 344 L HA 0.122 4.462 4.340 0.000 0.000 0.278 344 L C 1.305 178.289 176.870 0.190 0.000 1.218 344 L CA 0.782 55.686 54.840 0.107 0.000 0.878 344 L CB 0.464 42.546 42.059 0.039 0.000 1.127 344 L HN 0.326 nan 8.230 nan 0.000 0.492 345 H N 1.096 120.210 119.070 0.073 0.000 4.819 345 H HA 0.200 4.756 4.556 0.000 0.000 0.100 345 H C -0.602 174.779 175.328 0.089 0.000 1.259 345 H CA 0.183 56.289 56.048 0.096 0.000 0.709 345 H CB 0.569 30.396 29.762 0.109 0.000 1.480 345 H HN 0.731 nan 8.280 nan 0.000 0.183 346 D N 0.016 120.427 120.400 0.017 0.000 2.384 346 D HA 0.558 5.198 4.640 0.000 0.000 0.250 346 D C 0.322 176.637 176.300 0.025 0.000 1.029 346 D CA -0.329 53.653 54.000 -0.031 0.000 0.990 346 D CB 2.004 42.761 40.800 -0.071 0.000 1.175 346 D HN 0.706 nan 8.370 nan 0.000 0.532 347 G N -2.396 106.451 108.800 0.079 0.000 2.349 347 G HA2 0.605 4.565 3.960 0.000 0.000 0.294 347 G HA3 0.605 4.565 3.960 0.000 0.000 0.294 347 G C -1.189 173.833 174.900 0.204 0.000 1.380 347 G CA -0.362 44.757 45.100 0.030 0.000 0.811 347 G HN 0.831 nan 8.290 nan 0.000 0.519 348 G N -1.448 107.441 108.800 0.148 0.000 2.682 348 G HA2 0.658 4.618 3.960 0.000 0.000 0.290 348 G HA3 0.658 4.618 3.960 0.000 0.000 0.290 348 G C -1.114 174.002 174.900 0.360 0.000 1.425 348 G CA -0.888 44.455 45.100 0.403 0.000 0.807 348 G HN 0.695 nan 8.290 nan 0.000 0.482 349 L N 1.492 123.037 121.223 0.536 0.000 2.375 349 L HA 0.314 4.654 4.340 0.000 0.000 0.271 349 L C 0.616 177.679 176.870 0.322 0.000 1.107 349 L CA -1.052 53.991 54.840 0.339 0.000 0.806 349 L CB 1.170 43.376 42.059 0.244 0.000 1.146 349 L HN 0.759 nan 8.230 nan 0.000 0.447 350 D N 1.639 122.186 120.400 0.244 0.000 2.393 350 D HA -0.024 4.616 4.640 0.000 0.000 0.246 350 D C 1.164 177.596 176.300 0.220 0.000 1.275 350 D CA 0.025 54.188 54.000 0.272 0.000 0.979 350 D CB 0.898 41.877 40.800 0.298 0.000 1.101 350 D HN 0.619 nan 8.370 nan 0.000 0.505 351 G N -0.639 108.251 108.800 0.149 0.000 2.475 351 G HA2 -0.292 3.668 3.960 0.000 0.000 0.220 351 G HA3 -0.292 3.668 3.960 0.000 0.000 0.220 351 G C 1.472 176.316 174.900 -0.093 0.000 1.125 351 G CA 1.378 46.483 45.100 0.008 0.000 0.755 351 G HN 0.606 nan 8.290 nan 0.000 0.565 352 S N -1.233 114.485 115.700 0.030 0.000 2.603 352 S HA 0.060 4.530 4.470 0.000 0.000 0.220 352 S C 1.006 175.666 174.600 0.099 0.000 0.967 352 S CA 0.782 58.997 58.200 0.026 0.000 0.920 352 S CB -0.530 62.750 63.200 0.132 0.000 0.773 352 S HN 0.685 nan 8.310 nan 0.000 0.529 353 H N -0.226 118.867 119.070 0.039 0.000 3.080 353 H HA -0.171 4.385 4.556 0.000 0.000 0.254 353 H C 1.350 176.735 175.328 0.095 0.000 1.179 353 H CA 0.899 56.957 56.048 0.017 0.000 1.144 353 H CB -1.005 28.642 29.762 -0.192 0.000 1.261 353 H HN 0.566 nan 8.280 nan 0.000 0.333 354 R N 0.191 120.700 120.500 0.016 0.000 2.225 354 R HA 0.101 4.441 4.340 0.000 0.000 0.194 354 R C -0.352 175.595 176.300 -0.588 0.000 0.957 354 R CA 0.348 56.093 56.100 -0.591 0.000 1.042 354 R CB 0.630 30.276 30.300 -1.091 0.000 1.004 354 R HN 0.144 nan 8.270 nan 0.000 0.509 355 Y N -0.029 120.262 120.300 -0.015 0.000 2.352 355 Y HA 0.311 4.861 4.550 0.000 0.000 0.339 355 Y C -0.788 175.105 175.900 -0.011 0.000 0.992 355 Y CA -1.382 56.688 58.100 -0.050 0.000 1.100 355 Y CB 1.301 39.755 38.460 -0.011 0.000 1.192 355 Y HN -0.093 nan 8.280 nan 0.000 0.458 356 F N 5.159 125.054 119.950 -0.091 0.000 2.405 356 F HA 0.594 5.121 4.527 0.000 0.000 0.355 356 F C -0.873 174.766 175.800 -0.269 0.000 1.121 356 F CA -1.635 56.279 58.000 -0.144 0.000 1.112 356 F CB 0.197 39.119 39.000 -0.130 0.000 1.126 356 F HN 0.333 nan 8.300 nan 0.000 0.481 357 I N 6.012 126.093 120.570 -0.814 0.000 2.382 357 I HA 0.306 4.476 4.170 0.000 0.000 0.286 357 I C -0.185 175.232 176.117 -1.166 0.000 1.002 357 I CA -0.396 60.286 61.300 -1.031 0.000 1.135 357 I CB 1.753 38.961 38.000 -1.320 0.000 1.288 357 I HN 0.579 nan 8.210 nan 0.000 0.448 358 T N 4.713 118.686 114.554 -0.968 0.000 2.909 358 T HA 0.725 5.075 4.350 0.000 0.000 0.299 358 T C -0.816 173.703 174.700 -0.302 0.000 1.073 358 T CA -0.497 61.209 62.100 -0.658 0.000 0.999 358 T CB 1.547 69.945 68.868 -0.783 0.000 1.098 358 T HN 0.595 nan 8.240 nan 0.000 0.477 359 A N 2.567 125.321 122.820 -0.110 0.000 2.320 359 A HA 0.703 5.023 4.320 0.000 0.000 0.287 359 A C 0.596 178.199 177.584 0.032 0.000 1.181 359 A CA -0.283 51.746 52.037 -0.013 0.000 0.831 359 A CB 0.025 19.052 19.000 0.045 0.000 1.102 359 A HN 1.183 nan 8.150 nan 0.000 0.513 360 A N 3.651 126.489 122.820 0.030 0.000 3.016 360 A HA 0.366 4.686 4.320 0.000 0.000 0.303 360 A C 1.150 178.788 177.584 0.091 0.000 1.507 360 A CA -0.257 51.837 52.037 0.095 0.000 1.196 360 A CB -0.792 18.251 19.000 0.071 0.000 1.169 360 A HN 1.027 nan 8.150 nan 0.000 0.544 361 N N 2.558 121.313 118.700 0.092 0.000 2.037 361 N HA -0.267 4.473 4.740 0.000 0.000 0.196 361 N C 1.437 176.902 175.510 -0.077 0.000 1.034 361 N CA 2.381 55.447 53.050 0.026 0.000 0.861 361 N CB -0.605 37.900 38.487 0.030 0.000 1.039 361 N HN 0.485 nan 8.380 nan 0.000 0.427 362 A N -0.247 122.425 122.820 -0.247 0.000 2.125 362 A HA 0.009 4.329 4.320 0.000 0.000 0.219 362 A C 2.000 179.367 177.584 -0.363 0.000 1.156 362 A CA 0.929 52.651 52.037 -0.524 0.000 0.671 362 A CB -0.402 17.750 19.000 -1.413 0.000 0.794 362 A HN 0.423 nan 8.150 nan 0.000 0.459 363 R N -0.775 119.618 120.500 -0.179 0.000 2.432 363 R HA 0.100 4.440 4.340 0.000 0.000 0.260 363 R C -0.303 175.991 176.300 -0.009 0.000 0.935 363 R CA 0.023 56.089 56.100 -0.057 0.000 1.080 363 R CB 0.193 30.521 30.300 0.048 0.000 1.155 363 R HN 0.447 nan 8.270 nan 0.000 0.531 364 N N 1.703 120.402 118.700 -0.001 0.000 2.721 364 N HA -0.194 4.546 4.740 0.000 0.000 0.249 364 N C -0.958 174.583 175.510 0.051 0.000 1.072 364 N CA 1.381 54.457 53.050 0.044 0.000 0.710 364 N CB -0.864 37.646 38.487 0.038 0.000 0.993 364 N HN 0.375 nan 8.380 nan 0.000 0.547 365 K N 0.223 120.644 120.400 0.036 0.000 2.340 365 K HA 0.619 4.939 4.320 0.000 0.000 0.244 365 K C 0.110 176.711 176.600 0.000 0.000 0.973 365 K CA -0.725 55.575 56.287 0.022 0.000 0.828 365 K CB 1.907 34.413 32.500 0.010 0.000 1.226 365 K HN -0.047 nan 8.250 nan 0.000 0.437 366 L N 2.014 123.225 121.223 -0.021 0.000 2.322 366 L HA 0.451 4.791 4.340 0.000 0.000 0.281 366 L C -0.640 176.136 176.870 -0.157 0.000 1.014 366 L CA -1.172 53.619 54.840 -0.082 0.000 0.815 366 L CB 1.774 43.806 42.059 -0.045 0.000 1.247 366 L HN 0.246 nan 8.230 nan 0.000 0.421 367 V N 4.075 123.846 119.914 -0.239 0.000 2.483 367 V HA 0.459 4.579 4.120 0.000 0.000 0.295 367 V C -0.130 175.726 176.094 -0.398 0.000 1.035 367 V CA -0.596 61.541 62.300 -0.271 0.000 0.896 367 V CB 2.275 33.959 31.823 -0.232 0.000 0.986 367 V HN 0.422 nan 8.190 nan 0.000 0.447 368 V N 6.229 125.894 119.914 -0.416 0.000 2.444 368 V HA 0.535 4.655 4.120 0.000 0.000 0.294 368 V C -0.589 175.250 176.094 -0.424 0.000 1.022 368 V CA -0.488 61.475 62.300 -0.562 0.000 0.850 368 V CB 1.627 32.883 31.823 -0.945 0.000 0.992 368 V HN 0.637 nan 8.190 nan 0.000 0.426 369 I N 3.434 123.848 120.570 -0.261 0.000 2.441 369 I HA 0.438 4.608 4.170 0.000 0.000 0.295 369 I C -0.128 175.958 176.117 -0.053 0.000 0.994 369 I CA -0.197 61.035 61.300 -0.114 0.000 1.144 369 I CB 1.847 39.858 38.000 0.017 0.000 1.314 369 I HN 0.567 nan 8.210 nan 0.000 0.445 370 D N 3.598 123.966 120.400 -0.053 0.000 2.380 370 D HA 0.097 4.737 4.640 0.000 0.000 0.230 370 D C 1.156 177.340 176.300 -0.194 0.000 1.154 370 D CA -0.037 53.898 54.000 -0.109 0.000 0.859 370 D CB 1.156 41.942 40.800 -0.022 0.000 1.045 370 D HN 0.701 nan 8.370 nan 0.000 0.495 371 T N 1.235 115.627 114.554 -0.271 0.000 2.995 371 T HA -0.131 4.219 4.350 0.000 0.000 0.269 371 T C 1.636 176.214 174.700 -0.203 0.000 1.091 371 T CA 0.857 62.833 62.100 -0.207 0.000 1.128 371 T CB 0.158 68.925 68.868 -0.168 0.000 0.891 371 T HN 0.382 nan 8.240 nan 0.000 0.492 372 K N 0.821 121.035 120.400 -0.311 0.000 2.007 372 K HA -0.059 4.261 4.320 0.000 0.000 0.206 372 K C 2.182 178.722 176.600 -0.100 0.000 1.047 372 K CA 1.189 57.371 56.287 -0.174 0.000 0.937 372 K CB 0.031 32.392 32.500 -0.233 0.000 0.718 372 K HN 0.147 nan 8.250 nan 0.000 0.438 373 E N -0.318 119.817 120.200 -0.108 0.000 2.358 373 E HA 0.011 4.361 4.350 0.000 0.000 0.195 373 E C 0.668 177.228 176.600 -0.067 0.000 1.010 373 E CA 0.862 57.224 56.400 -0.063 0.000 0.856 373 E CB 0.297 29.974 29.700 -0.038 0.000 0.795 373 E HN 0.621 nan 8.360 nan 0.000 0.504 374 G N 2.416 111.163 108.800 -0.088 0.000 2.256 374 G HA2 -0.303 3.657 3.960 0.000 0.000 0.272 374 G HA3 -0.303 3.657 3.960 0.000 0.000 0.272 374 G C -0.008 174.850 174.900 -0.071 0.000 1.076 374 G CA 0.956 46.004 45.100 -0.087 0.000 0.882 374 G HN 0.359 nan 8.290 nan 0.000 0.497 375 K N -1.502 118.857 120.400 -0.068 0.000 2.555 375 K HA 0.766 5.086 4.320 0.000 0.000 0.279 375 K C -0.414 176.142 176.600 -0.074 0.000 0.986 375 K CA -1.493 54.758 56.287 -0.060 0.000 0.880 375 K CB 1.514 33.988 32.500 -0.044 0.000 1.474 375 K HN 0.553 nan 8.250 nan 0.000 0.433 376 L N 2.121 123.297 121.223 -0.080 0.000 2.455 376 L HA 0.081 4.421 4.340 0.000 0.000 0.272 376 L C 0.112 176.906 176.870 -0.125 0.000 1.174 376 L CA 0.441 55.214 54.840 -0.112 0.000 0.869 376 L CB 1.244 43.242 42.059 -0.102 0.000 1.130 376 L HN 0.709 nan 8.230 nan 0.000 0.474 377 V N 4.506 124.297 119.914 -0.206 0.000 3.048 377 V HA 0.594 4.714 4.120 0.000 0.000 0.241 377 V C 0.544 176.474 176.094 -0.273 0.000 1.129 377 V CA 0.765 62.913 62.300 -0.253 0.000 1.128 377 V CB 0.294 31.863 31.823 -0.424 0.000 0.849 377 V HN 0.989 nan 8.190 nan 0.000 0.475 378 A N -0.436 122.195 122.820 -0.316 0.000 2.583 378 A HA 0.736 5.056 4.320 0.000 0.000 0.292 378 A C -1.738 175.733 177.584 -0.189 0.000 1.045 378 A CA -0.360 51.550 52.037 -0.212 0.000 0.672 378 A CB 1.143 20.027 19.000 -0.194 0.000 1.283 378 A HN 0.088 nan 8.150 nan 0.000 0.419 379 I N 1.514 122.020 120.570 -0.107 0.000 2.500 379 I HA 0.452 4.622 4.170 0.000 0.000 0.286 379 I C -1.003 175.091 176.117 -0.038 0.000 1.063 379 I CA -0.375 60.874 61.300 -0.086 0.000 1.062 379 I CB 1.972 39.930 38.000 -0.070 0.000 1.223 379 I HN 0.531 nan 8.210 nan 0.000 0.435 380 E N 4.466 124.649 120.200 -0.029 0.000 2.293 380 E HA 0.282 4.632 4.350 0.000 0.000 0.270 380 E C -1.313 175.295 176.600 0.014 0.000 0.879 380 E CA -0.687 55.714 56.400 0.002 0.000 0.756 380 E CB 2.864 32.575 29.700 0.019 0.000 1.208 380 E HN 0.447 nan 8.360 nan 0.000 0.428 381 D N 1.378 121.789 120.400 0.019 0.000 2.312 381 D HA 0.030 4.670 4.640 0.000 0.000 0.252 381 D C 0.949 177.274 176.300 0.041 0.000 1.150 381 D CA 0.098 54.116 54.000 0.029 0.000 0.870 381 D CB 1.148 41.960 40.800 0.020 0.000 1.153 381 D HN 0.431 nan 8.370 nan 0.000 0.457 382 T N 0.732 115.333 114.554 0.078 0.000 3.085 382 T HA 0.141 4.491 4.350 0.000 0.000 0.263 382 T C 1.497 176.222 174.700 0.042 0.000 1.127 382 T CA 0.746 62.910 62.100 0.107 0.000 1.103 382 T CB 0.032 69.063 68.868 0.272 0.000 0.921 382 T HN 0.650 nan 8.240 nan 0.000 0.510 383 G N 0.288 109.092 108.800 0.006 0.000 2.205 383 G HA2 -0.079 3.881 3.960 0.000 0.000 0.261 383 G HA3 -0.079 3.881 3.960 0.000 0.000 0.261 383 G C 0.430 175.253 174.900 -0.129 0.000 0.980 383 G CA 0.014 45.086 45.100 -0.046 0.000 0.632 383 G HN 1.089 nan 8.290 nan 0.000 0.533 384 G N -1.411 107.256 108.800 -0.223 0.000 2.705 384 G HA2 0.619 4.579 3.960 0.000 0.000 0.299 384 G HA3 0.619 4.579 3.960 0.000 0.000 0.299 384 G C -0.664 174.107 174.900 -0.215 0.000 1.315 384 G CA -0.397 44.376 45.100 -0.545 0.000 1.045 384 G HN 0.236 nan 8.290 nan 0.000 0.517 385 Q N 0.570 120.276 119.800 -0.156 0.000 2.333 385 Q HA 0.413 4.753 4.340 0.000 0.000 0.265 385 Q C -0.605 175.495 176.000 0.167 0.000 0.989 385 Q CA -0.292 55.526 55.803 0.025 0.000 0.842 385 Q CB 1.315 30.041 28.738 -0.020 0.000 1.262 385 Q HN 0.716 nan 8.270 nan 0.000 0.451 386 T N 2.427 117.065 114.554 0.140 0.000 3.318 386 T HA -0.095 4.255 4.350 0.000 0.000 0.428 386 T C -2.424 172.346 174.700 0.117 0.000 0.768 386 T CA -0.207 61.951 62.100 0.096 0.000 2.218 386 T CB -1.117 67.772 68.868 0.035 0.000 1.689 386 T HN 0.438 nan 8.240 nan 0.000 0.671 387 P HA 0.123 nan 4.420 nan 0.000 0.268 387 P C -0.252 177.013 177.300 -0.057 0.000 1.204 387 P CA 0.244 63.176 63.100 -0.280 0.000 0.768 387 P CB 0.565 32.130 31.700 -0.226 0.000 0.842 388 H N 5.342 124.298 119.070 -0.190 0.000 2.852 388 H HA 0.211 4.767 4.556 0.000 0.000 0.274 388 H C -2.277 172.977 175.328 -0.125 0.000 1.321 388 H CA -1.702 54.286 56.048 -0.100 0.000 1.582 388 H CB 1.635 31.321 29.762 -0.126 0.000 1.699 388 H HN 0.217 nan 8.280 nan 0.000 0.546 389 P HA 0.128 nan 4.420 nan 0.000 0.239 389 P C 1.016 178.330 177.300 0.023 0.000 1.188 389 P CA 1.377 64.433 63.100 -0.073 0.000 0.794 389 P CB 1.345 33.073 31.700 0.046 0.000 0.937 390 G N 1.922 110.674 108.800 -0.081 0.000 2.536 390 G HA2 -0.340 3.620 3.960 0.000 0.000 0.280 390 G HA3 -0.340 3.620 3.960 0.000 0.000 0.280 390 G C 0.922 175.910 174.900 0.146 0.000 1.152 390 G CA 0.315 45.548 45.100 0.222 0.000 0.970 390 G HN 0.281 nan 8.290 nan 0.000 0.549 391 R N 1.578 122.126 120.500 0.081 0.000 2.300 391 R HA 0.454 4.794 4.340 0.000 0.000 0.199 391 R C 1.355 177.762 176.300 0.178 0.000 0.920 391 R CA 1.205 57.260 56.100 -0.074 0.000 1.046 391 R CB 0.059 29.967 30.300 -0.653 0.000 0.984 391 R HN 2.067 nan 8.270 nan 0.000 0.493 392 G N 0.306 109.201 108.800 0.157 0.000 2.728 392 G HA2 -0.037 3.923 3.960 0.000 0.000 0.294 392 G HA3 -0.037 3.923 3.960 0.000 0.000 0.294 392 G C -1.111 173.776 174.900 -0.021 0.000 1.342 392 G CA -0.537 44.503 45.100 -0.100 0.000 0.866 392 G HN 0.336 nan 8.290 nan 0.000 0.534 393 A N 0.334 122.986 122.820 -0.279 0.000 2.411 393 A HA 0.728 5.048 4.320 0.000 0.000 0.285 393 A C -0.288 177.403 177.584 0.178 0.000 1.129 393 A CA -0.545 51.557 52.037 0.107 0.000 0.736 393 A CB 0.936 20.040 19.000 0.172 0.000 1.186 393 A HN 0.787 nan 8.150 nan 0.000 0.445 394 N N 1.995 120.890 118.700 0.325 0.000 2.438 394 N HA 0.775 5.515 4.740 0.000 0.000 0.282 394 N C -0.896 174.808 175.510 0.323 0.000 1.037 394 N CA 0.261 53.477 53.050 0.278 0.000 0.942 394 N CB 1.546 40.184 38.487 0.253 0.000 1.136 394 N HN 0.669 nan 8.380 nan 0.000 0.481 395 F N -2.052 117.973 119.950 0.126 0.000 2.741 395 F HA 0.493 5.020 4.527 0.000 0.000 0.313 395 F C -1.367 174.492 175.800 0.099 0.000 1.153 395 F CA -1.229 56.830 58.000 0.098 0.000 0.931 395 F CB 0.632 39.696 39.000 0.107 0.000 1.335 395 F HN -0.008 nan 8.300 nan 0.000 0.460 396 V N 2.512 122.584 119.914 0.264 0.000 2.348 396 V HA 0.214 4.334 4.120 0.000 0.000 0.270 396 V C -0.035 176.219 176.094 0.267 0.000 1.037 396 V CA -0.401 61.982 62.300 0.138 0.000 0.872 396 V CB 0.339 32.228 31.823 0.110 0.000 1.002 396 V HN 0.852 nan 8.190 nan 0.000 0.464 397 H N 8.155 127.276 119.070 0.085 0.000 2.722 397 H HA 0.185 4.741 4.556 0.000 0.000 0.328 397 H C -1.791 173.584 175.328 0.078 0.000 1.067 397 H CA -1.737 54.435 56.048 0.207 0.000 1.447 397 H CB 2.109 31.998 29.762 0.213 0.000 1.469 397 H HN 0.349 nan 8.280 nan 0.000 0.544 398 P HA -0.152 nan 4.420 nan 0.000 0.217 398 P C 1.121 178.440 177.300 0.032 0.000 1.148 398 P CA 2.266 65.334 63.100 -0.054 0.000 0.834 398 P CB 0.278 31.887 31.700 -0.150 0.000 0.783 399 T N -7.067 107.573 114.554 0.142 0.000 2.955 399 T HA 0.166 4.516 4.350 0.000 0.000 0.251 399 T C 1.245 175.877 174.700 -0.113 0.000 1.002 399 T CA -0.041 62.028 62.100 -0.053 0.000 0.970 399 T CB -0.643 68.082 68.868 -0.238 0.000 1.091 399 T HN -0.145 nan 8.240 nan 0.000 0.495 400 F N 2.540 122.560 119.950 0.117 0.000 2.530 400 F HA 0.570 5.097 4.527 0.000 0.000 0.292 400 F C 1.915 177.510 175.800 -0.342 0.000 1.109 400 F CA 0.101 57.997 58.000 -0.174 0.000 1.450 400 F CB -0.398 38.359 39.000 -0.405 0.000 1.114 400 F HN 0.595 nan 8.300 nan 0.000 0.560 401 G N -0.284 108.450 108.800 -0.109 0.000 2.500 401 G HA2 -0.139 3.821 3.960 0.000 0.000 0.209 401 G HA3 -0.139 3.821 3.960 0.000 0.000 0.209 401 G C -2.902 171.850 174.900 -0.246 0.000 1.283 401 G CA -1.320 43.518 45.100 -0.437 0.000 0.960 401 G HN -0.090 nan 8.290 nan 0.000 0.528 402 P HA 0.415 nan 4.420 nan 0.000 0.263 402 P C 0.134 177.302 177.300 -0.220 0.000 1.195 402 P CA 0.547 63.546 63.100 -0.168 0.000 0.762 402 P CB 0.993 32.636 31.700 -0.095 0.000 0.799 403 V N 1.034 120.785 119.914 -0.271 0.000 3.078 403 V HA 0.708 4.828 4.120 0.000 0.000 0.311 403 V C -1.730 174.278 176.094 -0.144 0.000 1.138 403 V CA -1.227 60.917 62.300 -0.259 0.000 1.007 403 V CB 2.356 33.956 31.823 -0.372 0.000 1.045 403 V HN 0.544 nan 8.190 nan 0.000 0.432 404 W N 2.603 123.810 121.300 -0.155 0.000 2.587 404 W HA 0.863 5.523 4.660 0.000 0.000 0.324 404 W C -0.220 176.309 176.519 0.017 0.000 1.040 404 W CA -0.074 57.265 57.345 -0.010 0.000 1.222 404 W CB 1.657 31.160 29.460 0.073 0.000 1.381 404 W HN 1.065 nan 8.180 nan 0.000 0.483 405 A N 3.608 126.186 122.820 -0.403 0.000 2.322 405 A HA 0.848 5.168 4.320 0.000 0.000 0.327 405 A C -0.865 176.216 177.584 -0.838 0.000 1.134 405 A CA -0.547 51.261 52.037 -0.382 0.000 0.831 405 A CB 1.900 20.897 19.000 -0.005 0.000 1.288 405 A HN 0.529 nan 8.150 nan 0.000 0.472 406 T N -0.427 113.823 114.554 -0.506 0.000 2.923 406 T HA 0.615 4.965 4.350 0.000 0.000 0.311 406 T C -0.141 174.402 174.700 -0.261 0.000 1.183 406 T CA 0.180 62.010 62.100 -0.450 0.000 1.020 406 T CB 1.090 69.705 68.868 -0.422 0.000 1.165 406 T HN 1.481 nan 8.240 nan 0.000 0.482 407 S N 2.545 118.129 115.700 -0.194 0.000 2.768 407 S HA 0.833 5.303 4.470 0.000 0.000 0.300 407 S C -0.841 173.650 174.600 -0.181 0.000 1.122 407 S CA -0.596 57.563 58.200 -0.069 0.000 0.995 407 S CB 0.828 64.034 63.200 0.010 0.000 1.195 407 S HN 0.835 nan 8.310 nan 0.000 0.547 408 H N -1.259 117.798 119.070 -0.022 0.000 2.865 408 H HA 0.512 5.068 4.556 0.000 0.000 0.372 408 H C 0.397 175.713 175.328 -0.020 0.000 1.173 408 H CA -0.778 55.265 56.048 -0.008 0.000 1.147 408 H CB 1.396 31.146 29.762 -0.020 0.000 1.805 408 H HN 0.491 nan 8.280 nan 0.000 0.553 409 M N 0.317 119.974 119.600 0.094 0.000 2.357 409 M HA 0.107 4.587 4.480 0.000 0.000 0.266 409 M C 1.777 178.092 176.300 0.024 0.000 1.095 409 M CA 1.282 56.588 55.300 0.009 0.000 1.156 409 M CB 0.312 32.888 32.600 -0.040 0.000 1.365 409 M HN 0.836 nan 8.290 nan 0.000 0.447 410 G N 0.639 109.469 108.800 0.051 0.000 2.985 410 G HA2 0.061 4.021 3.960 0.000 0.000 0.209 410 G HA3 0.061 4.021 3.960 0.000 0.000 0.209 410 G C -0.418 174.484 174.900 0.003 0.000 1.165 410 G CA 0.201 45.312 45.100 0.019 0.000 0.776 410 G HN 0.554 nan 8.290 nan 0.000 0.541 411 D N -2.168 118.240 120.400 0.013 0.000 2.764 411 D HA 0.106 4.747 4.640 0.000 0.000 0.293 411 D C -0.273 176.029 176.300 0.004 0.000 1.287 411 D CA -0.455 53.535 54.000 -0.018 0.000 0.768 411 D CB 0.028 40.783 40.800 -0.075 0.000 1.288 411 D HN -0.051 nan 8.370 nan 0.000 0.426 412 D N -0.841 119.558 120.400 -0.001 0.000 2.328 412 D HA 0.086 4.726 4.640 0.000 0.000 0.226 412 D C 0.170 176.482 176.300 0.020 0.000 1.066 412 D CA -0.042 53.971 54.000 0.022 0.000 0.861 412 D CB -0.440 40.384 40.800 0.040 0.000 0.912 412 D HN 0.423 nan 8.370 nan 0.000 0.521 413 S N -0.437 115.239 115.700 -0.039 0.000 2.580 413 S HA 0.440 4.910 4.470 0.000 0.000 0.274 413 S C -0.043 174.543 174.600 -0.024 0.000 1.329 413 S CA -0.794 57.354 58.200 -0.086 0.000 1.036 413 S CB 1.694 64.761 63.200 -0.222 0.000 0.919 413 S HN -0.023 nan 8.310 nan 0.000 0.515 414 V N 2.215 121.984 119.914 -0.242 0.000 2.495 414 V HA 0.783 4.903 4.120 0.000 0.000 0.298 414 V C 0.328 176.146 176.094 -0.460 0.000 1.031 414 V CA -0.410 61.659 62.300 -0.384 0.000 0.871 414 V CB 1.184 32.537 31.823 -0.783 0.000 0.988 414 V HN 1.232 nan 8.190 nan 0.000 0.432 415 A N 5.809 128.505 122.820 -0.205 0.000 2.355 415 A HA 0.958 5.278 4.320 0.000 0.000 0.324 415 A C -1.131 176.392 177.584 -0.102 0.000 1.117 415 A CA -0.623 51.339 52.037 -0.124 0.000 0.785 415 A CB 1.267 20.303 19.000 0.061 0.000 1.254 415 A HN 0.765 nan 8.150 nan 0.000 0.453 416 L N 2.310 123.493 121.223 -0.067 0.000 2.362 416 L HA 0.600 4.940 4.340 0.000 0.000 0.275 416 L C -0.723 176.119 176.870 -0.048 0.000 0.998 416 L CA -0.340 54.480 54.840 -0.033 0.000 0.820 416 L CB 1.771 43.820 42.059 -0.016 0.000 1.270 416 L HN 0.726 nan 8.230 nan 0.000 0.415 417 I N 1.179 121.774 120.570 0.041 0.000 2.474 417 I HA 0.580 4.750 4.170 0.000 0.000 0.294 417 I C 0.524 176.601 176.117 -0.067 0.000 1.005 417 I CA -0.345 60.976 61.300 0.034 0.000 1.113 417 I CB 1.907 40.022 38.000 0.192 0.000 1.289 417 I HN 0.664 nan 8.210 nan 0.000 0.436 418 G N 3.073 111.754 108.800 -0.197 0.000 2.378 418 G HA2 0.327 4.287 3.960 0.000 0.000 0.255 418 G HA3 0.327 4.287 3.960 0.000 0.000 0.255 418 G C 0.402 174.977 174.900 -0.543 0.000 1.270 418 G CA 0.096 44.992 45.100 -0.341 0.000 0.876 418 G HN 0.725 nan 8.290 nan 0.000 0.521 419 T N -1.028 113.226 114.554 -0.499 0.000 3.296 419 T HA 0.244 4.594 4.350 0.000 0.000 0.285 419 T C -0.186 174.167 174.700 -0.577 0.000 1.014 419 T CA -0.423 61.277 62.100 -0.667 0.000 0.920 419 T CB 0.503 69.314 68.868 -0.095 0.000 1.143 419 T HN 0.387 nan 8.240 nan 0.000 0.522 420 D N 1.485 121.560 120.400 -0.542 0.000 2.378 420 D HA 0.392 5.032 4.640 0.000 0.000 0.265 420 D C -2.088 174.049 176.300 -0.272 0.000 1.229 420 D CA -2.367 51.480 54.000 -0.255 0.000 0.914 420 D CB 1.916 42.708 40.800 -0.014 0.000 1.140 420 D HN -0.038 nan 8.370 nan 0.000 0.516 421 P HA -0.080 nan 4.420 nan 0.000 0.222 421 P C 1.001 178.259 177.300 -0.069 0.000 1.147 421 P CA 0.706 63.671 63.100 -0.225 0.000 0.790 421 P CB 0.598 32.241 31.700 -0.096 0.000 0.780 422 E N -0.200 119.990 120.200 -0.017 0.000 2.060 422 E HA 0.007 4.357 4.350 0.000 0.000 0.189 422 E C 2.020 178.599 176.600 -0.034 0.000 0.974 422 E CA 1.515 57.917 56.400 0.003 0.000 0.808 422 E CB -1.087 28.637 29.700 0.041 0.000 0.768 422 E HN 0.137 nan 8.360 nan 0.000 0.453 423 G N -1.866 106.905 108.800 -0.049 0.000 3.126 423 G HA2 0.010 3.970 3.960 0.000 0.000 0.224 423 G HA3 0.010 3.970 3.960 0.000 0.000 0.224 423 G C 0.122 174.777 174.900 -0.408 0.000 1.142 423 G CA -0.138 44.854 45.100 -0.181 0.000 0.759 423 G HN 0.212 nan 8.290 nan 0.000 0.550 424 H N 0.025 119.047 119.070 -0.080 0.000 2.947 424 H HA 0.127 4.683 4.556 0.000 0.000 0.222 424 H C -1.836 173.409 175.328 -0.138 0.000 1.414 424 H CA -0.789 55.204 56.048 -0.091 0.000 1.224 424 H CB 1.643 31.345 29.762 -0.100 0.000 2.100 424 H HN 0.169 nan 8.280 nan 0.000 0.524 425 P HA -0.174 nan 4.420 nan 0.000 0.217 425 P C 1.149 178.404 177.300 -0.075 0.000 1.148 425 P CA 1.340 64.395 63.100 -0.075 0.000 0.828 425 P CB 0.557 32.229 31.700 -0.047 0.000 0.783 426 D N -1.388 118.989 120.400 -0.039 0.000 2.317 426 D HA -0.068 4.572 4.640 0.000 0.000 0.211 426 D C 1.426 177.692 176.300 -0.056 0.000 0.966 426 D CA 0.612 54.592 54.000 -0.033 0.000 0.876 426 D CB -0.263 40.533 40.800 -0.006 0.000 0.927 426 D HN -0.051 nan 8.370 nan 0.000 0.519 427 N N -0.196 118.456 118.700 -0.080 0.000 2.322 427 N HA 0.202 4.942 4.740 0.000 0.000 0.181 427 N C -0.153 175.198 175.510 -0.264 0.000 1.088 427 N CA 0.089 53.053 53.050 -0.143 0.000 0.885 427 N CB 0.304 38.722 38.487 -0.116 0.000 1.013 427 N HN 0.062 nan 8.380 nan 0.000 0.472 428 A N 0.330 122.936 122.820 -0.357 0.000 2.520 428 A HA 0.133 4.453 4.320 0.000 0.000 0.245 428 A C -0.117 177.126 177.584 -0.568 0.000 1.072 428 A CA -0.088 51.506 52.037 -0.738 0.000 0.761 428 A CB -0.723 17.743 19.000 -0.890 0.000 1.004 428 A HN 0.515 nan 8.150 nan 0.000 0.499 429 W N 0.265 121.467 121.300 -0.163 0.000 5.121 429 W HA -0.218 4.442 4.660 0.000 0.000 0.372 429 W C 0.290 176.738 176.519 -0.118 0.000 1.394 429 W CA 0.800 58.052 57.345 -0.154 0.000 0.885 429 W CB -1.525 27.835 29.460 -0.166 0.000 2.520 429 W HN 0.690 nan 8.180 nan 0.000 1.455 430 K N 0.233 120.636 120.400 0.005 0.000 2.426 430 K HA 0.486 4.806 4.320 0.000 0.000 0.251 430 K C 0.079 176.632 176.600 -0.079 0.000 0.941 430 K CA -1.287 54.980 56.287 -0.033 0.000 0.808 430 K CB 1.634 34.089 32.500 -0.075 0.000 1.265 430 K HN -0.234 nan 8.250 nan 0.000 0.432 431 I N 4.724 125.255 120.570 -0.065 0.000 2.421 431 I HA 0.003 4.173 4.170 0.000 0.000 0.291 431 I C 1.058 177.063 176.117 -0.187 0.000 1.089 431 I CA 0.441 61.688 61.300 -0.090 0.000 1.354 431 I CB -0.069 37.907 38.000 -0.041 0.000 1.413 431 I HN 0.636 nan 8.210 nan 0.000 0.513 432 L N 3.841 124.866 121.223 -0.331 0.000 2.307 432 L HA 0.150 4.490 4.340 0.000 0.000 0.211 432 L C 0.527 177.101 176.870 -0.493 0.000 1.099 432 L CA 0.747 55.210 54.840 -0.629 0.000 0.816 432 L CB -0.080 41.225 42.059 -1.257 0.000 0.952 432 L HN 0.561 nan 8.230 nan 0.000 0.455 433 D N -1.597 118.662 120.400 -0.235 0.000 2.615 433 D HA 0.412 5.052 4.640 0.000 0.000 0.267 433 D C -1.459 174.848 176.300 0.011 0.000 1.236 433 D CA -0.237 53.773 54.000 0.017 0.000 0.839 433 D CB 2.316 43.273 40.800 0.261 0.000 1.380 433 D HN -0.238 nan 8.370 nan 0.000 0.433 434 S N 1.092 116.836 115.700 0.074 0.000 2.616 434 S HA 0.651 5.121 4.470 0.000 0.000 0.276 434 S C -1.829 172.805 174.600 0.056 0.000 1.159 434 S CA -0.739 57.415 58.200 -0.076 0.000 1.000 434 S CB -0.280 62.890 63.200 -0.050 0.000 1.117 434 S HN 0.373 nan 8.310 nan 0.000 0.464 435 F N 2.423 122.394 119.950 0.035 0.000 2.631 435 F HA 0.875 5.402 4.527 0.000 0.000 0.308 435 F C -3.020 172.832 175.800 0.087 0.000 1.097 435 F CA -2.327 55.714 58.000 0.069 0.000 0.952 435 F CB 0.805 39.858 39.000 0.089 0.000 1.307 435 F HN 0.275 nan 8.300 nan 0.000 0.450 436 P HA 0.502 nan 4.420 nan 0.000 0.278 436 P C -0.994 176.568 177.300 0.437 0.000 1.238 436 P CA 0.088 63.368 63.100 0.300 0.000 0.794 436 P CB 1.912 33.766 31.700 0.256 0.000 0.955 437 A N 2.301 125.243 122.820 0.202 0.000 3.837 437 A HA 0.438 4.758 4.320 0.000 0.000 0.167 437 A C 1.657 179.056 177.584 -0.308 0.000 0.997 437 A CA -0.528 51.453 52.037 -0.094 0.000 0.865 437 A CB -0.569 18.476 19.000 0.074 0.000 1.484 437 A HN 0.432 nan 8.150 nan 0.000 0.688 438 L N -0.384 120.614 121.223 -0.375 0.000 1.970 438 L HA 0.159 4.499 4.340 0.000 0.000 0.212 438 L C 1.383 178.238 176.870 -0.024 0.000 1.071 438 L CA 1.700 56.440 54.840 -0.167 0.000 0.751 438 L CB -0.508 41.470 42.059 -0.135 0.000 0.889 438 L HN 0.938 nan 8.230 nan 0.000 0.432 439 G N -2.565 106.225 108.800 -0.017 0.000 2.340 439 G HA2 0.389 4.349 3.960 0.000 0.000 0.299 439 G HA3 0.389 4.349 3.960 0.000 0.000 0.299 439 G C -0.739 174.168 174.900 0.010 0.000 1.291 439 G CA -0.377 44.729 45.100 0.010 0.000 0.841 439 G HN 0.246 nan 8.290 nan 0.000 0.500 440 G N -1.683 107.123 108.800 0.010 0.000 2.631 440 G HA2 0.530 4.490 3.960 0.000 0.000 0.271 440 G HA3 0.530 4.490 3.960 0.000 0.000 0.271 440 G C 1.337 176.240 174.900 0.005 0.000 1.302 440 G CA 1.093 46.199 45.100 0.011 0.000 1.002 440 G HN 2.351 nan 8.290 nan 0.000 0.519 441 G N -1.825 106.975 108.800 -0.001 0.000 2.176 441 G HA2 -0.147 3.813 3.960 0.000 0.000 0.252 441 G HA3 -0.147 3.813 3.960 0.000 0.000 0.252 441 G C 0.518 175.406 174.900 -0.020 0.000 1.024 441 G CA 0.789 45.880 45.100 -0.016 0.000 0.755 441 G HN 1.279 nan 8.290 nan 0.000 0.507 442 S N -1.156 114.536 115.700 -0.013 0.000 2.562 442 S HA 0.712 5.182 4.470 0.000 0.000 0.275 442 S C 1.452 175.996 174.600 -0.094 0.000 1.281 442 S CA -0.344 57.850 58.200 -0.009 0.000 1.045 442 S CB 1.057 64.275 63.200 0.030 0.000 0.962 442 S HN 0.386 nan 8.310 nan 0.000 0.503 443 L N 2.616 123.765 121.223 -0.123 0.000 2.624 443 L HA 0.468 4.808 4.340 0.000 0.000 0.222 443 L C -0.857 175.718 176.870 -0.491 0.000 1.046 443 L CA 0.163 54.744 54.840 -0.433 0.000 0.872 443 L CB 0.301 42.017 42.059 -0.572 0.000 1.190 443 L HN 0.516 nan 8.230 nan 0.000 0.487 444 F N -0.130 119.934 119.950 0.191 0.000 2.569 444 F HA 0.500 5.027 4.527 0.000 0.000 0.312 444 F C -0.445 175.453 175.800 0.164 0.000 1.109 444 F CA -0.667 57.439 58.000 0.177 0.000 0.919 444 F CB 2.267 41.360 39.000 0.156 0.000 1.211 444 F HN -0.296 nan 8.300 nan 0.000 0.446 445 I N 3.029 123.785 120.570 0.310 0.000 2.530 445 I HA 0.654 4.824 4.170 0.000 0.000 0.297 445 I C -1.210 175.074 176.117 0.278 0.000 1.011 445 I CA -0.635 60.815 61.300 0.249 0.000 1.107 445 I CB 1.597 39.662 38.000 0.108 0.000 1.285 445 I HN 0.600 nan 8.210 nan 0.000 0.436 446 K N 3.716 124.331 120.400 0.359 0.000 2.551 446 K HA 0.671 4.991 4.320 0.000 0.000 0.269 446 K C -1.155 175.792 176.600 0.578 0.000 0.949 446 K CA -0.425 56.104 56.287 0.404 0.000 0.849 446 K CB 2.180 34.870 32.500 0.317 0.000 1.411 446 K HN 0.651 nan 8.250 nan 0.000 0.432 447 T N 0.252 115.137 114.554 0.552 0.000 2.671 447 T HA 0.482 4.832 4.350 0.000 0.000 0.300 447 T C -2.202 172.558 174.700 0.099 0.000 1.238 447 T CA -0.429 61.964 62.100 0.487 0.000 1.020 447 T CB 0.711 69.775 68.868 0.327 0.000 1.503 447 T HN 0.580 nan 8.240 nan 0.000 0.497 448 H N -0.017 118.869 119.070 -0.306 0.000 3.079 448 H HA 0.345 4.901 4.556 0.000 0.000 0.356 448 H C -2.455 172.754 175.328 -0.200 0.000 1.221 448 H CA -1.319 54.448 56.048 -0.469 0.000 1.185 448 H CB 2.295 31.295 29.762 -1.269 0.000 1.882 448 H HN 0.327 nan 8.280 nan 0.000 0.543 449 P HA -0.120 nan 4.420 nan 0.000 0.216 449 P C 0.593 177.976 177.300 0.137 0.000 1.150 449 P CA 1.212 64.292 63.100 -0.033 0.000 0.843 449 P CB 0.372 31.989 31.700 -0.138 0.000 0.787 450 N N -1.209 117.712 118.700 0.368 0.000 2.370 450 N HA 0.037 4.777 4.740 0.000 0.000 0.198 450 N C 0.335 175.899 175.510 0.090 0.000 1.156 450 N CA 0.399 53.550 53.050 0.168 0.000 0.839 450 N CB -0.064 38.490 38.487 0.112 0.000 0.989 450 N HN 0.106 nan 8.380 nan 0.000 0.468 451 S N 0.199 115.950 115.700 0.085 0.000 2.600 451 S HA 0.273 4.743 4.470 0.000 0.000 0.300 451 S C 0.470 175.066 174.600 -0.007 0.000 1.087 451 S CA -0.667 57.586 58.200 0.088 0.000 0.965 451 S CB 1.511 64.865 63.200 0.256 0.000 1.089 451 S HN 0.275 nan 8.310 nan 0.000 0.496 452 Q N 1.385 121.064 119.800 -0.202 0.000 2.194 452 Q HA 0.269 4.609 4.340 0.000 0.000 0.214 452 Q C -1.115 174.663 176.000 -0.370 0.000 0.838 452 Q CA -0.246 55.366 55.803 -0.319 0.000 0.972 452 Q CB 0.040 28.517 28.738 -0.434 0.000 1.131 452 Q HN 0.603 nan 8.270 nan 0.000 0.498 453 Y N 0.837 121.187 120.300 0.083 0.000 2.387 453 Y HA 0.504 5.054 4.550 0.000 0.000 0.336 453 Y C -0.657 175.255 175.900 0.020 0.000 1.067 453 Y CA -1.929 56.163 58.100 -0.013 0.000 1.114 453 Y CB 1.603 39.996 38.460 -0.111 0.000 1.208 453 Y HN 0.063 nan 8.280 nan 0.000 0.458 454 L N 4.310 125.609 121.223 0.128 0.000 2.298 454 L HA 0.511 4.851 4.340 0.000 0.000 0.284 454 L C -1.781 175.237 176.870 0.248 0.000 1.013 454 L CA -0.858 54.096 54.840 0.190 0.000 0.824 454 L CB 0.008 42.095 42.059 0.047 0.000 1.221 454 L HN 0.415 nan 8.230 nan 0.000 0.418 455 Y N 4.211 124.735 120.300 0.373 0.000 2.330 455 Y HA 0.657 5.207 4.550 0.000 0.000 0.336 455 Y C -0.089 176.015 175.900 0.339 0.000 1.036 455 Y CA -0.845 57.477 58.100 0.369 0.000 1.125 455 Y CB 1.651 40.390 38.460 0.466 0.000 1.194 455 Y HN 0.262 nan 8.280 nan 0.000 0.469 456 V N 3.821 123.981 119.914 0.409 0.000 2.577 456 V HA 0.287 4.407 4.120 0.000 0.000 0.303 456 V C -0.685 175.536 176.094 0.213 0.000 1.042 456 V CA -1.059 61.422 62.300 0.302 0.000 0.872 456 V CB 1.623 33.602 31.823 0.261 0.000 0.998 456 V HN 0.820 nan 8.190 nan 0.000 0.423 457 D N 3.778 124.322 120.400 0.241 0.000 2.466 457 D HA 0.722 5.362 4.640 0.000 0.000 0.262 457 D C 0.177 176.534 176.300 0.096 0.000 1.177 457 D CA -0.597 53.507 54.000 0.173 0.000 1.035 457 D CB 1.818 42.785 40.800 0.279 0.000 1.105 457 D HN 0.704 nan 8.370 nan 0.000 0.551 458 A N -0.436 122.422 122.820 0.064 0.000 3.106 458 A HA 0.321 4.641 4.320 0.000 0.000 0.227 458 A C 1.032 178.639 177.584 0.038 0.000 0.920 458 A CA -0.464 51.592 52.037 0.031 0.000 1.088 458 A CB -0.586 18.412 19.000 -0.004 0.000 1.233 458 A HN 0.455 nan 8.150 nan 0.000 0.503 459 T N 0.776 115.379 114.554 0.081 0.000 2.620 459 T HA -0.205 4.145 4.350 0.000 0.000 0.267 459 T C 1.424 176.159 174.700 0.057 0.000 1.044 459 T CA 1.998 64.163 62.100 0.110 0.000 1.161 459 T CB -0.308 68.680 68.868 0.199 0.000 0.862 459 T HN 0.484 nan 8.240 nan 0.000 0.438 460 L N 0.946 122.185 121.223 0.028 0.000 2.629 460 L HA 0.206 4.546 4.340 0.000 0.000 0.230 460 L C 1.041 177.903 176.870 -0.012 0.000 1.151 460 L CA -0.365 54.475 54.840 0.000 0.000 0.924 460 L CB -0.461 41.592 42.059 -0.010 0.000 1.137 460 L HN 0.250 nan 8.230 nan 0.000 0.457 461 N N 1.581 120.276 118.700 -0.009 0.000 2.518 461 N HA 0.044 4.784 4.740 0.000 0.000 0.266 461 N C -1.611 173.887 175.510 -0.020 0.000 1.196 461 N CA -1.049 51.993 53.050 -0.013 0.000 0.947 461 N CB 1.787 40.268 38.487 -0.010 0.000 1.098 461 N HN -0.136 nan 8.380 nan 0.000 0.450 462 P HA -0.059 nan 4.420 nan 0.000 0.216 462 P C -0.497 176.788 177.300 -0.024 0.000 1.153 462 P CA 1.234 64.321 63.100 -0.022 0.000 0.848 462 P CB 0.158 31.848 31.700 -0.017 0.000 0.787 463 E N -0.510 119.678 120.200 -0.021 0.000 2.257 463 E HA 0.266 4.616 4.350 0.000 0.000 0.278 463 E C 1.078 177.660 176.600 -0.030 0.000 1.049 463 E CA -0.256 56.130 56.400 -0.023 0.000 0.876 463 E CB 0.662 30.352 29.700 -0.018 0.000 1.035 463 E HN 0.032 nan 8.360 nan 0.000 0.419 464 A N 3.758 126.557 122.820 -0.035 0.000 2.019 464 A HA -0.234 4.086 4.320 0.000 0.000 0.219 464 A C 1.988 179.545 177.584 -0.046 0.000 1.164 464 A CA 1.440 53.452 52.037 -0.042 0.000 0.644 464 A CB -0.224 18.750 19.000 -0.043 0.000 0.805 464 A HN 0.645 nan 8.150 nan 0.000 0.449 465 E N 0.471 120.645 120.200 -0.042 0.000 2.097 465 E HA -0.182 4.168 4.350 0.000 0.000 0.196 465 E C 1.656 178.223 176.600 -0.055 0.000 1.000 465 E CA 1.837 58.207 56.400 -0.049 0.000 0.804 465 E CB -0.304 29.373 29.700 -0.037 0.000 0.740 465 E HN 0.683 nan 8.360 nan 0.000 0.454 466 I N -0.086 120.458 120.570 -0.042 0.000 2.339 466 I HA -0.163 4.007 4.170 0.000 0.000 0.245 466 I C 2.313 178.403 176.117 -0.046 0.000 1.096 466 I CA 1.013 62.288 61.300 -0.041 0.000 1.408 466 I CB -0.433 37.553 38.000 -0.023 0.000 1.092 466 I HN 0.146 nan 8.210 nan 0.000 0.423 467 S N 0.895 116.573 115.700 -0.035 0.000 2.469 467 S HA -0.082 4.388 4.470 0.000 0.000 0.238 467 S C 1.809 176.391 174.600 -0.030 0.000 0.998 467 S CA 1.101 59.287 58.200 -0.023 0.000 0.957 467 S CB -0.728 62.459 63.200 -0.023 0.000 0.764 467 S HN 0.489 nan 8.310 nan 0.000 0.514 468 G N -0.169 108.595 108.800 -0.059 0.000 3.088 468 G HA2 0.464 4.424 3.960 0.000 0.000 0.217 468 G HA3 0.464 4.424 3.960 0.000 0.000 0.217 468 G C 0.099 174.913 174.900 -0.143 0.000 1.159 468 G CA -0.243 44.809 45.100 -0.080 0.000 0.760 468 G HN 0.472 nan 8.290 nan 0.000 0.550 469 S N -1.318 114.293 115.700 -0.148 0.000 2.677 469 S HA 0.746 5.216 4.470 0.000 0.000 0.304 469 S C -0.906 173.563 174.600 -0.218 0.000 1.108 469 S CA -0.478 57.594 58.200 -0.214 0.000 0.944 469 S CB 2.569 65.665 63.200 -0.173 0.000 1.127 469 S HN -0.046 nan 8.310 nan 0.000 0.511 470 V N 1.055 120.802 119.914 -0.278 0.000 2.789 470 V HA 0.772 4.892 4.120 0.000 0.000 0.311 470 V C -0.268 175.721 176.094 -0.176 0.000 1.073 470 V CA -0.818 61.337 62.300 -0.241 0.000 0.921 470 V CB 1.777 33.328 31.823 -0.454 0.000 1.009 470 V HN 1.009 nan 8.190 nan 0.000 0.426 471 A N 3.688 126.417 122.820 -0.153 0.000 2.310 471 A HA 0.855 5.175 4.320 0.000 0.000 0.299 471 A C -0.783 176.694 177.584 -0.179 0.000 1.147 471 A CA -0.443 51.423 52.037 -0.285 0.000 0.818 471 A CB 1.151 19.784 19.000 -0.612 0.000 1.096 471 A HN 0.843 nan 8.150 nan 0.000 0.495 472 V N 2.446 122.188 119.914 -0.287 0.000 2.524 472 V HA 0.432 4.553 4.120 0.000 0.000 0.297 472 V C -1.233 174.693 176.094 -0.280 0.000 1.035 472 V CA -0.288 61.834 62.300 -0.296 0.000 0.867 472 V CB 0.819 32.386 31.823 -0.426 0.000 1.004 472 V HN 0.711 nan 8.190 nan 0.000 0.426 473 F N 1.775 121.717 119.950 -0.013 0.000 2.422 473 F HA 0.496 5.023 4.527 0.000 0.000 0.333 473 F C 0.542 176.394 175.800 0.087 0.000 1.095 473 F CA -0.758 57.269 58.000 0.045 0.000 1.038 473 F CB 1.173 40.195 39.000 0.038 0.000 1.156 473 F HN 0.413 nan 8.300 nan 0.000 0.483 474 D N 3.046 123.609 120.400 0.271 0.000 2.365 474 D HA 0.206 4.846 4.640 0.000 0.000 0.237 474 D C 1.166 177.499 176.300 0.056 0.000 1.190 474 D CA 0.212 54.358 54.000 0.242 0.000 0.867 474 D CB 0.663 41.583 40.800 0.200 0.000 1.050 474 D HN 0.508 nan 8.370 nan 0.000 0.491 475 I N 3.317 123.856 120.570 -0.051 0.000 2.226 475 I HA -0.269 3.901 4.170 0.000 0.000 0.245 475 I C 2.225 178.269 176.117 -0.122 0.000 1.100 475 I CA 0.959 62.166 61.300 -0.155 0.000 1.374 475 I CB 0.026 37.871 38.000 -0.258 0.000 1.057 475 I HN 0.318 nan 8.210 nan 0.000 0.413 476 K N 0.711 121.051 120.400 -0.099 0.000 2.280 476 K HA -0.101 4.219 4.320 0.000 0.000 0.202 476 K C 1.974 178.528 176.600 -0.076 0.000 1.047 476 K CA 1.275 57.512 56.287 -0.083 0.000 0.942 476 K CB -0.141 32.316 32.500 -0.071 0.000 0.739 476 K HN 0.334 nan 8.250 nan 0.000 0.457 477 A N 0.678 123.464 122.820 -0.056 0.000 2.178 477 A HA 0.089 4.409 4.320 0.000 0.000 0.211 477 A C 0.817 178.359 177.584 -0.069 0.000 1.157 477 A CA 0.045 52.057 52.037 -0.042 0.000 0.780 477 A CB -0.185 18.811 19.000 -0.006 0.000 0.828 477 A HN 0.136 nan 8.150 nan 0.000 0.476 478 M N 0.498 120.024 119.600 -0.124 0.000 2.249 478 M HA 0.099 4.579 4.480 0.000 0.000 0.340 478 M C 1.283 177.491 176.300 -0.153 0.000 1.166 478 M CA 1.001 56.208 55.300 -0.155 0.000 1.115 478 M CB 0.529 32.964 32.600 -0.276 0.000 1.606 478 M HN 0.407 nan 8.290 nan 0.000 0.448 479 T N -2.895 111.641 114.554 -0.030 0.000 2.986 479 T HA 0.267 4.617 4.350 0.000 0.000 0.264 479 T C 1.080 175.769 174.700 -0.019 0.000 0.964 479 T CA 0.285 62.371 62.100 -0.024 0.000 0.895 479 T CB 0.165 69.021 68.868 -0.020 0.000 1.163 479 T HN 1.019 nan 8.240 nan 0.000 0.517 480 G N 3.370 112.220 108.800 0.082 0.000 2.371 480 G HA2 -0.234 3.726 3.960 0.000 0.000 0.299 480 G HA3 -0.234 3.726 3.960 0.000 0.000 0.299 480 G C 0.166 175.109 174.900 0.072 0.000 1.014 480 G CA 0.627 45.753 45.100 0.044 0.000 1.097 480 G HN 0.817 nan 8.290 nan 0.000 0.512 481 D N -2.120 118.331 120.400 0.086 0.000 2.407 481 D HA 0.410 5.050 4.640 0.000 0.000 0.208 481 D C 1.782 178.139 176.300 0.096 0.000 1.083 481 D CA 0.803 54.847 54.000 0.072 0.000 0.844 481 D CB 0.068 40.892 40.800 0.040 0.000 0.967 481 D HN 1.394 nan 8.370 nan 0.000 0.506 482 G N 0.341 109.218 108.800 0.128 0.000 2.436 482 G HA2 -0.233 3.727 3.960 0.000 0.000 0.204 482 G HA3 -0.233 3.727 3.960 0.000 0.000 0.204 482 G C 0.501 175.470 174.900 0.115 0.000 1.026 482 G CA 0.025 45.199 45.100 0.123 0.000 0.658 482 G HN 0.792 nan 8.290 nan 0.000 0.499 483 S N 1.404 117.157 115.700 0.088 0.000 2.576 483 S HA 0.447 4.917 4.470 0.000 0.000 0.272 483 S C -0.412 174.241 174.600 0.089 0.000 1.352 483 S CA 0.228 58.474 58.200 0.077 0.000 1.021 483 S CB 1.143 64.373 63.200 0.050 0.000 0.887 483 S HN 0.304 nan 8.310 nan 0.000 0.542 484 D N 2.958 123.416 120.400 0.097 0.000 2.277 484 D HA 0.364 5.005 4.640 0.000 0.000 0.249 484 D C -2.155 174.174 176.300 0.047 0.000 1.134 484 D CA -1.190 52.880 54.000 0.117 0.000 0.863 484 D CB 0.497 41.416 40.800 0.199 0.000 1.143 484 D HN 0.405 nan 8.370 nan 0.000 0.458 485 P HA 0.022 nan 4.420 nan 0.000 0.265 485 P C 0.165 177.560 177.300 0.159 0.000 1.193 485 P CA -0.075 63.000 63.100 -0.042 0.000 0.765 485 P CB 0.621 32.161 31.700 -0.266 0.000 0.823 486 E N 2.662 122.904 120.200 0.071 0.000 2.345 486 E HA 0.523 4.873 4.350 0.000 0.000 0.259 486 E C -0.723 175.826 176.600 -0.086 0.000 1.117 486 E CA -0.689 55.682 56.400 -0.049 0.000 0.913 486 E CB 0.554 30.170 29.700 -0.141 0.000 1.057 486 E HN 0.395 nan 8.360 nan 0.000 0.432 487 F N -1.555 118.213 119.950 -0.302 0.000 2.599 487 F HA 0.551 5.078 4.527 0.000 0.000 0.311 487 F C -0.658 174.934 175.800 -0.347 0.000 1.076 487 F CA -1.500 56.174 58.000 -0.544 0.000 0.937 487 F CB 1.468 39.788 39.000 -1.133 0.000 1.282 487 F HN 0.324 nan 8.300 nan 0.000 0.460 488 K N 1.034 121.360 120.400 -0.123 0.000 2.143 488 K HA 0.490 4.810 4.320 0.000 0.000 0.272 488 K C -1.011 175.585 176.600 -0.007 0.000 1.001 488 K CA -0.395 55.821 56.287 -0.119 0.000 0.915 488 K CB 1.371 33.780 32.500 -0.152 0.000 1.047 488 K HN 0.901 nan 8.250 nan 0.000 0.458 489 T N 5.086 119.622 114.554 -0.030 0.000 2.753 489 T HA 0.315 4.665 4.350 0.000 0.000 0.297 489 T C -0.179 174.417 174.700 -0.174 0.000 0.981 489 T CA -0.581 61.498 62.100 -0.036 0.000 0.956 489 T CB 0.238 69.109 68.868 0.004 0.000 0.936 489 T HN 0.387 nan 8.240 nan 0.000 0.463 490 L N 6.335 127.401 121.223 -0.262 0.000 2.276 490 L HA 0.371 4.712 4.340 0.000 0.000 0.286 490 L C -1.869 174.609 176.870 -0.654 0.000 1.061 490 L CA -2.252 52.285 54.840 -0.505 0.000 0.807 490 L CB 1.098 42.890 42.059 -0.445 0.000 1.177 490 L HN 0.341 nan 8.230 nan 0.000 0.429 491 P HA 0.119 nan 4.420 nan 0.000 0.225 491 P C 0.970 177.741 177.300 -0.881 0.000 1.830 491 P CA -0.377 62.282 63.100 -0.736 0.000 1.051 491 P CB 0.270 31.602 31.700 -0.613 0.000 1.929 492 I N 1.601 121.781 120.570 -0.649 0.000 2.118 492 I HA -0.279 3.891 4.170 0.000 0.000 0.241 492 I C 2.361 178.377 176.117 -0.168 0.000 1.070 492 I CA 1.798 62.874 61.300 -0.374 0.000 1.327 492 I CB -2.036 35.767 38.000 -0.329 0.000 1.034 492 I HN 0.162 nan 8.210 nan 0.000 0.405 493 A N 0.318 123.043 122.820 -0.159 0.000 1.883 493 A HA -0.274 4.046 4.320 0.000 0.000 0.217 493 A C 2.401 179.951 177.584 -0.057 0.000 1.186 493 A CA 2.064 54.056 52.037 -0.076 0.000 0.624 493 A CB -0.855 18.100 19.000 -0.075 0.000 0.822 493 A HN 0.574 nan 8.150 nan 0.000 0.444 494 E N -1.320 118.814 120.200 -0.109 0.000 2.085 494 E HA -0.237 4.113 4.350 0.000 0.000 0.194 494 E C 1.701 178.346 176.600 0.076 0.000 0.994 494 E CA 1.427 57.795 56.400 -0.054 0.000 0.801 494 E CB -0.230 29.405 29.700 -0.108 0.000 0.743 494 E HN 0.776 nan 8.360 nan 0.000 0.453 495 W N 0.175 121.430 121.300 -0.075 0.000 2.421 495 W HA 0.036 4.696 4.660 0.000 0.000 0.270 495 W C 2.223 178.681 176.519 -0.101 0.000 1.233 495 W CA 0.906 58.198 57.345 -0.087 0.000 1.226 495 W CB -0.752 28.651 29.460 -0.096 0.000 1.121 495 W HN 0.206 nan 8.180 nan 0.000 0.579 496 A N -0.376 122.516 122.820 0.120 0.000 2.123 496 A HA 0.352 4.672 4.320 0.000 0.000 0.214 496 A C 1.797 179.382 177.584 0.003 0.000 1.152 496 A CA 1.078 53.131 52.037 0.025 0.000 0.728 496 A CB -0.849 18.157 19.000 0.010 0.000 0.814 496 A HN 0.475 nan 8.150 nan 0.000 0.464 497 G N -0.199 108.613 108.800 0.020 0.000 2.314 497 G HA2 -0.183 3.777 3.960 0.000 0.000 0.292 497 G HA3 -0.183 3.777 3.960 0.000 0.000 0.292 497 G C -0.187 174.709 174.900 -0.007 0.000 1.059 497 G CA 0.383 45.485 45.100 0.004 0.000 0.982 497 G HN 0.331 nan 8.290 nan 0.000 0.505 498 I N 0.109 120.675 120.570 -0.007 0.000 2.377 498 I HA 0.430 4.600 4.170 0.000 0.000 0.293 498 I C 1.112 177.221 176.117 -0.013 0.000 0.987 498 I CA -0.249 61.045 61.300 -0.009 0.000 1.185 498 I CB 1.350 39.347 38.000 -0.005 0.000 1.341 498 I HN 0.084 nan 8.210 nan 0.000 0.455 499 T N 3.350 117.896 114.554 -0.013 0.000 3.056 499 T HA 0.047 4.397 4.350 0.000 0.000 0.243 499 T C 0.699 175.389 174.700 -0.017 0.000 0.995 499 T CA -0.075 62.016 62.100 -0.015 0.000 1.091 499 T CB 0.321 69.180 68.868 -0.014 0.000 0.990 499 T HN 0.729 nan 8.240 nan 0.000 0.464 500 E N 1.370 121.561 120.200 -0.014 0.000 2.409 500 E HA 0.419 4.769 4.350 0.000 0.000 0.257 500 E C 1.088 177.677 176.600 -0.019 0.000 1.150 500 E CA -0.112 56.279 56.400 -0.015 0.000 0.942 500 E CB 0.037 29.731 29.700 -0.010 0.000 0.979 500 E HN 0.316 nan 8.360 nan 0.000 0.447 501 G N 1.267 110.053 108.800 -0.023 0.000 2.578 501 G HA2 -0.362 3.598 3.960 0.000 0.000 0.284 501 G HA3 -0.362 3.598 3.960 0.000 0.000 0.284 501 G C -0.441 174.431 174.900 -0.046 0.000 1.283 501 G CA 0.496 45.576 45.100 -0.033 0.000 0.944 501 G HN 0.658 nan 8.290 nan 0.000 0.558 502 Q N 1.295 121.054 119.800 -0.068 0.000 2.907 502 Q HA 0.349 4.689 4.340 0.000 0.000 0.262 502 Q C -2.375 173.561 176.000 -0.106 0.000 0.997 502 Q CA -1.506 54.245 55.803 -0.085 0.000 0.797 502 Q CB 2.131 30.807 28.738 -0.104 0.000 1.228 502 Q HN 0.542 nan 8.270 nan 0.000 0.466 503 P HA 0.064 nan 4.420 nan 0.000 0.271 503 P C -0.693 176.586 177.300 -0.036 0.000 1.220 503 P CA 0.039 63.116 63.100 -0.038 0.000 0.768 503 P CB 0.956 32.651 31.700 -0.009 0.000 0.848 504 R N 1.673 122.170 120.500 -0.006 0.000 2.670 504 R HA 0.564 4.904 4.340 0.000 0.000 0.289 504 R C -0.705 175.694 176.300 0.166 0.000 0.965 504 R CA -1.174 54.951 56.100 0.041 0.000 0.899 504 R CB 2.103 32.392 30.300 -0.018 0.000 1.173 504 R HN 0.236 nan 8.270 nan 0.000 0.456 505 V N 3.284 123.278 119.914 0.133 0.000 2.407 505 V HA 0.404 4.524 4.120 0.000 0.000 0.278 505 V C -0.437 175.815 176.094 0.263 0.000 1.037 505 V CA -0.463 61.937 62.300 0.168 0.000 0.900 505 V CB 1.572 33.417 31.823 0.035 0.000 0.983 505 V HN 0.475 nan 8.190 nan 0.000 0.459 506 V N 5.611 125.726 119.914 0.334 0.000 2.808 506 V HA 0.561 4.681 4.120 0.000 0.000 0.308 506 V C -0.465 175.811 176.094 0.302 0.000 1.099 506 V CA -0.343 62.181 62.300 0.374 0.000 0.920 506 V CB 1.706 33.770 31.823 0.401 0.000 1.014 506 V HN 1.078 nan 8.190 nan 0.000 0.425 507 Q N 3.249 123.245 119.800 0.327 0.000 2.981 507 Q HA -0.137 4.203 4.340 0.000 0.000 0.086 507 Q C -0.142 175.711 176.000 -0.245 0.000 1.576 507 Q CA 0.838 56.623 55.803 -0.030 0.000 0.394 507 Q CB -0.784 27.598 28.738 -0.593 0.000 0.614 507 Q HN 1.409 nan 8.270 nan 0.000 0.320 508 G N 3.219 111.779 108.800 -0.401 0.000 2.415 508 G HA2 0.429 4.389 3.960 0.000 0.000 0.269 508 G HA3 0.429 4.389 3.960 0.000 0.000 0.269 508 G C -0.790 173.800 174.900 -0.517 0.000 1.209 508 G CA 0.000 44.494 45.100 -1.010 0.000 0.835 508 G HN 0.548 nan 8.290 nan 0.000 0.534 509 E N 1.230 121.147 120.200 -0.471 0.000 2.274 509 E HA 0.503 4.853 4.350 0.000 0.000 0.269 509 E C -1.168 175.351 176.600 -0.135 0.000 0.891 509 E CA -0.706 55.568 56.400 -0.211 0.000 0.784 509 E CB 0.867 30.436 29.700 -0.219 0.000 1.225 509 E HN 0.247 nan 8.360 nan 0.000 0.412 510 F N 2.926 122.850 119.950 -0.044 0.000 2.380 510 F HA 0.288 4.815 4.527 0.000 0.000 0.325 510 F C 1.350 177.145 175.800 -0.009 0.000 1.136 510 F CA -0.275 57.739 58.000 0.023 0.000 1.171 510 F CB 0.527 39.576 39.000 0.081 0.000 1.230 510 F HN 0.513 nan 8.300 nan 0.000 0.554 511 N N 1.213 120.089 118.700 0.293 0.000 2.327 511 N HA 0.071 4.811 4.740 0.000 0.000 0.257 511 N C 0.687 176.270 175.510 0.121 0.000 1.281 511 N CA -0.552 52.626 53.050 0.212 0.000 0.942 511 N CB 0.245 38.920 38.487 0.312 0.000 1.199 511 N HN 0.665 nan 8.380 nan 0.000 0.532 512 K N -0.712 119.729 120.400 0.069 0.000 2.063 512 K HA -0.169 4.151 4.320 0.000 0.000 0.208 512 K C 0.280 176.880 176.600 -0.000 0.000 1.048 512 K CA 1.664 57.972 56.287 0.035 0.000 0.928 512 K CB -0.129 32.332 32.500 -0.065 0.000 0.713 512 K HN 0.465 nan 8.250 nan 0.000 0.442 513 D N -0.647 119.746 120.400 -0.012 0.000 2.347 513 D HA 0.003 4.643 4.640 0.000 0.000 0.215 513 D C 0.879 177.095 176.300 -0.139 0.000 0.976 513 D CA 1.160 55.138 54.000 -0.037 0.000 0.884 513 D CB 0.238 41.036 40.800 -0.003 0.000 0.915 513 D HN 0.560 nan 8.370 nan 0.000 0.526 514 G N 1.068 109.714 108.800 -0.257 0.000 2.176 514 G HA2 -0.316 3.644 3.960 0.000 0.000 0.252 514 G HA3 -0.316 3.644 3.960 0.000 0.000 0.252 514 G C 1.077 175.926 174.900 -0.084 0.000 1.024 514 G CA 1.118 45.797 45.100 -0.701 0.000 0.755 514 G HN 0.423 nan 8.290 nan 0.000 0.507 515 T N -3.445 111.179 114.554 0.116 0.000 3.014 515 T HA 0.441 4.791 4.350 0.000 0.000 0.250 515 T C 0.565 175.425 174.700 0.267 0.000 1.060 515 T CA 0.870 63.081 62.100 0.186 0.000 1.040 515 T CB 0.778 69.725 68.868 0.132 0.000 0.971 515 T HN 0.529 nan 8.240 nan 0.000 0.497 516 E N 0.365 120.742 120.200 0.295 0.000 2.317 516 E HA 0.651 5.001 4.350 0.000 0.000 0.270 516 E C -1.892 174.759 176.600 0.084 0.000 0.885 516 E CA -1.010 55.536 56.400 0.244 0.000 0.760 516 E CB 3.296 33.196 29.700 0.334 0.000 1.227 516 E HN 0.051 nan 8.360 nan 0.000 0.434 517 V N 2.872 122.706 119.914 -0.135 0.000 2.487 517 V HA 0.466 4.586 4.120 0.000 0.000 0.298 517 V C -1.630 174.408 176.094 -0.093 0.000 1.028 517 V CA -0.503 61.468 62.300 -0.548 0.000 0.860 517 V CB 0.690 31.697 31.823 -1.359 0.000 0.991 517 V HN 0.577 nan 8.190 nan 0.000 0.427 518 W N 5.512 126.543 121.300 -0.447 0.000 2.448 518 W HA 0.752 5.412 4.660 0.000 0.000 0.339 518 W C -0.552 175.647 176.519 -0.534 0.000 1.124 518 W CA -1.081 56.072 57.345 -0.320 0.000 1.262 518 W CB 1.051 30.360 29.460 -0.252 0.000 1.251 518 W HN 0.396 nan 8.180 nan 0.000 0.597 519 F N 0.583 120.585 119.950 0.087 0.000 2.588 519 F HA 0.448 4.975 4.527 0.000 0.000 0.310 519 F C 0.258 176.082 175.800 0.041 0.000 1.082 519 F CA -1.001 57.024 58.000 0.040 0.000 0.929 519 F CB 1.856 40.867 39.000 0.019 0.000 1.254 519 F HN -0.049 nan 8.300 nan 0.000 0.455 520 S N 1.257 117.103 115.700 0.243 0.000 2.462 520 S HA 0.549 5.019 4.470 0.000 0.000 0.294 520 S C -0.685 174.038 174.600 0.205 0.000 1.144 520 S CA -0.661 57.640 58.200 0.169 0.000 1.088 520 S CB 1.447 64.708 63.200 0.102 0.000 1.009 520 S HN 0.313 nan 8.310 nan 0.000 0.484 521 V N 4.509 124.522 119.914 0.165 0.000 2.240 521 V HA 0.184 4.304 4.120 0.000 0.000 0.265 521 V C -0.625 175.607 176.094 0.230 0.000 1.073 521 V CA -0.727 61.668 62.300 0.157 0.000 0.857 521 V CB -0.195 31.679 31.823 0.085 0.000 1.114 521 V HN 0.890 nan 8.190 nan 0.000 0.469 522 W N 6.140 127.470 121.300 0.051 0.000 2.546 522 W HA 0.421 5.081 4.660 0.000 0.000 0.323 522 W C -0.115 176.428 176.519 0.040 0.000 1.272 522 W CA -0.499 56.878 57.345 0.053 0.000 1.404 522 W CB 0.226 29.729 29.460 0.072 0.000 1.411 522 W HN 0.458 nan 8.180 nan 0.000 0.480 523 N N 2.669 121.508 118.700 0.232 0.000 2.531 523 N HA 0.606 5.346 4.740 0.000 0.000 0.290 523 N C -0.034 175.511 175.510 0.058 0.000 1.257 523 N CA -0.368 52.705 53.050 0.039 0.000 0.863 523 N CB 1.529 40.046 38.487 0.050 0.000 1.320 523 N HN 0.462 nan 8.380 nan 0.000 0.538 524 G N 0.296 109.094 108.800 -0.004 0.000 2.614 524 G HA2 0.012 3.972 3.960 0.000 0.000 0.239 524 G HA3 0.012 3.972 3.960 0.000 0.000 0.239 524 G C 0.938 175.885 174.900 0.078 0.000 1.240 524 G CA -0.094 45.021 45.100 0.025 0.000 0.842 524 G HN 0.729 nan 8.290 nan 0.000 0.584 525 K N -0.288 120.167 120.400 0.092 0.000 2.089 525 K HA -0.154 4.167 4.320 0.000 0.000 0.210 525 K C 1.015 177.653 176.600 0.062 0.000 1.048 525 K CA 1.924 58.265 56.287 0.091 0.000 0.926 525 K CB 0.029 32.580 32.500 0.085 0.000 0.714 525 K HN 0.447 nan 8.250 nan 0.000 0.448 526 D N 0.387 120.812 120.400 0.042 0.000 2.328 526 D HA 0.044 4.684 4.640 0.000 0.000 0.221 526 D C -0.015 176.298 176.300 0.022 0.000 1.072 526 D CA 0.369 54.385 54.000 0.027 0.000 0.850 526 D CB 0.455 41.264 40.800 0.015 0.000 0.922 526 D HN 0.379 nan 8.370 nan 0.000 0.516 527 Q N 0.049 119.866 119.800 0.029 0.000 2.333 527 Q HA 0.348 4.688 4.340 0.000 0.000 0.266 527 Q C -0.192 175.827 176.000 0.031 0.000 1.053 527 Q CA -0.801 55.015 55.803 0.022 0.000 0.890 527 Q CB 1.924 30.669 28.738 0.012 0.000 1.337 527 Q HN -0.051 nan 8.270 nan 0.000 0.474 528 E N 0.395 120.609 120.200 0.022 0.000 2.229 528 E HA 0.283 4.633 4.350 0.000 0.000 0.283 528 E C -1.024 175.597 176.600 0.036 0.000 1.030 528 E CA -0.054 56.361 56.400 0.024 0.000 0.836 528 E CB 0.870 30.576 29.700 0.009 0.000 1.068 528 E HN 0.418 nan 8.360 nan 0.000 0.401 529 S N 1.681 117.411 115.700 0.050 0.000 2.786 529 S HA 0.952 5.423 4.470 0.000 0.000 0.307 529 S C -1.009 173.615 174.600 0.040 0.000 1.121 529 S CA -0.289 57.953 58.200 0.070 0.000 0.975 529 S CB 1.761 65.031 63.200 0.116 0.000 1.220 529 S HN 0.743 nan 8.310 nan 0.000 0.550 530 A N 0.241 123.087 122.820 0.044 0.000 2.544 530 A HA 0.676 4.996 4.320 0.000 0.000 0.291 530 A C -2.274 175.311 177.584 0.003 0.000 1.055 530 A CA -0.705 51.333 52.037 0.001 0.000 0.651 530 A CB 0.546 19.529 19.000 -0.027 0.000 1.296 530 A HN 0.590 nan 8.150 nan 0.000 0.431 531 L N 0.642 121.827 121.223 -0.063 0.000 2.341 531 L HA 0.663 5.003 4.340 0.000 0.000 0.278 531 L C -0.939 175.816 176.870 -0.193 0.000 1.005 531 L CA -1.082 53.702 54.840 -0.094 0.000 0.818 531 L CB 1.923 43.900 42.059 -0.138 0.000 1.259 531 L HN 0.436 nan 8.230 nan 0.000 0.418 532 V N 3.988 123.834 119.914 -0.113 0.000 2.357 532 V HA 0.314 4.434 4.120 0.000 0.000 0.284 532 V C 0.024 176.013 176.094 -0.175 0.000 1.018 532 V CA -0.618 61.617 62.300 -0.108 0.000 0.841 532 V CB 1.977 33.843 31.823 0.072 0.000 0.991 532 V HN 0.421 nan 8.190 nan 0.000 0.437 533 V N 6.353 126.028 119.914 -0.398 0.000 2.383 533 V HA 0.395 4.515 4.120 0.000 0.000 0.275 533 V C 0.060 176.065 176.094 -0.149 0.000 1.036 533 V CA -0.411 61.613 62.300 -0.460 0.000 0.889 533 V CB 1.590 32.908 31.823 -0.842 0.000 0.985 533 V HN 0.596 nan 8.190 nan 0.000 0.459 534 V N 3.754 123.684 119.914 0.026 0.000 2.483 534 V HA 0.303 4.423 4.120 0.000 0.000 0.295 534 V C -0.100 176.063 176.094 0.115 0.000 1.035 534 V CA -0.700 61.672 62.300 0.120 0.000 0.896 534 V CB 1.959 33.962 31.823 0.299 0.000 0.986 534 V HN 0.971 nan 8.190 nan 0.000 0.447 535 D N 2.502 122.963 120.400 0.101 0.000 2.336 535 D HA 0.092 4.732 4.640 0.000 0.000 0.249 535 D C 0.969 177.402 176.300 0.222 0.000 1.213 535 D CA -0.043 54.038 54.000 0.136 0.000 0.870 535 D CB 1.074 41.923 40.800 0.082 0.000 1.076 535 D HN 0.688 nan 8.370 nan 0.000 0.483 536 D N 3.280 123.856 120.400 0.293 0.000 2.133 536 D HA -0.218 4.422 4.640 0.000 0.000 0.195 536 D C 1.379 177.951 176.300 0.454 0.000 0.997 536 D CA 1.541 55.813 54.000 0.454 0.000 0.840 536 D CB 0.344 41.462 40.800 0.530 0.000 0.947 536 D HN 0.352 nan 8.370 nan 0.000 0.452 537 K N -1.098 119.491 120.400 0.316 0.000 2.057 537 K HA -0.055 4.265 4.320 0.000 0.000 0.206 537 K C 2.085 178.845 176.600 0.265 0.000 1.050 537 K CA 1.702 58.157 56.287 0.280 0.000 0.935 537 K CB -0.093 32.511 32.500 0.174 0.000 0.715 537 K HN 0.309 nan 8.250 nan 0.000 0.439 538 T N -1.984 112.680 114.554 0.184 0.000 3.040 538 T HA 0.214 4.564 4.350 0.000 0.000 0.250 538 T C 0.667 175.423 174.700 0.093 0.000 1.058 538 T CA -0.304 61.869 62.100 0.122 0.000 0.988 538 T CB -0.115 68.795 68.868 0.070 0.000 0.993 538 T HN 0.167 nan 8.240 nan 0.000 0.519 539 L N 0.631 121.926 121.223 0.119 0.000 3.717 539 L HA -0.175 4.166 4.340 0.000 0.000 0.414 539 L C -0.319 176.644 176.870 0.155 0.000 1.228 539 L CA 0.477 55.382 54.840 0.108 0.000 0.918 539 L CB -1.928 40.093 42.059 -0.064 0.000 1.865 539 L HN 0.540 nan 8.230 nan 0.000 0.922 540 E N -0.215 120.023 120.200 0.064 0.000 2.299 540 E HA 0.559 4.909 4.350 0.000 0.000 0.265 540 E C -0.448 175.947 176.600 -0.342 0.000 0.911 540 E CA -1.309 55.014 56.400 -0.128 0.000 0.789 540 E CB 2.384 32.007 29.700 -0.128 0.000 1.246 540 E HN 0.087 nan 8.360 nan 0.000 0.427 541 L N 2.289 122.976 121.223 -0.894 0.000 2.499 541 L HA 0.007 4.347 4.340 0.000 0.000 0.273 541 L C 0.742 177.374 176.870 -0.396 0.000 1.195 541 L CA 0.806 55.156 54.840 -0.818 0.000 0.882 541 L CB 0.490 41.817 42.059 -1.220 0.000 1.133 541 L HN 0.497 nan 8.230 nan 0.000 0.483 542 K N 3.024 123.268 120.400 -0.259 0.000 2.306 542 K HA 0.175 4.495 4.320 0.000 0.000 0.200 542 K C -0.471 176.024 176.600 -0.175 0.000 1.083 542 K CA 0.643 56.829 56.287 -0.168 0.000 0.959 542 K CB 0.097 32.539 32.500 -0.096 0.000 0.994 542 K HN 0.820 nan 8.250 nan 0.000 0.492 543 H N -1.674 117.133 119.070 -0.439 0.000 3.068 543 H HA 0.493 5.049 4.556 0.000 0.000 0.342 543 H C -2.010 173.029 175.328 -0.482 0.000 1.284 543 H CA -0.747 54.986 56.048 -0.525 0.000 1.181 543 H CB 1.614 30.820 29.762 -0.926 0.000 1.898 543 H HN -0.171 nan 8.280 nan 0.000 0.540 544 V N 5.392 124.763 119.914 -0.904 0.000 2.444 544 V HA 0.369 4.489 4.120 0.000 0.000 0.294 544 V C -0.078 175.650 176.094 -0.610 0.000 1.022 544 V CA -0.556 61.399 62.300 -0.575 0.000 0.850 544 V CB 1.294 32.896 31.823 -0.369 0.000 0.992 544 V HN 0.566 nan 8.190 nan 0.000 0.426 545 I N 5.327 125.675 120.570 -0.370 0.000 2.321 545 I HA 0.491 4.661 4.170 0.000 0.000 0.291 545 I C 0.020 176.058 176.117 -0.131 0.000 0.998 545 I CA -0.293 60.878 61.300 -0.215 0.000 1.227 545 I CB 0.964 38.843 38.000 -0.202 0.000 1.368 545 I HN 0.492 nan 8.210 nan 0.000 0.466 546 K N 5.215 125.560 120.400 -0.091 0.000 2.422 546 K HA 0.540 4.860 4.320 0.000 0.000 0.251 546 K C -1.430 175.156 176.600 -0.022 0.000 0.933 546 K CA -0.886 55.370 56.287 -0.052 0.000 0.798 546 K CB 2.771 35.235 32.500 -0.060 0.000 1.238 546 K HN 0.496 nan 8.250 nan 0.000 0.428 547 D N 1.251 121.647 120.400 -0.006 0.000 2.706 547 D HA -0.018 4.622 4.640 0.000 0.000 0.225 547 D C 0.068 176.375 176.300 0.012 0.000 1.241 547 D CA -0.272 53.731 54.000 0.005 0.000 0.784 547 D CB 2.070 42.877 40.800 0.012 0.000 1.521 547 D HN 0.668 nan 8.370 nan 0.000 0.461 548 E N 1.571 121.779 120.200 0.012 0.000 2.160 548 E HA -0.180 4.170 4.350 0.000 0.000 0.195 548 E C 1.166 177.779 176.600 0.023 0.000 0.991 548 E CA 1.230 57.639 56.400 0.016 0.000 0.810 548 E CB 0.291 29.998 29.700 0.013 0.000 0.742 548 E HN 0.312 nan 8.360 nan 0.000 0.466 549 R N -0.216 120.299 120.500 0.024 0.000 2.299 549 R HA 0.052 4.392 4.340 0.000 0.000 0.197 549 R C 0.696 177.019 176.300 0.038 0.000 0.971 549 R CA -0.109 56.009 56.100 0.030 0.000 1.030 549 R CB -0.003 30.314 30.300 0.028 0.000 0.932 549 R HN 0.084 nan 8.270 nan 0.000 0.477 550 L N 2.146 123.392 121.223 0.037 0.000 2.416 550 L HA 0.094 4.434 4.340 0.000 0.000 0.243 550 L C -0.661 176.244 176.870 0.059 0.000 1.373 550 L CA 0.130 54.998 54.840 0.046 0.000 1.227 550 L CB 0.249 42.330 42.059 0.036 0.000 1.428 550 L HN -0.192 nan 8.230 nan 0.000 0.425 551 V N 2.459 122.412 119.914 0.065 0.000 2.461 551 V HA 0.181 4.301 4.120 0.000 0.000 0.275 551 V C 0.992 177.152 176.094 0.108 0.000 1.047 551 V CA 0.007 62.358 62.300 0.085 0.000 0.955 551 V CB 0.675 32.544 31.823 0.077 0.000 0.988 551 V HN 0.836 nan 8.190 nan 0.000 0.471 552 T N 4.334 118.987 114.554 0.165 0.000 3.361 552 T HA -0.123 4.227 4.350 0.000 0.000 0.417 552 T C -1.666 173.078 174.700 0.074 0.000 0.769 552 T CA -0.042 62.207 62.100 0.249 0.000 2.085 552 T CB -1.588 67.480 68.868 0.334 0.000 1.689 552 T HN 0.592 nan 8.240 nan 0.000 0.639 553 P HA 0.276 nan 4.420 nan 0.000 0.276 553 P C 0.919 178.121 177.300 -0.164 0.000 1.235 553 P CA -0.031 63.057 63.100 -0.020 0.000 0.772 553 P CB 1.635 33.360 31.700 0.042 0.000 0.871 554 T N 0.651 115.058 114.554 -0.245 0.000 2.964 554 T HA 0.347 4.697 4.350 0.000 0.000 0.161 554 T C 1.026 175.580 174.700 -0.243 0.000 0.859 554 T CA 0.076 61.945 62.100 -0.384 0.000 1.015 554 T CB -0.866 67.608 68.868 -0.657 0.000 2.138 554 T HN 0.339 nan 8.240 nan 0.000 0.367 555 G N 2.237 110.906 108.800 -0.218 0.000 2.365 555 G HA2 0.484 4.444 3.960 0.000 0.000 0.249 555 G HA3 0.484 4.444 3.960 0.000 0.000 0.249 555 G C -0.887 173.778 174.900 -0.393 0.000 1.288 555 G CA -0.367 44.552 45.100 -0.302 0.000 0.887 555 G HN 0.578 nan 8.290 nan 0.000 0.524 556 K N 1.146 121.075 120.400 -0.786 0.000 2.345 556 K HA 0.493 4.813 4.320 0.000 0.000 0.255 556 K C -1.486 174.464 176.600 -1.083 0.000 0.934 556 K CA -0.475 55.479 56.287 -0.554 0.000 0.801 556 K CB 2.168 34.559 32.500 -0.182 0.000 1.137 556 K HN 0.386 nan 8.250 nan 0.000 0.424 557 F N 1.563 121.455 119.950 -0.097 0.000 2.539 557 F HA 0.232 4.759 4.527 0.000 0.000 0.328 557 F C 0.288 175.866 175.800 -0.369 0.000 1.148 557 F CA -1.006 56.877 58.000 -0.194 0.000 0.940 557 F CB 1.373 40.303 39.000 -0.117 0.000 1.194 557 F HN 0.437 nan 8.300 nan 0.000 0.438 558 N N 2.609 121.021 118.700 -0.480 0.000 2.475 558 N HA 0.080 4.820 4.740 0.000 0.000 0.267 558 N C 0.987 176.363 175.510 -0.223 0.000 1.169 558 N CA 0.008 52.613 53.050 -0.743 0.000 0.947 558 N CB 1.520 39.512 38.487 -0.824 0.000 1.061 558 N HN 0.482 nan 8.380 nan 0.000 0.466 559 V N 4.685 124.517 119.914 -0.136 0.000 2.250 559 V HA -0.295 3.825 4.120 0.000 0.000 0.250 559 V C 1.810 177.937 176.094 0.055 0.000 1.060 559 V CA 1.851 64.158 62.300 0.012 0.000 1.030 559 V CB -1.099 30.764 31.823 0.068 0.000 0.643 559 V HN 0.753 nan 8.190 nan 0.000 0.445 560 Y N 1.602 121.890 120.300 -0.020 0.000 2.145 560 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 560 Y C 2.531 178.461 175.900 0.050 0.000 1.145 560 Y CA 2.073 60.190 58.100 0.027 0.000 1.148 560 Y CB -0.258 38.222 38.460 0.034 0.000 0.981 560 Y HN 0.305 nan 8.280 nan 0.000 0.507 561 N N -0.971 117.813 118.700 0.139 0.000 2.396 561 N HA -0.105 4.635 4.740 0.000 0.000 0.180 561 N C 1.558 177.125 175.510 0.094 0.000 1.028 561 N CA 1.587 54.711 53.050 0.123 0.000 0.893 561 N CB -0.351 38.254 38.487 0.198 0.000 0.967 561 N HN 0.394 nan 8.380 nan 0.000 0.440 562 T N 1.665 116.258 114.554 0.064 0.000 2.894 562 T HA 0.017 4.367 4.350 0.000 0.000 0.258 562 T C 2.061 176.785 174.700 0.039 0.000 1.043 562 T CA 0.672 62.824 62.100 0.087 0.000 1.141 562 T CB -0.035 68.877 68.868 0.074 0.000 0.873 562 T HN 0.346 nan 8.240 nan 0.000 0.449 563 M N 1.963 121.551 119.600 -0.020 0.000 2.296 563 M HA -0.012 4.468 4.480 0.000 0.000 0.265 563 M C 2.010 178.281 176.300 -0.048 0.000 1.064 563 M CA 1.833 57.112 55.300 -0.034 0.000 1.109 563 M CB -1.072 31.498 32.600 -0.051 0.000 1.396 563 M HN 0.218 nan 8.290 nan 0.000 0.430 564 T N -3.957 110.519 114.554 -0.130 0.000 3.069 564 T HA 0.156 4.506 4.350 0.000 0.000 0.252 564 T C -0.073 174.647 174.700 0.034 0.000 1.053 564 T CA 0.001 62.051 62.100 -0.083 0.000 0.964 564 T CB -0.271 68.410 68.868 -0.312 0.000 1.005 564 T HN 0.462 nan 8.240 nan 0.000 0.532 565 D N 1.280 121.720 120.400 0.066 0.000 2.699 565 D HA -0.110 4.530 4.640 0.000 0.000 0.239 565 D C -0.718 175.519 176.300 -0.106 0.000 1.136 565 D CA 0.920 54.969 54.000 0.083 0.000 0.668 565 D CB -1.997 38.727 40.800 -0.126 0.000 1.060 565 D HN 0.441 nan 8.370 nan 0.000 0.429 566 T N 1.192 115.758 114.554 0.020 0.000 2.762 566 T HA 0.506 4.856 4.350 0.000 0.000 0.303 566 T C 0.002 174.734 174.700 0.053 0.000 0.977 566 T CA -0.412 61.648 62.100 -0.067 0.000 0.961 566 T CB 0.333 69.184 68.868 -0.027 0.000 0.944 566 T HN 0.292 nan 8.240 nan 0.000 0.481 567 Y N 0.000 120.356 120.300 0.094 0.000 2.660 567 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 567 Y CA 0.000 58.176 58.100 0.127 0.000 1.940 567 Y CB 0.000 38.572 38.460 0.187 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758