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 1gq1_1_A DATA FIRST_RESID 9 DATA SEQUENCE DPAAALEDHK TRTDNRSEPS LDNLAQQDVA APGAPEGVSA LSDAQYNEAN DATA SEQUENCE KIYFERCAGC HGVLRKGATG KALTPDLTRD LGFDYLQSFI TYGSPAGMPN DATA SEQUENCE WGTSGELSAE QVDLMANYLL LDPAAPPEFG MKEMRESWKV HVAPEDRPTQ DATA SEQUENCE QENDWDLENL FSVTLRDAGQ IALIDGATYE IKSVLDTGYA VHISRLSASG DATA SEQUENCE RYLFVIGRDG KVNMIDLWMK EPTTVAEIKI GSEARSIETS KMEGWEDKYA DATA SEQUENCE IAGAYWPPQY VIMDGETLEP KKIQSTRGMT YDEQEYHPEP RVAAILASHY DATA SEQUENCE RPEFIVNVKE TGKILLVDYT DLDNLKTTEI SAERFLHDGG LDGSHRYFIT DATA SEQUENCE AANARNKLVV IDTKEGKLVA IEDTGGQTPH PGRGANFVHP TFGPVWATSH DATA SEQUENCE MGDDSVALIG TDPEGHPDNA WKILDSFPAL GGGSLFIKTH PNSQYLYVDA DATA SEQUENCE TLNPEAEISG SVAVFDIKAM TGDGSDPEFK TLPIAEWAGI TEGQPRVVQG DATA SEQUENCE EFNKDGTEVW FSVWNGKDQE SALVVVDDKT LELKHVIKDE RLVTPTGKFN DATA SEQUENCE 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.512 176.300 0.354 0.000 2.045 9 D CA 0.000 54.164 54.000 0.273 0.000 0.868 9 D CB 0.000 40.894 40.800 0.156 0.000 0.688 10 P HA 0.072 nan 4.420 nan 0.000 0.220 10 P C 1.265 178.562 177.300 -0.004 0.000 1.148 10 P CA 2.103 65.286 63.100 0.139 0.000 0.803 10 P CB -0.105 31.627 31.700 0.053 0.000 0.782 11 A N 0.036 122.857 122.820 0.002 0.000 2.216 11 A HA 0.054 4.377 4.320 0.005 0.000 0.214 11 A C 2.165 179.563 177.584 -0.311 0.000 1.160 11 A CA 1.328 53.251 52.037 -0.190 0.000 0.725 11 A CB -1.239 17.738 19.000 -0.038 0.000 0.784 11 A HN 0.208 nan 8.150 nan 0.000 0.472 12 A N -0.305 122.421 122.820 -0.156 0.000 2.121 12 A HA 0.268 4.590 4.320 0.005 0.000 0.218 12 A C 2.250 179.676 177.584 -0.263 0.000 1.154 12 A CA 1.356 53.333 52.037 -0.100 0.000 0.679 12 A CB -0.628 18.435 19.000 0.105 0.000 0.795 12 A HN 0.960 nan 8.150 nan 0.000 0.458 13 A N -0.085 122.312 122.820 -0.706 0.000 2.070 13 A HA -0.026 4.296 4.320 0.005 0.000 0.220 13 A C 1.984 179.198 177.584 -0.618 0.000 1.159 13 A CA 1.239 52.672 52.037 -1.006 0.000 0.656 13 A CB -0.517 17.500 19.000 -1.638 0.000 0.800 13 A HN 0.502 nan 8.150 nan 0.000 0.453 14 L N -1.089 119.746 121.223 -0.647 0.000 2.191 14 L HA -0.184 4.159 4.340 0.005 0.000 0.212 14 L C 2.576 179.320 176.870 -0.211 0.000 1.103 14 L CA 1.817 56.408 54.840 -0.414 0.000 0.769 14 L CB -0.254 41.580 42.059 -0.376 0.000 0.908 14 L HN 0.608 nan 8.230 nan 0.000 0.438 15 E N -0.536 119.562 120.200 -0.170 0.000 2.166 15 E HA -0.129 4.224 4.350 0.005 0.000 0.192 15 E C 1.159 177.735 176.600 -0.041 0.000 0.967 15 E CA 0.561 56.910 56.400 -0.085 0.000 0.840 15 E CB 0.399 30.062 29.700 -0.061 0.000 0.795 15 E HN 0.409 nan 8.360 nan 0.000 0.470 16 D N -0.949 119.436 120.400 -0.025 0.000 2.355 16 D HA 0.018 4.660 4.640 0.005 0.000 0.206 16 D C 0.808 177.229 176.300 0.201 0.000 1.010 16 D CA 0.577 54.621 54.000 0.074 0.000 0.875 16 D CB 0.251 41.125 40.800 0.122 0.000 0.966 16 D HN 0.320 nan 8.370 nan 0.000 0.512 17 H N -0.293 118.740 119.070 -0.062 0.000 2.672 17 H HA 0.142 4.701 4.556 0.005 0.000 0.277 17 H C 0.210 175.499 175.328 -0.066 0.000 1.074 17 H CA -0.253 55.770 56.048 -0.042 0.000 1.173 17 H CB 0.967 30.690 29.762 -0.065 0.000 1.558 17 H HN -0.242 nan 8.280 nan 0.000 0.539 18 K N 1.344 121.752 120.400 0.014 0.000 2.090 18 K HA 0.228 4.551 4.320 0.005 0.000 0.249 18 K C 0.117 176.695 176.600 -0.038 0.000 0.995 18 K CA -0.381 55.890 56.287 -0.027 0.000 0.914 18 K CB 1.261 33.733 32.500 -0.048 0.000 1.057 18 K HN -0.047 nan 8.250 nan 0.000 0.462 19 T N 2.741 117.266 114.554 -0.049 0.000 2.814 19 T HA 0.242 4.595 4.350 0.005 0.000 0.297 19 T C 0.495 175.164 174.700 -0.053 0.000 0.956 19 T CA -0.163 61.901 62.100 -0.059 0.000 1.123 19 T CB 0.465 69.293 68.868 -0.068 0.000 0.902 19 T HN 0.240 nan 8.240 nan 0.000 0.528 20 R N 0.905 121.373 120.500 -0.054 0.000 2.856 20 R HA 0.425 4.768 4.340 0.005 0.000 0.258 20 R C 1.760 178.029 176.300 -0.052 0.000 1.066 20 R CA -0.690 55.381 56.100 -0.048 0.000 1.045 20 R CB 0.624 30.897 30.300 -0.044 0.000 1.178 20 R HN 0.725 nan 8.270 nan 0.000 0.499 21 T N -2.804 111.723 114.554 -0.044 0.000 3.035 21 T HA -0.090 4.263 4.350 0.005 0.000 0.268 21 T C 0.762 175.431 174.700 -0.052 0.000 1.109 21 T CA 1.102 63.175 62.100 -0.046 0.000 1.119 21 T CB -0.152 68.696 68.868 -0.034 0.000 0.900 21 T HN 0.690 nan 8.240 nan 0.000 0.503 22 D N 1.121 121.491 120.400 -0.050 0.000 2.479 22 D HA 0.048 4.691 4.640 0.005 0.000 0.218 22 D C 0.758 177.017 176.300 -0.069 0.000 1.177 22 D CA -0.387 53.581 54.000 -0.054 0.000 0.830 22 D CB -0.566 40.216 40.800 -0.029 0.000 1.014 22 D HN 0.554 nan 8.370 nan 0.000 0.503 23 N N 0.278 118.933 118.700 -0.074 0.000 2.238 23 N HA 0.078 4.821 4.740 0.005 0.000 0.235 23 N C 0.705 176.158 175.510 -0.094 0.000 1.209 23 N CA -0.391 52.607 53.050 -0.087 0.000 0.879 23 N CB -0.030 38.409 38.487 -0.079 0.000 1.136 23 N HN 0.008 nan 8.380 nan 0.000 0.517 24 R N -0.503 119.942 120.500 -0.092 0.000 2.334 24 R HA 0.286 4.629 4.340 0.005 0.000 0.216 24 R C -0.079 176.170 176.300 -0.085 0.000 0.905 24 R CA 0.153 56.191 56.100 -0.103 0.000 1.064 24 R CB 0.371 30.607 30.300 -0.106 0.000 1.046 24 R HN 0.056 nan 8.270 nan 0.000 0.508 25 S N 1.017 116.678 115.700 -0.066 0.000 2.525 25 S HA 0.178 4.651 4.470 0.005 0.000 0.242 25 S C -0.387 174.202 174.600 -0.019 0.000 1.164 25 S CA -0.291 57.898 58.200 -0.018 0.000 1.154 25 S CB 0.348 63.519 63.200 -0.048 0.000 0.875 25 S HN 0.108 nan 8.310 nan 0.000 0.482 26 E N 2.385 122.565 120.200 -0.033 0.000 2.250 26 E HA 0.404 4.757 4.350 0.005 0.000 0.269 26 E C -2.648 173.974 176.600 0.038 0.000 1.018 26 E CA -2.744 53.633 56.400 -0.038 0.000 0.873 26 E CB 0.052 29.695 29.700 -0.094 0.000 1.134 26 E HN 0.032 nan 8.360 nan 0.000 0.403 27 P HA -0.016 nan 4.420 nan 0.000 0.264 27 P C -0.530 176.853 177.300 0.138 0.000 1.183 27 P CA 0.285 63.478 63.100 0.155 0.000 0.763 27 P CB 0.475 32.183 31.700 0.014 0.000 0.807 28 S N 3.223 119.078 115.700 0.258 0.000 2.448 28 S HA 0.338 4.810 4.470 0.005 0.000 0.320 28 S C -0.039 174.708 174.600 0.244 0.000 1.071 28 S CA -0.730 57.615 58.200 0.242 0.000 1.113 28 S CB -0.420 63.005 63.200 0.374 0.000 0.972 28 S HN 0.263 nan 8.310 nan 0.000 0.465 29 L N 5.251 126.573 121.223 0.164 0.000 2.648 29 L HA 0.274 4.617 4.340 0.005 0.000 0.238 29 L C 0.757 177.744 176.870 0.195 0.000 1.316 29 L CA -0.473 54.462 54.840 0.157 0.000 1.241 29 L CB -0.262 41.822 42.059 0.042 0.000 1.499 29 L HN 0.662 nan 8.230 nan 0.000 0.411 30 D N -1.464 119.054 120.400 0.197 0.000 2.347 30 D HA -0.126 4.517 4.640 0.005 0.000 0.215 30 D C 1.195 177.583 176.300 0.147 0.000 0.976 30 D CA 0.515 54.625 54.000 0.184 0.000 0.884 30 D CB 0.084 41.009 40.800 0.208 0.000 0.915 30 D HN 0.289 nan 8.370 nan 0.000 0.526 31 N N 0.322 119.099 118.700 0.128 0.000 2.197 31 N HA -0.050 4.692 4.740 0.005 0.000 0.184 31 N C 1.807 177.397 175.510 0.134 0.000 1.030 31 N CA 0.328 53.440 53.050 0.103 0.000 0.851 31 N CB -0.189 38.335 38.487 0.061 0.000 1.003 31 N HN 0.127 nan 8.380 nan 0.000 0.430 32 L N 1.911 123.236 121.223 0.170 0.000 2.131 32 L HA 0.010 4.353 4.340 0.005 0.000 0.210 32 L C 2.161 179.223 176.870 0.321 0.000 1.092 32 L CA 1.128 56.107 54.840 0.233 0.000 0.759 32 L CB -0.735 41.444 42.059 0.200 0.000 0.903 32 L HN 0.104 nan 8.230 nan 0.000 0.435 33 A N -1.373 121.641 122.820 0.323 0.000 2.070 33 A HA -0.230 4.092 4.320 0.005 0.000 0.220 33 A C 2.109 179.734 177.584 0.068 0.000 1.159 33 A CA 1.533 53.685 52.037 0.192 0.000 0.656 33 A CB -0.496 18.613 19.000 0.181 0.000 0.800 33 A HN 0.673 nan 8.150 nan 0.000 0.453 34 Q N -0.255 119.601 119.800 0.093 0.000 2.436 34 Q HA -0.032 4.311 4.340 0.005 0.000 0.209 34 Q C 0.181 176.215 176.000 0.057 0.000 0.965 34 Q CA 0.245 56.088 55.803 0.066 0.000 0.910 34 Q CB 0.022 28.807 28.738 0.078 0.000 0.980 34 Q HN 0.738 nan 8.270 nan 0.000 0.491 35 Q N 2.294 122.134 119.800 0.067 0.000 2.313 35 Q HA 0.029 4.372 4.340 0.005 0.000 0.266 35 Q C -0.718 175.297 176.000 0.025 0.000 0.989 35 Q CA -0.405 55.437 55.803 0.065 0.000 0.890 35 Q CB 0.596 29.393 28.738 0.098 0.000 1.200 35 Q HN 0.163 nan 8.270 nan 0.000 0.396 36 D N 0.621 121.043 120.400 0.037 0.000 2.341 36 D HA 0.298 4.941 4.640 0.005 0.000 0.245 36 D C -0.237 176.088 176.300 0.042 0.000 1.106 36 D CA -0.526 53.492 54.000 0.031 0.000 0.905 36 D CB 0.840 41.663 40.800 0.039 0.000 1.202 36 D HN 0.227 nan 8.370 nan 0.000 0.426 37 V N -2.875 117.072 119.914 0.055 0.000 3.001 37 V HA 0.896 5.018 4.120 0.005 0.000 0.314 37 V C -0.246 175.903 176.094 0.091 0.000 1.099 37 V CA -1.412 60.940 62.300 0.086 0.000 0.989 37 V CB 1.324 33.224 31.823 0.129 0.000 1.040 37 V HN 0.894 nan 8.190 nan 0.000 0.434 38 A N 1.923 124.769 122.820 0.044 0.000 2.327 38 A HA 0.864 5.187 4.320 0.005 0.000 0.283 38 A C 0.529 178.018 177.584 -0.158 0.000 1.127 38 A CA -0.023 51.999 52.037 -0.024 0.000 0.810 38 A CB 0.570 19.548 19.000 -0.035 0.000 1.066 38 A HN 2.224 nan 8.150 nan 0.000 0.492 39 A N 4.173 126.872 122.820 -0.201 0.000 2.409 39 A HA 0.605 4.928 4.320 0.005 0.000 0.267 39 A C -1.794 175.538 177.584 -0.421 0.000 1.127 39 A CA -1.146 50.602 52.037 -0.482 0.000 0.795 39 A CB -0.461 18.418 19.000 -0.203 0.000 1.061 39 A HN 0.720 nan 8.150 nan 0.000 0.502 40 P HA 0.366 nan 4.420 nan 0.000 0.276 40 P C 0.426 177.602 177.300 -0.207 0.000 1.252 40 P CA -0.076 62.832 63.100 -0.319 0.000 0.802 40 P CB 0.753 32.258 31.700 -0.324 0.000 1.035 41 G N -0.490 108.232 108.800 -0.131 0.000 2.599 41 G HA2 0.510 4.473 3.960 0.005 0.000 0.264 41 G HA3 0.510 4.473 3.960 0.005 0.000 0.264 41 G C -0.927 173.926 174.900 -0.078 0.000 1.200 41 G CA -0.428 44.619 45.100 -0.087 0.000 0.896 41 G HN 0.672 nan 8.290 nan 0.000 0.536 42 A N 1.513 124.300 122.820 -0.054 0.000 2.330 42 A HA 0.794 5.117 4.320 0.005 0.000 0.313 42 A C -1.763 175.802 177.584 -0.031 0.000 1.124 42 A CA -1.207 50.806 52.037 -0.040 0.000 0.774 42 A CB 1.265 20.249 19.000 -0.028 0.000 1.198 42 A HN 0.633 nan 8.150 nan 0.000 0.465 43 P HA 0.159 nan 4.420 nan 0.000 0.275 43 P C -0.278 177.012 177.300 -0.017 0.000 1.266 43 P CA -0.461 62.627 63.100 -0.021 0.000 0.793 43 P CB 0.477 32.165 31.700 -0.020 0.000 1.074 44 E N -0.251 119.940 120.200 -0.015 0.000 2.465 44 E HA 0.120 4.473 4.350 0.005 0.000 0.260 44 E C 1.204 177.798 176.600 -0.010 0.000 0.980 44 E CA 1.551 57.944 56.400 -0.012 0.000 0.927 44 E CB -0.199 29.494 29.700 -0.011 0.000 0.934 44 E HN 0.786 nan 8.360 nan 0.000 0.459 45 G N 2.529 111.323 108.800 -0.010 0.000 2.175 45 G HA2 -0.236 3.727 3.960 0.005 0.000 0.244 45 G HA3 -0.236 3.727 3.960 0.005 0.000 0.244 45 G C -0.057 174.840 174.900 -0.005 0.000 0.982 45 G CA 0.204 45.300 45.100 -0.006 0.000 0.641 45 G HN 0.467 nan 8.290 nan 0.000 0.527 46 V N 0.803 120.712 119.914 -0.008 0.000 2.680 46 V HA 0.757 4.880 4.120 0.005 0.000 0.309 46 V C 0.201 176.285 176.094 -0.016 0.000 1.052 46 V CA -0.456 61.842 62.300 -0.004 0.000 0.908 46 V CB 1.999 33.823 31.823 0.001 0.000 1.001 46 V HN 0.296 nan 8.190 nan 0.000 0.431 47 S N 2.464 118.152 115.700 -0.019 0.000 2.489 47 S HA 0.745 5.218 4.470 0.005 0.000 0.291 47 S C 0.245 174.845 174.600 -0.000 0.000 1.151 47 S CA -0.357 57.829 58.200 -0.024 0.000 1.082 47 S CB 1.630 64.797 63.200 -0.054 0.000 1.019 47 S HN 1.076 nan 8.310 nan 0.000 0.492 48 A N 3.140 125.958 122.820 -0.005 0.000 2.351 48 A HA 0.607 4.930 4.320 0.005 0.000 0.257 48 A C -0.250 177.355 177.584 0.035 0.000 1.087 48 A CA -0.416 51.624 52.037 0.004 0.000 0.798 48 A CB 0.075 19.064 19.000 -0.019 0.000 1.033 48 A HN 0.822 nan 8.150 nan 0.000 0.488 49 L N 1.621 122.891 121.223 0.077 0.000 2.334 49 L HA 0.380 4.723 4.340 0.005 0.000 0.275 49 L C 1.073 177.997 176.870 0.091 0.000 1.036 49 L CA -0.582 54.331 54.840 0.122 0.000 0.807 49 L CB 1.808 44.015 42.059 0.247 0.000 1.231 49 L HN 0.959 nan 8.230 nan 0.000 0.438 50 S N -0.434 115.314 115.700 0.081 0.000 2.596 50 S HA -0.034 4.439 4.470 0.005 0.000 0.260 50 S C 0.698 175.353 174.600 0.091 0.000 1.336 50 S CA -0.208 58.027 58.200 0.059 0.000 0.993 50 S CB 1.009 64.237 63.200 0.047 0.000 0.923 50 S HN 0.778 nan 8.310 nan 0.000 0.567 51 D N 1.252 121.690 120.400 0.062 0.000 2.116 51 D HA -0.167 4.476 4.640 0.005 0.000 0.193 51 D C 2.023 178.384 176.300 0.102 0.000 0.998 51 D CA 2.069 56.116 54.000 0.077 0.000 0.836 51 D CB -0.579 40.246 40.800 0.042 0.000 0.951 51 D HN 0.686 nan 8.370 nan 0.000 0.449 52 A N -0.164 122.699 122.820 0.071 0.000 1.877 52 A HA -0.212 4.111 4.320 0.005 0.000 0.216 52 A C 2.228 179.850 177.584 0.063 0.000 1.186 52 A CA 1.744 53.815 52.037 0.057 0.000 0.620 52 A CB -0.770 18.254 19.000 0.039 0.000 0.822 52 A HN 0.378 nan 8.150 nan 0.000 0.443 53 Q N -2.084 117.764 119.800 0.080 0.000 2.084 53 Q HA -0.208 4.134 4.340 0.005 0.000 0.202 53 Q C 2.037 178.098 176.000 0.102 0.000 0.978 53 Q CA 1.876 57.727 55.803 0.081 0.000 0.844 53 Q CB -0.349 28.446 28.738 0.095 0.000 0.898 53 Q HN 0.811 nan 8.270 nan 0.000 0.426 54 Y N 1.620 121.950 120.300 0.051 0.000 2.181 54 Y HA -0.194 4.359 4.550 0.005 0.000 0.288 54 Y C 1.933 177.861 175.900 0.046 0.000 1.146 54 Y CA 1.385 59.539 58.100 0.091 0.000 1.164 54 Y CB -0.044 38.462 38.460 0.076 0.000 0.982 54 Y HN 0.132 nan 8.280 nan 0.000 0.515 55 N N 0.201 118.961 118.700 0.099 0.000 2.188 55 N HA -0.209 4.534 4.740 0.005 0.000 0.184 55 N C 1.869 177.313 175.510 -0.110 0.000 1.018 55 N CA 1.459 54.499 53.050 -0.016 0.000 0.858 55 N CB -0.267 38.238 38.487 0.030 0.000 0.989 55 N HN 0.562 nan 8.380 nan 0.000 0.426 56 E N 0.961 121.118 120.200 -0.073 0.000 2.051 56 E HA -0.139 4.214 4.350 0.005 0.000 0.192 56 E C 1.872 178.371 176.600 -0.167 0.000 0.991 56 E CA 1.132 57.480 56.400 -0.087 0.000 0.799 56 E CB 0.015 29.692 29.700 -0.039 0.000 0.748 56 E HN 0.301 nan 8.360 nan 0.000 0.449 57 A N 0.847 123.523 122.820 -0.240 0.000 1.898 57 A HA -0.217 4.106 4.320 0.005 0.000 0.216 57 A C 1.945 179.087 177.584 -0.738 0.000 1.181 57 A CA 1.723 53.505 52.037 -0.427 0.000 0.620 57 A CB -0.784 17.969 19.000 -0.412 0.000 0.819 57 A HN 0.342 nan 8.150 nan 0.000 0.442 58 N N -0.253 118.003 118.700 -0.741 0.000 2.120 58 N HA -0.192 4.551 4.740 0.005 0.000 0.188 58 N C 1.757 176.974 175.510 -0.488 0.000 1.024 58 N CA 1.914 54.537 53.050 -0.712 0.000 0.852 58 N CB -0.225 37.935 38.487 -0.545 0.000 1.003 58 N HN 0.549 nan 8.380 nan 0.000 0.424 59 K N 0.250 120.459 120.400 -0.318 0.000 2.026 59 K HA -0.094 4.228 4.320 0.005 0.000 0.208 59 K C 1.909 178.466 176.600 -0.072 0.000 1.048 59 K CA 1.340 57.532 56.287 -0.158 0.000 0.929 59 K CB -0.179 32.264 32.500 -0.096 0.000 0.713 59 K HN 0.215 nan 8.250 nan 0.000 0.439 60 I N 0.165 120.670 120.570 -0.108 0.000 2.163 60 I HA -0.311 3.861 4.170 0.005 0.000 0.243 60 I C 2.322 178.421 176.117 -0.030 0.000 1.085 60 I CA 1.436 62.697 61.300 -0.066 0.000 1.347 60 I CB -0.433 37.516 38.000 -0.086 0.000 1.044 60 I HN 0.248 nan 8.210 nan 0.000 0.408 61 Y N 1.032 121.219 120.300 -0.188 0.000 2.128 61 Y HA -0.313 4.239 4.550 0.005 0.000 0.284 61 Y C 2.313 178.344 175.900 0.219 0.000 1.154 61 Y CA 1.775 59.851 58.100 -0.040 0.000 1.149 61 Y CB -0.288 38.049 38.460 -0.205 0.000 0.976 61 Y HN -0.019 nan 8.280 nan 0.000 0.505 62 F N 0.629 120.577 119.950 -0.004 0.000 2.186 62 F HA -0.130 4.400 4.527 0.004 0.000 0.299 62 F C 2.334 178.111 175.800 -0.039 0.000 1.090 62 F CA 1.541 59.536 58.000 -0.008 0.000 1.307 62 F CB -0.952 38.074 39.000 0.045 0.000 1.019 62 F HN 0.180 nan 8.300 nan 0.000 0.489 63 E N -0.457 119.840 120.200 0.161 0.000 2.107 63 E HA -0.105 4.248 4.350 0.005 0.000 0.191 63 E C 2.084 178.702 176.600 0.030 0.000 0.982 63 E CA 0.875 57.340 56.400 0.108 0.000 0.809 63 E CB 0.014 29.771 29.700 0.096 0.000 0.756 63 E HN 0.387 nan 8.360 nan 0.000 0.459 64 R N -1.113 119.363 120.500 -0.040 0.000 2.316 64 R HA 0.196 4.539 4.340 0.005 0.000 0.201 64 R C 1.700 177.910 176.300 -0.151 0.000 0.888 64 R CA 0.313 56.361 56.100 -0.087 0.000 1.041 64 R CB 0.569 30.822 30.300 -0.078 0.000 1.115 64 R HN 0.162 nan 8.270 nan 0.000 0.559 65 C N -0.664 118.471 119.300 -0.275 0.000 2.937 65 C HA 0.375 4.838 4.460 0.005 0.000 0.426 65 C C 2.473 177.199 174.990 -0.440 0.000 1.321 65 C CA 0.020 58.824 59.018 -0.356 0.000 2.082 65 C CB 0.328 27.701 27.740 -0.612 0.000 2.834 65 C HN 0.469 nan 8.230 nan 0.000 0.593 66 A N 1.588 124.047 122.820 -0.601 0.000 2.015 66 A HA 0.162 4.485 4.320 0.005 0.000 0.219 66 A C 2.261 179.756 177.584 -0.148 0.000 1.163 66 A CA 1.923 53.754 52.037 -0.343 0.000 0.646 66 A CB -1.063 17.757 19.000 -0.300 0.000 0.806 66 A HN 0.549 nan 8.150 nan 0.000 0.448 67 G N -0.824 107.892 108.800 -0.141 0.000 2.440 67 G HA2 -0.282 3.681 3.960 0.005 0.000 0.218 67 G HA3 -0.282 3.681 3.960 0.005 0.000 0.218 67 G C 1.503 176.332 174.900 -0.118 0.000 1.154 67 G CA 1.481 46.516 45.100 -0.107 0.000 0.767 67 G HN 0.531 nan 8.290 nan 0.000 0.552 68 C N -0.944 118.261 119.300 -0.159 0.000 2.512 68 C HA 0.268 4.731 4.460 0.005 0.000 0.276 68 C C 2.097 176.931 174.990 -0.259 0.000 1.368 68 C CA 0.215 59.082 59.018 -0.251 0.000 1.755 68 C CB -0.624 26.884 27.740 -0.386 0.000 2.008 68 C HN 0.503 nan 8.230 nan 0.000 0.511 69 H N -0.144 118.945 119.070 0.032 0.000 2.874 69 H HA 0.303 4.862 4.556 0.005 0.000 0.264 69 H C 1.236 176.668 175.328 0.174 0.000 1.007 69 H CA 1.159 57.284 56.048 0.128 0.000 1.207 69 H CB 0.454 30.337 29.762 0.201 0.000 1.487 69 H HN 0.491 nan 8.280 nan 0.000 0.505 70 G N 0.843 109.775 108.800 0.220 0.000 2.719 70 G HA2 -0.238 3.725 3.960 0.005 0.000 0.686 70 G HA3 -0.238 3.725 3.960 0.005 0.000 0.686 70 G C 0.994 176.040 174.900 0.244 0.000 1.201 70 G CA -0.030 45.184 45.100 0.191 0.000 0.768 70 G HN 0.273 nan 8.290 nan 0.000 0.629 71 V N -0.149 119.799 119.914 0.057 0.000 2.515 71 V HA 0.044 4.167 4.120 0.005 0.000 0.250 71 V C 2.476 178.630 176.094 0.100 0.000 1.058 71 V CA 2.322 64.595 62.300 -0.045 0.000 1.064 71 V CB -0.619 30.813 31.823 -0.651 0.000 0.675 71 V HN 0.761 nan 8.190 nan 0.000 0.461 72 L N -0.479 120.800 121.223 0.092 0.000 2.591 72 L HA 0.329 4.672 4.340 0.005 0.000 0.228 72 L C 1.419 178.344 176.870 0.091 0.000 1.133 72 L CA 0.194 55.090 54.840 0.094 0.000 0.880 72 L CB -0.364 41.770 42.059 0.124 0.000 1.033 72 L HN 0.332 nan 8.230 nan 0.000 0.450 73 R N -0.655 119.938 120.500 0.155 0.000 3.776 73 R HA -0.153 4.189 4.340 0.005 0.000 0.312 73 R C 0.568 176.936 176.300 0.114 0.000 1.181 73 R CA 0.282 56.485 56.100 0.171 0.000 0.836 73 R CB -1.553 28.791 30.300 0.072 0.000 1.324 73 R HN 0.233 nan 8.270 nan 0.000 0.501 74 K N 0.863 121.307 120.400 0.074 0.000 2.404 74 K HA 0.125 4.448 4.320 0.005 0.000 0.194 74 K C 0.954 177.576 176.600 0.037 0.000 1.023 74 K CA 1.049 57.329 56.287 -0.012 0.000 1.094 74 K CB 0.816 33.212 32.500 -0.174 0.000 0.841 74 K HN 0.569 nan 8.250 nan 0.000 0.523 75 G N 0.169 109.068 108.800 0.164 0.000 2.712 75 G HA2 0.043 4.006 3.960 0.005 0.000 0.686 75 G HA3 0.043 4.006 3.960 0.005 0.000 0.686 75 G C -0.260 174.828 174.900 0.313 0.000 1.181 75 G CA -0.365 44.875 45.100 0.232 0.000 0.762 75 G HN 0.328 nan 8.290 nan 0.000 0.641 76 A N 0.411 123.368 122.820 0.229 0.000 2.597 76 A HA 0.898 5.220 4.320 0.005 0.000 0.191 76 A C 2.210 179.884 177.584 0.148 0.000 1.336 76 A CA 1.236 53.435 52.037 0.269 0.000 1.516 76 A CB -0.592 18.495 19.000 0.146 0.000 1.849 76 A HN 2.347 nan 8.150 nan 0.000 0.640 77 T N -1.414 113.039 114.554 -0.168 0.000 2.995 77 T HA 0.326 4.679 4.350 0.005 0.000 0.269 77 T C 0.970 175.519 174.700 -0.252 0.000 1.091 77 T CA 1.102 62.925 62.100 -0.463 0.000 1.128 77 T CB -0.563 68.003 68.868 -0.505 0.000 0.891 77 T HN 1.065 nan 8.240 nan 0.000 0.492 78 G N 1.491 110.149 108.800 -0.238 0.000 2.410 78 G HA2 0.547 4.510 3.960 0.005 0.000 0.330 78 G HA3 0.547 4.510 3.960 0.005 0.000 0.330 78 G C -0.430 174.492 174.900 0.038 0.000 1.142 78 G CA -1.185 43.770 45.100 -0.241 0.000 0.902 78 G HN 0.653 nan 8.290 nan 0.000 0.491 79 K N 0.097 120.618 120.400 0.202 0.000 2.187 79 K HA 0.560 4.883 4.320 0.005 0.000 0.247 79 K C 0.435 177.210 176.600 0.292 0.000 1.019 79 K CA -0.150 56.265 56.287 0.213 0.000 0.893 79 K CB 0.561 33.144 32.500 0.137 0.000 1.025 79 K HN 0.475 nan 8.250 nan 0.000 0.500 80 A N 1.448 124.369 122.820 0.169 0.000 2.483 80 A HA 0.214 4.536 4.320 0.005 0.000 0.238 80 A C 0.255 177.887 177.584 0.080 0.000 1.070 80 A CA -0.314 51.800 52.037 0.129 0.000 0.770 80 A CB -0.281 18.760 19.000 0.069 0.000 1.008 80 A HN 0.709 nan 8.150 nan 0.000 0.497 81 L N 2.340 123.597 121.223 0.057 0.000 3.291 81 L HA 0.155 4.497 4.340 0.005 0.000 0.307 81 L C 0.579 177.441 176.870 -0.014 0.000 1.303 81 L CA -0.286 54.549 54.840 -0.009 0.000 0.949 81 L CB 0.041 42.066 42.059 -0.058 0.000 1.375 81 L HN 0.887 nan 8.230 nan 0.000 0.596 82 T N -3.469 111.083 114.554 -0.003 0.000 2.860 82 T HA 0.170 4.522 4.350 0.005 0.000 0.299 82 T C -1.620 173.064 174.700 -0.027 0.000 1.045 82 T CA -1.336 60.754 62.100 -0.017 0.000 1.071 82 T CB 0.805 69.671 68.868 -0.003 0.000 0.985 82 T HN -0.092 nan 8.240 nan 0.000 0.537 83 P HA -0.140 nan 4.420 nan 0.000 0.218 83 P C 1.423 178.713 177.300 -0.018 0.000 1.148 83 P CA 1.227 64.309 63.100 -0.030 0.000 0.822 83 P CB -0.060 31.618 31.700 -0.036 0.000 0.784 84 D N 0.300 120.690 120.400 -0.016 0.000 2.104 84 D HA -0.178 4.465 4.640 0.005 0.000 0.194 84 D C 1.954 178.244 176.300 -0.017 0.000 0.994 84 D CA 1.285 55.277 54.000 -0.013 0.000 0.830 84 D CB -1.114 39.679 40.800 -0.011 0.000 0.959 84 D HN 0.215 nan 8.370 nan 0.000 0.452 85 L N 0.695 121.906 121.223 -0.020 0.000 2.072 85 L HA -0.078 4.264 4.340 0.005 0.000 0.205 85 L C 2.988 179.838 176.870 -0.034 0.000 1.079 85 L CA 1.684 56.507 54.840 -0.029 0.000 0.752 85 L CB -0.973 41.070 42.059 -0.026 0.000 0.906 85 L HN 0.215 nan 8.230 nan 0.000 0.436 86 T N -2.579 111.961 114.554 -0.022 0.000 2.904 86 T HA -0.143 4.210 4.350 0.005 0.000 0.267 86 T C 1.986 176.694 174.700 0.013 0.000 1.059 86 T CA 0.689 62.785 62.100 -0.006 0.000 1.137 86 T CB -0.232 68.636 68.868 -0.000 0.000 0.879 86 T HN 0.224 nan 8.240 nan 0.000 0.467 87 R N 1.083 121.588 120.500 0.009 0.000 2.115 87 R HA 0.001 4.344 4.340 0.005 0.000 0.230 87 R C 2.127 178.433 176.300 0.011 0.000 1.111 87 R CA 1.422 57.534 56.100 0.021 0.000 0.976 87 R CB -0.226 30.081 30.300 0.012 0.000 0.870 87 R HN 0.414 nan 8.270 nan 0.000 0.445 88 D N 0.623 121.016 120.400 -0.012 0.000 2.144 88 D HA -0.099 4.544 4.640 0.005 0.000 0.200 88 D C 1.921 178.191 176.300 -0.050 0.000 0.978 88 D CA 0.977 54.959 54.000 -0.030 0.000 0.833 88 D CB -0.014 40.761 40.800 -0.043 0.000 0.961 88 D HN 0.173 nan 8.370 nan 0.000 0.470 89 L N 0.065 121.247 121.223 -0.067 0.000 2.027 89 L HA 0.058 4.401 4.340 0.005 0.000 0.206 89 L C 1.283 178.159 176.870 0.010 0.000 1.074 89 L CA 0.897 55.665 54.840 -0.120 0.000 0.745 89 L CB -0.675 41.304 42.059 -0.133 0.000 0.898 89 L HN 0.133 nan 8.230 nan 0.000 0.433 90 G N -1.715 107.129 108.800 0.072 0.000 2.692 90 G HA2 -0.293 3.669 3.960 0.005 0.000 0.686 90 G HA3 -0.293 3.669 3.960 0.005 0.000 0.686 90 G C -0.078 174.937 174.900 0.192 0.000 1.243 90 G CA -0.115 45.064 45.100 0.132 0.000 0.782 90 G HN 0.091 nan 8.290 nan 0.000 0.625 91 F N 0.979 120.975 119.950 0.076 0.000 2.091 91 F HA -0.120 4.409 4.527 0.005 0.000 0.299 91 F C 2.325 178.179 175.800 0.090 0.000 1.103 91 F CA 2.778 60.823 58.000 0.076 0.000 1.228 91 F CB -0.009 39.023 39.000 0.054 0.000 0.984 91 F HN 0.527 nan 8.300 nan 0.000 0.477 92 D N -0.753 119.770 120.400 0.206 0.000 2.104 92 D HA -0.272 4.371 4.640 0.005 0.000 0.194 92 D C 1.981 178.293 176.300 0.019 0.000 0.994 92 D CA 1.892 55.948 54.000 0.094 0.000 0.830 92 D CB -0.977 39.924 40.800 0.169 0.000 0.959 92 D HN 0.501 nan 8.370 nan 0.000 0.452 93 Y N 1.357 121.648 120.300 -0.015 0.000 2.145 93 Y HA -0.167 4.386 4.550 0.005 0.000 0.286 93 Y C 2.213 178.105 175.900 -0.015 0.000 1.145 93 Y CA 1.354 59.456 58.100 0.004 0.000 1.148 93 Y CB -0.427 38.037 38.460 0.007 0.000 0.981 93 Y HN -0.087 nan 8.280 nan 0.000 0.507 94 L N 0.300 121.496 121.223 -0.045 0.000 2.042 94 L HA -0.279 4.064 4.340 0.005 0.000 0.210 94 L C 2.755 179.481 176.870 -0.241 0.000 1.076 94 L CA 1.992 56.739 54.840 -0.154 0.000 0.749 94 L CB -0.783 41.225 42.059 -0.086 0.000 0.893 94 L HN 0.351 nan 8.230 nan 0.000 0.432 95 Q N -0.190 119.359 119.800 -0.419 0.000 2.050 95 Q HA -0.204 4.138 4.340 0.005 0.000 0.202 95 Q C 2.303 178.176 176.000 -0.212 0.000 0.980 95 Q CA 2.137 57.698 55.803 -0.404 0.000 0.840 95 Q CB 0.060 28.422 28.738 -0.626 0.000 0.898 95 Q HN 0.432 nan 8.270 nan 0.000 0.424 96 S N 0.127 115.717 115.700 -0.183 0.000 2.368 96 S HA -0.124 4.349 4.470 0.005 0.000 0.225 96 S C 1.420 175.966 174.600 -0.090 0.000 1.030 96 S CA 1.099 59.219 58.200 -0.133 0.000 0.999 96 S CB -0.408 62.745 63.200 -0.079 0.000 0.844 96 S HN 0.443 nan 8.310 nan 0.000 0.459 97 F N 1.981 121.750 119.950 -0.302 0.000 2.113 97 F HA 0.026 4.556 4.527 0.004 0.000 0.297 97 F C 1.790 177.585 175.800 -0.009 0.000 1.103 97 F CA 1.210 59.081 58.000 -0.215 0.000 1.248 97 F CB -0.210 38.458 39.000 -0.553 0.000 0.999 97 F HN 0.097 nan 8.300 nan 0.000 0.475 98 I N -0.770 119.904 120.570 0.173 0.000 2.830 98 I HA -0.208 3.965 4.170 0.005 0.000 0.263 98 I C 1.958 178.103 176.117 0.046 0.000 1.230 98 I CA 0.923 62.325 61.300 0.170 0.000 1.480 98 I CB -0.697 37.377 38.000 0.124 0.000 1.095 98 I HN 0.081 nan 8.210 nan 0.000 0.455 99 T N 0.177 114.688 114.554 -0.072 0.000 2.803 99 T HA -0.206 4.147 4.350 0.005 0.000 0.269 99 T C 1.489 176.066 174.700 -0.205 0.000 1.052 99 T CA 1.497 63.489 62.100 -0.179 0.000 1.136 99 T CB -0.332 68.355 68.868 -0.300 0.000 0.864 99 T HN 0.324 nan 8.240 nan 0.000 0.467 100 Y N 1.329 121.568 120.300 -0.102 0.000 2.616 100 Y HA 0.261 4.814 4.550 0.004 0.000 0.296 100 Y C 1.855 177.720 175.900 -0.058 0.000 1.154 100 Y CA 0.317 58.354 58.100 -0.105 0.000 1.325 100 Y CB -0.650 37.697 38.460 -0.190 0.000 1.007 100 Y HN 0.397 nan 8.280 nan 0.000 0.542 101 G N 0.048 108.906 108.800 0.097 0.000 2.681 101 G HA2 -0.047 3.916 3.960 0.005 0.000 0.220 101 G HA3 -0.047 3.916 3.960 0.005 0.000 0.220 101 G C -0.397 174.521 174.900 0.030 0.000 1.353 101 G CA -0.405 44.721 45.100 0.044 0.000 0.872 101 G HN 0.698 nan 8.290 nan 0.000 0.557 102 S N -0.993 114.654 115.700 -0.089 0.000 2.651 102 S HA 0.849 5.322 4.470 0.005 0.000 0.279 102 S C -3.330 171.159 174.600 -0.185 0.000 1.148 102 S CA -1.009 57.021 58.200 -0.283 0.000 0.837 102 S CB 2.362 65.345 63.200 -0.363 0.000 1.138 102 S HN 0.685 nan 8.310 nan 0.000 0.478 103 P HA 0.318 nan 4.420 nan 0.000 0.265 103 P C -0.407 176.815 177.300 -0.130 0.000 1.193 103 P CA 0.128 63.148 63.100 -0.133 0.000 0.765 103 P CB 0.136 31.762 31.700 -0.123 0.000 0.823 104 A N 3.457 126.207 122.820 -0.117 0.000 2.466 104 A HA 0.486 4.809 4.320 0.005 0.000 0.238 104 A C 1.116 178.602 177.584 -0.162 0.000 1.074 104 A CA 0.541 52.498 52.037 -0.133 0.000 0.774 104 A CB -0.378 18.546 19.000 -0.126 0.000 1.015 104 A HN 0.601 nan 8.150 nan 0.000 0.498 105 G N 0.464 109.137 108.800 -0.212 0.000 2.531 105 G HA2 0.487 4.450 3.960 0.005 0.000 0.253 105 G HA3 0.487 4.450 3.960 0.005 0.000 0.253 105 G C 0.311 174.998 174.900 -0.354 0.000 1.439 105 G CA -0.866 44.060 45.100 -0.290 0.000 1.056 105 G HN 0.602 nan 8.290 nan 0.000 0.555 106 M N 1.636 120.905 119.600 -0.551 0.000 2.245 106 M HA 0.209 4.692 4.480 0.005 0.000 0.330 106 M C -1.944 174.061 176.300 -0.492 0.000 1.098 106 M CA -2.053 52.983 55.300 -0.440 0.000 1.172 106 M CB 0.343 32.741 32.600 -0.335 0.000 1.467 106 M HN 0.197 nan 8.290 nan 0.000 0.454 107 P HA 0.124 nan 4.420 nan 0.000 0.270 107 P C 0.062 177.090 177.300 -0.452 0.000 1.223 107 P CA 0.114 62.992 63.100 -0.369 0.000 0.785 107 P CB 0.456 31.937 31.700 -0.365 0.000 0.923 108 N N -0.693 117.795 118.700 -0.353 0.000 2.811 108 N HA -0.175 4.567 4.740 0.005 0.000 0.211 108 N C 0.764 176.330 175.510 0.094 0.000 0.990 108 N CA 2.494 55.420 53.050 -0.206 0.000 1.362 108 N CB -1.557 36.641 38.487 -0.482 0.000 0.940 108 N HN 0.802 nan 8.380 nan 0.000 0.572 109 W N 0.358 121.676 121.300 0.029 0.000 2.701 109 W HA 0.547 5.209 4.660 0.004 0.000 0.254 109 W C 0.548 177.112 176.519 0.074 0.000 1.017 109 W CA 0.463 57.862 57.345 0.091 0.000 1.326 109 W CB -0.461 29.110 29.460 0.185 0.000 0.881 109 W HN 0.082 nan 8.180 nan 0.000 0.647 110 G N 2.084 110.513 108.800 -0.618 0.000 2.616 110 G HA2 0.308 4.271 3.960 0.005 0.000 0.268 110 G HA3 0.308 4.271 3.960 0.005 0.000 0.268 110 G C -0.256 174.491 174.900 -0.255 0.000 1.213 110 G CA -0.041 44.667 45.100 -0.652 0.000 0.926 110 G HN -0.051 nan 8.290 nan 0.000 0.523 111 T N -1.655 112.781 114.554 -0.196 0.000 2.860 111 T HA 0.231 4.583 4.350 0.005 0.000 0.299 111 T C 1.895 176.521 174.700 -0.124 0.000 1.045 111 T CA 0.477 62.511 62.100 -0.110 0.000 1.071 111 T CB 0.617 69.436 68.868 -0.082 0.000 0.985 111 T HN 0.742 nan 8.240 nan 0.000 0.537 112 S N 1.995 117.643 115.700 -0.087 0.000 2.470 112 S HA 0.233 4.706 4.470 0.005 0.000 0.225 112 S C 1.834 176.387 174.600 -0.078 0.000 1.006 112 S CA 0.696 58.847 58.200 -0.082 0.000 0.934 112 S CB -0.395 62.769 63.200 -0.060 0.000 0.778 112 S HN 1.677 nan 8.310 nan 0.000 0.517 113 G N 0.881 109.636 108.800 -0.075 0.000 2.179 113 G HA2 -0.250 3.713 3.960 0.005 0.000 0.260 113 G HA3 -0.250 3.713 3.960 0.005 0.000 0.260 113 G C -0.263 174.606 174.900 -0.051 0.000 0.977 113 G CA 0.243 45.298 45.100 -0.074 0.000 0.641 113 G HN 0.627 nan 8.290 nan 0.000 0.533 114 E N -0.196 119.979 120.200 -0.042 0.000 2.301 114 E HA 0.647 4.999 4.350 0.005 0.000 0.275 114 E C 0.160 176.744 176.600 -0.027 0.000 1.030 114 E CA -0.281 56.100 56.400 -0.032 0.000 0.852 114 E CB 1.232 30.913 29.700 -0.031 0.000 1.060 114 E HN 0.333 nan 8.360 nan 0.000 0.401 115 L N 1.829 123.038 121.223 -0.023 0.000 2.381 115 L HA 0.322 4.665 4.340 0.005 0.000 0.268 115 L C 0.228 177.085 176.870 -0.022 0.000 0.997 115 L CA -0.862 53.967 54.840 -0.020 0.000 0.818 115 L CB 2.025 44.076 42.059 -0.013 0.000 1.310 115 L HN 0.583 nan 8.230 nan 0.000 0.416 116 S N 1.171 116.861 115.700 -0.017 0.000 2.624 116 S HA 0.388 4.860 4.470 0.005 0.000 0.263 116 S C 1.166 175.758 174.600 -0.014 0.000 1.287 116 S CA 0.014 58.205 58.200 -0.015 0.000 0.990 116 S CB 1.525 64.720 63.200 -0.009 0.000 0.950 116 S HN 0.722 nan 8.310 nan 0.000 0.561 117 A N 0.381 123.193 122.820 -0.013 0.000 1.908 117 A HA -0.119 4.204 4.320 0.005 0.000 0.218 117 A C 2.160 179.753 177.584 0.014 0.000 1.181 117 A CA 1.815 53.848 52.037 -0.006 0.000 0.627 117 A CB -1.268 17.730 19.000 -0.005 0.000 0.818 117 A HN 1.013 nan 8.150 nan 0.000 0.445 118 E N -0.408 119.802 120.200 0.017 0.000 2.077 118 E HA -0.253 4.100 4.350 0.005 0.000 0.193 118 E C 2.173 178.791 176.600 0.030 0.000 0.989 118 E CA 1.396 57.813 56.400 0.029 0.000 0.800 118 E CB -0.165 29.548 29.700 0.021 0.000 0.746 118 E HN 0.766 nan 8.360 nan 0.000 0.452 119 Q N -0.144 119.665 119.800 0.014 0.000 2.124 119 Q HA -0.134 4.208 4.340 0.005 0.000 0.202 119 Q C 2.321 178.330 176.000 0.015 0.000 0.977 119 Q CA 1.463 57.271 55.803 0.007 0.000 0.850 119 Q CB 0.107 28.841 28.738 -0.006 0.000 0.901 119 Q HN 0.208 nan 8.270 nan 0.000 0.429 120 V N 1.571 121.492 119.914 0.012 0.000 2.287 120 V HA -0.277 3.846 4.120 0.005 0.000 0.248 120 V C 1.494 177.602 176.094 0.022 0.000 1.053 120 V CA 2.094 64.397 62.300 0.005 0.000 1.027 120 V CB -0.483 31.326 31.823 -0.023 0.000 0.646 120 V HN 0.342 nan 8.190 nan 0.000 0.447 121 D N -0.099 120.341 120.400 0.067 0.000 2.144 121 D HA -0.108 4.535 4.640 0.005 0.000 0.199 121 D C 2.145 178.562 176.300 0.194 0.000 0.984 121 D CA 1.035 55.140 54.000 0.175 0.000 0.834 121 D CB -0.289 40.650 40.800 0.232 0.000 0.955 121 D HN 0.330 nan 8.370 nan 0.000 0.465 122 L N 0.018 121.313 121.223 0.120 0.000 2.012 122 L HA -0.189 4.154 4.340 0.005 0.000 0.210 122 L C 2.381 179.322 176.870 0.118 0.000 1.073 122 L CA 0.818 55.722 54.840 0.107 0.000 0.748 122 L CB -0.317 41.767 42.059 0.041 0.000 0.891 122 L HN 0.063 nan 8.230 nan 0.000 0.431 123 M N -0.593 119.054 119.600 0.078 0.000 2.117 123 M HA -0.133 4.349 4.480 0.005 0.000 0.262 123 M C 2.585 178.976 176.300 0.151 0.000 1.065 123 M CA 1.938 57.295 55.300 0.094 0.000 1.114 123 M CB -1.554 31.088 32.600 0.069 0.000 1.361 123 M HN 0.275 nan 8.290 nan 0.000 0.408 124 A N 0.819 123.696 122.820 0.095 0.000 1.902 124 A HA -0.182 4.141 4.320 0.005 0.000 0.217 124 A C 2.112 179.824 177.584 0.213 0.000 1.181 124 A CA 1.824 53.892 52.037 0.051 0.000 0.623 124 A CB -0.768 18.075 19.000 -0.263 0.000 0.818 124 A HN 0.500 nan 8.150 nan 0.000 0.443 125 N N -1.568 117.321 118.700 0.315 0.000 2.188 125 N HA -0.155 4.588 4.740 0.005 0.000 0.184 125 N C 1.602 177.249 175.510 0.228 0.000 1.018 125 N CA 1.620 54.848 53.050 0.297 0.000 0.858 125 N CB -0.552 38.092 38.487 0.261 0.000 0.989 125 N HN 0.690 nan 8.380 nan 0.000 0.426 126 Y N 1.778 122.123 120.300 0.076 0.000 2.181 126 Y HA -0.064 4.489 4.550 0.005 0.000 0.288 126 Y C 2.125 178.024 175.900 -0.003 0.000 1.146 126 Y CA 1.293 59.399 58.100 0.010 0.000 1.164 126 Y CB -0.337 38.048 38.460 -0.125 0.000 0.982 126 Y HN -0.030 nan 8.280 nan 0.000 0.515 127 L N -0.179 121.110 121.223 0.110 0.000 2.275 127 L HA -0.185 4.158 4.340 0.005 0.000 0.215 127 L C 1.884 178.734 176.870 -0.033 0.000 1.119 127 L CA 0.789 55.625 54.840 -0.006 0.000 0.790 127 L CB -0.376 41.718 42.059 0.059 0.000 0.919 127 L HN 0.326 nan 8.230 nan 0.000 0.443 128 L N -0.753 120.484 121.223 0.024 0.000 2.558 128 L HA 0.076 4.418 4.340 0.005 0.000 0.225 128 L C 0.744 177.607 176.870 -0.012 0.000 1.128 128 L CA 0.013 54.869 54.840 0.027 0.000 0.868 128 L CB 0.019 42.132 42.059 0.090 0.000 1.006 128 L HN 0.163 nan 8.230 nan 0.000 0.454 129 L N -0.924 120.269 121.223 -0.049 0.000 2.387 129 L HA 0.268 4.611 4.340 0.005 0.000 0.266 129 L C -0.119 176.685 176.870 -0.109 0.000 1.059 129 L CA -0.671 54.132 54.840 -0.061 0.000 0.801 129 L CB 0.832 42.888 42.059 -0.004 0.000 1.223 129 L HN -0.060 nan 8.230 nan 0.000 0.456 130 D N 2.288 122.632 120.400 -0.093 0.000 2.316 130 D HA 0.250 4.893 4.640 0.005 0.000 0.245 130 D C -2.180 174.069 176.300 -0.086 0.000 1.171 130 D CA -0.848 53.101 54.000 -0.084 0.000 0.856 130 D CB 1.229 41.992 40.800 -0.062 0.000 1.090 130 D HN 0.256 nan 8.370 nan 0.000 0.476 131 P HA 0.320 nan 4.420 nan 0.000 0.281 131 P C -0.977 176.335 177.300 0.020 0.000 1.249 131 P CA -0.578 62.506 63.100 -0.026 0.000 0.810 131 P CB 1.369 33.033 31.700 -0.060 0.000 1.008 132 A N 1.687 124.543 122.820 0.061 0.000 2.264 132 A HA 0.664 4.987 4.320 0.005 0.000 0.304 132 A C 0.044 177.686 177.584 0.096 0.000 1.100 132 A CA -0.588 51.490 52.037 0.068 0.000 0.839 132 A CB 0.309 19.348 19.000 0.065 0.000 1.121 132 A HN 0.621 nan 8.150 nan 0.000 0.496 133 A N 1.706 124.594 122.820 0.113 0.000 2.331 133 A HA 0.649 4.972 4.320 0.005 0.000 0.283 133 A C -2.286 175.372 177.584 0.122 0.000 1.142 133 A CA -1.359 50.755 52.037 0.129 0.000 0.812 133 A CB -0.598 18.562 19.000 0.267 0.000 1.074 133 A HN 0.628 nan 8.150 nan 0.000 0.497 134 P HA 0.255 nan 4.420 nan 0.000 0.269 134 P C -2.515 174.986 177.300 0.335 0.000 1.217 134 P CA -0.766 62.343 63.100 0.015 0.000 0.783 134 P CB -0.425 31.020 31.700 -0.425 0.000 0.898 135 P HA 0.045 nan 4.420 nan 0.000 0.267 135 P C 0.052 177.664 177.300 0.521 0.000 1.200 135 P CA 0.333 63.650 63.100 0.362 0.000 0.772 135 P CB 0.366 32.231 31.700 0.274 0.000 0.855 136 E N 0.961 121.363 120.200 0.337 0.000 2.376 136 E HA 0.283 4.636 4.350 0.005 0.000 0.254 136 E C -0.782 175.970 176.600 0.253 0.000 1.213 136 E CA 0.059 56.596 56.400 0.228 0.000 0.945 136 E CB 0.352 30.116 29.700 0.105 0.000 1.057 136 E HN 0.348 nan 8.360 nan 0.000 0.479 137 F N 0.153 120.112 119.950 0.015 0.000 3.090 137 F HA 0.378 4.908 4.527 0.005 0.000 0.381 137 F C 0.071 175.853 175.800 -0.030 0.000 1.231 137 F CA -0.307 57.702 58.000 0.015 0.000 1.177 137 F CB 0.687 39.706 39.000 0.032 0.000 1.598 137 F HN 0.406 nan 8.300 nan 0.000 0.589 138 G N 2.576 111.292 108.800 -0.140 0.000 2.702 138 G HA2 0.291 4.254 3.960 0.005 0.000 0.254 138 G HA3 0.291 4.254 3.960 0.005 0.000 0.254 138 G C 0.656 175.477 174.900 -0.131 0.000 1.380 138 G CA -0.520 44.525 45.100 -0.092 0.000 1.042 138 G HN 0.543 nan 8.290 nan 0.000 0.557 139 M N -0.212 119.331 119.600 -0.094 0.000 2.108 139 M HA 0.004 4.487 4.480 0.005 0.000 0.261 139 M C 2.313 178.558 176.300 -0.092 0.000 1.066 139 M CA 1.915 57.165 55.300 -0.084 0.000 1.107 139 M CB -0.387 32.171 32.600 -0.071 0.000 1.356 139 M HN 0.601 nan 8.290 nan 0.000 0.406 140 K N -0.523 119.813 120.400 -0.106 0.000 2.026 140 K HA -0.220 4.103 4.320 0.005 0.000 0.208 140 K C 1.648 178.165 176.600 -0.138 0.000 1.048 140 K CA 1.989 58.221 56.287 -0.092 0.000 0.929 140 K CB -0.074 32.376 32.500 -0.083 0.000 0.713 140 K HN 0.317 nan 8.250 nan 0.000 0.439 141 E N 0.498 120.518 120.200 -0.299 0.000 2.072 141 E HA -0.135 4.218 4.350 0.005 0.000 0.191 141 E C 1.994 178.417 176.600 -0.295 0.000 0.985 141 E CA 1.577 57.675 56.400 -0.502 0.000 0.801 141 E CB -0.104 28.839 29.700 -1.262 0.000 0.750 141 E HN 0.334 nan 8.360 nan 0.000 0.452 142 M N -0.029 119.472 119.600 -0.166 0.000 2.086 142 M HA -0.141 4.342 4.480 0.005 0.000 0.261 142 M C 2.216 178.588 176.300 0.121 0.000 1.067 142 M CA 1.530 56.900 55.300 0.116 0.000 1.116 142 M CB -0.237 32.414 32.600 0.085 0.000 1.348 142 M HN -0.008 nan 8.290 nan 0.000 0.407 143 R N -0.078 120.468 120.500 0.077 0.000 2.120 143 R HA -0.156 4.187 4.340 0.005 0.000 0.234 143 R C 2.087 178.510 176.300 0.205 0.000 1.123 143 R CA 1.322 57.539 56.100 0.195 0.000 0.975 143 R CB -0.363 30.023 30.300 0.143 0.000 0.866 143 R HN 0.483 nan 8.270 nan 0.000 0.446 144 E N 0.661 120.922 120.200 0.103 0.000 2.110 144 E HA -0.176 4.177 4.350 0.005 0.000 0.193 144 E C 1.639 178.314 176.600 0.125 0.000 0.988 144 E CA 1.620 58.072 56.400 0.087 0.000 0.804 144 E CB 0.102 29.822 29.700 0.034 0.000 0.745 144 E HN 0.315 nan 8.360 nan 0.000 0.458 145 S N -0.643 115.161 115.700 0.173 0.000 2.528 145 S HA -0.082 4.391 4.470 0.005 0.000 0.219 145 S C 0.290 175.029 174.600 0.232 0.000 0.985 145 S CA -0.470 57.850 58.200 0.200 0.000 0.914 145 S CB -0.242 63.111 63.200 0.254 0.000 0.776 145 S HN 0.381 nan 8.310 nan 0.000 0.526 146 W N 3.899 125.218 121.300 0.031 0.000 2.419 146 W HA 0.498 5.160 4.660 0.004 0.000 0.312 146 W C -0.816 175.681 176.519 -0.038 0.000 1.323 146 W CA -1.152 56.191 57.345 -0.002 0.000 1.293 146 W CB 0.315 29.774 29.460 -0.002 0.000 1.324 146 W HN -0.143 nan 8.180 nan 0.000 0.512 147 K N 6.006 126.252 120.400 -0.256 0.000 2.426 147 K HA 0.383 4.706 4.320 0.005 0.000 0.254 147 K C -1.422 174.767 176.600 -0.685 0.000 0.936 147 K CA -1.031 54.961 56.287 -0.492 0.000 0.801 147 K CB 1.818 34.139 32.500 -0.299 0.000 1.139 147 K HN 0.204 nan 8.250 nan 0.000 0.424 148 V N 5.285 124.792 119.914 -0.678 0.000 2.304 148 V HA 0.118 4.241 4.120 0.005 0.000 0.269 148 V C 1.129 177.038 176.094 -0.308 0.000 1.036 148 V CA -0.488 61.537 62.300 -0.457 0.000 0.840 148 V CB 0.477 32.079 31.823 -0.368 0.000 1.036 148 V HN 0.678 nan 8.190 nan 0.000 0.466 149 H N 3.166 122.187 119.070 -0.083 0.000 2.372 149 H HA 0.127 4.686 4.556 0.004 0.000 0.301 149 H C 0.445 175.747 175.328 -0.044 0.000 1.065 149 H CA 1.020 57.035 56.048 -0.055 0.000 1.364 149 H CB 0.518 30.263 29.762 -0.029 0.000 1.406 149 H HN 0.400 nan 8.280 nan 0.000 0.521 150 V N 1.513 121.470 119.914 0.070 0.000 2.380 150 V HA 0.491 4.613 4.120 0.005 0.000 0.286 150 V C 0.249 176.347 176.094 0.006 0.000 1.015 150 V CA -1.041 61.282 62.300 0.037 0.000 0.834 150 V CB 1.124 32.977 31.823 0.050 0.000 1.009 150 V HN 0.363 nan 8.190 nan 0.000 0.428 151 A N 6.684 129.500 122.820 -0.008 0.000 2.466 151 A HA 0.457 4.780 4.320 0.005 0.000 0.238 151 A C -1.176 176.414 177.584 0.010 0.000 1.074 151 A CA -0.684 51.346 52.037 -0.012 0.000 0.774 151 A CB -0.008 18.982 19.000 -0.017 0.000 1.015 151 A HN 0.664 nan 8.150 nan 0.000 0.498 152 P HA -0.224 nan 4.420 nan 0.000 0.216 152 P C 1.301 178.622 177.300 0.036 0.000 1.153 152 P CA 1.737 64.854 63.100 0.029 0.000 0.858 152 P CB 0.058 31.769 31.700 0.019 0.000 0.789 153 E N -0.532 119.683 120.200 0.024 0.000 2.338 153 E HA -0.178 4.175 4.350 0.005 0.000 0.197 153 E C 0.574 177.189 176.600 0.026 0.000 1.007 153 E CA 1.223 57.637 56.400 0.024 0.000 0.849 153 E CB -0.887 28.822 29.700 0.015 0.000 0.774 153 E HN 0.292 nan 8.360 nan 0.000 0.506 154 D N 0.764 121.180 120.400 0.025 0.000 2.349 154 D HA 0.111 4.753 4.640 0.005 0.000 0.214 154 D C 0.345 176.666 176.300 0.036 0.000 1.063 154 D CA 0.001 54.016 54.000 0.025 0.000 0.847 154 D CB 0.352 41.162 40.800 0.017 0.000 0.933 154 D HN 0.148 nan 8.370 nan 0.000 0.513 155 R N 1.303 121.833 120.500 0.051 0.000 2.543 155 R HA 0.379 4.721 4.340 0.005 0.000 0.268 155 R C -2.184 174.167 176.300 0.084 0.000 1.067 155 R CA -1.423 54.719 56.100 0.071 0.000 1.142 155 R CB 0.056 30.413 30.300 0.095 0.000 1.110 155 R HN -0.085 nan 8.270 nan 0.000 0.549 156 P HA 0.004 nan 4.420 nan 0.000 0.270 156 P C 0.280 177.703 177.300 0.205 0.000 1.223 156 P CA -0.016 63.159 63.100 0.124 0.000 0.785 156 P CB 0.517 32.291 31.700 0.123 0.000 0.923 157 T N -3.363 111.284 114.554 0.156 0.000 3.054 157 T HA 0.157 4.510 4.350 0.005 0.000 0.255 157 T C 0.460 175.261 174.700 0.168 0.000 1.035 157 T CA -0.088 62.127 62.100 0.193 0.000 0.941 157 T CB -0.173 68.750 68.868 0.092 0.000 1.026 157 T HN 0.659 nan 8.240 nan 0.000 0.533 158 Q N -0.205 119.566 119.800 -0.048 0.000 2.575 158 Q HA 0.351 4.694 4.340 0.005 0.000 0.290 158 Q C -1.373 174.160 176.000 -0.777 0.000 0.963 158 Q CA -1.168 54.263 55.803 -0.620 0.000 0.783 158 Q CB 1.057 29.556 28.738 -0.398 0.000 1.467 158 Q HN 0.154 nan 8.270 nan 0.000 0.402 159 Q N 0.509 119.528 119.800 -1.302 0.000 2.274 159 Q HA -0.027 4.316 4.340 0.005 0.000 0.280 159 Q C -0.295 175.456 176.000 -0.414 0.000 1.047 159 Q CA 0.705 55.962 55.803 -0.911 0.000 0.907 159 Q CB 0.538 28.748 28.738 -0.879 0.000 1.171 159 Q HN 0.709 nan 8.270 nan 0.000 0.381 160 E N 2.707 122.752 120.200 -0.259 0.000 2.501 160 E HA 0.039 4.392 4.350 0.005 0.000 0.201 160 E C -0.688 175.800 176.600 -0.188 0.000 1.016 160 E CA -0.112 56.180 56.400 -0.181 0.000 0.920 160 E CB 0.396 30.028 29.700 -0.115 0.000 1.023 160 E HN 0.638 nan 8.360 nan 0.000 0.474 161 N N -0.190 118.355 118.700 -0.259 0.000 2.457 161 N HA 0.089 4.832 4.740 0.005 0.000 0.290 161 N C -0.217 175.197 175.510 -0.161 0.000 1.232 161 N CA -0.735 52.134 53.050 -0.302 0.000 0.852 161 N CB 0.811 38.848 38.487 -0.750 0.000 1.313 161 N HN -0.229 nan 8.380 nan 0.000 0.522 162 D N -2.077 118.330 120.400 0.011 0.000 2.388 162 D HA 0.109 4.751 4.640 0.005 0.000 0.221 162 D C -0.798 175.655 176.300 0.255 0.000 1.133 162 D CA -0.534 53.527 54.000 0.102 0.000 0.831 162 D CB -0.294 40.566 40.800 0.100 0.000 0.962 162 D HN 0.361 nan 8.370 nan 0.000 0.502 163 W N 1.001 122.296 121.300 -0.009 0.000 2.126 163 W HA 0.326 4.989 4.660 0.006 0.000 0.346 163 W C 0.744 177.266 176.519 0.006 0.000 1.279 163 W CA -0.987 56.362 57.345 0.007 0.000 1.259 163 W CB 0.034 29.510 29.460 0.027 0.000 1.133 163 W HN -0.112 nan 8.180 nan 0.000 0.592 164 D N 1.922 122.468 120.400 0.243 0.000 2.494 164 D HA 0.139 4.781 4.640 0.005 0.000 0.217 164 D C 1.120 177.527 176.300 0.178 0.000 1.153 164 D CA 0.053 54.140 54.000 0.146 0.000 0.954 164 D CB 0.145 40.992 40.800 0.079 0.000 1.034 164 D HN 0.274 nan 8.370 nan 0.000 0.518 165 L N 1.995 123.338 121.223 0.200 0.000 2.046 165 L HA -0.121 4.222 4.340 0.005 0.000 0.208 165 L C 2.064 179.032 176.870 0.163 0.000 1.077 165 L CA 0.989 55.959 54.840 0.216 0.000 0.747 165 L CB -0.171 42.017 42.059 0.215 0.000 0.896 165 L HN 0.359 nan 8.230 nan 0.000 0.432 166 E N -0.167 120.120 120.200 0.145 0.000 2.268 166 E HA -0.193 4.160 4.350 0.005 0.000 0.195 166 E C 1.168 177.825 176.600 0.095 0.000 0.995 166 E CA 0.727 57.220 56.400 0.156 0.000 0.836 166 E CB -0.063 29.751 29.700 0.190 0.000 0.763 166 E HN 0.326 nan 8.360 nan 0.000 0.491 167 N N 0.244 118.984 118.700 0.068 0.000 2.270 167 N HA 0.030 4.773 4.740 0.005 0.000 0.198 167 N C -0.465 175.086 175.510 0.067 0.000 1.117 167 N CA -0.120 52.955 53.050 0.043 0.000 0.845 167 N CB 0.289 38.814 38.487 0.063 0.000 0.980 167 N HN -0.026 nan 8.380 nan 0.000 0.486 168 L N 0.571 121.835 121.223 0.069 0.000 2.439 168 L HA 0.347 4.690 4.340 0.005 0.000 0.269 168 L C -0.777 176.095 176.870 0.003 0.000 1.179 168 L CA 0.229 55.136 54.840 0.112 0.000 0.828 168 L CB 0.185 42.336 42.059 0.153 0.000 1.106 168 L HN -0.054 nan 8.230 nan 0.000 0.467 169 F N 2.021 121.890 119.950 -0.135 0.000 2.444 169 F HA 0.373 4.902 4.527 0.003 0.000 0.342 169 F C 0.358 176.128 175.800 -0.050 0.000 1.121 169 F CA -0.446 57.428 58.000 -0.211 0.000 0.997 169 F CB 1.814 40.481 39.000 -0.556 0.000 1.130 169 F HN 0.356 nan 8.300 nan 0.000 0.454 170 S N 3.467 119.258 115.700 0.151 0.000 2.420 170 S HA 0.641 5.113 4.470 0.005 0.000 0.313 170 S C -0.961 173.747 174.600 0.181 0.000 1.079 170 S CA -0.482 57.822 58.200 0.172 0.000 1.104 170 S CB 0.100 63.408 63.200 0.179 0.000 0.969 170 S HN 0.359 nan 8.310 nan 0.000 0.471 171 V N 5.553 125.553 119.914 0.143 0.000 2.398 171 V HA 0.360 4.482 4.120 0.005 0.000 0.286 171 V C 0.517 176.656 176.094 0.074 0.000 1.026 171 V CA -0.784 61.575 62.300 0.099 0.000 0.868 171 V CB 1.604 33.494 31.823 0.112 0.000 0.982 171 V HN 0.845 nan 8.190 nan 0.000 0.443 172 T N 6.920 121.501 114.554 0.045 0.000 2.834 172 T HA 0.333 4.686 4.350 0.005 0.000 0.298 172 T C 0.151 174.844 174.700 -0.012 0.000 0.966 172 T CA 0.175 62.285 62.100 0.015 0.000 1.141 172 T CB -0.023 68.831 68.868 -0.023 0.000 0.905 172 T HN 0.404 nan 8.240 nan 0.000 0.535 173 L N 4.628 125.852 121.223 0.002 0.000 2.417 173 L HA 0.384 4.727 4.340 0.005 0.000 0.258 173 L C 1.838 178.711 176.870 0.004 0.000 1.088 173 L CA -0.624 54.223 54.840 0.011 0.000 0.975 173 L CB 0.271 42.344 42.059 0.023 0.000 1.341 173 L HN 0.655 nan 8.230 nan 0.000 0.431 174 R N 1.194 121.688 120.500 -0.012 0.000 2.132 174 R HA -0.197 4.146 4.340 0.005 0.000 0.233 174 R C 0.841 177.139 176.300 -0.003 0.000 1.125 174 R CA 2.434 58.516 56.100 -0.029 0.000 0.914 174 R CB 0.192 30.455 30.300 -0.061 0.000 0.845 174 R HN 0.559 nan 8.270 nan 0.000 0.431 175 D N -0.579 119.846 120.400 0.042 0.000 2.371 175 D HA -0.001 4.641 4.640 0.005 0.000 0.221 175 D C 0.962 177.287 176.300 0.042 0.000 0.986 175 D CA 0.914 54.945 54.000 0.050 0.000 0.899 175 D CB 0.291 41.152 40.800 0.102 0.000 0.902 175 D HN 0.410 nan 8.370 nan 0.000 0.530 176 A N -0.138 122.700 122.820 0.030 0.000 2.238 176 A HA 0.455 4.778 4.320 0.005 0.000 0.210 176 A C 1.751 179.329 177.584 -0.010 0.000 1.179 176 A CA 0.563 52.611 52.037 0.018 0.000 0.827 176 A CB -0.237 18.776 19.000 0.021 0.000 0.856 176 A HN 0.173 nan 8.150 nan 0.000 0.488 177 G N -0.467 108.318 108.800 -0.025 0.000 2.273 177 G HA2 -0.236 3.727 3.960 0.005 0.000 0.280 177 G HA3 -0.236 3.727 3.960 0.005 0.000 0.280 177 G C -0.119 174.699 174.900 -0.136 0.000 1.047 177 G CA 0.701 45.748 45.100 -0.088 0.000 0.869 177 G HN 0.670 nan 8.290 nan 0.000 0.502 178 Q N -1.269 118.484 119.800 -0.078 0.000 2.544 178 Q HA 0.784 5.127 4.340 0.005 0.000 0.291 178 Q C 0.221 176.205 176.000 -0.026 0.000 1.068 178 Q CA -0.978 54.789 55.803 -0.059 0.000 0.785 178 Q CB 2.330 31.056 28.738 -0.021 0.000 1.481 178 Q HN 0.709 nan 8.270 nan 0.000 0.430 179 I N -2.383 118.186 120.570 -0.001 0.000 2.785 179 I HA 0.937 5.110 4.170 0.005 0.000 0.302 179 I C -1.167 174.983 176.117 0.054 0.000 1.069 179 I CA -1.165 60.157 61.300 0.037 0.000 1.045 179 I CB 2.135 40.171 38.000 0.059 0.000 1.236 179 I HN 0.566 nan 8.210 nan 0.000 0.429 180 A N 6.216 129.079 122.820 0.072 0.000 2.318 180 A HA 0.779 5.101 4.320 0.005 0.000 0.324 180 A C -0.728 176.917 177.584 0.102 0.000 1.170 180 A CA -0.664 51.421 52.037 0.079 0.000 0.810 180 A CB 1.046 20.092 19.000 0.077 0.000 1.198 180 A HN 0.760 nan 8.150 nan 0.000 0.484 181 L N 3.921 125.199 121.223 0.092 0.000 2.264 181 L HA 0.457 4.800 4.340 0.005 0.000 0.287 181 L C -0.764 176.118 176.870 0.020 0.000 1.039 181 L CA 0.017 54.915 54.840 0.096 0.000 0.829 181 L CB 0.521 42.673 42.059 0.156 0.000 1.211 181 L HN 0.559 nan 8.230 nan 0.000 0.427 182 I N 2.166 122.791 120.570 0.092 0.000 2.433 182 I HA 0.220 4.393 4.170 0.005 0.000 0.292 182 I C 0.008 176.202 176.117 0.128 0.000 1.001 182 I CA -0.688 60.680 61.300 0.113 0.000 1.119 182 I CB 2.189 40.352 38.000 0.271 0.000 1.289 182 I HN 0.503 nan 8.210 nan 0.000 0.438 183 D N 4.848 125.262 120.400 0.022 0.000 2.401 183 D HA 0.012 4.655 4.640 0.005 0.000 0.254 183 D C 1.188 177.565 176.300 0.127 0.000 1.192 183 D CA 0.287 54.289 54.000 0.003 0.000 0.885 183 D CB 1.791 42.513 40.800 -0.131 0.000 1.147 183 D HN 0.810 nan 8.370 nan 0.000 0.478 184 G N 2.961 111.886 108.800 0.209 0.000 2.509 184 G HA2 -0.074 3.889 3.960 0.005 0.000 0.218 184 G HA3 -0.074 3.889 3.960 0.005 0.000 0.218 184 G C 1.126 176.112 174.900 0.143 0.000 1.124 184 G CA 0.847 46.157 45.100 0.351 0.000 0.776 184 G HN 0.577 nan 8.290 nan 0.000 0.547 185 A N 0.175 122.919 122.820 -0.127 0.000 1.963 185 A HA 0.216 4.538 4.320 0.005 0.000 0.207 185 A C 2.424 179.545 177.584 -0.772 0.000 1.243 185 A CA 1.818 53.662 52.037 -0.321 0.000 0.728 185 A CB -0.275 18.633 19.000 -0.154 0.000 0.895 185 A HN 0.389 nan 8.150 nan 0.000 0.467 186 T N -5.740 108.440 114.554 -0.623 0.000 3.044 186 T HA 0.137 4.490 4.350 0.005 0.000 0.250 186 T C 0.582 174.893 174.700 -0.648 0.000 1.081 186 T CA 0.879 62.619 62.100 -0.599 0.000 1.040 186 T CB -0.469 68.232 68.868 -0.278 0.000 0.962 186 T HN 0.711 nan 8.240 nan 0.000 0.506 187 Y N 0.451 120.666 120.300 -0.141 0.000 4.798 187 Y HA -0.189 4.361 4.550 0.001 0.000 0.237 187 Y C 0.177 176.016 175.900 -0.101 0.000 1.017 187 Y CA -0.267 57.730 58.100 -0.172 0.000 2.010 187 Y CB -2.989 35.194 38.460 -0.461 0.000 1.582 187 Y HN 0.471 nan 8.280 nan 0.000 0.621 188 E N 1.049 121.223 120.200 -0.044 0.000 2.360 188 E HA 0.348 4.701 4.350 0.005 0.000 0.269 188 E C 0.256 176.822 176.600 -0.056 0.000 1.022 188 E CA -0.401 55.966 56.400 -0.054 0.000 0.887 188 E CB 0.652 30.284 29.700 -0.114 0.000 0.990 188 E HN 0.252 nan 8.360 nan 0.000 0.426 189 I N 4.744 125.293 120.570 -0.035 0.000 2.406 189 I HA -0.049 4.124 4.170 0.005 0.000 0.293 189 I C 1.301 177.346 176.117 -0.121 0.000 1.101 189 I CA -0.148 61.128 61.300 -0.040 0.000 1.334 189 I CB 0.420 38.421 38.000 0.002 0.000 1.421 189 I HN 0.366 nan 8.210 nan 0.000 0.513 190 K N 3.117 123.367 120.400 -0.250 0.000 2.167 190 K HA 0.090 4.412 4.320 0.005 0.000 0.203 190 K C 0.621 177.106 176.600 -0.191 0.000 1.052 190 K CA 0.554 56.559 56.287 -0.470 0.000 0.956 190 K CB 0.081 31.823 32.500 -1.263 0.000 0.735 190 K HN 0.573 nan 8.250 nan 0.000 0.451 191 S N -0.615 115.053 115.700 -0.054 0.000 2.565 191 S HA 0.371 4.844 4.470 0.005 0.000 0.274 191 S C -1.808 172.836 174.600 0.073 0.000 1.144 191 S CA -0.794 57.460 58.200 0.089 0.000 0.849 191 S CB 1.466 64.823 63.200 0.262 0.000 1.103 191 S HN -0.179 nan 8.310 nan 0.000 0.455 192 V N 4.586 124.541 119.914 0.068 0.000 2.409 192 V HA 0.551 4.674 4.120 0.005 0.000 0.291 192 V C -0.567 175.557 176.094 0.050 0.000 1.020 192 V CA -0.504 61.828 62.300 0.053 0.000 0.848 192 V CB 1.182 33.028 31.823 0.037 0.000 0.990 192 V HN 0.778 nan 8.190 nan 0.000 0.430 193 L N 3.817 125.066 121.223 0.043 0.000 2.334 193 L HA 0.582 4.925 4.340 0.005 0.000 0.276 193 L C -0.084 176.776 176.870 -0.016 0.000 1.014 193 L CA -0.631 54.224 54.840 0.025 0.000 0.815 193 L CB 1.817 43.900 42.059 0.041 0.000 1.268 193 L HN 0.532 nan 8.230 nan 0.000 0.428 194 D N 0.930 121.310 120.400 -0.033 0.000 2.304 194 D HA 0.143 4.785 4.640 0.005 0.000 0.250 194 D C 0.600 176.817 176.300 -0.139 0.000 1.107 194 D CA 0.168 54.121 54.000 -0.077 0.000 0.885 194 D CB 2.198 42.964 40.800 -0.056 0.000 1.192 194 D HN 0.685 nan 8.370 nan 0.000 0.436 195 T N -1.545 112.837 114.554 -0.287 0.000 2.978 195 T HA 0.274 4.627 4.350 0.005 0.000 0.248 195 T C 1.455 175.725 174.700 -0.716 0.000 1.018 195 T CA 0.380 62.116 62.100 -0.607 0.000 1.026 195 T CB 0.739 69.098 68.868 -0.849 0.000 1.032 195 T HN 0.578 nan 8.240 nan 0.000 0.485 196 G N 1.617 110.171 108.800 -0.410 0.000 2.159 196 G HA2 -0.167 3.795 3.960 0.005 0.000 0.256 196 G HA3 -0.167 3.795 3.960 0.005 0.000 0.256 196 G C -0.064 174.823 174.900 -0.021 0.000 0.977 196 G CA 0.460 45.472 45.100 -0.146 0.000 0.652 196 G HN 1.132 nan 8.290 nan 0.000 0.531 197 Y N -3.040 117.275 120.300 0.025 0.000 2.609 197 Y HA 0.798 5.351 4.550 0.005 0.000 0.336 197 Y C -0.102 175.800 175.900 0.004 0.000 1.129 197 Y CA -2.116 55.993 58.100 0.014 0.000 1.040 197 Y CB 0.541 39.010 38.460 0.015 0.000 1.310 197 Y HN 0.971 nan 8.280 nan 0.000 0.460 198 A N 1.982 124.937 122.820 0.224 0.000 2.454 198 A HA 0.533 4.855 4.320 0.005 0.000 0.260 198 A C -0.436 177.298 177.584 0.250 0.000 1.106 198 A CA -0.408 51.705 52.037 0.127 0.000 0.780 198 A CB -0.282 18.723 19.000 0.008 0.000 1.044 198 A HN 0.670 nan 8.150 nan 0.000 0.498 199 V N 2.954 122.979 119.914 0.185 0.000 2.583 199 V HA 0.108 4.231 4.120 0.005 0.000 0.287 199 V C 1.177 177.354 176.094 0.139 0.000 1.051 199 V CA 0.328 62.761 62.300 0.221 0.000 1.010 199 V CB 1.004 32.914 31.823 0.145 0.000 0.988 199 V HN 1.139 nan 8.190 nan 0.000 0.478 200 H N 3.601 122.704 119.070 0.054 0.000 2.406 200 H HA 0.417 4.976 4.556 0.005 0.000 0.304 200 H C 0.072 175.443 175.328 0.072 0.000 1.042 200 H CA 0.819 56.887 56.048 0.034 0.000 1.360 200 H CB 0.631 30.389 29.762 -0.007 0.000 1.448 200 H HN 0.375 nan 8.280 nan 0.000 0.553 201 I N 0.316 120.942 120.570 0.092 0.000 2.686 201 I HA 0.252 4.425 4.170 0.005 0.000 0.295 201 I C -0.538 175.494 176.117 -0.142 0.000 1.114 201 I CA -0.580 60.671 61.300 -0.083 0.000 1.038 201 I CB 2.132 40.072 38.000 -0.100 0.000 1.238 201 I HN 0.005 nan 8.210 nan 0.000 0.420 202 S N 5.685 121.159 115.700 -0.375 0.000 2.475 202 S HA 0.694 5.167 4.470 0.005 0.000 0.298 202 S C -0.294 174.073 174.600 -0.388 0.000 1.119 202 S CA -0.762 57.305 58.200 -0.223 0.000 1.085 202 S CB 1.682 64.895 63.200 0.021 0.000 1.028 202 S HN 0.355 nan 8.310 nan 0.000 0.489 203 R N 1.735 122.164 120.500 -0.117 0.000 2.771 203 R HA 0.537 4.879 4.340 0.005 0.000 0.274 203 R C -1.471 174.893 176.300 0.108 0.000 0.987 203 R CA -0.806 55.251 56.100 -0.071 0.000 0.908 203 R CB 1.283 31.523 30.300 -0.100 0.000 1.213 203 R HN 0.415 nan 8.270 nan 0.000 0.468 204 L N 1.376 122.656 121.223 0.094 0.000 2.334 204 L HA 0.396 4.739 4.340 0.005 0.000 0.276 204 L C 0.861 177.828 176.870 0.161 0.000 1.014 204 L CA -0.413 54.517 54.840 0.151 0.000 0.815 204 L CB 1.853 43.957 42.059 0.076 0.000 1.268 204 L HN 0.804 nan 8.230 nan 0.000 0.428 205 S N 1.225 117.076 115.700 0.252 0.000 2.589 205 S HA 0.232 4.705 4.470 0.005 0.000 0.265 205 S C 1.257 175.895 174.600 0.063 0.000 1.342 205 S CA 0.127 58.444 58.200 0.195 0.000 1.005 205 S CB 0.994 64.382 63.200 0.313 0.000 0.909 205 S HN 0.713 nan 8.310 nan 0.000 0.555 206 A N 1.514 124.345 122.820 0.018 0.000 2.019 206 A HA -0.024 4.298 4.320 0.005 0.000 0.219 206 A C 2.366 179.929 177.584 -0.036 0.000 1.164 206 A CA 1.644 53.658 52.037 -0.037 0.000 0.644 206 A CB -1.380 17.585 19.000 -0.058 0.000 0.805 206 A HN 1.324 nan 8.150 nan 0.000 0.449 207 S N -2.185 113.502 115.700 -0.021 0.000 2.496 207 S HA 0.341 4.814 4.470 0.005 0.000 0.224 207 S C 1.546 176.138 174.600 -0.013 0.000 0.996 207 S CA 1.143 59.328 58.200 -0.025 0.000 0.927 207 S CB -0.274 62.884 63.200 -0.069 0.000 0.774 207 S HN 1.879 nan 8.310 nan 0.000 0.524 208 G N 1.789 110.577 108.800 -0.019 0.000 2.176 208 G HA2 -0.347 3.616 3.960 0.005 0.000 0.253 208 G HA3 -0.347 3.616 3.960 0.005 0.000 0.253 208 G C 0.842 175.700 174.900 -0.069 0.000 0.979 208 G CA 0.442 45.545 45.100 0.005 0.000 0.641 208 G HN 0.598 nan 8.290 nan 0.000 0.530 209 R N -0.906 119.430 120.500 -0.274 0.000 2.093 209 R HA 0.198 4.540 4.340 0.005 0.000 0.224 209 R C 0.199 176.121 176.300 -0.630 0.000 1.101 209 R CA 0.752 56.438 56.100 -0.689 0.000 0.979 209 R CB 0.002 29.459 30.300 -1.405 0.000 0.877 209 R HN 0.352 nan 8.270 nan 0.000 0.441 210 Y N 0.525 120.708 120.300 -0.194 0.000 2.341 210 Y HA 0.324 4.878 4.550 0.005 0.000 0.337 210 Y C -0.563 175.234 175.900 -0.172 0.000 1.014 210 Y CA -1.333 56.624 58.100 -0.238 0.000 1.111 210 Y CB 1.685 39.982 38.460 -0.272 0.000 1.194 210 Y HN -0.028 nan 8.280 nan 0.000 0.462 211 L N 4.869 126.044 121.223 -0.080 0.000 2.272 211 L HA 0.618 4.961 4.340 0.005 0.000 0.289 211 L C -1.766 174.984 176.870 -0.200 0.000 1.032 211 L CA -0.520 54.300 54.840 -0.032 0.000 0.810 211 L CB -0.062 42.009 42.059 0.020 0.000 1.205 211 L HN 0.363 nan 8.230 nan 0.000 0.422 212 F N 5.107 125.077 119.950 0.033 0.000 2.458 212 F HA 0.672 5.202 4.527 0.004 0.000 0.336 212 F C 0.030 175.833 175.800 0.005 0.000 1.114 212 F CA -0.686 57.323 58.000 0.014 0.000 0.987 212 F CB 2.028 41.014 39.000 -0.022 0.000 1.130 212 F HN 0.397 nan 8.300 nan 0.000 0.458 213 V N 2.400 122.430 119.914 0.193 0.000 2.735 213 V HA 0.699 4.822 4.120 0.005 0.000 0.310 213 V C -1.055 175.145 176.094 0.177 0.000 1.061 213 V CA -0.901 61.494 62.300 0.159 0.000 0.913 213 V CB 1.937 33.855 31.823 0.159 0.000 1.005 213 V HN 0.773 nan 8.190 nan 0.000 0.428 214 I N 3.064 123.706 120.570 0.120 0.000 2.465 214 I HA 0.857 5.030 4.170 0.005 0.000 0.291 214 I C 0.612 176.763 176.117 0.057 0.000 1.014 214 I CA -0.260 61.061 61.300 0.035 0.000 1.093 214 I CB 1.585 39.556 38.000 -0.048 0.000 1.267 214 I HN 1.010 nan 8.210 nan 0.000 0.431 215 G N 5.280 113.975 108.800 -0.175 0.000 2.451 215 G HA2 0.327 4.290 3.960 0.005 0.000 0.303 215 G HA3 0.327 4.290 3.960 0.005 0.000 0.303 215 G C 0.386 175.173 174.900 -0.189 0.000 1.166 215 G CA -0.594 44.419 45.100 -0.146 0.000 0.884 215 G HN 0.764 nan 8.290 nan 0.000 0.514 216 R N -0.153 120.302 120.500 -0.075 0.000 2.193 216 R HA -0.073 4.270 4.340 0.005 0.000 0.229 216 R C 1.385 177.595 176.300 -0.149 0.000 1.110 216 R CA 1.385 57.406 56.100 -0.132 0.000 0.988 216 R CB 0.112 30.359 30.300 -0.088 0.000 0.871 216 R HN 0.681 nan 8.270 nan 0.000 0.458 217 D N -0.728 119.577 120.400 -0.158 0.000 2.336 217 D HA 0.021 4.664 4.640 0.005 0.000 0.229 217 D C 1.085 177.243 176.300 -0.237 0.000 1.061 217 D CA 0.779 54.690 54.000 -0.148 0.000 0.875 217 D CB 0.208 40.953 40.800 -0.093 0.000 0.904 217 D HN 0.276 nan 8.370 nan 0.000 0.525 218 G N -0.036 108.585 108.800 -0.299 0.000 2.175 218 G HA2 -0.252 3.711 3.960 0.005 0.000 0.244 218 G HA3 -0.252 3.711 3.960 0.005 0.000 0.244 218 G C 0.197 174.891 174.900 -0.342 0.000 0.982 218 G CA -0.145 44.768 45.100 -0.311 0.000 0.641 218 G HN 0.334 nan 8.290 nan 0.000 0.527 219 K N 0.725 120.814 120.400 -0.519 0.000 2.276 219 K HA 0.595 4.918 4.320 0.005 0.000 0.283 219 K C 0.061 176.415 176.600 -0.411 0.000 1.044 219 K CA -0.254 55.728 56.287 -0.508 0.000 0.944 219 K CB 1.580 33.655 32.500 -0.709 0.000 1.012 219 K HN 0.123 nan 8.250 nan 0.000 0.472 220 V N 4.436 124.298 119.914 -0.088 0.000 2.459 220 V HA 0.351 4.474 4.120 0.005 0.000 0.295 220 V C 0.031 176.232 176.094 0.177 0.000 1.029 220 V CA -0.898 61.438 62.300 0.060 0.000 0.874 220 V CB 1.641 33.500 31.823 0.059 0.000 0.985 220 V HN 0.697 nan 8.190 nan 0.000 0.438 221 N N 4.323 123.159 118.700 0.227 0.000 2.269 221 N HA 0.593 5.336 4.740 0.005 0.000 0.304 221 N C -1.035 174.510 175.510 0.058 0.000 1.072 221 N CA -0.626 52.528 53.050 0.173 0.000 0.802 221 N CB 2.592 41.188 38.487 0.183 0.000 1.348 221 N HN 0.618 nan 8.380 nan 0.000 0.484 222 M N 3.519 123.091 119.600 -0.047 0.000 2.243 222 M HA 0.493 4.976 4.480 0.005 0.000 0.324 222 M C -1.787 174.403 176.300 -0.184 0.000 1.031 222 M CA -0.519 54.586 55.300 -0.326 0.000 0.949 222 M CB 0.947 33.287 32.600 -0.434 0.000 1.615 222 M HN 0.473 nan 8.290 nan 0.000 0.430 223 I N 3.807 124.272 120.570 -0.175 0.000 2.433 223 I HA 0.272 4.445 4.170 0.005 0.000 0.292 223 I C -0.715 175.416 176.117 0.024 0.000 1.001 223 I CA -0.600 60.678 61.300 -0.036 0.000 1.119 223 I CB 1.819 39.815 38.000 -0.007 0.000 1.289 223 I HN 0.600 nan 8.210 nan 0.000 0.438 224 D N 6.709 127.144 120.400 0.058 0.000 2.411 224 D HA 0.220 4.862 4.640 0.005 0.000 0.225 224 D C 0.750 177.005 176.300 -0.076 0.000 1.156 224 D CA -0.063 53.944 54.000 0.011 0.000 0.874 224 D CB 1.016 41.867 40.800 0.086 0.000 1.034 224 D HN 0.442 nan 8.370 nan 0.000 0.502 225 L N 2.742 123.886 121.223 -0.130 0.000 2.551 225 L HA -0.013 4.330 4.340 0.005 0.000 0.228 225 L C 1.183 178.084 176.870 0.052 0.000 1.153 225 L CA 0.167 54.980 54.840 -0.045 0.000 0.851 225 L CB -0.042 42.030 42.059 0.021 0.000 0.959 225 L HN 0.487 nan 8.230 nan 0.000 0.451 226 W N -0.383 120.773 121.300 -0.240 0.000 3.003 226 W HA 0.141 4.804 4.660 0.005 0.000 0.257 226 W C 1.121 177.507 176.519 -0.222 0.000 1.308 226 W CA -0.791 56.419 57.345 -0.225 0.000 1.529 226 W CB -0.416 28.925 29.460 -0.198 0.000 1.115 226 W HN 0.019 nan 8.180 nan 0.000 0.659 227 M N 0.795 120.393 119.600 -0.002 0.000 2.245 227 M HA -0.040 4.443 4.480 0.005 0.000 0.330 227 M C 2.000 178.193 176.300 -0.179 0.000 1.098 227 M CA 0.437 55.699 55.300 -0.063 0.000 1.172 227 M CB 0.723 33.299 32.600 -0.041 0.000 1.467 227 M HN -0.159 nan 8.290 nan 0.000 0.454 228 K N 1.642 121.959 120.400 -0.138 0.000 2.074 228 K HA -0.139 4.184 4.320 0.005 0.000 0.209 228 K C -0.194 176.291 176.600 -0.191 0.000 1.048 228 K CA 1.527 57.716 56.287 -0.163 0.000 0.926 228 K CB 0.252 32.703 32.500 -0.082 0.000 0.713 228 K HN 0.628 nan 8.250 nan 0.000 0.444 229 E N 1.468 121.595 120.200 -0.121 0.000 2.346 229 E HA 0.235 4.588 4.350 0.005 0.000 0.239 229 E C -2.551 174.004 176.600 -0.075 0.000 0.943 229 E CA -2.319 54.039 56.400 -0.070 0.000 0.751 229 E CB 1.744 31.448 29.700 0.006 0.000 1.241 229 E HN 0.143 nan 8.360 nan 0.000 0.423 230 P HA -0.065 nan 4.420 nan 0.000 0.264 230 P C -0.300 177.009 177.300 0.015 0.000 1.183 230 P CA 0.429 63.483 63.100 -0.077 0.000 0.763 230 P CB 0.904 32.536 31.700 -0.113 0.000 0.807 231 T N 1.121 115.686 114.554 0.018 0.000 2.731 231 T HA 0.330 4.683 4.350 0.005 0.000 0.300 231 T C -0.923 173.801 174.700 0.040 0.000 1.283 231 T CA -0.483 61.635 62.100 0.031 0.000 1.005 231 T CB 0.569 69.447 68.868 0.018 0.000 1.420 231 T HN 0.113 nan 8.240 nan 0.000 0.503 232 T N 2.200 116.786 114.554 0.053 0.000 2.817 232 T HA 0.267 4.620 4.350 0.005 0.000 0.295 232 T C 1.623 176.414 174.700 0.151 0.000 0.958 232 T CA 0.265 62.423 62.100 0.096 0.000 1.157 232 T CB 0.515 69.467 68.868 0.139 0.000 0.898 232 T HN 0.619 nan 8.240 nan 0.000 0.536 233 V N 0.957 120.928 119.914 0.094 0.000 3.471 233 V HA 0.696 4.819 4.120 0.005 0.000 0.258 233 V C 0.632 176.736 176.094 0.017 0.000 1.192 233 V CA 0.389 62.739 62.300 0.083 0.000 1.116 233 V CB -0.617 31.231 31.823 0.041 0.000 0.792 233 V HN 0.907 nan 8.190 nan 0.000 0.459 234 A N 0.764 123.577 122.820 -0.012 0.000 2.604 234 A HA 0.790 5.113 4.320 0.005 0.000 0.295 234 A C -0.902 176.684 177.584 0.003 0.000 1.067 234 A CA -0.248 51.734 52.037 -0.091 0.000 0.683 234 A CB 1.564 20.567 19.000 0.003 0.000 1.281 234 A HN 0.664 nan 8.150 nan 0.000 0.407 235 E N 0.668 120.871 120.200 0.005 0.000 2.413 235 E HA 0.853 5.206 4.350 0.005 0.000 0.277 235 E C -1.398 175.324 176.600 0.203 0.000 0.958 235 E CA -0.744 55.732 56.400 0.127 0.000 0.779 235 E CB 2.181 31.985 29.700 0.173 0.000 1.278 235 E HN 0.940 nan 8.360 nan 0.000 0.456 236 I N 0.084 120.766 120.570 0.186 0.000 2.882 236 I HA 0.352 4.525 4.170 0.005 0.000 0.298 236 I C -2.037 174.143 176.117 0.106 0.000 1.462 236 I CA -0.756 60.659 61.300 0.191 0.000 1.000 236 I CB 2.257 40.361 38.000 0.174 0.000 1.340 236 I HN 0.658 nan 8.210 nan 0.000 0.462 237 K N 5.244 125.719 120.400 0.126 0.000 2.244 237 K HA 0.520 4.843 4.320 0.005 0.000 0.260 237 K C -0.164 176.460 176.600 0.039 0.000 0.951 237 K CA -0.506 55.794 56.287 0.020 0.000 0.826 237 K CB 1.336 33.867 32.500 0.052 0.000 1.108 237 K HN 0.579 nan 8.250 nan 0.000 0.433 238 I N -0.175 120.305 120.570 -0.151 0.000 4.081 238 I HA 0.477 4.650 4.170 0.005 0.000 0.333 238 I C 0.231 176.200 176.117 -0.247 0.000 1.413 238 I CA -0.272 60.974 61.300 -0.089 0.000 1.110 238 I CB 1.136 39.089 38.000 -0.079 0.000 1.082 238 I HN 0.649 nan 8.210 nan 0.000 0.402 239 G N -0.205 108.199 108.800 -0.660 0.000 2.325 239 G HA2 0.332 4.295 3.960 0.005 0.000 0.295 239 G HA3 0.332 4.295 3.960 0.005 0.000 0.295 239 G C -0.370 174.165 174.900 -0.608 0.000 1.274 239 G CA 0.120 44.853 45.100 -0.611 0.000 0.857 239 G HN -0.158 nan 8.290 nan 0.000 0.499 240 S N -0.341 115.230 115.700 -0.216 0.000 2.497 240 S HA 0.307 4.780 4.470 0.005 0.000 0.221 240 S C 0.113 174.710 174.600 -0.005 0.000 1.037 240 S CA 0.506 58.673 58.200 -0.055 0.000 0.920 240 S CB 0.245 63.558 63.200 0.188 0.000 0.800 240 S HN 0.451 nan 8.310 nan 0.000 0.505 241 E N 0.570 120.788 120.200 0.029 0.000 2.274 241 E HA 0.706 5.059 4.350 0.005 0.000 0.269 241 E C -1.088 175.446 176.600 -0.110 0.000 0.891 241 E CA -0.287 56.121 56.400 0.013 0.000 0.784 241 E CB 2.075 31.884 29.700 0.182 0.000 1.225 241 E HN 0.224 nan 8.360 nan 0.000 0.412 242 A N 2.465 125.124 122.820 -0.269 0.000 2.572 242 A HA 0.735 5.058 4.320 0.005 0.000 0.295 242 A C -0.120 177.175 177.584 -0.481 0.000 1.072 242 A CA -0.577 51.240 52.037 -0.367 0.000 0.691 242 A CB 1.439 20.288 19.000 -0.252 0.000 1.291 242 A HN 0.412 nan 8.150 nan 0.000 0.404 243 R N -0.094 120.097 120.500 -0.515 0.000 2.526 243 R HA 0.208 4.550 4.340 0.005 0.000 0.346 243 R C -0.100 176.075 176.300 -0.208 0.000 0.926 243 R CA 0.888 56.716 56.100 -0.453 0.000 1.147 243 R CB 0.366 30.268 30.300 -0.663 0.000 1.629 243 R HN 0.910 nan 8.270 nan 0.000 0.516 244 S N -0.094 115.494 115.700 -0.187 0.000 2.548 244 S HA 0.783 5.255 4.470 0.005 0.000 0.286 244 S C -0.446 174.059 174.600 -0.158 0.000 1.098 244 S CA -0.740 57.379 58.200 -0.136 0.000 0.930 244 S CB 2.544 65.667 63.200 -0.129 0.000 1.070 244 S HN 0.147 nan 8.310 nan 0.000 0.480 245 I N 0.566 121.037 120.570 -0.166 0.000 2.918 245 I HA 0.787 4.960 4.170 0.005 0.000 0.301 245 I C -1.941 174.032 176.117 -0.239 0.000 1.312 245 I CA -0.237 60.935 61.300 -0.212 0.000 1.007 245 I CB 2.220 40.129 38.000 -0.151 0.000 1.281 245 I HN 0.904 nan 8.210 nan 0.000 0.440 246 E N 2.701 122.701 120.200 -0.334 0.000 2.423 246 E HA 0.573 4.926 4.350 0.005 0.000 0.280 246 E C -1.530 174.869 176.600 -0.334 0.000 1.030 246 E CA -0.403 55.833 56.400 -0.274 0.000 0.812 246 E CB 1.986 31.564 29.700 -0.203 0.000 1.313 246 E HN 0.632 nan 8.360 nan 0.000 0.456 247 T N -0.953 113.513 114.554 -0.147 0.000 2.932 247 T HA 0.681 5.034 4.350 0.005 0.000 0.289 247 T C -0.227 174.580 174.700 0.178 0.000 1.039 247 T CA -0.564 61.484 62.100 -0.087 0.000 1.024 247 T CB 1.109 69.894 68.868 -0.139 0.000 1.090 247 T HN 0.524 nan 8.240 nan 0.000 0.496 248 S N 0.893 116.653 115.700 0.100 0.000 2.510 248 S HA 0.313 4.786 4.470 0.005 0.000 0.279 248 S C 0.233 174.810 174.600 -0.039 0.000 1.284 248 S CA -0.781 57.347 58.200 -0.120 0.000 1.059 248 S CB 0.475 63.420 63.200 -0.425 0.000 0.901 248 S HN 0.826 nan 8.310 nan 0.000 0.491 249 K N 0.830 121.201 120.400 -0.049 0.000 2.469 249 K HA 0.219 4.542 4.320 0.005 0.000 0.204 249 K C -0.152 176.343 176.600 -0.174 0.000 1.047 249 K CA -0.344 55.850 56.287 -0.156 0.000 1.072 249 K CB 0.430 32.758 32.500 -0.287 0.000 0.863 249 K HN 0.617 nan 8.250 nan 0.000 0.530 250 M N 2.393 121.992 119.600 -0.003 0.000 2.217 250 M HA 0.063 4.546 4.480 0.005 0.000 0.354 250 M C 0.018 176.389 176.300 0.118 0.000 1.225 250 M CA -0.105 55.215 55.300 0.035 0.000 1.137 250 M CB 0.650 33.278 32.600 0.046 0.000 1.576 250 M HN 0.032 nan 8.290 nan 0.000 0.461 251 E N 3.209 123.432 120.200 0.039 0.000 2.465 251 E HA 0.263 4.616 4.350 0.005 0.000 0.260 251 E C 0.812 177.468 176.600 0.092 0.000 0.980 251 E CA 1.219 57.636 56.400 0.028 0.000 0.927 251 E CB 0.017 29.706 29.700 -0.019 0.000 0.934 251 E HN 0.984 nan 8.360 nan 0.000 0.459 252 G N 3.914 112.711 108.800 -0.005 0.000 2.234 252 G HA2 -0.256 3.706 3.960 0.005 0.000 0.235 252 G HA3 -0.256 3.706 3.960 0.005 0.000 0.235 252 G C 0.101 174.774 174.900 -0.379 0.000 0.997 252 G CA 0.221 45.217 45.100 -0.172 0.000 0.623 252 G HN 0.658 nan 8.290 nan 0.000 0.514 253 W N 1.837 123.126 121.300 -0.019 0.000 2.966 253 W HA 0.628 5.291 4.660 0.004 0.000 0.406 253 W C 0.337 176.807 176.519 -0.080 0.000 1.027 253 W CA -0.505 56.831 57.345 -0.015 0.000 1.930 253 W CB 0.517 30.054 29.460 0.128 0.000 1.144 253 W HN 0.136 nan 8.180 nan 0.000 0.626 254 E N 1.182 121.407 120.200 0.042 0.000 2.465 254 E HA -0.032 4.321 4.350 0.005 0.000 0.260 254 E C 0.664 177.254 176.600 -0.016 0.000 0.980 254 E CA 0.953 57.354 56.400 0.002 0.000 0.927 254 E CB 0.074 29.760 29.700 -0.024 0.000 0.934 254 E HN 0.038 nan 8.360 nan 0.000 0.459 255 D N 1.796 122.199 120.400 0.005 0.000 3.046 255 D HA -0.200 4.443 4.640 0.005 0.000 0.210 255 D C 0.842 177.102 176.300 -0.067 0.000 1.124 255 D CA 0.804 54.819 54.000 0.025 0.000 0.986 255 D CB -0.179 40.656 40.800 0.058 0.000 1.118 255 D HN 0.367 nan 8.370 nan 0.000 0.416 256 K N -0.761 119.559 120.400 -0.134 0.000 2.076 256 K HA 0.001 4.324 4.320 0.005 0.000 0.204 256 K C 0.765 176.996 176.600 -0.615 0.000 1.051 256 K CA 1.232 57.301 56.287 -0.363 0.000 0.949 256 K CB 0.150 32.504 32.500 -0.244 0.000 0.726 256 K HN 0.302 nan 8.250 nan 0.000 0.443 257 Y N -1.405 118.829 120.300 -0.110 0.000 2.588 257 Y HA 0.538 5.090 4.550 0.004 0.000 0.343 257 Y C -0.518 175.292 175.900 -0.149 0.000 1.065 257 Y CA -1.565 56.462 58.100 -0.122 0.000 1.038 257 Y CB 1.924 40.281 38.460 -0.173 0.000 1.297 257 Y HN -0.081 nan 8.280 nan 0.000 0.467 258 A N 1.986 124.775 122.820 -0.051 0.000 2.413 258 A HA 0.868 5.191 4.320 0.005 0.000 0.307 258 A C -1.736 175.606 177.584 -0.403 0.000 1.087 258 A CA -0.793 51.011 52.037 -0.388 0.000 0.750 258 A CB 1.525 20.057 19.000 -0.780 0.000 1.296 258 A HN 0.759 nan 8.150 nan 0.000 0.423 259 I N 0.601 120.779 120.570 -0.653 0.000 2.582 259 I HA 0.738 4.911 4.170 0.005 0.000 0.292 259 I C -0.338 175.517 176.117 -0.438 0.000 1.066 259 I CA -0.670 60.243 61.300 -0.644 0.000 1.053 259 I CB 1.894 39.164 38.000 -1.217 0.000 1.241 259 I HN 0.865 nan 8.210 nan 0.000 0.421 260 A N 4.757 127.416 122.820 -0.269 0.000 2.365 260 A HA 0.876 5.199 4.320 0.005 0.000 0.318 260 A C -0.489 177.016 177.584 -0.131 0.000 1.091 260 A CA -0.459 51.460 52.037 -0.197 0.000 0.763 260 A CB 1.532 20.441 19.000 -0.151 0.000 1.248 260 A HN 0.851 nan 8.150 nan 0.000 0.442 261 G N 0.022 108.743 108.800 -0.132 0.000 2.461 261 G HA2 0.711 4.673 3.960 0.005 0.000 0.323 261 G HA3 0.711 4.673 3.960 0.005 0.000 0.323 261 G C -0.390 174.455 174.900 -0.091 0.000 1.229 261 G CA 0.185 45.242 45.100 -0.072 0.000 0.941 261 G HN 1.420 nan 8.290 nan 0.000 0.477 262 A N 1.465 124.263 122.820 -0.038 0.000 2.356 262 A HA 0.711 5.034 4.320 0.005 0.000 0.323 262 A C -0.031 177.631 177.584 0.129 0.000 1.119 262 A CA -0.669 51.344 52.037 -0.039 0.000 0.790 262 A CB 1.182 20.141 19.000 -0.069 0.000 1.273 262 A HN 0.637 nan 8.150 nan 0.000 0.452 263 Y N -0.301 119.999 120.300 0.001 0.000 2.301 263 Y HA 0.131 4.684 4.550 0.005 0.000 0.295 263 Y C 0.640 176.620 175.900 0.134 0.000 1.119 263 Y CA 0.177 58.314 58.100 0.062 0.000 1.162 263 Y CB 0.190 38.698 38.460 0.080 0.000 1.046 263 Y HN 0.676 nan 8.280 nan 0.000 0.538 264 W N 2.030 123.414 121.300 0.140 0.000 3.042 264 W HA 0.322 4.985 4.660 0.004 0.000 0.337 264 W C -3.058 173.481 176.519 0.033 0.000 1.086 264 W CA -2.298 55.091 57.345 0.073 0.000 1.236 264 W CB 2.145 31.637 29.460 0.054 0.000 1.381 264 W HN -0.142 nan 8.180 nan 0.000 0.472 265 P HA 0.140 nan 4.420 nan 0.000 0.272 265 P C -2.555 174.404 177.300 -0.569 0.000 1.240 265 P CA -0.958 61.391 63.100 -1.253 0.000 0.791 265 P CB 0.114 31.359 31.700 -0.759 0.000 0.978 266 P HA 0.119 nan 4.420 nan 0.000 0.273 266 P C -0.783 176.415 177.300 -0.170 0.000 1.428 266 P CA 0.377 63.351 63.100 -0.209 0.000 0.995 266 P CB -0.276 31.329 31.700 -0.157 0.000 1.286 267 Q N 2.755 122.487 119.800 -0.114 0.000 2.702 267 Q HA 0.501 4.844 4.340 0.005 0.000 0.289 267 Q C -1.635 174.340 176.000 -0.041 0.000 0.923 267 Q CA -1.096 54.627 55.803 -0.134 0.000 0.787 267 Q CB 1.172 29.799 28.738 -0.186 0.000 1.476 267 Q HN 0.311 nan 8.270 nan 0.000 0.402 268 Y N -1.647 118.590 120.300 -0.105 0.000 2.536 268 Y HA 0.869 5.422 4.550 0.005 0.000 0.347 268 Y C -1.420 174.402 175.900 -0.130 0.000 1.000 268 Y CA -1.237 56.786 58.100 -0.128 0.000 1.051 268 Y CB 1.918 40.294 38.460 -0.141 0.000 1.259 268 Y HN 0.435 nan 8.280 nan 0.000 0.468 269 V N 4.346 124.278 119.914 0.031 0.000 2.577 269 V HA 0.397 4.520 4.120 0.005 0.000 0.303 269 V C -0.384 175.675 176.094 -0.057 0.000 1.042 269 V CA -0.912 61.353 62.300 -0.059 0.000 0.872 269 V CB 1.644 33.416 31.823 -0.084 0.000 0.998 269 V HN 0.778 nan 8.190 nan 0.000 0.423 270 I N 5.446 125.982 120.570 -0.057 0.000 2.331 270 I HA 0.491 4.663 4.170 0.005 0.000 0.292 270 I C -0.118 175.949 176.117 -0.083 0.000 0.998 270 I CA -0.035 61.210 61.300 -0.092 0.000 1.267 270 I CB 1.362 39.309 38.000 -0.087 0.000 1.386 270 I HN 0.480 nan 8.210 nan 0.000 0.476 271 M N 4.755 124.323 119.600 -0.053 0.000 2.535 271 M HA 0.302 4.785 4.480 0.005 0.000 0.314 271 M C -0.279 176.085 176.300 0.106 0.000 1.153 271 M CA -0.779 54.499 55.300 -0.036 0.000 0.924 271 M CB 1.821 34.369 32.600 -0.088 0.000 1.710 271 M HN 0.458 nan 8.290 nan 0.000 0.451 272 D N 1.321 121.752 120.400 0.051 0.000 2.493 272 D HA -0.010 4.633 4.640 0.005 0.000 0.240 272 D C 0.872 177.171 176.300 -0.002 0.000 1.142 272 D CA 0.497 54.519 54.000 0.038 0.000 0.872 272 D CB 1.340 42.133 40.800 -0.012 0.000 1.173 272 D HN 0.865 nan 8.370 nan 0.000 0.467 273 G N 3.454 112.210 108.800 -0.074 0.000 2.598 273 G HA2 -0.168 3.795 3.960 0.005 0.000 0.215 273 G HA3 -0.168 3.795 3.960 0.005 0.000 0.215 273 G C 1.187 176.044 174.900 -0.070 0.000 1.131 273 G CA 0.264 45.348 45.100 -0.028 0.000 0.785 273 G HN 0.602 nan 8.290 nan 0.000 0.539 274 E N -0.634 119.488 120.200 -0.131 0.000 2.340 274 E HA -0.014 4.339 4.350 0.005 0.000 0.198 274 E C 2.326 178.829 176.600 -0.161 0.000 0.961 274 E CA 1.202 57.461 56.400 -0.235 0.000 0.905 274 E CB 0.415 30.038 29.700 -0.128 0.000 0.884 274 E HN 0.521 nan 8.360 nan 0.000 0.491 275 T N -2.403 112.145 114.554 -0.009 0.000 2.975 275 T HA 0.230 4.582 4.350 0.005 0.000 0.261 275 T C 1.147 176.013 174.700 0.276 0.000 0.984 275 T CA -0.258 61.926 62.100 0.140 0.000 0.911 275 T CB 0.404 69.439 68.868 0.277 0.000 1.127 275 T HN 0.114 nan 8.240 nan 0.000 0.514 276 L N 0.164 121.461 121.223 0.123 0.000 4.937 276 L HA -0.156 4.186 4.340 0.005 0.000 0.422 276 L C 0.357 177.024 176.870 -0.337 0.000 1.059 276 L CA 0.516 55.380 54.840 0.040 0.000 1.111 276 L CB -1.811 40.342 42.059 0.157 0.000 2.033 276 L HN 0.549 nan 8.230 nan 0.000 0.708 277 E N 3.494 123.417 120.200 -0.462 0.000 2.480 277 E HA 0.033 4.386 4.350 0.005 0.000 0.258 277 E C -1.919 174.301 176.600 -0.634 0.000 0.984 277 E CA -1.245 54.484 56.400 -1.118 0.000 0.930 277 E CB 0.675 29.971 29.700 -0.674 0.000 0.936 277 E HN 0.067 nan 8.360 nan 0.000 0.466 278 P HA 0.035 nan 4.420 nan 0.000 0.276 278 P C -0.581 176.578 177.300 -0.235 0.000 1.253 278 P CA -0.119 62.779 63.100 -0.336 0.000 0.766 278 P CB 1.169 32.701 31.700 -0.281 0.000 0.845 279 K N 1.910 122.222 120.400 -0.147 0.000 2.329 279 K HA 0.157 4.480 4.320 0.005 0.000 0.198 279 K C 0.484 177.031 176.600 -0.089 0.000 1.085 279 K CA 0.735 56.967 56.287 -0.092 0.000 0.961 279 K CB 0.332 32.817 32.500 -0.025 0.000 0.971 279 K HN 0.291 nan 8.250 nan 0.000 0.502 280 K N 0.805 121.144 120.400 -0.102 0.000 2.588 280 K HA 0.410 4.732 4.320 0.005 0.000 0.250 280 K C -1.604 174.911 176.600 -0.143 0.000 0.972 280 K CA -0.096 56.126 56.287 -0.108 0.000 0.821 280 K CB 1.075 33.520 32.500 -0.093 0.000 1.249 280 K HN -0.114 nan 8.250 nan 0.000 0.442 281 I N 3.886 124.355 120.570 -0.168 0.000 2.354 281 I HA 0.397 4.569 4.170 0.005 0.000 0.292 281 I C -0.366 175.560 176.117 -0.318 0.000 0.989 281 I CA -0.879 60.285 61.300 -0.227 0.000 1.188 281 I CB 1.742 39.647 38.000 -0.157 0.000 1.342 281 I HN 0.319 nan 8.210 nan 0.000 0.457 282 Q N 4.320 123.785 119.800 -0.560 0.000 2.325 282 Q HA 0.334 4.676 4.340 0.005 0.000 0.270 282 Q C -0.535 175.167 176.000 -0.495 0.000 1.020 282 Q CA -0.459 54.977 55.803 -0.612 0.000 0.785 282 Q CB 2.416 30.520 28.738 -1.055 0.000 1.259 282 Q HN 0.698 nan 8.270 nan 0.000 0.452 283 S N 0.941 116.480 115.700 -0.268 0.000 2.576 283 S HA 0.200 4.672 4.470 0.005 0.000 0.276 283 S C 0.903 175.432 174.600 -0.117 0.000 1.339 283 S CA 0.205 58.300 58.200 -0.176 0.000 1.039 283 S CB 0.462 63.597 63.200 -0.108 0.000 0.902 283 S HN 0.659 nan 8.310 nan 0.000 0.516 284 T N 1.690 116.200 114.554 -0.072 0.000 3.092 284 T HA 0.327 4.680 4.350 0.005 0.000 0.258 284 T C 0.515 175.203 174.700 -0.020 0.000 1.031 284 T CA -0.402 61.691 62.100 -0.011 0.000 0.925 284 T CB -0.139 68.746 68.868 0.028 0.000 1.036 284 T HN 0.585 nan 8.240 nan 0.000 0.544 285 R N 1.081 121.568 120.500 -0.021 0.000 2.585 285 R HA 0.501 4.844 4.340 0.005 0.000 0.275 285 R C 0.824 177.148 176.300 0.040 0.000 1.018 285 R CA 1.069 57.168 56.100 -0.002 0.000 1.072 285 R CB 0.208 30.563 30.300 0.091 0.000 0.953 285 R HN 0.595 nan 8.270 nan 0.000 0.419 286 G N 1.435 110.207 108.800 -0.047 0.000 2.335 286 G HA2 0.192 4.155 3.960 0.005 0.000 0.291 286 G HA3 0.192 4.155 3.960 0.005 0.000 0.291 286 G C -1.545 173.359 174.900 0.007 0.000 1.261 286 G CA -0.934 44.204 45.100 0.064 0.000 0.871 286 G HN 0.244 nan 8.290 nan 0.000 0.491 287 M N 1.971 121.611 119.600 0.067 0.000 2.318 287 M HA 0.389 4.872 4.480 0.005 0.000 0.347 287 M C 0.921 177.232 176.300 0.018 0.000 1.175 287 M CA -0.664 54.671 55.300 0.059 0.000 1.075 287 M CB 0.623 33.269 32.600 0.077 0.000 1.614 287 M HN 0.828 nan 8.290 nan 0.000 0.456 288 T N 0.040 114.593 114.554 -0.000 0.000 2.940 288 T HA 0.059 4.412 4.350 0.005 0.000 0.309 288 T C 1.016 175.694 174.700 -0.036 0.000 1.056 288 T CA -0.187 61.894 62.100 -0.032 0.000 1.137 288 T CB 0.188 69.014 68.868 -0.070 0.000 0.976 288 T HN 0.684 nan 8.240 nan 0.000 0.547 289 Y N 2.123 122.381 120.300 -0.070 0.000 2.293 289 Y HA -0.043 4.510 4.550 0.005 0.000 0.291 289 Y C 1.710 177.587 175.900 -0.039 0.000 1.137 289 Y CA 1.486 59.554 58.100 -0.053 0.000 1.202 289 Y CB -0.579 37.841 38.460 -0.066 0.000 0.990 289 Y HN 0.703 nan 8.280 nan 0.000 0.537 290 D N 0.033 119.699 120.400 -1.223 0.000 2.290 290 D HA -0.108 4.535 4.640 0.005 0.000 0.224 290 D C 1.462 177.532 176.300 -0.383 0.000 0.967 290 D CA 1.386 54.823 54.000 -0.938 0.000 0.893 290 D CB -0.828 39.312 40.800 -1.100 0.000 1.037 290 D HN 0.581 nan 8.370 nan 0.000 0.477 291 E N 0.004 120.032 120.200 -0.287 0.000 2.371 291 E HA 0.025 4.378 4.350 0.005 0.000 0.194 291 E C -0.128 176.420 176.600 -0.088 0.000 1.012 291 E CA -0.028 56.288 56.400 -0.140 0.000 0.860 291 E CB -0.020 29.625 29.700 -0.093 0.000 0.811 291 E HN 0.245 nan 8.360 nan 0.000 0.502 292 Q N 1.060 120.805 119.800 -0.093 0.000 2.454 292 Q HA -0.219 4.124 4.340 0.005 0.000 0.341 292 Q C -0.523 175.481 176.000 0.007 0.000 1.437 292 Q CA 0.676 56.461 55.803 -0.032 0.000 0.935 292 Q CB -1.428 27.297 28.738 -0.022 0.000 1.164 292 Q HN 0.353 nan 8.270 nan 0.000 0.373 293 E N 0.619 120.832 120.200 0.021 0.000 2.266 293 E HA 0.351 4.703 4.350 0.005 0.000 0.268 293 E C -1.182 175.483 176.600 0.109 0.000 0.879 293 E CA -0.901 55.537 56.400 0.063 0.000 0.762 293 E CB 1.187 30.913 29.700 0.042 0.000 1.199 293 E HN 0.250 nan 8.360 nan 0.000 0.422 294 Y N 3.824 124.141 120.300 0.027 0.000 2.511 294 Y HA 0.070 4.623 4.550 0.005 0.000 0.332 294 Y C -0.797 175.142 175.900 0.065 0.000 1.177 294 Y CA 0.436 58.562 58.100 0.043 0.000 1.422 294 Y CB 0.440 38.913 38.460 0.021 0.000 1.271 294 Y HN 0.461 nan 8.280 nan 0.000 0.550 295 H N 8.498 127.128 119.070 -0.734 0.000 2.658 295 H HA 0.283 4.842 4.556 0.005 0.000 0.337 295 H C -2.280 172.569 175.328 -0.799 0.000 1.009 295 H CA -2.384 53.349 56.048 -0.526 0.000 1.231 295 H CB 2.509 32.116 29.762 -0.259 0.000 1.508 295 H HN 0.499 nan 8.280 nan 0.000 0.517 296 P HA 0.068 nan 4.420 nan 0.000 0.255 296 P C 0.108 177.471 177.300 0.105 0.000 1.248 296 P CA 0.490 63.503 63.100 -0.144 0.000 0.807 296 P CB 0.797 32.542 31.700 0.075 0.000 1.150 297 E N 0.702 121.087 120.200 0.309 0.000 3.909 297 E HA 0.268 4.620 4.350 0.005 0.000 0.236 297 E C -2.682 174.024 176.600 0.176 0.000 1.222 297 E CA -1.846 54.732 56.400 0.297 0.000 1.205 297 E CB 0.913 30.831 29.700 0.364 0.000 1.249 297 E HN 0.059 nan 8.360 nan 0.000 0.411 298 P HA 0.208 nan 4.420 nan 0.000 0.274 298 P C -0.833 176.442 177.300 -0.042 0.000 1.504 298 P CA -0.298 62.730 63.100 -0.121 0.000 1.011 298 P CB 0.285 31.901 31.700 -0.139 0.000 1.366 299 R N 1.727 122.206 120.500 -0.035 0.000 2.543 299 R HA 0.269 4.611 4.340 0.005 0.000 0.277 299 R C -0.038 176.319 176.300 0.095 0.000 1.074 299 R CA -0.645 55.478 56.100 0.038 0.000 1.076 299 R CB 0.430 30.653 30.300 -0.128 0.000 0.993 299 R HN 0.207 nan 8.270 nan 0.000 0.459 300 V N 3.108 123.124 119.914 0.169 0.000 2.488 300 V HA 0.220 4.343 4.120 0.005 0.000 0.277 300 V C 0.731 176.939 176.094 0.190 0.000 1.046 300 V CA 0.255 62.630 62.300 0.125 0.000 0.986 300 V CB 0.874 32.745 31.823 0.080 0.000 0.989 300 V HN 1.008 nan 8.190 nan 0.000 0.475 301 A N 4.863 127.750 122.820 0.111 0.000 3.658 301 A HA 0.908 5.231 4.320 0.005 0.000 0.188 301 A C 0.878 178.442 177.584 -0.035 0.000 1.601 301 A CA 0.184 52.274 52.037 0.089 0.000 1.765 301 A CB -0.430 18.618 19.000 0.081 0.000 1.546 301 A HN 1.081 nan 8.150 nan 0.000 0.555 302 A N -0.553 122.214 122.820 -0.087 0.000 2.483 302 A HA 0.516 4.839 4.320 0.005 0.000 0.238 302 A C -0.336 177.200 177.584 -0.080 0.000 1.070 302 A CA 0.368 52.364 52.037 -0.068 0.000 0.770 302 A CB -0.502 18.493 19.000 -0.008 0.000 1.008 302 A HN 0.524 nan 8.150 nan 0.000 0.497 303 I N 1.787 122.284 120.570 -0.121 0.000 2.499 303 I HA 0.347 4.519 4.170 0.005 0.000 0.288 303 I C -0.961 175.059 176.117 -0.162 0.000 1.048 303 I CA -0.376 60.810 61.300 -0.190 0.000 1.062 303 I CB 1.638 39.483 38.000 -0.258 0.000 1.238 303 I HN 0.442 nan 8.210 nan 0.000 0.426 304 L N 4.903 126.002 121.223 -0.206 0.000 2.271 304 L HA 0.893 5.236 4.340 0.005 0.000 0.265 304 L C -0.120 176.748 176.870 -0.003 0.000 1.013 304 L CA -0.515 54.252 54.840 -0.122 0.000 0.820 304 L CB 1.769 43.692 42.059 -0.228 0.000 1.352 304 L HN 0.659 nan 8.230 nan 0.000 0.443 305 A N -0.028 122.846 122.820 0.091 0.000 2.356 305 A HA 0.669 4.992 4.320 0.005 0.000 0.310 305 A C -0.553 177.108 177.584 0.130 0.000 1.075 305 A CA -0.463 51.664 52.037 0.151 0.000 0.746 305 A CB 1.456 20.568 19.000 0.188 0.000 1.221 305 A HN 0.504 nan 8.150 nan 0.000 0.443 306 S N 0.391 116.114 115.700 0.038 0.000 2.572 306 S HA 0.163 4.636 4.470 0.005 0.000 0.279 306 S C 0.638 175.340 174.600 0.171 0.000 1.341 306 S CA -0.081 58.170 58.200 0.086 0.000 1.043 306 S CB 0.018 63.191 63.200 -0.046 0.000 0.887 306 S HN 0.727 nan 8.310 nan 0.000 0.516 307 H N 2.829 121.933 119.070 0.057 0.000 2.622 307 H HA 0.119 4.678 4.556 0.004 0.000 0.269 307 H C 0.244 175.549 175.328 -0.038 0.000 0.977 307 H CA 0.371 56.424 56.048 0.009 0.000 1.179 307 H CB 0.401 30.165 29.762 0.003 0.000 1.458 307 H HN 0.688 nan 8.280 nan 0.000 0.531 308 Y N 0.385 120.702 120.300 0.028 0.000 2.524 308 Y HA 0.237 4.789 4.550 0.004 0.000 0.270 308 Y C 0.769 176.623 175.900 -0.077 0.000 1.094 308 Y CA 0.252 58.334 58.100 -0.029 0.000 1.276 308 Y CB 0.862 39.283 38.460 -0.065 0.000 1.130 308 Y HN -0.126 nan 8.280 nan 0.000 0.536 309 R N -0.085 120.418 120.500 0.005 0.000 2.836 309 R HA 0.318 4.660 4.340 0.005 0.000 0.269 309 R C -2.763 173.341 176.300 -0.326 0.000 1.010 309 R CA -2.064 53.950 56.100 -0.144 0.000 0.930 309 R CB 1.382 31.584 30.300 -0.164 0.000 1.218 309 R HN -0.303 nan 8.270 nan 0.000 0.473 310 P HA 0.124 nan 4.420 nan 0.000 0.230 310 P C -1.212 175.070 177.300 -1.696 0.000 1.791 310 P CA 0.266 62.661 63.100 -1.176 0.000 1.020 310 P CB 0.118 30.983 31.700 -1.392 0.000 1.977 311 E N 0.692 120.249 120.200 -1.073 0.000 2.367 311 E HA 0.498 4.851 4.350 0.005 0.000 0.273 311 E C -0.876 175.469 176.600 -0.426 0.000 0.903 311 E CA -0.792 55.162 56.400 -0.743 0.000 0.764 311 E CB 1.372 30.827 29.700 -0.408 0.000 1.252 311 E HN 0.043 nan 8.360 nan 0.000 0.446 312 F N 1.199 121.083 119.950 -0.111 0.000 2.399 312 F HA 0.462 4.992 4.527 0.004 0.000 0.328 312 F C 0.258 175.910 175.800 -0.248 0.000 1.084 312 F CA -0.701 57.218 58.000 -0.135 0.000 1.053 312 F CB 0.808 39.714 39.000 -0.157 0.000 1.209 312 F HN 0.231 nan 8.300 nan 0.000 0.502 313 I N 3.320 123.839 120.570 -0.085 0.000 2.390 313 I HA 0.338 4.511 4.170 0.005 0.000 0.283 313 I C -1.171 174.756 176.117 -0.317 0.000 1.016 313 I CA -0.588 60.540 61.300 -0.286 0.000 1.151 313 I CB 1.168 38.851 38.000 -0.527 0.000 1.293 313 I HN 0.124 nan 8.210 nan 0.000 0.458 314 V N 5.577 125.329 119.914 -0.270 0.000 2.384 314 V HA 0.343 4.466 4.120 0.005 0.000 0.287 314 V C -0.013 176.001 176.094 -0.133 0.000 1.020 314 V CA -0.795 61.350 62.300 -0.258 0.000 0.850 314 V CB 1.492 33.061 31.823 -0.424 0.000 0.987 314 V HN 0.574 nan 8.190 nan 0.000 0.436 315 N N 3.187 121.849 118.700 -0.062 0.000 2.444 315 N HA 0.386 5.128 4.740 0.005 0.000 0.271 315 N C -0.599 174.908 175.510 -0.005 0.000 1.069 315 N CA -0.123 52.934 53.050 0.011 0.000 0.965 315 N CB 1.849 40.379 38.487 0.071 0.000 1.092 315 N HN 0.442 nan 8.380 nan 0.000 0.476 316 V N 3.712 123.617 119.914 -0.015 0.000 2.313 316 V HA 0.174 4.297 4.120 0.005 0.000 0.278 316 V C 1.544 177.606 176.094 -0.055 0.000 1.017 316 V CA -0.691 61.596 62.300 -0.021 0.000 0.823 316 V CB 1.289 33.099 31.823 -0.021 0.000 1.010 316 V HN 0.672 nan 8.190 nan 0.000 0.443 317 K N 3.446 123.822 120.400 -0.040 0.000 1.969 317 K HA -0.198 4.125 4.320 0.005 0.000 0.216 317 K C 1.596 178.072 176.600 -0.208 0.000 1.048 317 K CA 2.214 58.469 56.287 -0.053 0.000 0.948 317 K CB 0.192 32.711 32.500 0.032 0.000 0.726 317 K HN 0.670 nan 8.250 nan 0.000 0.442 318 E N -0.423 119.608 120.200 -0.282 0.000 2.274 318 E HA -0.089 4.264 4.350 0.005 0.000 0.194 318 E C 1.675 177.976 176.600 -0.499 0.000 0.996 318 E CA 1.591 57.686 56.400 -0.508 0.000 0.840 318 E CB 0.087 29.340 29.700 -0.745 0.000 0.772 318 E HN 0.608 nan 8.360 nan 0.000 0.491 319 T N -3.724 110.639 114.554 -0.318 0.000 3.065 319 T HA 0.236 4.589 4.350 0.005 0.000 0.252 319 T C 1.528 176.194 174.700 -0.056 0.000 1.099 319 T CA 0.179 62.178 62.100 -0.170 0.000 1.063 319 T CB 0.264 69.067 68.868 -0.107 0.000 0.948 319 T HN 0.192 nan 8.240 nan 0.000 0.506 320 G N 2.230 110.955 108.800 -0.125 0.000 2.272 320 G HA2 -0.191 3.771 3.960 0.005 0.000 0.280 320 G HA3 -0.191 3.771 3.960 0.005 0.000 0.280 320 G C -0.332 174.484 174.900 -0.139 0.000 1.067 320 G CA -0.236 44.791 45.100 -0.122 0.000 0.902 320 G HN 0.556 nan 8.290 nan 0.000 0.500 321 K N -0.093 120.254 120.400 -0.089 0.000 2.292 321 K HA 0.623 4.946 4.320 0.005 0.000 0.257 321 K C 0.171 176.734 176.600 -0.061 0.000 0.940 321 K CA -0.858 55.386 56.287 -0.071 0.000 0.811 321 K CB 2.115 34.597 32.500 -0.029 0.000 1.120 321 K HN 0.256 nan 8.250 nan 0.000 0.428 322 I N 4.138 124.672 120.570 -0.061 0.000 2.339 322 I HA 0.291 4.464 4.170 0.005 0.000 0.290 322 I C -0.160 175.924 176.117 -0.054 0.000 0.994 322 I CA -0.752 60.530 61.300 -0.030 0.000 1.191 322 I CB 0.828 38.841 38.000 0.023 0.000 1.343 322 I HN 0.225 nan 8.210 nan 0.000 0.458 323 L N 7.233 128.408 121.223 -0.079 0.000 2.282 323 L HA 0.513 4.856 4.340 0.005 0.000 0.288 323 L C -0.564 176.228 176.870 -0.130 0.000 1.033 323 L CA -0.646 54.139 54.840 -0.092 0.000 0.807 323 L CB 1.206 43.211 42.059 -0.090 0.000 1.209 323 L HN 0.431 nan 8.230 nan 0.000 0.423 324 L N 4.748 125.904 121.223 -0.113 0.000 2.264 324 L HA 0.419 4.761 4.340 0.005 0.000 0.287 324 L C -0.515 176.276 176.870 -0.132 0.000 1.039 324 L CA -0.626 54.133 54.840 -0.136 0.000 0.829 324 L CB 1.540 43.519 42.059 -0.133 0.000 1.211 324 L HN 0.325 nan 8.230 nan 0.000 0.427 325 V N 2.052 121.885 119.914 -0.135 0.000 2.328 325 V HA 0.166 4.288 4.120 0.005 0.000 0.278 325 V C 0.049 176.024 176.094 -0.199 0.000 1.021 325 V CA -0.608 61.632 62.300 -0.100 0.000 0.838 325 V CB 1.590 33.392 31.823 -0.035 0.000 0.999 325 V HN 0.600 nan 8.190 nan 0.000 0.447 326 D N 4.472 124.726 120.400 -0.244 0.000 2.325 326 D HA 0.084 4.726 4.640 0.005 0.000 0.251 326 D C 0.336 176.403 176.300 -0.387 0.000 1.196 326 D CA -0.303 53.445 54.000 -0.419 0.000 0.866 326 D CB 1.159 41.766 40.800 -0.321 0.000 1.101 326 D HN 0.648 nan 8.370 nan 0.000 0.476 327 Y N 1.197 121.220 120.300 -0.461 0.000 2.470 327 Y HA 0.142 4.695 4.550 0.004 0.000 0.284 327 Y C 1.878 177.488 175.900 -0.483 0.000 1.188 327 Y CA 0.015 57.810 58.100 -0.507 0.000 1.269 327 Y CB -0.783 37.283 38.460 -0.656 0.000 1.094 327 Y HN 0.236 nan 8.280 nan 0.000 0.518 328 T N -3.466 110.835 114.554 -0.422 0.000 3.023 328 T HA -0.037 4.315 4.350 0.005 0.000 0.266 328 T C 0.172 174.896 174.700 0.041 0.000 1.093 328 T CA 0.957 62.932 62.100 -0.207 0.000 1.129 328 T CB -0.025 68.745 68.868 -0.164 0.000 0.899 328 T HN 0.306 nan 8.240 nan 0.000 0.491 329 D N -0.038 120.345 120.400 -0.028 0.000 2.478 329 D HA 0.276 4.919 4.640 0.005 0.000 0.240 329 D C 0.478 176.765 176.300 -0.022 0.000 1.364 329 D CA -0.496 53.510 54.000 0.011 0.000 0.987 329 D CB 1.075 41.877 40.800 0.004 0.000 1.328 329 D HN 0.170 nan 8.370 nan 0.000 0.584 330 L N 1.930 123.147 121.223 -0.010 0.000 2.558 330 L HA 0.110 4.453 4.340 0.005 0.000 0.225 330 L C 1.210 178.064 176.870 -0.025 0.000 1.128 330 L CA 0.316 55.133 54.840 -0.038 0.000 0.868 330 L CB 0.219 42.243 42.059 -0.059 0.000 1.006 330 L HN 0.267 nan 8.230 nan 0.000 0.454 331 D N -0.101 120.294 120.400 -0.009 0.000 2.259 331 D HA -0.006 4.637 4.640 0.005 0.000 0.216 331 D C 0.670 176.961 176.300 -0.015 0.000 0.961 331 D CA 0.800 54.794 54.000 -0.010 0.000 0.878 331 D CB 0.141 40.942 40.800 0.001 0.000 1.009 331 D HN 0.236 nan 8.370 nan 0.000 0.490 332 N N 1.561 120.253 118.700 -0.013 0.000 3.105 332 N HA 0.141 4.883 4.740 0.005 0.000 0.256 332 N C -0.548 174.945 175.510 -0.028 0.000 1.174 332 N CA -0.212 52.827 53.050 -0.018 0.000 1.030 332 N CB 1.324 39.804 38.487 -0.013 0.000 1.305 332 N HN 0.069 nan 8.380 nan 0.000 0.509 333 L N 1.781 122.985 121.223 -0.031 0.000 2.325 333 L HA 0.162 4.504 4.340 0.005 0.000 0.284 333 L C 0.142 176.987 176.870 -0.041 0.000 1.089 333 L CA 0.016 54.833 54.840 -0.038 0.000 0.836 333 L CB 0.147 42.188 42.059 -0.030 0.000 1.184 333 L HN 0.071 nan 8.230 nan 0.000 0.444 334 K N 3.776 124.140 120.400 -0.061 0.000 2.227 334 K HA 0.506 4.829 4.320 0.005 0.000 0.280 334 K C -0.217 176.341 176.600 -0.070 0.000 1.041 334 K CA -0.339 55.908 56.287 -0.066 0.000 0.905 334 K CB 0.974 33.423 32.500 -0.085 0.000 1.068 334 K HN 0.744 nan 8.250 nan 0.000 0.470 335 T N -1.231 113.293 114.554 -0.051 0.000 2.896 335 T HA 0.411 4.763 4.350 0.005 0.000 0.297 335 T C -0.415 174.255 174.700 -0.050 0.000 1.108 335 T CA -0.833 61.239 62.100 -0.048 0.000 1.004 335 T CB 1.803 70.666 68.868 -0.008 0.000 1.159 335 T HN 0.267 nan 8.240 nan 0.000 0.499 336 T N 1.917 116.435 114.554 -0.059 0.000 2.791 336 T HA 0.440 4.793 4.350 0.005 0.000 0.288 336 T C -0.660 174.012 174.700 -0.046 0.000 0.999 336 T CA -0.604 61.463 62.100 -0.055 0.000 0.952 336 T CB 1.241 70.067 68.868 -0.069 0.000 0.938 336 T HN 0.795 nan 8.240 nan 0.000 0.444 337 E N 4.503 124.684 120.200 -0.032 0.000 2.035 337 E HA 0.308 4.661 4.350 0.005 0.000 0.271 337 E C -0.668 175.913 176.600 -0.032 0.000 0.953 337 E CA -0.463 55.922 56.400 -0.024 0.000 0.777 337 E CB 0.367 30.064 29.700 -0.005 0.000 1.104 337 E HN 0.585 nan 8.360 nan 0.000 0.408 338 I N 3.559 124.100 120.570 -0.049 0.000 2.312 338 I HA 0.087 4.260 4.170 0.005 0.000 0.291 338 I C 0.261 176.326 176.117 -0.086 0.000 1.031 338 I CA -0.434 60.826 61.300 -0.065 0.000 1.293 338 I CB 1.500 39.453 38.000 -0.078 0.000 1.403 338 I HN 0.387 nan 8.210 nan 0.000 0.484 339 S N 5.203 120.859 115.700 -0.073 0.000 2.498 339 S HA 0.372 4.844 4.470 0.005 0.000 0.281 339 S C 0.574 174.985 174.600 -0.316 0.000 1.265 339 S CA -0.202 57.932 58.200 -0.110 0.000 1.071 339 S CB 1.054 64.283 63.200 0.049 0.000 0.894 339 S HN 0.797 nan 8.310 nan 0.000 0.491 340 A N 3.525 125.998 122.820 -0.578 0.000 2.611 340 A HA 0.809 5.132 4.320 0.005 0.000 0.208 340 A C -0.180 176.849 177.584 -0.925 0.000 1.958 340 A CA -0.190 51.506 52.037 -0.569 0.000 1.718 340 A CB 0.138 18.936 19.000 -0.336 0.000 1.357 340 A HN 0.590 nan 8.150 nan 0.000 0.428 341 E N -0.142 119.664 120.200 -0.657 0.000 2.366 341 E HA 0.513 4.866 4.350 0.005 0.000 0.278 341 E C -1.097 175.381 176.600 -0.204 0.000 0.923 341 E CA -0.504 55.637 56.400 -0.431 0.000 0.761 341 E CB 1.274 30.869 29.700 -0.174 0.000 1.231 341 E HN 0.427 nan 8.360 nan 0.000 0.443 342 R N 2.201 122.689 120.500 -0.020 0.000 2.694 342 R HA 0.318 4.660 4.340 0.005 0.000 0.268 342 R C -0.348 175.780 176.300 -0.286 0.000 1.061 342 R CA 0.216 56.125 56.100 -0.319 0.000 1.133 342 R CB 0.100 30.043 30.300 -0.595 0.000 1.020 342 R HN 0.668 nan 8.270 nan 0.000 0.475 343 F N -1.231 118.726 119.950 0.011 0.000 2.937 343 F HA -0.199 4.330 4.527 0.004 0.000 0.290 343 F C -0.075 175.744 175.800 0.031 0.000 0.802 343 F CA -0.235 57.770 58.000 0.010 0.000 1.336 343 F CB -2.159 36.845 39.000 0.007 0.000 1.438 343 F HN 0.403 nan 8.300 nan 0.000 0.469 344 L N 0.415 121.683 121.223 0.075 0.000 2.525 344 L HA 0.148 4.490 4.340 0.005 0.000 0.278 344 L C 1.394 178.371 176.870 0.178 0.000 1.218 344 L CA 0.723 55.607 54.840 0.074 0.000 0.878 344 L CB 0.510 42.575 42.059 0.009 0.000 1.127 344 L HN 0.389 nan 8.230 nan 0.000 0.492 345 H N 0.916 120.021 119.070 0.058 0.000 4.819 345 H HA 0.208 4.766 4.556 0.004 0.000 0.100 345 H C -0.641 174.735 175.328 0.081 0.000 1.259 345 H CA 0.221 56.319 56.048 0.083 0.000 0.709 345 H CB 0.563 30.379 29.762 0.089 0.000 1.480 345 H HN 0.726 nan 8.280 nan 0.000 0.183 346 D N -0.107 120.257 120.400 -0.061 0.000 2.449 346 D HA 0.575 5.217 4.640 0.005 0.000 0.250 346 D C 0.338 176.659 176.300 0.035 0.000 1.050 346 D CA -0.341 53.615 54.000 -0.074 0.000 1.024 346 D CB 1.982 42.712 40.800 -0.117 0.000 1.218 346 D HN 0.715 nan 8.370 nan 0.000 0.566 347 G N -2.499 106.378 108.800 0.128 0.000 2.320 347 G HA2 0.599 4.562 3.960 0.005 0.000 0.296 347 G HA3 0.599 4.562 3.960 0.005 0.000 0.296 347 G C -1.205 173.893 174.900 0.330 0.000 1.306 347 G CA -0.340 44.851 45.100 0.151 0.000 0.836 347 G HN 0.867 nan 8.290 nan 0.000 0.517 348 G N -1.439 107.565 108.800 0.340 0.000 2.684 348 G HA2 0.662 4.625 3.960 0.005 0.000 0.290 348 G HA3 0.662 4.625 3.960 0.005 0.000 0.290 348 G C -1.018 174.165 174.900 0.471 0.000 1.425 348 G CA -0.877 44.526 45.100 0.505 0.000 0.822 348 G HN 0.696 nan 8.290 nan 0.000 0.482 349 L N 1.362 122.935 121.223 0.583 0.000 2.418 349 L HA 0.296 4.638 4.340 0.005 0.000 0.265 349 L C 0.850 177.850 176.870 0.217 0.000 1.143 349 L CA -0.993 54.032 54.840 0.308 0.000 0.809 349 L CB 0.929 43.118 42.059 0.217 0.000 1.124 349 L HN 0.770 nan 8.230 nan 0.000 0.456 350 D N 1.336 121.795 120.400 0.099 0.000 2.372 350 D HA -0.029 4.614 4.640 0.005 0.000 0.243 350 D C 1.118 177.358 176.300 -0.099 0.000 1.297 350 D CA 0.063 54.124 54.000 0.103 0.000 0.958 350 D CB 0.805 41.717 40.800 0.186 0.000 1.114 350 D HN 0.614 nan 8.370 nan 0.000 0.496 351 G N -0.805 107.950 108.800 -0.075 0.000 2.432 351 G HA2 -0.261 3.701 3.960 0.005 0.000 0.219 351 G HA3 -0.261 3.701 3.960 0.005 0.000 0.219 351 G C 1.519 176.238 174.900 -0.301 0.000 1.135 351 G CA 1.244 46.215 45.100 -0.214 0.000 0.767 351 G HN 0.592 nan 8.290 nan 0.000 0.550 352 S N -0.899 114.737 115.700 -0.107 0.000 2.562 352 S HA 0.051 4.524 4.470 0.005 0.000 0.221 352 S C 1.048 175.706 174.600 0.096 0.000 0.975 352 S CA 0.810 59.027 58.200 0.029 0.000 0.918 352 S CB -0.390 62.898 63.200 0.146 0.000 0.772 352 S HN 0.631 nan 8.310 nan 0.000 0.531 353 H N -0.405 118.674 119.070 0.014 0.000 2.992 353 H HA -0.147 4.411 4.556 0.004 0.000 0.266 353 H C 1.250 176.578 175.328 0.000 0.000 1.200 353 H CA 1.091 57.069 56.048 -0.117 0.000 1.135 353 H CB -1.393 28.134 29.762 -0.392 0.000 1.282 353 H HN 0.505 nan 8.280 nan 0.000 0.351 354 R N -0.243 120.241 120.500 -0.026 0.000 2.146 354 R HA 0.129 4.472 4.340 0.005 0.000 0.206 354 R C -0.325 175.599 176.300 -0.628 0.000 1.049 354 R CA 0.564 56.309 56.100 -0.592 0.000 1.029 354 R CB 0.567 30.295 30.300 -0.954 0.000 0.949 354 R HN 0.210 nan 8.270 nan 0.000 0.471 355 Y N -0.210 120.045 120.300 -0.074 0.000 2.352 355 Y HA 0.287 4.840 4.550 0.004 0.000 0.339 355 Y C -0.730 175.142 175.900 -0.047 0.000 0.992 355 Y CA -1.329 56.710 58.100 -0.102 0.000 1.100 355 Y CB 1.283 39.694 38.460 -0.082 0.000 1.192 355 Y HN -0.090 nan 8.280 nan 0.000 0.458 356 F N 5.180 125.061 119.950 -0.116 0.000 2.411 356 F HA 0.607 5.136 4.527 0.004 0.000 0.350 356 F C -0.850 174.786 175.800 -0.273 0.000 1.114 356 F CA -1.768 56.141 58.000 -0.153 0.000 1.135 356 F CB 0.246 39.170 39.000 -0.127 0.000 1.120 356 F HN 0.330 nan 8.300 nan 0.000 0.495 357 I N 5.884 126.006 120.570 -0.747 0.000 2.382 357 I HA 0.312 4.484 4.170 0.005 0.000 0.286 357 I C -0.250 175.209 176.117 -1.096 0.000 1.002 357 I CA -0.426 60.272 61.300 -1.003 0.000 1.135 357 I CB 1.802 39.000 38.000 -1.336 0.000 1.288 357 I HN 0.571 nan 8.210 nan 0.000 0.448 358 T N 4.679 118.676 114.554 -0.929 0.000 2.912 358 T HA 0.713 5.066 4.350 0.005 0.000 0.299 358 T C -0.753 173.763 174.700 -0.307 0.000 1.052 358 T CA -0.487 61.223 62.100 -0.649 0.000 0.996 358 T CB 1.486 69.817 68.868 -0.896 0.000 1.070 358 T HN 0.608 nan 8.240 nan 0.000 0.465 359 A N 2.879 125.630 122.820 -0.114 0.000 2.354 359 A HA 0.683 5.005 4.320 0.005 0.000 0.281 359 A C 0.655 178.246 177.584 0.012 0.000 1.174 359 A CA -0.255 51.771 52.037 -0.019 0.000 0.828 359 A CB -0.104 18.921 19.000 0.040 0.000 1.099 359 A HN 1.172 nan 8.150 nan 0.000 0.516 360 A N 3.690 126.516 122.820 0.010 0.000 2.923 360 A HA 0.358 4.681 4.320 0.005 0.000 0.306 360 A C 1.145 178.799 177.584 0.116 0.000 1.542 360 A CA -0.267 51.810 52.037 0.067 0.000 1.225 360 A CB -0.702 18.310 19.000 0.021 0.000 1.147 360 A HN 1.002 nan 8.150 nan 0.000 0.542 361 N N 2.622 121.400 118.700 0.131 0.000 2.069 361 N HA -0.214 4.529 4.740 0.005 0.000 0.191 361 N C 1.369 176.922 175.510 0.071 0.000 1.031 361 N CA 2.146 55.253 53.050 0.095 0.000 0.852 361 N CB -0.492 38.045 38.487 0.082 0.000 1.018 361 N HN 0.466 nan 8.380 nan 0.000 0.423 362 A N -0.144 122.713 122.820 0.061 0.000 2.119 362 A HA 0.072 4.395 4.320 0.005 0.000 0.217 362 A C 1.981 179.587 177.584 0.037 0.000 1.153 362 A CA 0.599 52.607 52.037 -0.048 0.000 0.692 362 A CB -0.327 18.459 19.000 -0.358 0.000 0.799 362 A HN 0.364 nan 8.150 nan 0.000 0.458 363 R N -0.700 119.877 120.500 0.128 0.000 2.432 363 R HA 0.097 4.440 4.340 0.005 0.000 0.260 363 R C -0.298 176.053 176.300 0.085 0.000 0.935 363 R CA 0.025 56.197 56.100 0.121 0.000 1.080 363 R CB 0.203 30.607 30.300 0.173 0.000 1.155 363 R HN 0.432 nan 8.270 nan 0.000 0.531 364 N N 1.456 120.206 118.700 0.083 0.000 2.725 364 N HA -0.160 4.582 4.740 0.005 0.000 0.249 364 N C -0.960 174.598 175.510 0.080 0.000 1.103 364 N CA 1.324 54.429 53.050 0.092 0.000 0.707 364 N CB -0.632 37.902 38.487 0.078 0.000 1.043 364 N HN 0.179 nan 8.380 nan 0.000 0.553 365 K N 0.430 120.865 120.400 0.057 0.000 2.208 365 K HA 0.554 4.876 4.320 0.005 0.000 0.247 365 K C 0.526 177.121 176.600 -0.008 0.000 0.953 365 K CA -0.596 55.705 56.287 0.022 0.000 0.837 365 K CB 1.781 34.281 32.500 0.000 0.000 1.131 365 K HN 0.048 nan 8.250 nan 0.000 0.431 366 L N 1.717 122.919 121.223 -0.036 0.000 2.307 366 L HA 0.432 4.775 4.340 0.005 0.000 0.284 366 L C -0.334 176.425 176.870 -0.186 0.000 1.023 366 L CA -1.200 53.573 54.840 -0.111 0.000 0.810 366 L CB 1.657 43.667 42.059 -0.083 0.000 1.231 366 L HN 0.107 nan 8.230 nan 0.000 0.423 367 V N 4.197 123.945 119.914 -0.275 0.000 2.435 367 V HA 0.416 4.539 4.120 0.005 0.000 0.290 367 V C -0.040 175.790 176.094 -0.440 0.000 1.030 367 V CA -0.612 61.499 62.300 -0.316 0.000 0.881 367 V CB 2.135 33.781 31.823 -0.295 0.000 0.983 367 V HN 0.420 nan 8.190 nan 0.000 0.445 368 V N 5.948 125.592 119.914 -0.451 0.000 2.409 368 V HA 0.524 4.647 4.120 0.005 0.000 0.291 368 V C -0.394 175.428 176.094 -0.454 0.000 1.020 368 V CA -0.536 61.413 62.300 -0.586 0.000 0.848 368 V CB 1.711 32.956 31.823 -0.963 0.000 0.990 368 V HN 0.569 nan 8.190 nan 0.000 0.430 369 I N 3.235 123.624 120.570 -0.301 0.000 2.441 369 I HA 0.412 4.584 4.170 0.005 0.000 0.295 369 I C -0.188 175.872 176.117 -0.094 0.000 0.994 369 I CA -0.578 60.629 61.300 -0.155 0.000 1.144 369 I CB 1.847 39.837 38.000 -0.017 0.000 1.314 369 I HN 0.593 nan 8.210 nan 0.000 0.445 370 D N 3.976 124.318 120.400 -0.096 0.000 2.380 370 D HA 0.092 4.735 4.640 0.005 0.000 0.230 370 D C 1.273 177.423 176.300 -0.250 0.000 1.154 370 D CA -0.126 53.767 54.000 -0.179 0.000 0.859 370 D CB 1.153 41.910 40.800 -0.071 0.000 1.045 370 D HN 0.696 nan 8.370 nan 0.000 0.495 371 T N 1.150 115.503 114.554 -0.336 0.000 3.035 371 T HA -0.108 4.245 4.350 0.005 0.000 0.268 371 T C 1.572 176.120 174.700 -0.254 0.000 1.109 371 T CA 0.807 62.758 62.100 -0.248 0.000 1.119 371 T CB 0.099 68.856 68.868 -0.185 0.000 0.900 371 T HN 0.368 nan 8.240 nan 0.000 0.503 372 K N 0.645 120.809 120.400 -0.393 0.000 2.044 372 K HA -0.020 4.303 4.320 0.005 0.000 0.204 372 K C 2.075 178.592 176.600 -0.138 0.000 1.049 372 K CA 1.030 57.168 56.287 -0.248 0.000 0.945 372 K CB 0.117 32.404 32.500 -0.356 0.000 0.724 372 K HN 0.198 nan 8.250 nan 0.000 0.440 373 E N -0.428 119.683 120.200 -0.149 0.000 2.442 373 E HA 0.034 4.387 4.350 0.005 0.000 0.195 373 E C 0.607 177.154 176.600 -0.088 0.000 1.030 373 E CA 0.765 57.111 56.400 -0.091 0.000 0.869 373 E CB 0.577 30.237 29.700 -0.066 0.000 0.857 373 E HN 0.572 nan 8.360 nan 0.000 0.505 374 G N 2.721 111.455 108.800 -0.110 0.000 2.298 374 G HA2 -0.297 3.665 3.960 0.005 0.000 0.287 374 G HA3 -0.297 3.665 3.960 0.005 0.000 0.287 374 G C -0.026 174.822 174.900 -0.086 0.000 1.075 374 G CA 0.968 46.008 45.100 -0.099 0.000 0.960 374 G HN 0.338 nan 8.290 nan 0.000 0.502 375 K N -1.286 119.061 120.400 -0.089 0.000 2.532 375 K HA 0.763 5.085 4.320 0.005 0.000 0.265 375 K C -0.401 176.136 176.600 -0.105 0.000 0.948 375 K CA -1.495 54.742 56.287 -0.084 0.000 0.842 375 K CB 1.792 34.252 32.500 -0.067 0.000 1.392 375 K HN 0.501 nan 8.250 nan 0.000 0.436 376 L N 2.217 123.372 121.223 -0.113 0.000 2.453 376 L HA 0.082 4.424 4.340 0.005 0.000 0.272 376 L C 0.091 176.861 176.870 -0.167 0.000 1.182 376 L CA 0.464 55.212 54.840 -0.152 0.000 0.858 376 L CB 1.285 43.257 42.059 -0.145 0.000 1.120 376 L HN 0.713 nan 8.230 nan 0.000 0.474 377 V N 4.282 124.043 119.914 -0.255 0.000 3.307 377 V HA 0.586 4.709 4.120 0.005 0.000 0.244 377 V C 0.473 176.380 176.094 -0.312 0.000 1.196 377 V CA 0.700 62.823 62.300 -0.295 0.000 1.132 377 V CB 0.344 31.894 31.823 -0.455 0.000 0.875 377 V HN 0.974 nan 8.190 nan 0.000 0.468 378 A N -0.187 122.423 122.820 -0.351 0.000 2.608 378 A HA 0.784 5.107 4.320 0.005 0.000 0.292 378 A C -1.674 175.779 177.584 -0.218 0.000 1.066 378 A CA -0.345 51.545 52.037 -0.246 0.000 0.676 378 A CB 1.382 20.235 19.000 -0.245 0.000 1.277 378 A HN 0.098 nan 8.150 nan 0.000 0.413 379 I N 1.421 121.908 120.570 -0.137 0.000 2.500 379 I HA 0.449 4.622 4.170 0.005 0.000 0.286 379 I C -1.060 175.019 176.117 -0.063 0.000 1.063 379 I CA -0.407 60.822 61.300 -0.118 0.000 1.062 379 I CB 2.025 39.961 38.000 -0.107 0.000 1.223 379 I HN 0.535 nan 8.210 nan 0.000 0.435 380 E N 4.403 124.572 120.200 -0.051 0.000 2.272 380 E HA 0.267 4.619 4.350 0.005 0.000 0.269 380 E C -1.387 175.213 176.600 0.001 0.000 0.877 380 E CA -0.681 55.710 56.400 -0.016 0.000 0.755 380 E CB 3.027 32.726 29.700 -0.002 0.000 1.192 380 E HN 0.480 nan 8.360 nan 0.000 0.422 381 D N 1.326 121.733 120.400 0.012 0.000 2.351 381 D HA 0.021 4.663 4.640 0.005 0.000 0.251 381 D C 1.002 177.326 176.300 0.040 0.000 1.137 381 D CA 0.190 54.207 54.000 0.029 0.000 0.879 381 D CB 1.192 42.005 40.800 0.023 0.000 1.181 381 D HN 0.436 nan 8.370 nan 0.000 0.448 382 T N 0.642 115.243 114.554 0.079 0.000 3.055 382 T HA 0.144 4.497 4.350 0.005 0.000 0.265 382 T C 1.511 176.238 174.700 0.044 0.000 1.111 382 T CA 0.743 62.909 62.100 0.110 0.000 1.118 382 T CB 0.054 69.094 68.868 0.287 0.000 0.909 382 T HN 0.659 nan 8.240 nan 0.000 0.501 383 G N 0.403 109.210 108.800 0.012 0.000 2.179 383 G HA2 -0.063 3.900 3.960 0.005 0.000 0.260 383 G HA3 -0.063 3.900 3.960 0.005 0.000 0.260 383 G C 0.393 175.225 174.900 -0.113 0.000 0.977 383 G CA -0.016 45.062 45.100 -0.038 0.000 0.641 383 G HN 1.094 nan 8.290 nan 0.000 0.533 384 G N -1.326 107.357 108.800 -0.196 0.000 2.667 384 G HA2 0.609 4.571 3.960 0.005 0.000 0.310 384 G HA3 0.609 4.571 3.960 0.005 0.000 0.310 384 G C -0.627 174.164 174.900 -0.181 0.000 1.259 384 G CA -0.437 44.370 45.100 -0.488 0.000 1.019 384 G HN 0.195 nan 8.290 nan 0.000 0.496 385 Q N 0.842 120.560 119.800 -0.137 0.000 2.368 385 Q HA 0.389 4.732 4.340 0.005 0.000 0.256 385 Q C -0.455 175.649 176.000 0.174 0.000 0.980 385 Q CA -0.159 55.663 55.803 0.032 0.000 0.887 385 Q CB 1.055 29.787 28.738 -0.010 0.000 1.221 385 Q HN 0.710 nan 8.270 nan 0.000 0.458 386 T N 2.454 117.115 114.554 0.178 0.000 3.389 386 T HA -0.090 4.263 4.350 0.005 0.000 0.422 386 T C -2.426 172.362 174.700 0.146 0.000 0.767 386 T CA -0.256 61.924 62.100 0.134 0.000 2.199 386 T CB -1.109 67.794 68.868 0.058 0.000 1.700 386 T HN 0.444 nan 8.240 nan 0.000 0.698 387 P HA 0.105 nan 4.420 nan 0.000 0.266 387 P C -0.259 177.008 177.300 -0.054 0.000 1.195 387 P CA 0.294 63.231 63.100 -0.272 0.000 0.768 387 P CB 0.529 32.078 31.700 -0.253 0.000 0.838 388 H N 5.249 124.204 119.070 -0.192 0.000 2.808 388 H HA 0.216 4.774 4.556 0.004 0.000 0.268 388 H C -2.193 173.058 175.328 -0.128 0.000 1.306 388 H CA -1.847 54.141 56.048 -0.101 0.000 1.565 388 H CB 1.603 31.287 29.762 -0.129 0.000 1.632 388 H HN 0.196 nan 8.280 nan 0.000 0.525 389 P HA 0.069 nan 4.420 nan 0.000 0.227 389 P C 1.075 178.362 177.300 -0.022 0.000 1.161 389 P CA 1.511 64.542 63.100 -0.114 0.000 0.788 389 P CB 1.091 32.821 31.700 0.049 0.000 0.822 390 G N 1.724 110.469 108.800 -0.092 0.000 2.561 390 G HA2 -0.358 3.605 3.960 0.005 0.000 0.289 390 G HA3 -0.358 3.605 3.960 0.005 0.000 0.289 390 G C 0.956 175.933 174.900 0.129 0.000 1.169 390 G CA 0.490 45.717 45.100 0.212 0.000 0.980 390 G HN 0.287 nan 8.290 nan 0.000 0.550 391 R N 1.707 122.242 120.500 0.057 0.000 2.317 391 R HA 0.441 4.784 4.340 0.005 0.000 0.208 391 R C 1.454 177.775 176.300 0.034 0.000 0.914 391 R CA 1.130 57.143 56.100 -0.144 0.000 1.060 391 R CB -0.087 29.735 30.300 -0.797 0.000 1.015 391 R HN 2.016 nan 8.270 nan 0.000 0.498 392 G N 0.441 109.243 108.800 0.003 0.000 2.725 392 G HA2 -0.070 3.893 3.960 0.005 0.000 0.220 392 G HA3 -0.070 3.893 3.960 0.005 0.000 0.220 392 G C -1.021 173.778 174.900 -0.168 0.000 1.357 392 G CA -0.517 44.374 45.100 -0.348 0.000 0.866 392 G HN 0.371 nan 8.290 nan 0.000 0.548 393 A N 0.173 122.760 122.820 -0.389 0.000 2.385 393 A HA 0.718 5.041 4.320 0.005 0.000 0.290 393 A C -0.296 177.368 177.584 0.135 0.000 1.094 393 A CA -0.503 51.568 52.037 0.057 0.000 0.729 393 A CB 0.956 20.052 19.000 0.159 0.000 1.194 393 A HN 0.788 nan 8.150 nan 0.000 0.442 394 N N 1.950 120.819 118.700 0.281 0.000 2.456 394 N HA 0.766 5.508 4.740 0.005 0.000 0.288 394 N C -0.862 174.830 175.510 0.304 0.000 1.059 394 N CA 0.314 53.512 53.050 0.246 0.000 0.946 394 N CB 1.452 40.059 38.487 0.200 0.000 1.150 394 N HN 0.656 nan 8.380 nan 0.000 0.479 395 F N -2.007 118.004 119.950 0.101 0.000 2.779 395 F HA 0.524 5.054 4.527 0.005 0.000 0.316 395 F C -1.230 174.616 175.800 0.077 0.000 1.164 395 F CA -1.220 56.825 58.000 0.077 0.000 0.924 395 F CB 0.628 39.681 39.000 0.090 0.000 1.348 395 F HN -0.015 nan 8.300 nan 0.000 0.467 396 V N 2.357 122.435 119.914 0.274 0.000 2.318 396 V HA 0.215 4.337 4.120 0.005 0.000 0.271 396 V C -0.058 176.201 176.094 0.275 0.000 1.030 396 V CA -0.426 61.959 62.300 0.142 0.000 0.844 396 V CB 0.248 32.132 31.823 0.102 0.000 1.015 396 V HN 0.839 nan 8.190 nan 0.000 0.460 397 H N 8.095 127.213 119.070 0.079 0.000 2.803 397 H HA 0.170 4.729 4.556 0.005 0.000 0.330 397 H C -1.803 173.556 175.328 0.052 0.000 1.057 397 H CA -1.634 54.523 56.048 0.183 0.000 1.458 397 H CB 2.108 31.959 29.762 0.147 0.000 1.470 397 H HN 0.336 nan 8.280 nan 0.000 0.560 398 P HA -0.109 nan 4.420 nan 0.000 0.217 398 P C 0.954 178.266 177.300 0.020 0.000 1.148 398 P CA 1.466 64.532 63.100 -0.056 0.000 0.828 398 P CB 0.437 32.048 31.700 -0.147 0.000 0.783 399 T N -2.220 112.399 114.554 0.108 0.000 3.045 399 T HA 0.109 4.462 4.350 0.005 0.000 0.239 399 T C 1.100 175.796 174.700 -0.006 0.000 1.008 399 T CA 0.572 62.652 62.100 -0.033 0.000 1.143 399 T CB -0.494 68.196 68.868 -0.296 0.000 0.894 399 T HN -0.086 nan 8.240 nan 0.000 0.451 400 F N 1.803 121.827 119.950 0.123 0.000 2.615 400 F HA 0.401 4.931 4.527 0.004 0.000 0.297 400 F C 1.878 177.461 175.800 -0.361 0.000 1.124 400 F CA 0.088 57.985 58.000 -0.172 0.000 1.451 400 F CB -0.945 37.807 39.000 -0.413 0.000 1.103 400 F HN 0.366 nan 8.300 nan 0.000 0.569 401 G N -0.207 108.492 108.800 -0.170 0.000 2.615 401 G HA2 -0.188 3.775 3.960 0.005 0.000 0.218 401 G HA3 -0.188 3.775 3.960 0.005 0.000 0.218 401 G C -2.839 171.883 174.900 -0.298 0.000 1.339 401 G CA -1.298 43.477 45.100 -0.543 0.000 0.884 401 G HN -0.029 nan 8.290 nan 0.000 0.559 402 P HA 0.393 nan 4.420 nan 0.000 0.261 402 P C 0.246 177.399 177.300 -0.246 0.000 1.183 402 P CA 0.665 63.648 63.100 -0.194 0.000 0.761 402 P CB 0.878 32.503 31.700 -0.125 0.000 0.785 403 V N 1.122 120.868 119.914 -0.281 0.000 3.130 403 V HA 0.739 4.862 4.120 0.005 0.000 0.310 403 V C -1.639 174.367 176.094 -0.146 0.000 1.158 403 V CA -1.258 60.876 62.300 -0.277 0.000 1.029 403 V CB 2.426 34.012 31.823 -0.395 0.000 1.057 403 V HN 0.576 nan 8.190 nan 0.000 0.436 404 W N 2.000 123.182 121.300 -0.196 0.000 2.702 404 W HA 0.864 5.527 4.660 0.005 0.000 0.331 404 W C -0.397 176.108 176.519 -0.022 0.000 1.049 404 W CA -0.202 57.110 57.345 -0.054 0.000 1.230 404 W CB 1.868 31.349 29.460 0.033 0.000 1.408 404 W HN 1.039 nan 8.180 nan 0.000 0.492 405 A N 3.464 126.103 122.820 -0.302 0.000 2.356 405 A HA 0.797 5.119 4.320 0.005 0.000 0.323 405 A C -0.971 176.145 177.584 -0.779 0.000 1.119 405 A CA -0.542 51.313 52.037 -0.303 0.000 0.790 405 A CB 1.926 20.947 19.000 0.034 0.000 1.273 405 A HN 0.525 nan 8.150 nan 0.000 0.452 406 T N -0.038 114.235 114.554 -0.469 0.000 2.903 406 T HA 0.663 5.016 4.350 0.005 0.000 0.299 406 T C 0.022 174.574 174.700 -0.246 0.000 1.093 406 T CA 0.190 62.030 62.100 -0.432 0.000 1.002 406 T CB 1.143 69.800 68.868 -0.352 0.000 1.127 406 T HN 1.445 nan 8.240 nan 0.000 0.488 407 S N 2.382 117.967 115.700 -0.191 0.000 2.768 407 S HA 0.790 5.263 4.470 0.005 0.000 0.300 407 S C -0.976 173.492 174.600 -0.219 0.000 1.122 407 S CA -0.612 57.544 58.200 -0.074 0.000 0.995 407 S CB 0.854 64.065 63.200 0.018 0.000 1.195 407 S HN 0.828 nan 8.310 nan 0.000 0.547 408 H N -0.863 118.199 119.070 -0.013 0.000 2.768 408 H HA 0.488 5.047 4.556 0.004 0.000 0.371 408 H C 0.385 175.704 175.328 -0.015 0.000 1.151 408 H CA -0.768 55.280 56.048 0.000 0.000 1.165 408 H CB 1.473 31.228 29.762 -0.012 0.000 1.722 408 H HN 0.496 nan 8.280 nan 0.000 0.543 409 M N 0.705 120.360 119.600 0.091 0.000 2.334 409 M HA 0.070 4.552 4.480 0.005 0.000 0.266 409 M C 1.880 178.193 176.300 0.023 0.000 1.082 409 M CA 1.360 56.665 55.300 0.008 0.000 1.141 409 M CB 0.203 32.772 32.600 -0.053 0.000 1.380 409 M HN 0.845 nan 8.290 nan 0.000 0.440 410 G N 0.618 109.451 108.800 0.055 0.000 2.777 410 G HA2 0.005 3.968 3.960 0.005 0.000 0.211 410 G HA3 0.005 3.968 3.960 0.005 0.000 0.211 410 G C -0.139 174.763 174.900 0.004 0.000 1.149 410 G CA 0.317 45.429 45.100 0.020 0.000 0.785 410 G HN 0.547 nan 8.290 nan 0.000 0.536 411 D N -1.823 118.585 120.400 0.014 0.000 2.692 411 D HA 0.182 4.824 4.640 0.005 0.000 0.303 411 D C -0.237 176.065 176.300 0.005 0.000 1.278 411 D CA -0.435 53.554 54.000 -0.018 0.000 0.852 411 D CB 0.129 40.886 40.800 -0.072 0.000 1.375 411 D HN -0.048 nan 8.370 nan 0.000 0.453 412 D N -1.018 119.382 120.400 -0.000 0.000 2.328 412 D HA 0.084 4.727 4.640 0.005 0.000 0.226 412 D C 0.116 176.432 176.300 0.026 0.000 1.066 412 D CA -0.131 53.885 54.000 0.026 0.000 0.861 412 D CB -0.463 40.365 40.800 0.046 0.000 0.912 412 D HN 0.391 nan 8.370 nan 0.000 0.521 413 S N -0.492 115.188 115.700 -0.034 0.000 2.584 413 S HA 0.469 4.942 4.470 0.005 0.000 0.273 413 S C -0.029 174.574 174.600 0.005 0.000 1.311 413 S CA -0.826 57.324 58.200 -0.084 0.000 1.034 413 S CB 1.736 64.792 63.200 -0.239 0.000 0.939 413 S HN -0.019 nan 8.310 nan 0.000 0.513 414 V N 2.034 121.812 119.914 -0.226 0.000 2.448 414 V HA 0.764 4.887 4.120 0.005 0.000 0.295 414 V C 0.292 176.110 176.094 -0.461 0.000 1.025 414 V CA -0.515 61.568 62.300 -0.362 0.000 0.859 414 V CB 1.007 32.412 31.823 -0.698 0.000 0.988 414 V HN 1.209 nan 8.190 nan 0.000 0.431 415 A N 5.990 128.705 122.820 -0.175 0.000 2.350 415 A HA 0.930 5.253 4.320 0.005 0.000 0.324 415 A C -0.964 176.579 177.584 -0.068 0.000 1.118 415 A CA -0.601 51.377 52.037 -0.099 0.000 0.783 415 A CB 1.087 20.139 19.000 0.086 0.000 1.236 415 A HN 0.787 nan 8.150 nan 0.000 0.457 416 L N 2.724 123.919 121.223 -0.046 0.000 2.322 416 L HA 0.598 4.941 4.340 0.005 0.000 0.281 416 L C -0.553 176.290 176.870 -0.045 0.000 1.014 416 L CA -0.386 54.445 54.840 -0.015 0.000 0.815 416 L CB 1.655 43.717 42.059 0.005 0.000 1.247 416 L HN 0.720 nan 8.230 nan 0.000 0.421 417 I N 1.309 121.896 120.570 0.028 0.000 2.474 417 I HA 0.549 4.722 4.170 0.005 0.000 0.294 417 I C 0.535 176.584 176.117 -0.115 0.000 1.005 417 I CA -0.345 60.951 61.300 -0.007 0.000 1.113 417 I CB 1.833 39.909 38.000 0.126 0.000 1.289 417 I HN 0.657 nan 8.210 nan 0.000 0.436 418 G N 3.134 111.778 108.800 -0.259 0.000 2.442 418 G HA2 0.327 4.289 3.960 0.005 0.000 0.249 418 G HA3 0.327 4.289 3.960 0.005 0.000 0.249 418 G C 0.426 174.953 174.900 -0.622 0.000 1.263 418 G CA 0.156 45.019 45.100 -0.394 0.000 0.846 418 G HN 0.732 nan 8.290 nan 0.000 0.555 419 T N -1.467 112.732 114.554 -0.592 0.000 3.288 419 T HA 0.230 4.583 4.350 0.005 0.000 0.293 419 T C -0.169 174.139 174.700 -0.654 0.000 1.008 419 T CA -0.357 61.276 62.100 -0.778 0.000 0.929 419 T CB 0.574 69.324 68.868 -0.197 0.000 1.152 419 T HN 0.371 nan 8.240 nan 0.000 0.517 420 D N 1.851 121.899 120.400 -0.587 0.000 2.412 420 D HA 0.371 5.013 4.640 0.005 0.000 0.276 420 D C -1.886 174.252 176.300 -0.270 0.000 1.196 420 D CA -2.401 51.434 54.000 -0.275 0.000 0.905 420 D CB 1.797 42.571 40.800 -0.044 0.000 1.081 420 D HN -0.021 nan 8.370 nan 0.000 0.502 421 P HA -0.114 nan 4.420 nan 0.000 0.218 421 P C 1.175 178.435 177.300 -0.067 0.000 1.148 421 P CA 0.855 63.835 63.100 -0.201 0.000 0.822 421 P CB 0.647 32.307 31.700 -0.068 0.000 0.784 422 E N -0.509 119.683 120.200 -0.013 0.000 2.028 422 E HA -0.027 4.326 4.350 0.005 0.000 0.190 422 E C 2.262 178.844 176.600 -0.030 0.000 0.984 422 E CA 1.626 58.029 56.400 0.004 0.000 0.800 422 E CB -1.068 28.657 29.700 0.040 0.000 0.758 422 E HN 0.256 nan 8.360 nan 0.000 0.448 423 G N -0.541 108.243 108.800 -0.027 0.000 2.539 423 G HA2 -0.090 3.873 3.960 0.005 0.000 0.215 423 G HA3 -0.090 3.873 3.960 0.005 0.000 0.215 423 G C 0.231 174.928 174.900 -0.338 0.000 1.141 423 G CA 0.101 45.127 45.100 -0.124 0.000 0.806 423 G HN 0.207 nan 8.290 nan 0.000 0.533 424 H N -0.085 118.931 119.070 -0.090 0.000 2.511 424 H HA 0.258 4.816 4.556 0.004 0.000 0.228 424 H C -1.661 173.579 175.328 -0.147 0.000 1.424 424 H CA -1.344 54.645 56.048 -0.099 0.000 1.321 424 H CB 1.750 31.452 29.762 -0.100 0.000 1.720 424 H HN 0.097 nan 8.280 nan 0.000 0.512 425 P HA -0.167 nan 4.420 nan 0.000 0.216 425 P C 0.639 177.887 177.300 -0.087 0.000 1.150 425 P CA 1.196 64.245 63.100 -0.086 0.000 0.837 425 P CB 0.645 32.311 31.700 -0.056 0.000 0.786 426 D N -0.794 119.574 120.400 -0.053 0.000 2.312 426 D HA -0.063 4.580 4.640 0.005 0.000 0.211 426 D C 1.287 177.539 176.300 -0.080 0.000 0.964 426 D CA 0.743 54.715 54.000 -0.048 0.000 0.877 426 D CB -0.401 40.389 40.800 -0.018 0.000 0.924 426 D HN 0.178 nan 8.370 nan 0.000 0.515 427 N N 0.114 118.749 118.700 -0.107 0.000 2.282 427 N HA 0.107 4.849 4.740 0.005 0.000 0.185 427 N C 0.197 175.523 175.510 -0.307 0.000 1.099 427 N CA -0.044 52.895 53.050 -0.186 0.000 0.878 427 N CB 0.389 38.780 38.487 -0.159 0.000 0.993 427 N HN -0.019 nan 8.380 nan 0.000 0.481 428 A N 0.246 122.837 122.820 -0.382 0.000 2.492 428 A HA 0.196 4.519 4.320 0.005 0.000 0.254 428 A C -0.124 177.097 177.584 -0.604 0.000 1.091 428 A CA -0.138 51.435 52.037 -0.774 0.000 0.768 428 A CB -0.685 17.764 19.000 -0.919 0.000 1.028 428 A HN 0.511 nan 8.150 nan 0.000 0.498 429 W N 0.304 121.490 121.300 -0.189 0.000 4.141 429 W HA -0.216 4.446 4.660 0.004 0.000 0.336 429 W C 0.311 176.742 176.519 -0.146 0.000 1.258 429 W CA 0.763 57.998 57.345 -0.184 0.000 0.747 429 W CB -1.646 27.697 29.460 -0.194 0.000 2.338 429 W HN 0.664 nan 8.180 nan 0.000 1.410 430 K N 0.632 121.003 120.400 -0.048 0.000 2.203 430 K HA 0.480 4.802 4.320 0.005 0.000 0.251 430 K C 0.334 176.867 176.600 -0.113 0.000 0.944 430 K CA -1.273 54.970 56.287 -0.074 0.000 0.829 430 K CB 1.616 34.045 32.500 -0.120 0.000 1.125 430 K HN -0.234 nan 8.250 nan 0.000 0.430 431 I N 4.722 125.240 120.570 -0.086 0.000 2.421 431 I HA -0.016 4.157 4.170 0.005 0.000 0.291 431 I C 1.115 177.118 176.117 -0.189 0.000 1.089 431 I CA 0.439 61.679 61.300 -0.100 0.000 1.354 431 I CB -0.087 37.888 38.000 -0.042 0.000 1.413 431 I HN 0.623 nan 8.210 nan 0.000 0.513 432 L N 3.892 124.920 121.223 -0.325 0.000 2.416 432 L HA 0.193 4.535 4.340 0.005 0.000 0.216 432 L C 0.387 177.010 176.870 -0.412 0.000 1.098 432 L CA 0.656 55.131 54.840 -0.609 0.000 0.840 432 L CB -0.008 41.284 42.059 -1.278 0.000 0.981 432 L HN 0.574 nan 8.230 nan 0.000 0.462 433 D N -1.630 118.674 120.400 -0.160 0.000 2.648 433 D HA 0.330 4.973 4.640 0.005 0.000 0.244 433 D C -1.551 174.771 176.300 0.037 0.000 1.244 433 D CA -0.165 53.883 54.000 0.081 0.000 0.772 433 D CB 2.251 43.267 40.800 0.360 0.000 1.379 433 D HN -0.256 nan 8.370 nan 0.000 0.428 434 S N 1.322 117.069 115.700 0.079 0.000 2.668 434 S HA 0.750 5.223 4.470 0.005 0.000 0.277 434 S C -1.685 172.946 174.600 0.051 0.000 1.170 434 S CA -0.677 57.476 58.200 -0.079 0.000 0.994 434 S CB -0.056 63.112 63.200 -0.054 0.000 1.051 434 S HN 0.339 nan 8.310 nan 0.000 0.484 435 F N 2.403 122.376 119.950 0.039 0.000 2.645 435 F HA 0.844 5.373 4.527 0.004 0.000 0.310 435 F C -3.011 172.847 175.800 0.097 0.000 1.102 435 F CA -2.402 55.641 58.000 0.072 0.000 0.952 435 F CB 0.716 39.767 39.000 0.086 0.000 1.326 435 F HN 0.260 nan 8.300 nan 0.000 0.456 436 P HA 0.464 nan 4.420 nan 0.000 0.278 436 P C -0.906 176.683 177.300 0.483 0.000 1.238 436 P CA 0.083 63.376 63.100 0.321 0.000 0.794 436 P CB 1.797 33.667 31.700 0.283 0.000 0.955 437 A N 2.586 125.543 122.820 0.230 0.000 3.944 437 A HA 0.424 4.746 4.320 0.005 0.000 0.151 437 A C 1.638 179.061 177.584 -0.268 0.000 1.301 437 A CA -0.457 51.519 52.037 -0.101 0.000 1.020 437 A CB -0.642 18.377 19.000 0.031 0.000 1.627 437 A HN 0.451 nan 8.150 nan 0.000 0.661 438 L N -0.546 120.473 121.223 -0.341 0.000 2.093 438 L HA 0.240 4.582 4.340 0.005 0.000 0.208 438 L C 1.260 178.132 176.870 0.004 0.000 1.085 438 L CA 1.289 56.056 54.840 -0.121 0.000 0.755 438 L CB -0.287 41.699 42.059 -0.123 0.000 0.904 438 L HN 0.928 nan 8.230 nan 0.000 0.435 439 G N -2.244 106.553 108.800 -0.004 0.000 2.313 439 G HA2 0.350 4.312 3.960 0.005 0.000 0.296 439 G HA3 0.350 4.312 3.960 0.005 0.000 0.296 439 G C -0.771 174.134 174.900 0.008 0.000 1.356 439 G CA -0.442 44.666 45.100 0.014 0.000 0.833 439 G HN 0.123 nan 8.290 nan 0.000 0.552 440 G N -1.694 107.110 108.800 0.006 0.000 2.667 440 G HA2 0.558 4.521 3.960 0.005 0.000 0.250 440 G HA3 0.558 4.521 3.960 0.005 0.000 0.250 440 G C 1.303 176.201 174.900 -0.004 0.000 1.212 440 G CA 1.258 46.360 45.100 0.004 0.000 0.874 440 G HN 2.380 nan 8.290 nan 0.000 0.561 441 G N -1.458 107.337 108.800 -0.008 0.000 2.132 441 G HA2 -0.161 3.802 3.960 0.005 0.000 0.234 441 G HA3 -0.161 3.802 3.960 0.005 0.000 0.234 441 G C 0.590 175.473 174.900 -0.028 0.000 0.989 441 G CA 0.682 45.766 45.100 -0.026 0.000 0.676 441 G HN 1.344 nan 8.290 nan 0.000 0.522 442 S N -0.869 114.822 115.700 -0.014 0.000 2.564 442 S HA 0.632 5.105 4.470 0.005 0.000 0.278 442 S C 1.568 176.111 174.600 -0.096 0.000 1.333 442 S CA 0.081 58.276 58.200 -0.010 0.000 1.048 442 S CB 0.841 64.058 63.200 0.027 0.000 0.900 442 S HN 0.411 nan 8.310 nan 0.000 0.505 443 L N 2.584 123.731 121.223 -0.127 0.000 2.600 443 L HA 0.454 4.796 4.340 0.005 0.000 0.213 443 L C -0.759 175.801 176.870 -0.516 0.000 1.045 443 L CA 0.167 54.734 54.840 -0.455 0.000 0.863 443 L CB 0.254 41.979 42.059 -0.558 0.000 1.189 443 L HN 0.521 nan 8.230 nan 0.000 0.484 444 F N -0.222 119.848 119.950 0.199 0.000 2.569 444 F HA 0.502 5.032 4.527 0.005 0.000 0.312 444 F C -0.432 175.474 175.800 0.177 0.000 1.109 444 F CA -0.684 57.430 58.000 0.191 0.000 0.919 444 F CB 2.247 41.356 39.000 0.182 0.000 1.211 444 F HN -0.292 nan 8.300 nan 0.000 0.446 445 I N 2.886 123.646 120.570 0.317 0.000 2.530 445 I HA 0.668 4.841 4.170 0.005 0.000 0.297 445 I C -1.247 175.048 176.117 0.296 0.000 1.011 445 I CA -0.621 60.834 61.300 0.258 0.000 1.107 445 I CB 1.607 39.670 38.000 0.105 0.000 1.285 445 I HN 0.598 nan 8.210 nan 0.000 0.436 446 K N 3.570 124.202 120.400 0.387 0.000 2.546 446 K HA 0.662 4.985 4.320 0.005 0.000 0.264 446 K C -1.174 175.782 176.600 0.594 0.000 0.937 446 K CA -0.436 56.119 56.287 0.447 0.000 0.833 446 K CB 2.141 34.888 32.500 0.413 0.000 1.378 446 K HN 0.658 nan 8.250 nan 0.000 0.432 447 T N 0.475 115.338 114.554 0.515 0.000 2.665 447 T HA 0.466 4.819 4.350 0.005 0.000 0.303 447 T C -2.189 172.502 174.700 -0.016 0.000 1.334 447 T CA -0.473 61.865 62.100 0.396 0.000 1.011 447 T CB 0.752 69.781 68.868 0.270 0.000 1.573 447 T HN 0.573 nan 8.240 nan 0.000 0.492 448 H N 0.051 118.889 119.070 -0.386 0.000 3.046 448 H HA 0.353 4.913 4.556 0.007 0.000 0.363 448 H C -2.414 172.804 175.328 -0.183 0.000 1.203 448 H CA -1.459 54.303 56.048 -0.475 0.000 1.169 448 H CB 2.435 31.505 29.762 -1.155 0.000 1.851 448 H HN 0.320 nan 8.280 nan 0.000 0.546 449 P HA -0.115 nan 4.420 nan 0.000 0.217 449 P C 0.692 178.041 177.300 0.083 0.000 1.148 449 P CA 1.188 64.215 63.100 -0.121 0.000 0.828 449 P CB 0.393 31.973 31.700 -0.200 0.000 0.783 450 N N -1.630 117.267 118.700 0.328 0.000 2.398 450 N HA 0.021 4.763 4.740 0.005 0.000 0.188 450 N C 0.457 176.062 175.510 0.158 0.000 1.122 450 N CA 0.450 53.634 53.050 0.223 0.000 0.866 450 N CB -0.063 38.554 38.487 0.218 0.000 0.970 450 N HN 0.077 nan 8.380 nan 0.000 0.462 451 S N 0.301 116.090 115.700 0.149 0.000 2.608 451 S HA 0.185 4.657 4.470 0.005 0.000 0.291 451 S C 0.857 175.472 174.600 0.024 0.000 1.146 451 S CA -0.658 57.638 58.200 0.161 0.000 1.043 451 S CB 1.353 64.744 63.200 0.318 0.000 1.037 451 S HN 0.296 nan 8.310 nan 0.000 0.520 452 Q N 1.915 121.616 119.800 -0.165 0.000 2.280 452 Q HA 0.212 4.554 4.340 0.005 0.000 0.201 452 Q C -1.073 174.638 176.000 -0.481 0.000 0.890 452 Q CA 0.016 55.597 55.803 -0.370 0.000 0.947 452 Q CB -0.021 28.411 28.738 -0.510 0.000 1.081 452 Q HN 0.638 nan 8.270 nan 0.000 0.502 453 Y N 0.472 120.818 120.300 0.077 0.000 2.468 453 Y HA 0.531 5.082 4.550 0.002 0.000 0.342 453 Y C -0.864 175.045 175.900 0.015 0.000 1.021 453 Y CA -1.802 56.283 58.100 -0.025 0.000 1.079 453 Y CB 1.851 40.224 38.460 -0.146 0.000 1.226 453 Y HN 0.055 nan 8.280 nan 0.000 0.460 454 L N 3.514 124.811 121.223 0.125 0.000 2.342 454 L HA 0.534 4.877 4.340 0.005 0.000 0.276 454 L C -1.921 175.099 176.870 0.251 0.000 0.997 454 L CA -0.750 54.207 54.840 0.195 0.000 0.838 454 L CB 0.155 42.245 42.059 0.050 0.000 1.224 454 L HN 0.451 nan 8.230 nan 0.000 0.416 455 Y N 4.075 124.598 120.300 0.371 0.000 2.330 455 Y HA 0.670 5.222 4.550 0.003 0.000 0.336 455 Y C -0.137 175.951 175.900 0.313 0.000 1.036 455 Y CA -0.762 57.545 58.100 0.344 0.000 1.125 455 Y CB 1.798 40.527 38.460 0.447 0.000 1.194 455 Y HN 0.262 nan 8.280 nan 0.000 0.469 456 V N 3.740 123.868 119.914 0.357 0.000 2.482 456 V HA 0.253 4.375 4.120 0.005 0.000 0.295 456 V C -0.701 175.484 176.094 0.152 0.000 1.026 456 V CA -1.077 61.376 62.300 0.256 0.000 0.856 456 V CB 1.362 33.323 31.823 0.229 0.000 1.001 456 V HN 0.819 nan 8.190 nan 0.000 0.424 457 D N 3.986 124.501 120.400 0.191 0.000 2.451 457 D HA 0.702 5.345 4.640 0.005 0.000 0.259 457 D C 0.275 176.615 176.300 0.066 0.000 1.201 457 D CA -0.448 53.623 54.000 0.118 0.000 1.028 457 D CB 1.716 42.648 40.800 0.220 0.000 1.095 457 D HN 0.694 nan 8.370 nan 0.000 0.539 458 A N -0.599 122.246 122.820 0.041 0.000 2.897 458 A HA 0.309 4.632 4.320 0.005 0.000 0.230 458 A C 1.031 178.631 177.584 0.027 0.000 0.896 458 A CA -0.419 51.628 52.037 0.017 0.000 1.114 458 A CB -0.631 18.360 19.000 -0.016 0.000 1.230 458 A HN 0.457 nan 8.150 nan 0.000 0.481 459 T N 0.750 115.347 114.554 0.072 0.000 2.653 459 T HA -0.195 4.158 4.350 0.005 0.000 0.268 459 T C 1.437 176.172 174.700 0.059 0.000 1.035 459 T CA 1.919 64.086 62.100 0.111 0.000 1.154 459 T CB -0.314 68.681 68.868 0.212 0.000 0.862 459 T HN 0.483 nan 8.240 nan 0.000 0.441 460 L N 0.804 122.041 121.223 0.023 0.000 2.611 460 L HA 0.201 4.544 4.340 0.005 0.000 0.229 460 L C 1.089 177.942 176.870 -0.028 0.000 1.137 460 L CA -0.350 54.482 54.840 -0.012 0.000 0.901 460 L CB -0.486 41.554 42.059 -0.031 0.000 1.098 460 L HN 0.251 nan 8.230 nan 0.000 0.456 461 N N 2.387 121.074 118.700 -0.021 0.000 2.454 461 N HA 0.013 4.755 4.740 0.005 0.000 0.254 461 N C -1.570 173.919 175.510 -0.036 0.000 1.228 461 N CA -0.812 52.222 53.050 -0.026 0.000 0.900 461 N CB 1.504 39.978 38.487 -0.020 0.000 1.089 461 N HN -0.046 nan 8.380 nan 0.000 0.449 462 P HA 0.008 nan 4.420 nan 0.000 0.241 462 P C -0.253 177.023 177.300 -0.040 0.000 1.191 462 P CA 0.704 63.778 63.100 -0.043 0.000 0.771 462 P CB 0.282 31.958 31.700 -0.040 0.000 0.929 463 E N 0.006 120.185 120.200 -0.034 0.000 2.115 463 E HA 0.424 4.777 4.350 0.005 0.000 0.282 463 E C 1.112 177.689 176.600 -0.039 0.000 0.987 463 E CA -0.460 55.920 56.400 -0.033 0.000 0.797 463 E CB 1.073 30.758 29.700 -0.026 0.000 1.086 463 E HN -0.113 nan 8.360 nan 0.000 0.397 464 A N 4.394 127.188 122.820 -0.042 0.000 1.892 464 A HA -0.275 4.048 4.320 0.005 0.000 0.218 464 A C 1.930 179.484 177.584 -0.050 0.000 1.188 464 A CA 2.056 54.064 52.037 -0.048 0.000 0.631 464 A CB -0.451 18.520 19.000 -0.047 0.000 0.822 464 A HN 0.794 nan 8.150 nan 0.000 0.447 465 E N -0.125 120.045 120.200 -0.049 0.000 2.085 465 E HA -0.143 4.210 4.350 0.005 0.000 0.194 465 E C 1.761 178.323 176.600 -0.063 0.000 0.994 465 E CA 1.443 57.807 56.400 -0.059 0.000 0.801 465 E CB -0.287 29.382 29.700 -0.052 0.000 0.743 465 E HN 0.684 nan 8.360 nan 0.000 0.453 466 I N 0.196 120.737 120.570 -0.048 0.000 2.202 466 I HA -0.245 3.928 4.170 0.005 0.000 0.242 466 I C 2.325 178.411 176.117 -0.051 0.000 1.091 466 I CA 1.296 62.569 61.300 -0.045 0.000 1.368 466 I CB -0.409 37.575 38.000 -0.026 0.000 1.058 466 I HN 0.174 nan 8.210 nan 0.000 0.410 467 S N 0.616 116.291 115.700 -0.041 0.000 2.474 467 S HA -0.060 4.413 4.470 0.005 0.000 0.235 467 S C 1.819 176.399 174.600 -0.034 0.000 0.997 467 S CA 0.921 59.104 58.200 -0.028 0.000 0.949 467 S CB -0.698 62.487 63.200 -0.025 0.000 0.766 467 S HN 0.483 nan 8.310 nan 0.000 0.517 468 G N 0.072 108.836 108.800 -0.061 0.000 3.284 468 G HA2 0.490 4.452 3.960 0.005 0.000 0.236 468 G HA3 0.490 4.452 3.960 0.005 0.000 0.236 468 G C 0.004 174.815 174.900 -0.148 0.000 1.158 468 G CA -0.281 44.770 45.100 -0.083 0.000 0.774 468 G HN 0.470 nan 8.290 nan 0.000 0.545 469 S N -1.513 114.094 115.700 -0.156 0.000 2.671 469 S HA 0.743 5.216 4.470 0.005 0.000 0.299 469 S C -1.042 173.418 174.600 -0.233 0.000 1.116 469 S CA -0.522 57.543 58.200 -0.226 0.000 0.912 469 S CB 2.612 65.701 63.200 -0.185 0.000 1.130 469 S HN -0.037 nan 8.310 nan 0.000 0.501 470 V N 1.064 120.805 119.914 -0.288 0.000 2.709 470 V HA 0.756 4.878 4.120 0.005 0.000 0.308 470 V C -0.268 175.708 176.094 -0.197 0.000 1.062 470 V CA -0.830 61.316 62.300 -0.256 0.000 0.901 470 V CB 1.694 33.251 31.823 -0.444 0.000 1.003 470 V HN 1.037 nan 8.190 nan 0.000 0.425 471 A N 3.971 126.668 122.820 -0.206 0.000 2.331 471 A HA 0.808 5.130 4.320 0.005 0.000 0.283 471 A C -0.642 176.788 177.584 -0.257 0.000 1.142 471 A CA -0.375 51.444 52.037 -0.363 0.000 0.812 471 A CB 0.935 19.423 19.000 -0.854 0.000 1.074 471 A HN 0.829 nan 8.150 nan 0.000 0.497 472 V N 2.858 122.589 119.914 -0.305 0.000 2.482 472 V HA 0.398 4.520 4.120 0.005 0.000 0.295 472 V C -1.071 174.864 176.094 -0.266 0.000 1.026 472 V CA -0.270 61.843 62.300 -0.311 0.000 0.856 472 V CB 0.786 32.335 31.823 -0.457 0.000 1.001 472 V HN 0.719 nan 8.190 nan 0.000 0.424 473 F N 1.971 121.935 119.950 0.022 0.000 2.399 473 F HA 0.461 4.990 4.527 0.004 0.000 0.334 473 F C 0.598 176.469 175.800 0.119 0.000 1.097 473 F CA -0.551 57.499 58.000 0.084 0.000 1.076 473 F CB 1.122 40.168 39.000 0.076 0.000 1.162 473 F HN 0.420 nan 8.300 nan 0.000 0.495 474 D N 3.314 123.885 120.400 0.285 0.000 2.393 474 D HA 0.205 4.847 4.640 0.005 0.000 0.232 474 D C 1.126 177.425 176.300 -0.002 0.000 1.192 474 D CA 0.165 54.269 54.000 0.174 0.000 0.882 474 D CB 0.478 41.378 40.800 0.166 0.000 1.038 474 D HN 0.496 nan 8.370 nan 0.000 0.499 475 I N 3.163 123.661 120.570 -0.119 0.000 2.264 475 I HA -0.279 3.894 4.170 0.005 0.000 0.248 475 I C 2.275 178.295 176.117 -0.161 0.000 1.111 475 I CA 0.943 62.120 61.300 -0.204 0.000 1.382 475 I CB 0.015 37.820 38.000 -0.324 0.000 1.060 475 I HN 0.336 nan 8.210 nan 0.000 0.418 476 K N 0.724 121.037 120.400 -0.144 0.000 2.147 476 K HA -0.124 4.199 4.320 0.005 0.000 0.205 476 K C 2.001 178.540 176.600 -0.102 0.000 1.049 476 K CA 1.445 57.664 56.287 -0.113 0.000 0.936 476 K CB -0.180 32.258 32.500 -0.103 0.000 0.722 476 K HN 0.341 nan 8.250 nan 0.000 0.446 477 A N 0.705 123.474 122.820 -0.085 0.000 2.208 477 A HA 0.089 4.411 4.320 0.005 0.000 0.209 477 A C 0.817 178.342 177.584 -0.098 0.000 1.161 477 A CA 0.039 52.036 52.037 -0.067 0.000 0.782 477 A CB -0.192 18.792 19.000 -0.027 0.000 0.816 477 A HN 0.145 nan 8.150 nan 0.000 0.477 478 M N 0.750 120.253 119.600 -0.161 0.000 2.219 478 M HA 0.108 4.591 4.480 0.005 0.000 0.353 478 M C 1.383 177.541 176.300 -0.236 0.000 1.304 478 M CA 0.575 55.748 55.300 -0.212 0.000 1.115 478 M CB 0.937 33.340 32.600 -0.330 0.000 1.664 478 M HN 0.416 nan 8.290 nan 0.000 0.459 479 T N -2.319 112.172 114.554 -0.105 0.000 2.969 479 T HA 0.270 4.622 4.350 0.005 0.000 0.250 479 T C 1.284 175.948 174.700 -0.060 0.000 1.021 479 T CA 0.382 62.435 62.100 -0.079 0.000 1.003 479 T CB 0.214 69.052 68.868 -0.050 0.000 1.040 479 T HN 0.979 nan 8.240 nan 0.000 0.492 480 G N 3.292 112.110 108.800 0.030 0.000 2.176 480 G HA2 -0.258 3.704 3.960 0.005 0.000 0.252 480 G HA3 -0.258 3.704 3.960 0.005 0.000 0.252 480 G C 0.320 175.261 174.900 0.068 0.000 1.024 480 G CA 0.476 45.568 45.100 -0.014 0.000 0.755 480 G HN 0.773 nan 8.290 nan 0.000 0.507 481 D N -0.801 119.632 120.400 0.055 0.000 2.349 481 D HA 0.357 5.000 4.640 0.005 0.000 0.224 481 D C 1.833 178.186 176.300 0.088 0.000 1.029 481 D CA 0.696 54.732 54.000 0.060 0.000 0.879 481 D CB -0.447 40.370 40.800 0.028 0.000 0.906 481 D HN 1.553 nan 8.370 nan 0.000 0.528 482 G N -0.021 108.854 108.800 0.125 0.000 2.213 482 G HA2 -0.280 3.683 3.960 0.005 0.000 0.236 482 G HA3 -0.280 3.683 3.960 0.005 0.000 0.236 482 G C 0.497 175.462 174.900 0.109 0.000 0.991 482 G CA 0.349 45.525 45.100 0.126 0.000 0.629 482 G HN 0.815 nan 8.290 nan 0.000 0.517 483 S N 0.137 115.887 115.700 0.082 0.000 2.634 483 S HA 0.563 5.035 4.470 0.005 0.000 0.261 483 S C -0.454 174.193 174.600 0.079 0.000 1.271 483 S CA -0.118 58.123 58.200 0.068 0.000 0.985 483 S CB 1.500 64.723 63.200 0.039 0.000 0.968 483 S HN 0.120 nan 8.310 nan 0.000 0.568 484 D N 2.544 122.994 120.400 0.083 0.000 2.317 484 D HA 0.434 5.076 4.640 0.005 0.000 0.234 484 D C -2.305 174.024 176.300 0.048 0.000 1.112 484 D CA -1.297 52.772 54.000 0.114 0.000 0.840 484 D CB 0.848 41.757 40.800 0.181 0.000 1.078 484 D HN 0.369 nan 8.370 nan 0.000 0.486 485 P HA 0.042 nan 4.420 nan 0.000 0.265 485 P C -0.042 177.367 177.300 0.181 0.000 1.193 485 P CA -0.019 63.059 63.100 -0.037 0.000 0.765 485 P CB 0.822 32.358 31.700 -0.273 0.000 0.823 486 E N 1.716 121.962 120.200 0.077 0.000 2.392 486 E HA 0.391 4.744 4.350 0.005 0.000 0.259 486 E C -0.275 176.304 176.600 -0.035 0.000 1.108 486 E CA -0.127 56.247 56.400 -0.044 0.000 0.916 486 E CB 0.203 29.838 29.700 -0.108 0.000 0.989 486 E HN 0.444 nan 8.360 nan 0.000 0.432 487 F N -1.844 117.951 119.950 -0.258 0.000 2.613 487 F HA 0.551 5.080 4.527 0.003 0.000 0.310 487 F C -0.667 174.941 175.800 -0.321 0.000 1.085 487 F CA -1.398 56.293 58.000 -0.515 0.000 0.945 487 F CB 1.042 39.362 39.000 -1.133 0.000 1.298 487 F HN -0.030 nan 8.300 nan 0.000 0.455 488 K N 1.400 121.749 120.400 -0.085 0.000 2.143 488 K HA 0.476 4.799 4.320 0.005 0.000 0.272 488 K C -0.864 175.737 176.600 0.002 0.000 1.001 488 K CA -0.645 55.586 56.287 -0.094 0.000 0.915 488 K CB 1.879 34.301 32.500 -0.130 0.000 1.047 488 K HN 0.797 nan 8.250 nan 0.000 0.458 489 T N 3.700 118.240 114.554 -0.024 0.000 2.756 489 T HA 0.338 4.691 4.350 0.005 0.000 0.290 489 T C 0.077 174.670 174.700 -0.177 0.000 0.985 489 T CA -0.600 61.475 62.100 -0.041 0.000 0.955 489 T CB 0.333 69.199 68.868 -0.002 0.000 0.930 489 T HN 0.248 nan 8.240 nan 0.000 0.451 490 L N 6.391 127.451 121.223 -0.271 0.000 2.275 490 L HA 0.374 4.716 4.340 0.005 0.000 0.288 490 L C -1.795 174.673 176.870 -0.670 0.000 1.046 490 L CA -2.236 52.297 54.840 -0.512 0.000 0.805 490 L CB 1.267 43.047 42.059 -0.466 0.000 1.193 490 L HN 0.355 nan 8.230 nan 0.000 0.426 491 P HA 0.101 nan 4.420 nan 0.000 0.219 491 P C 0.937 177.712 177.300 -0.874 0.000 1.832 491 P CA -0.323 62.341 63.100 -0.727 0.000 1.014 491 P CB 0.293 31.643 31.700 -0.583 0.000 1.939 492 I N 1.544 121.722 120.570 -0.653 0.000 2.127 492 I HA -0.246 3.926 4.170 0.005 0.000 0.241 492 I C 2.356 178.379 176.117 -0.157 0.000 1.075 492 I CA 1.684 62.752 61.300 -0.386 0.000 1.334 492 I CB -1.926 35.873 38.000 -0.334 0.000 1.040 492 I HN 0.156 nan 8.210 nan 0.000 0.405 493 A N 0.215 122.946 122.820 -0.147 0.000 1.933 493 A HA -0.242 4.081 4.320 0.005 0.000 0.218 493 A C 2.385 179.945 177.584 -0.041 0.000 1.175 493 A CA 1.779 53.779 52.037 -0.061 0.000 0.628 493 A CB -0.709 18.257 19.000 -0.057 0.000 0.814 493 A HN 0.543 nan 8.150 nan 0.000 0.444 494 E N -1.184 118.961 120.200 -0.092 0.000 2.077 494 E HA -0.234 4.119 4.350 0.005 0.000 0.193 494 E C 1.719 178.383 176.600 0.106 0.000 0.989 494 E CA 1.393 57.775 56.400 -0.029 0.000 0.800 494 E CB -0.229 29.421 29.700 -0.085 0.000 0.746 494 E HN 0.760 nan 8.360 nan 0.000 0.452 495 W N 0.398 121.659 121.300 -0.066 0.000 2.350 495 W HA -0.038 4.629 4.660 0.012 0.000 0.289 495 W C 2.370 178.835 176.519 -0.089 0.000 1.215 495 W CA 1.062 58.360 57.345 -0.078 0.000 1.236 495 W CB -0.990 28.419 29.460 -0.084 0.000 1.130 495 W HN 0.210 nan 8.180 nan 0.000 0.541 496 A N -0.250 122.655 122.820 0.142 0.000 2.066 496 A HA 0.277 4.600 4.320 0.005 0.000 0.218 496 A C 1.765 179.358 177.584 0.015 0.000 1.157 496 A CA 1.333 53.395 52.037 0.043 0.000 0.670 496 A CB -1.000 18.018 19.000 0.031 0.000 0.804 496 A HN 0.591 nan 8.150 nan 0.000 0.453 497 G N -0.512 108.304 108.800 0.028 0.000 2.351 497 G HA2 -0.213 3.750 3.960 0.005 0.000 0.297 497 G HA3 -0.213 3.750 3.960 0.005 0.000 0.297 497 G C -0.190 174.709 174.900 -0.002 0.000 1.054 497 G CA 0.414 45.519 45.100 0.008 0.000 1.123 497 G HN 0.523 nan 8.290 nan 0.000 0.512 498 I N 0.708 121.278 120.570 -0.000 0.000 2.355 498 I HA 0.236 4.408 4.170 0.005 0.000 0.288 498 I C 1.651 177.764 176.117 -0.008 0.000 0.999 498 I CA -0.621 60.678 61.300 -0.003 0.000 1.163 498 I CB 1.467 39.469 38.000 0.002 0.000 1.316 498 I HN 0.161 nan 8.210 nan 0.000 0.454 499 T N 3.841 118.390 114.554 -0.008 0.000 2.777 499 T HA -0.105 4.248 4.350 0.005 0.000 0.266 499 T C 0.749 175.441 174.700 -0.013 0.000 1.040 499 T CA 0.961 63.054 62.100 -0.011 0.000 1.141 499 T CB -0.138 68.724 68.868 -0.010 0.000 0.868 499 T HN 0.713 nan 8.240 nan 0.000 0.444 500 E N 1.080 121.273 120.200 -0.012 0.000 2.313 500 E HA 0.464 4.817 4.350 0.005 0.000 0.272 500 E C 0.808 177.394 176.600 -0.022 0.000 1.038 500 E CA -0.336 56.054 56.400 -0.015 0.000 0.863 500 E CB 0.838 30.532 29.700 -0.011 0.000 1.060 500 E HN 0.291 nan 8.360 nan 0.000 0.402 501 G N 2.431 111.213 108.800 -0.029 0.000 2.641 501 G HA2 -0.302 3.660 3.960 0.005 0.000 0.254 501 G HA3 -0.302 3.660 3.960 0.005 0.000 0.254 501 G C -0.632 174.241 174.900 -0.045 0.000 1.315 501 G CA 0.252 45.327 45.100 -0.042 0.000 0.907 501 G HN 0.596 nan 8.290 nan 0.000 0.572 502 Q N 1.134 120.897 119.800 -0.061 0.000 2.965 502 Q HA 0.428 4.771 4.340 0.005 0.000 0.288 502 Q C -2.205 173.748 176.000 -0.077 0.000 0.974 502 Q CA -1.209 54.556 55.803 -0.064 0.000 0.849 502 Q CB 1.582 30.279 28.738 -0.068 0.000 1.280 502 Q HN 0.646 nan 8.270 nan 0.000 0.441 503 P HA 0.038 nan 4.420 nan 0.000 0.268 503 P C -0.536 176.749 177.300 -0.024 0.000 1.205 503 P CA -0.070 63.003 63.100 -0.045 0.000 0.771 503 P CB 0.966 32.666 31.700 0.001 0.000 0.858 504 R N 1.275 121.774 120.500 -0.003 0.000 2.393 504 R HA 0.484 4.827 4.340 0.005 0.000 0.310 504 R C -0.475 175.944 176.300 0.198 0.000 0.968 504 R CA -1.097 55.044 56.100 0.068 0.000 0.867 504 R CB 1.475 31.796 30.300 0.034 0.000 1.124 504 R HN 0.254 nan 8.270 nan 0.000 0.450 505 V N 3.763 123.758 119.914 0.135 0.000 2.546 505 V HA 0.337 4.459 4.120 0.005 0.000 0.284 505 V C -0.176 176.066 176.094 0.245 0.000 1.050 505 V CA -0.283 62.110 62.300 0.155 0.000 0.981 505 V CB 1.522 33.348 31.823 0.006 0.000 0.990 505 V HN 0.486 nan 8.190 nan 0.000 0.474 506 V N 5.288 125.388 119.914 0.310 0.000 2.932 506 V HA 0.516 4.639 4.120 0.005 0.000 0.307 506 V C -0.527 175.735 176.094 0.280 0.000 1.147 506 V CA -0.350 62.159 62.300 0.347 0.000 0.951 506 V CB 1.771 33.807 31.823 0.354 0.000 1.031 506 V HN 1.059 nan 8.190 nan 0.000 0.426 507 Q N 3.201 123.181 119.800 0.300 0.000 2.449 507 Q HA -0.131 4.211 4.340 0.005 0.000 0.300 507 Q C -0.004 175.908 176.000 -0.147 0.000 1.317 507 Q CA 0.789 56.555 55.803 -0.062 0.000 0.836 507 Q CB -0.880 27.474 28.738 -0.639 0.000 0.935 507 Q HN 1.489 nan 8.270 nan 0.000 0.305 508 G N 3.018 111.730 108.800 -0.147 0.000 2.483 508 G HA2 0.336 4.298 3.960 0.005 0.000 0.248 508 G HA3 0.336 4.298 3.960 0.005 0.000 0.248 508 G C -0.485 174.169 174.900 -0.410 0.000 1.248 508 G CA 0.228 44.877 45.100 -0.751 0.000 0.838 508 G HN 0.551 nan 8.290 nan 0.000 0.566 509 E N 0.706 120.643 120.200 -0.438 0.000 2.291 509 E HA 0.501 4.854 4.350 0.005 0.000 0.276 509 E C -1.344 175.194 176.600 -0.103 0.000 0.896 509 E CA -0.706 55.594 56.400 -0.165 0.000 0.774 509 E CB 0.900 30.493 29.700 -0.178 0.000 1.227 509 E HN 0.239 nan 8.360 nan 0.000 0.413 510 F N 2.888 122.824 119.950 -0.022 0.000 2.370 510 F HA 0.344 4.872 4.527 0.002 0.000 0.324 510 F C 1.295 177.095 175.800 -0.000 0.000 1.116 510 F CA -0.389 57.629 58.000 0.030 0.000 1.123 510 F CB 0.635 39.658 39.000 0.039 0.000 1.238 510 F HN 0.535 nan 8.300 nan 0.000 0.536 511 N N 1.340 120.231 118.700 0.318 0.000 2.294 511 N HA 0.022 4.765 4.740 0.005 0.000 0.248 511 N C 0.687 176.238 175.510 0.070 0.000 1.300 511 N CA -0.403 52.770 53.050 0.203 0.000 0.925 511 N CB 0.231 38.924 38.487 0.344 0.000 1.188 511 N HN 0.694 nan 8.380 nan 0.000 0.512 512 K N -0.847 119.566 120.400 0.022 0.000 2.097 512 K HA -0.149 4.174 4.320 0.005 0.000 0.206 512 K C 0.146 176.722 176.600 -0.040 0.000 1.049 512 K CA 1.522 57.809 56.287 0.000 0.000 0.933 512 K CB -0.093 32.353 32.500 -0.091 0.000 0.717 512 K HN 0.459 nan 8.250 nan 0.000 0.442 513 D N -0.478 119.897 120.400 -0.041 0.000 2.347 513 D HA 0.030 4.673 4.640 0.005 0.000 0.215 513 D C 0.803 177.001 176.300 -0.170 0.000 0.976 513 D CA 1.077 55.046 54.000 -0.051 0.000 0.884 513 D CB 0.267 41.068 40.800 0.001 0.000 0.915 513 D HN 0.514 nan 8.370 nan 0.000 0.526 514 G N 0.883 109.465 108.800 -0.363 0.000 2.221 514 G HA2 -0.308 3.655 3.960 0.005 0.000 0.265 514 G HA3 -0.308 3.655 3.960 0.005 0.000 0.265 514 G C 1.038 175.950 174.900 0.021 0.000 1.041 514 G CA 1.109 45.790 45.100 -0.699 0.000 0.807 514 G HN 0.424 nan 8.290 nan 0.000 0.502 515 T N -3.717 110.932 114.554 0.159 0.000 3.001 515 T HA 0.477 4.829 4.350 0.005 0.000 0.251 515 T C 0.488 175.343 174.700 0.258 0.000 1.040 515 T CA 0.801 63.029 62.100 0.214 0.000 0.985 515 T CB 0.859 69.813 68.868 0.144 0.000 1.011 515 T HN 0.507 nan 8.240 nan 0.000 0.509 516 E N 0.287 120.648 120.200 0.269 0.000 2.314 516 E HA 0.634 4.986 4.350 0.005 0.000 0.272 516 E C -1.971 174.647 176.600 0.029 0.000 0.884 516 E CA -0.947 55.571 56.400 0.196 0.000 0.753 516 E CB 3.321 33.192 29.700 0.285 0.000 1.213 516 E HN 0.067 nan 8.360 nan 0.000 0.432 517 V N 2.950 122.746 119.914 -0.197 0.000 2.588 517 V HA 0.521 4.643 4.120 0.005 0.000 0.304 517 V C -1.692 174.256 176.094 -0.243 0.000 1.042 517 V CA -0.496 61.440 62.300 -0.607 0.000 0.877 517 V CB 0.788 31.753 31.823 -1.430 0.000 0.996 517 V HN 0.589 nan 8.190 nan 0.000 0.425 518 W N 5.650 126.578 121.300 -0.619 0.000 2.496 518 W HA 0.748 5.408 4.660 0.000 0.000 0.327 518 W C -0.666 175.410 176.519 -0.740 0.000 1.086 518 W CA -1.077 55.971 57.345 -0.495 0.000 1.222 518 W CB 1.165 30.379 29.460 -0.410 0.000 1.304 518 W HN 0.384 nan 8.180 nan 0.000 0.547 519 F N 0.976 120.955 119.950 0.049 0.000 2.551 519 F HA 0.453 4.982 4.527 0.003 0.000 0.316 519 F C 0.435 176.249 175.800 0.024 0.000 1.089 519 F CA -1.078 56.933 58.000 0.019 0.000 0.915 519 F CB 1.680 40.684 39.000 0.006 0.000 1.186 519 F HN -0.023 nan 8.300 nan 0.000 0.456 520 S N 1.398 117.221 115.700 0.206 0.000 2.537 520 S HA 0.515 4.987 4.470 0.005 0.000 0.275 520 S C -0.498 174.225 174.600 0.205 0.000 1.272 520 S CA -0.677 57.613 58.200 0.151 0.000 1.050 520 S CB 1.297 64.541 63.200 0.072 0.000 0.961 520 S HN 0.334 nan 8.310 nan 0.000 0.496 521 V N 4.341 124.361 119.914 0.177 0.000 2.257 521 V HA 0.217 4.340 4.120 0.005 0.000 0.269 521 V C -0.803 175.434 176.094 0.238 0.000 1.040 521 V CA -0.691 61.711 62.300 0.171 0.000 0.813 521 V CB -0.060 31.820 31.823 0.096 0.000 1.065 521 V HN 0.901 nan 8.190 nan 0.000 0.457 522 W N 6.161 127.495 121.300 0.057 0.000 2.308 522 W HA 0.548 5.211 4.660 0.004 0.000 0.311 522 W C -0.233 176.324 176.519 0.062 0.000 1.088 522 W CA -0.737 56.649 57.345 0.068 0.000 1.309 522 W CB 0.631 30.148 29.460 0.095 0.000 1.229 522 W HN 0.413 nan 8.180 nan 0.000 0.427 523 N N 2.418 121.198 118.700 0.134 0.000 2.525 523 N HA 0.621 5.363 4.740 0.005 0.000 0.288 523 N C 0.127 175.623 175.510 -0.023 0.000 1.242 523 N CA -0.320 52.702 53.050 -0.048 0.000 0.905 523 N CB 1.538 40.032 38.487 0.011 0.000 1.258 523 N HN 0.512 nan 8.380 nan 0.000 0.551 524 G N -0.127 108.644 108.800 -0.048 0.000 2.651 524 G HA2 0.045 4.007 3.960 0.005 0.000 0.260 524 G HA3 0.045 4.007 3.960 0.005 0.000 0.260 524 G C 0.874 175.830 174.900 0.093 0.000 1.216 524 G CA -0.134 44.982 45.100 0.027 0.000 0.913 524 G HN 0.642 nan 8.290 nan 0.000 0.535 525 K N -0.814 119.655 120.400 0.116 0.000 2.152 525 K HA -0.110 4.213 4.320 0.005 0.000 0.206 525 K C 0.724 177.368 176.600 0.074 0.000 1.048 525 K CA 1.687 58.038 56.287 0.108 0.000 0.933 525 K CB 0.052 32.616 32.500 0.107 0.000 0.721 525 K HN 0.449 nan 8.250 nan 0.000 0.447 526 D N 0.566 121.000 120.400 0.056 0.000 2.388 526 D HA 0.054 4.697 4.640 0.005 0.000 0.221 526 D C -0.119 176.199 176.300 0.031 0.000 1.133 526 D CA 0.288 54.312 54.000 0.040 0.000 0.831 526 D CB 0.579 41.398 40.800 0.032 0.000 0.962 526 D HN 0.343 nan 8.370 nan 0.000 0.502 527 Q N 0.086 119.907 119.800 0.035 0.000 2.552 527 Q HA 0.357 4.699 4.340 0.005 0.000 0.289 527 Q C -0.415 175.606 176.000 0.035 0.000 1.097 527 Q CA -0.841 54.977 55.803 0.024 0.000 0.812 527 Q CB 2.173 30.917 28.738 0.009 0.000 1.460 527 Q HN -0.054 nan 8.270 nan 0.000 0.452 528 E N 0.499 120.714 120.200 0.026 0.000 2.259 528 E HA 0.343 4.696 4.350 0.005 0.000 0.281 528 E C -1.068 175.558 176.600 0.044 0.000 1.027 528 E CA -0.007 56.411 56.400 0.030 0.000 0.838 528 E CB 0.932 30.641 29.700 0.016 0.000 1.066 528 E HN 0.440 nan 8.360 nan 0.000 0.401 529 S N 1.306 117.042 115.700 0.060 0.000 2.715 529 S HA 0.933 5.406 4.470 0.005 0.000 0.307 529 S C -1.177 173.455 174.600 0.054 0.000 1.119 529 S CA -0.453 57.797 58.200 0.084 0.000 0.937 529 S CB 1.862 65.144 63.200 0.138 0.000 1.150 529 S HN 0.721 nan 8.310 nan 0.000 0.521 530 A N 0.491 123.345 122.820 0.058 0.000 2.586 530 A HA 0.768 5.091 4.320 0.005 0.000 0.290 530 A C -2.165 175.431 177.584 0.020 0.000 1.086 530 A CA -0.707 51.340 52.037 0.017 0.000 0.665 530 A CB 0.699 19.694 19.000 -0.009 0.000 1.279 530 A HN 0.618 nan 8.150 nan 0.000 0.423 531 L N 0.427 121.625 121.223 -0.041 0.000 2.346 531 L HA 0.726 5.069 4.340 0.005 0.000 0.274 531 L C -0.909 175.864 176.870 -0.161 0.000 1.007 531 L CA -1.112 53.685 54.840 -0.072 0.000 0.818 531 L CB 1.836 43.825 42.059 -0.117 0.000 1.284 531 L HN 0.413 nan 8.230 nan 0.000 0.424 532 V N 3.269 123.122 119.914 -0.101 0.000 2.448 532 V HA 0.411 4.534 4.120 0.005 0.000 0.295 532 V C -0.134 175.842 176.094 -0.196 0.000 1.025 532 V CA -0.628 61.611 62.300 -0.102 0.000 0.859 532 V CB 2.325 34.208 31.823 0.099 0.000 0.988 532 V HN 0.435 nan 8.190 nan 0.000 0.431 533 V N 5.822 125.499 119.914 -0.395 0.000 2.398 533 V HA 0.479 4.602 4.120 0.005 0.000 0.286 533 V C -0.103 175.885 176.094 -0.176 0.000 1.026 533 V CA -0.560 61.444 62.300 -0.492 0.000 0.868 533 V CB 1.768 33.046 31.823 -0.908 0.000 0.982 533 V HN 0.599 nan 8.190 nan 0.000 0.443 534 V N 3.379 123.283 119.914 -0.017 0.000 2.483 534 V HA 0.311 4.434 4.120 0.005 0.000 0.295 534 V C -0.101 176.040 176.094 0.079 0.000 1.035 534 V CA -0.667 61.695 62.300 0.103 0.000 0.896 534 V CB 1.921 33.916 31.823 0.286 0.000 0.986 534 V HN 0.980 nan 8.190 nan 0.000 0.447 535 D N 2.424 122.871 120.400 0.078 0.000 2.339 535 D HA 0.068 4.710 4.640 0.005 0.000 0.256 535 D C 0.917 177.336 176.300 0.197 0.000 1.214 535 D CA 0.050 54.118 54.000 0.114 0.000 0.877 535 D CB 1.092 41.936 40.800 0.074 0.000 1.111 535 D HN 0.705 nan 8.370 nan 0.000 0.478 536 D N 2.823 123.381 120.400 0.263 0.000 2.178 536 D HA -0.164 4.478 4.640 0.005 0.000 0.202 536 D C 1.315 177.878 176.300 0.438 0.000 0.974 536 D CA 1.070 55.325 54.000 0.425 0.000 0.841 536 D CB 0.400 41.523 40.800 0.539 0.000 0.953 536 D HN 0.184 nan 8.370 nan 0.000 0.478 537 K N -0.524 120.063 120.400 0.311 0.000 2.103 537 K HA -0.024 4.298 4.320 0.005 0.000 0.204 537 K C 2.174 178.938 176.600 0.272 0.000 1.052 537 K CA 1.558 58.019 56.287 0.290 0.000 0.945 537 K CB -0.650 31.961 32.500 0.186 0.000 0.722 537 K HN 0.421 nan 8.250 nan 0.000 0.443 538 T N -2.134 112.533 114.554 0.189 0.000 2.990 538 T HA 0.220 4.573 4.350 0.005 0.000 0.250 538 T C 0.945 175.697 174.700 0.086 0.000 1.041 538 T CA -0.203 61.973 62.100 0.126 0.000 1.010 538 T CB -0.032 68.883 68.868 0.078 0.000 1.003 538 T HN 0.161 nan 8.240 nan 0.000 0.499 539 L N 0.385 121.666 121.223 0.096 0.000 4.089 539 L HA -0.165 4.178 4.340 0.005 0.000 0.408 539 L C -0.251 176.725 176.870 0.176 0.000 1.184 539 L CA 0.424 55.318 54.840 0.089 0.000 0.947 539 L CB -2.056 39.947 42.059 -0.095 0.000 2.066 539 L HN 0.507 nan 8.230 nan 0.000 0.851 540 E N 0.106 120.355 120.200 0.083 0.000 2.222 540 E HA 0.532 4.885 4.350 0.005 0.000 0.267 540 E C -0.225 176.207 176.600 -0.280 0.000 0.963 540 E CA -1.246 55.108 56.400 -0.077 0.000 0.837 540 E CB 2.126 31.767 29.700 -0.099 0.000 1.183 540 E HN 0.102 nan 8.360 nan 0.000 0.403 541 L N 2.387 123.113 121.223 -0.829 0.000 2.513 541 L HA -0.008 4.335 4.340 0.005 0.000 0.272 541 L C 0.770 177.398 176.870 -0.404 0.000 1.187 541 L CA 0.707 55.041 54.840 -0.843 0.000 0.895 541 L CB 0.502 41.768 42.059 -1.322 0.000 1.147 541 L HN 0.451 nan 8.230 nan 0.000 0.483 542 K N 3.121 123.362 120.400 -0.265 0.000 2.240 542 K HA 0.163 4.485 4.320 0.005 0.000 0.202 542 K C -0.438 176.049 176.600 -0.189 0.000 1.053 542 K CA 0.809 56.990 56.287 -0.177 0.000 0.973 542 K CB 0.062 32.495 32.500 -0.112 0.000 0.924 542 K HN 0.834 nan 8.250 nan 0.000 0.477 543 H N -1.723 117.075 119.070 -0.454 0.000 3.094 543 H HA 0.470 5.029 4.556 0.005 0.000 0.346 543 H C -1.974 173.059 175.328 -0.490 0.000 1.238 543 H CA -0.742 54.989 56.048 -0.529 0.000 1.209 543 H CB 1.547 30.741 29.762 -0.947 0.000 1.911 543 H HN -0.169 nan 8.280 nan 0.000 0.540 544 V N 5.548 125.025 119.914 -0.728 0.000 2.409 544 V HA 0.358 4.481 4.120 0.005 0.000 0.291 544 V C 0.032 175.853 176.094 -0.455 0.000 1.020 544 V CA -0.547 61.477 62.300 -0.461 0.000 0.848 544 V CB 1.270 32.905 31.823 -0.313 0.000 0.990 544 V HN 0.568 nan 8.190 nan 0.000 0.430 545 I N 5.554 125.960 120.570 -0.273 0.000 2.312 545 I HA 0.457 4.630 4.170 0.005 0.000 0.290 545 I C 0.069 176.127 176.117 -0.098 0.000 1.008 545 I CA -0.211 60.998 61.300 -0.150 0.000 1.226 545 I CB 0.832 38.730 38.000 -0.171 0.000 1.371 545 I HN 0.510 nan 8.210 nan 0.000 0.468 546 K N 5.209 125.568 120.400 -0.069 0.000 2.422 546 K HA 0.545 4.868 4.320 0.005 0.000 0.251 546 K C -1.391 175.201 176.600 -0.013 0.000 0.933 546 K CA -0.892 55.373 56.287 -0.037 0.000 0.798 546 K CB 2.752 35.225 32.500 -0.045 0.000 1.238 546 K HN 0.470 nan 8.250 nan 0.000 0.428 547 D N 1.161 121.561 120.400 0.001 0.000 2.769 547 D HA 0.034 4.677 4.640 0.005 0.000 0.219 547 D C 0.094 176.404 176.300 0.015 0.000 1.245 547 D CA -0.257 53.749 54.000 0.009 0.000 0.801 547 D CB 1.805 42.615 40.800 0.016 0.000 1.598 547 D HN 0.409 nan 8.370 nan 0.000 0.485 548 E N 1.359 121.567 120.200 0.015 0.000 2.209 548 E HA -0.128 4.225 4.350 0.005 0.000 0.196 548 E C 1.456 178.071 176.600 0.024 0.000 0.993 548 E CA 0.955 57.366 56.400 0.019 0.000 0.819 548 E CB 0.105 29.814 29.700 0.016 0.000 0.745 548 E HN 0.419 nan 8.360 nan 0.000 0.477 549 R N 0.023 120.538 120.500 0.025 0.000 2.276 549 R HA 0.037 4.380 4.340 0.005 0.000 0.203 549 R C 0.925 177.246 176.300 0.035 0.000 1.017 549 R CA -0.057 56.060 56.100 0.028 0.000 1.010 549 R CB -0.069 30.247 30.300 0.026 0.000 0.900 549 R HN -0.037 nan 8.270 nan 0.000 0.469 550 L N 2.025 123.270 121.223 0.037 0.000 2.391 550 L HA 0.129 4.472 4.340 0.005 0.000 0.249 550 L C -0.779 176.127 176.870 0.059 0.000 1.308 550 L CA 0.048 54.915 54.840 0.046 0.000 1.209 550 L CB 0.524 42.607 42.059 0.040 0.000 1.401 550 L HN -0.209 nan 8.230 nan 0.000 0.416 551 V N 2.873 122.824 119.914 0.062 0.000 2.432 551 V HA 0.228 4.351 4.120 0.005 0.000 0.275 551 V C 0.772 176.931 176.094 0.108 0.000 1.043 551 V CA 0.010 62.358 62.300 0.081 0.000 0.925 551 V CB 1.073 32.937 31.823 0.067 0.000 0.985 551 V HN 0.843 nan 8.190 nan 0.000 0.466 552 T N 4.223 118.881 114.554 0.174 0.000 3.433 552 T HA -0.117 4.236 4.350 0.005 0.000 0.412 552 T C -1.753 173.019 174.700 0.120 0.000 0.768 552 T CA -0.048 62.218 62.100 0.276 0.000 2.077 552 T CB -1.724 67.330 68.868 0.310 0.000 1.700 552 T HN 0.566 nan 8.240 nan 0.000 0.666 553 P HA 0.262 nan 4.420 nan 0.000 0.276 553 P C 0.934 178.142 177.300 -0.152 0.000 1.243 553 P CA 0.103 63.201 63.100 -0.003 0.000 0.768 553 P CB 1.593 33.323 31.700 0.049 0.000 0.856 554 T N 0.803 115.206 114.554 -0.253 0.000 2.614 554 T HA 0.369 4.722 4.350 0.005 0.000 0.163 554 T C 0.978 175.498 174.700 -0.300 0.000 0.806 554 T CA 0.115 61.952 62.100 -0.437 0.000 1.020 554 T CB -0.764 67.689 68.868 -0.691 0.000 2.539 554 T HN 0.318 nan 8.240 nan 0.000 0.380 555 G N 1.968 110.601 108.800 -0.279 0.000 2.432 555 G HA2 0.495 4.457 3.960 0.005 0.000 0.239 555 G HA3 0.495 4.457 3.960 0.005 0.000 0.239 555 G C -1.008 173.662 174.900 -0.383 0.000 1.291 555 G CA -0.418 44.477 45.100 -0.341 0.000 0.863 555 G HN 0.678 nan 8.290 nan 0.000 0.560 556 K N 0.795 120.744 120.400 -0.751 0.000 2.443 556 K HA 0.464 4.786 4.320 0.005 0.000 0.252 556 K C -1.600 174.429 176.600 -0.953 0.000 0.933 556 K CA -0.464 55.520 56.287 -0.505 0.000 0.792 556 K CB 2.293 34.689 32.500 -0.173 0.000 1.185 556 K HN 0.358 nan 8.250 nan 0.000 0.425 557 F N 1.623 121.542 119.950 -0.051 0.000 2.553 557 F HA 0.253 4.783 4.527 0.005 0.000 0.335 557 F C 0.299 175.915 175.800 -0.307 0.000 1.148 557 F CA -0.990 56.929 58.000 -0.135 0.000 0.963 557 F CB 1.367 40.328 39.000 -0.065 0.000 1.217 557 F HN 0.458 nan 8.300 nan 0.000 0.441 558 N N 2.377 120.800 118.700 -0.463 0.000 2.513 558 N HA 0.066 4.808 4.740 0.005 0.000 0.268 558 N C 0.975 176.351 175.510 -0.223 0.000 1.180 558 N CA 0.028 52.628 53.050 -0.750 0.000 0.948 558 N CB 1.506 39.415 38.487 -0.964 0.000 1.083 558 N HN 0.465 nan 8.380 nan 0.000 0.455 559 V N 4.508 124.337 119.914 -0.142 0.000 2.255 559 V HA -0.275 3.848 4.120 0.005 0.000 0.247 559 V C 1.806 177.930 176.094 0.050 0.000 1.051 559 V CA 1.754 64.059 62.300 0.008 0.000 1.018 559 V CB -1.068 30.788 31.823 0.056 0.000 0.641 559 V HN 0.751 nan 8.190 nan 0.000 0.445 560 Y N 1.610 121.889 120.300 -0.036 0.000 2.145 560 Y HA -0.215 4.340 4.550 0.009 0.000 0.286 560 Y C 2.526 178.450 175.900 0.041 0.000 1.145 560 Y CA 2.048 60.156 58.100 0.012 0.000 1.148 560 Y CB -0.253 38.219 38.460 0.020 0.000 0.981 560 Y HN 0.316 nan 8.280 nan 0.000 0.507 561 N N -0.939 117.855 118.700 0.158 0.000 2.309 561 N HA -0.119 4.623 4.740 0.005 0.000 0.182 561 N C 1.629 177.210 175.510 0.119 0.000 1.018 561 N CA 1.723 54.865 53.050 0.153 0.000 0.876 561 N CB -0.517 38.099 38.487 0.216 0.000 0.972 561 N HN 0.383 nan 8.380 nan 0.000 0.434 562 T N 1.783 116.392 114.554 0.090 0.000 2.894 562 T HA -0.005 4.348 4.350 0.005 0.000 0.258 562 T C 2.049 176.776 174.700 0.045 0.000 1.043 562 T CA 0.890 63.059 62.100 0.115 0.000 1.141 562 T CB -0.099 68.832 68.868 0.106 0.000 0.873 562 T HN 0.370 nan 8.240 nan 0.000 0.449 563 M N 2.052 121.633 119.600 -0.031 0.000 2.213 563 M HA -0.033 4.450 4.480 0.005 0.000 0.263 563 M C 2.064 178.283 176.300 -0.137 0.000 1.062 563 M CA 1.921 57.175 55.300 -0.077 0.000 1.105 563 M CB -1.138 31.403 32.600 -0.098 0.000 1.385 563 M HN 0.226 nan 8.290 nan 0.000 0.417 564 T N -3.882 110.546 114.554 -0.210 0.000 3.086 564 T HA 0.141 4.494 4.350 0.005 0.000 0.250 564 T C -0.049 174.618 174.700 -0.056 0.000 1.074 564 T CA 0.034 62.006 62.100 -0.214 0.000 0.988 564 T CB -0.311 68.314 68.868 -0.406 0.000 0.988 564 T HN 0.475 nan 8.240 nan 0.000 0.530 565 D N 1.298 121.737 120.400 0.065 0.000 2.705 565 D HA -0.109 4.534 4.640 0.005 0.000 0.240 565 D C -0.740 175.502 176.300 -0.096 0.000 1.137 565 D CA 0.882 54.966 54.000 0.139 0.000 0.677 565 D CB -1.954 38.979 40.800 0.222 0.000 1.049 565 D HN 0.429 nan 8.370 nan 0.000 0.427 566 T N 1.285 115.842 114.554 0.005 0.000 2.811 566 T HA 0.498 4.851 4.350 0.005 0.000 0.309 566 T C -0.026 174.707 174.700 0.056 0.000 1.005 566 T CA -0.445 61.634 62.100 -0.035 0.000 0.955 566 T CB 0.289 69.195 68.868 0.062 0.000 0.970 566 T HN 0.269 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.376 120.300 0.127 0.000 2.660 567 Y HA 0.000 4.552 4.550 0.004 0.000 0.201 567 Y CA 0.000 58.184 58.100 0.141 0.000 1.940 567 Y CB 0.000 38.582 38.460 0.203 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758