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 1s0i_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFAN SLIDTVAKYS VDDGETWETQ IAIKNSRASS VSRVVDPTVI DATA SEQUENCE VKGNKLYVLV GSYNSSRSYW TSHGDARDWD ILLAVGEVTK STAGGKITAS DATA SEQUENCE IKWGSPVSLK EFFPAEMEGM HTNQFLGGAG VAIVASNGNL VYPVQVTNKK DATA SEQUENCE KQVFSKIFYS EDEGKTWKFG KGRSAFGCSE PVALEWEGKL IINTRVDYRR DATA SEQUENCE RLVYESSDMG NTWLEAVGTL SRVWGPSPKS NQPGSQSSFT AVTIEGMRVM DATA SEQUENCE LFTHPLNFKG RWLRDRLNLW LTDNQRIYNV GQVSIGDENS AYSSVLYKDD DATA SEQUENCE KLYCLHEINS NEVYSLVFAR LVGELRIIKS VLQSWKNWDS HLSSIcTPAX DATA SEQUENCE XXXXXXXXGc GPAVTTVGLV GFLSHSATKT EWEDAYRCVN ASTANAERVP DATA SEQUENCE NGLKFAGVGG GALWPVSQQG QNQRYHFANH AFTLVASVTI HEVPKGASPL DATA SEQUENCE LGASLDSSGG KKLLGLSYDK RHQWQPIYGS TPVTPTGSWE MGKRYHVVLT DATA SEQUENCE MANKIGSVYI DGEPLEGSGQ TVVPDERTPD ISHFYVGGYK RSGMPTDSRV DATA SEQUENCE TVNNVLLYNR QLNAEEIRTL FLSQDLIGTE AH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.863 176.870 -0.012 0.000 1.165 1 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 1 L CB 0.000 42.063 42.059 0.007 0.000 0.961 2 A N 4.366 127.176 122.820 -0.017 0.000 2.346 2 A HA 0.745 -6.415 4.320 -19.133 0.000 0.252 2 A C -2.345 175.234 177.584 -0.009 0.000 1.089 2 A CA -0.928 51.101 52.037 -0.014 0.000 0.797 2 A CB -0.523 18.467 19.000 -0.016 0.000 1.047 2 A HN 0.537 nan 8.150 nan 0.000 0.494 3 P HA 0.267 nan 4.420 nan 0.000 0.263 3 P C 0.911 178.207 177.300 -0.006 0.000 1.195 3 P CA 1.895 64.993 63.100 -0.003 0.000 0.762 3 P CB 0.584 32.283 31.700 -0.001 0.000 0.799 4 G N 1.785 110.583 108.800 -0.003 0.000 2.234 4 G HA2 -0.221 -7.741 3.960 -19.133 0.000 0.235 4 G HA3 -0.221 -7.741 3.960 -19.133 0.000 0.235 4 G C 0.434 175.330 174.900 -0.008 0.000 0.997 4 G CA -0.048 45.049 45.100 -0.005 0.000 0.623 4 G HN 0.565 nan 8.290 nan 0.000 0.514 5 S N 0.263 115.957 115.700 -0.011 0.000 2.617 5 S HA 0.797 -6.213 4.470 -19.133 0.000 0.269 5 S C 0.376 174.976 174.600 -0.001 0.000 1.292 5 S CA 0.485 58.676 58.200 -0.015 0.000 1.010 5 S CB 1.683 64.871 63.200 -0.021 0.000 0.944 5 S HN 1.762 nan 8.310 nan 0.000 0.536 6 S N 0.657 116.357 115.700 0.001 0.000 2.636 6 S HA 0.796 -6.214 4.470 -19.133 0.000 0.268 6 S C -1.150 173.462 174.600 0.020 0.000 1.159 6 S CA -1.281 56.930 58.200 0.018 0.000 0.815 6 S CB 1.733 64.953 63.200 0.032 0.000 1.130 6 S HN 0.989 nan 8.310 nan 0.000 0.471 7 R N -0.834 119.688 120.500 0.037 0.000 2.752 7 R HA 0.874 -6.266 4.340 -19.133 0.000 0.271 7 R C -1.465 174.879 176.300 0.073 0.000 1.026 7 R CA -0.965 55.163 56.100 0.046 0.000 0.901 7 R CB 1.246 31.557 30.300 0.019 0.000 1.243 7 R HN 1.229 nan 8.270 nan 0.000 0.463 8 V N -2.559 117.419 119.914 0.106 0.000 3.102 8 V HA 0.531 -6.828 4.120 -19.133 0.000 0.312 8 V C -0.552 175.568 176.094 0.045 0.000 1.135 8 V CA -1.052 61.297 62.300 0.081 0.000 1.022 8 V CB 1.919 33.809 31.823 0.112 0.000 1.056 8 V HN 0.948 nan 8.190 nan 0.000 0.436 9 E N 0.924 121.126 120.200 0.004 0.000 2.052 9 E HA 0.266 -6.864 4.350 -19.133 0.000 0.283 9 E C -0.019 176.531 176.600 -0.084 0.000 1.071 9 E CA -0.463 55.920 56.400 -0.027 0.000 0.851 9 E CB 1.478 31.164 29.700 -0.023 0.000 1.066 9 E HN 0.746 nan 8.360 nan 0.000 0.396 10 L N 5.931 127.080 121.223 -0.123 0.000 2.189 10 L HA 0.231 -6.908 4.340 -19.133 0.000 0.199 10 L C -0.081 176.456 176.870 -0.555 0.000 1.074 10 L CA 1.300 55.923 54.840 -0.361 0.000 0.783 10 L CB 0.168 41.949 42.059 -0.463 0.000 0.955 10 L HN 0.437 nan 8.230 nan 0.000 0.460 11 F N 1.925 121.572 119.950 -0.504 0.000 2.313 11 F HA 0.351 -6.601 4.527 -19.131 0.000 0.369 11 F C 0.229 175.749 175.800 -0.467 0.000 1.109 11 F CA -0.612 56.889 58.000 -0.831 0.000 1.132 11 F CB 0.389 38.717 39.000 -1.120 0.000 1.291 11 F HN -0.160 nan 8.300 nan 0.000 0.496 12 K N 4.677 124.981 120.400 -0.159 0.000 2.267 12 K HA 0.275 -6.885 4.320 -19.133 0.000 0.282 12 K C 0.132 176.880 176.600 0.247 0.000 1.078 12 K CA -0.803 55.512 56.287 0.048 0.000 0.903 12 K CB 0.948 33.442 32.500 -0.010 0.000 1.111 12 K HN 0.614 nan 8.250 nan 0.000 0.475 13 R N 2.822 123.466 120.500 0.240 0.000 2.638 13 R HA -0.096 -7.235 4.340 -19.133 0.000 0.268 13 R C -0.415 175.917 176.300 0.053 0.000 1.006 13 R CA 0.231 56.432 56.100 0.168 0.000 1.088 13 R CB 0.053 30.381 30.300 0.046 0.000 0.950 13 R HN 0.727 nan 8.270 nan 0.000 0.419 14 Q N -0.228 119.569 119.800 -0.005 0.000 2.461 14 Q HA -0.295 -7.435 4.340 -19.133 0.000 0.264 14 Q C 0.187 176.205 176.000 0.029 0.000 1.085 14 Q CA 1.287 57.077 55.803 -0.022 0.000 1.006 14 Q CB -1.152 27.541 28.738 -0.074 0.000 1.437 14 Q HN 0.901 nan 8.270 nan 0.000 0.514 15 S N -2.110 113.640 115.700 0.083 0.000 4.193 15 S HA 0.130 -6.880 4.470 -19.133 0.000 0.211 15 S C 0.056 174.710 174.600 0.090 0.000 1.162 15 S CA 0.311 58.550 58.200 0.066 0.000 1.039 15 S CB 0.485 63.710 63.200 0.041 0.000 1.371 15 S HN 0.260 nan 8.310 nan 0.000 0.550 16 S N 3.010 118.794 115.700 0.139 0.000 2.552 16 S HA 0.303 -6.706 4.470 -19.133 0.000 0.289 16 S C -0.420 174.304 174.600 0.207 0.000 1.304 16 S CA 0.223 58.492 58.200 0.115 0.000 1.063 16 S CB 0.425 63.623 63.200 -0.003 0.000 0.848 16 S HN 0.402 nan 8.310 nan 0.000 0.499 17 K N 1.420 121.897 120.400 0.128 0.000 2.156 17 K HA 0.702 -6.458 4.320 -19.133 0.000 0.250 17 K C -0.454 176.244 176.600 0.163 0.000 0.955 17 K CA -0.893 55.484 56.287 0.149 0.000 0.855 17 K CB 1.496 34.056 32.500 0.099 0.000 1.101 17 K HN 0.466 nan 8.250 nan 0.000 0.434 18 V N -1.797 118.244 119.914 0.212 0.000 3.040 18 V HA 0.523 -6.837 4.120 -19.133 0.000 0.312 18 V C -2.778 173.455 176.094 0.232 0.000 1.115 18 V CA -2.805 59.626 62.300 0.219 0.000 0.998 18 V CB 1.812 33.797 31.823 0.270 0.000 1.042 18 V HN 0.596 nan 8.190 nan 0.000 0.433 19 P HA 0.229 nan 4.420 nan 0.000 0.268 19 P C -0.831 176.589 177.300 0.200 0.000 1.541 19 P CA 0.184 63.382 63.100 0.163 0.000 1.093 19 P CB -0.262 31.503 31.700 0.108 0.000 1.551 20 F N 3.225 123.220 119.950 0.075 0.000 2.471 20 F HA 0.215 -6.738 4.527 -19.133 0.000 0.365 20 F C 0.559 176.345 175.800 -0.023 0.000 1.095 20 F CA -0.520 57.488 58.000 0.014 0.000 1.174 20 F CB 0.611 39.546 39.000 -0.109 0.000 1.105 20 F HN 0.210 nan 8.300 nan 0.000 0.535 21 E N 7.119 126.946 120.200 -0.621 0.000 2.156 21 E HA 0.317 -6.812 4.350 -19.133 0.000 0.279 21 E C -1.343 174.811 176.600 -0.744 0.000 0.965 21 E CA -0.754 55.348 56.400 -0.496 0.000 0.789 21 E CB 0.972 30.517 29.700 -0.259 0.000 1.098 21 E HN 0.727 nan 8.360 nan 0.000 0.397 22 K N 3.983 124.099 120.400 -0.474 0.000 2.550 22 K HA 0.129 -7.030 4.320 -19.133 0.000 0.252 22 K C -1.259 175.249 176.600 -0.153 0.000 0.943 22 K CA -0.507 55.575 56.287 -0.341 0.000 0.806 22 K CB 1.040 33.363 32.500 -0.294 0.000 1.289 22 K HN 0.537 nan 8.250 nan 0.000 0.435 23 D N 2.960 123.294 120.400 -0.111 0.000 2.751 23 D HA -0.206 -7.046 4.640 -19.133 0.000 0.233 23 D C 0.662 176.929 176.300 -0.056 0.000 1.149 23 D CA 2.021 55.982 54.000 -0.064 0.000 0.682 23 D CB -1.096 39.680 40.800 -0.040 0.000 1.068 23 D HN 1.095 nan 8.370 nan 0.000 0.429 24 G N -0.424 108.334 108.800 -0.069 0.000 2.199 24 G HA2 -0.369 -7.889 3.960 -19.133 0.000 0.254 24 G HA3 -0.369 -7.889 3.960 -19.133 0.000 0.254 24 G C 0.315 175.188 174.900 -0.045 0.000 0.982 24 G CA 0.795 45.865 45.100 -0.050 0.000 0.632 24 G HN 0.652 nan 8.290 nan 0.000 0.529 25 K N 0.227 120.595 120.400 -0.054 0.000 2.164 25 K HA 0.693 -6.466 4.320 -19.133 0.000 0.258 25 K C -0.427 176.143 176.600 -0.050 0.000 0.951 25 K CA -0.717 55.550 56.287 -0.034 0.000 0.844 25 K CB 1.916 34.409 32.500 -0.012 0.000 1.099 25 K HN 0.063 nan 8.250 nan 0.000 0.435 26 V N 2.710 122.613 119.914 -0.017 0.000 2.495 26 V HA 0.445 -6.915 4.120 -19.133 0.000 0.298 26 V C -0.730 175.392 176.094 0.047 0.000 1.031 26 V CA -0.647 61.652 62.300 -0.001 0.000 0.871 26 V CB 1.890 33.716 31.823 0.006 0.000 0.988 26 V HN 0.913 nan 8.190 nan 0.000 0.432 27 T N 3.064 117.678 114.554 0.100 0.000 2.916 27 T HA 0.352 -6.778 4.350 -19.133 0.000 0.298 27 T C -0.704 174.079 174.700 0.139 0.000 1.031 27 T CA -0.657 61.511 62.100 0.113 0.000 0.993 27 T CB 1.763 70.712 68.868 0.134 0.000 1.045 27 T HN 0.587 nan 8.240 nan 0.000 0.454 28 E N 2.648 122.909 120.200 0.102 0.000 2.265 28 E HA 0.148 -6.982 4.350 -19.133 0.000 0.272 28 E C -0.007 176.657 176.600 0.106 0.000 1.067 28 E CA 0.046 56.511 56.400 0.108 0.000 0.900 28 E CB 0.889 30.634 29.700 0.075 0.000 1.017 28 E HN 0.383 nan 8.360 nan 0.000 0.431 29 R N 2.374 122.961 120.500 0.145 0.000 2.534 29 R HA 0.327 -6.812 4.340 -19.133 0.000 0.301 29 R C -0.733 175.651 176.300 0.139 0.000 0.961 29 R CA -0.698 55.464 56.100 0.103 0.000 0.871 29 R CB 1.182 31.503 30.300 0.035 0.000 1.170 29 R HN 0.196 nan 8.270 nan 0.000 0.446 30 V N 4.448 124.415 119.914 0.088 0.000 2.655 30 V HA 0.108 -7.252 4.120 -19.133 0.000 0.300 30 V C 0.064 176.211 176.094 0.088 0.000 1.044 30 V CA -0.194 62.159 62.300 0.089 0.000 1.095 30 V CB 1.311 33.166 31.823 0.053 0.000 0.952 30 V HN 0.471 nan 8.190 nan 0.000 0.485 31 V N 4.265 124.199 119.914 0.033 0.000 2.435 31 V HA 0.244 -7.115 4.120 -19.133 0.000 0.290 31 V C 1.065 177.053 176.094 -0.177 0.000 1.030 31 V CA -0.400 61.788 62.300 -0.187 0.000 0.881 31 V CB 1.203 32.636 31.823 -0.649 0.000 0.983 31 V HN 0.986 nan 8.190 nan 0.000 0.445 32 H N 2.861 121.802 119.070 -0.215 0.000 2.270 32 H HA 0.018 -6.906 4.556 -19.134 0.000 0.299 32 H C 0.468 175.702 175.328 -0.158 0.000 1.077 32 H CA 1.681 57.651 56.048 -0.130 0.000 1.294 32 H CB 0.639 30.349 29.762 -0.087 0.000 1.371 32 H HN 0.592 nan 8.280 nan 0.000 0.491 33 S N -0.987 114.660 115.700 -0.088 0.000 2.549 33 S HA 0.464 -6.545 4.470 -19.133 0.000 0.280 33 S C -1.491 172.862 174.600 -0.411 0.000 1.109 33 S CA -0.635 57.520 58.200 -0.076 0.000 0.905 33 S CB 1.939 65.256 63.200 0.195 0.000 1.081 33 S HN 0.202 nan 8.310 nan 0.000 0.477 34 F N 1.709 121.649 119.950 -0.016 0.000 2.493 34 F HA 0.632 -6.322 4.527 -19.134 0.000 0.329 34 F C 0.741 176.439 175.800 -0.171 0.000 1.126 34 F CA -0.630 57.293 58.000 -0.129 0.000 0.937 34 F CB 1.529 40.463 39.000 -0.111 0.000 1.146 34 F HN 0.233 nan 8.300 nan 0.000 0.442 35 R N 1.627 122.063 120.500 -0.107 0.000 2.885 35 R HA 0.577 -6.563 4.340 -19.133 0.000 0.260 35 R C -1.146 175.057 176.300 -0.161 0.000 1.107 35 R CA -1.128 54.850 56.100 -0.203 0.000 0.978 35 R CB 1.670 31.719 30.300 -0.419 0.000 1.227 35 R HN 0.580 nan 8.270 nan 0.000 0.473 36 L N 1.104 122.265 121.223 -0.104 0.000 3.468 36 L HA -0.097 -7.237 4.340 -19.133 0.000 0.537 36 L C -2.279 174.599 176.870 0.013 0.000 1.321 36 L CA 0.204 55.069 54.840 0.041 0.000 0.899 36 L CB -1.650 40.400 42.059 -0.015 0.000 1.635 36 L HN 0.532 nan 8.230 nan 0.000 0.856 37 P HA 0.343 nan 4.420 nan 0.000 0.271 37 P C -0.352 176.981 177.300 0.055 0.000 1.216 37 P CA 0.017 63.107 63.100 -0.017 0.000 0.771 37 P CB 1.619 33.336 31.700 0.027 0.000 0.864 38 A N 3.905 126.759 122.820 0.058 0.000 2.414 38 A HA 0.536 -6.624 4.320 -19.133 0.000 0.286 38 A C -1.421 176.255 177.584 0.154 0.000 1.073 38 A CA -0.618 51.489 52.037 0.117 0.000 0.727 38 A CB 0.857 19.931 19.000 0.124 0.000 1.215 38 A HN 0.495 nan 8.150 nan 0.000 0.430 39 L N 4.330 125.665 121.223 0.187 0.000 2.325 39 L HA 0.826 -6.314 4.340 -19.133 0.000 0.281 39 L C -0.424 176.582 176.870 0.225 0.000 1.004 39 L CA -0.337 54.645 54.840 0.237 0.000 0.823 39 L CB 1.677 43.908 42.059 0.287 0.000 1.236 39 L HN 0.977 nan 8.230 nan 0.000 0.415 40 V N 1.878 121.923 119.914 0.220 0.000 3.160 40 V HA 0.736 -6.624 4.120 -19.133 0.000 0.310 40 V C -1.157 175.030 176.094 0.155 0.000 1.181 40 V CA -0.824 61.586 62.300 0.184 0.000 1.047 40 V CB 2.093 34.020 31.823 0.174 0.000 1.068 40 V HN 0.828 nan 8.190 nan 0.000 0.441 41 N N 0.691 119.463 118.700 0.121 0.000 2.443 41 N HA 0.554 -6.185 4.740 -19.133 0.000 0.269 41 N C -1.269 174.277 175.510 0.060 0.000 0.985 41 N CA -0.439 52.658 53.050 0.079 0.000 0.921 41 N CB 1.743 40.271 38.487 0.068 0.000 1.195 41 N HN 0.701 nan 8.380 nan 0.000 0.492 42 V N 3.506 123.442 119.914 0.037 0.000 2.259 42 V HA 0.213 -7.147 4.120 -19.133 0.000 0.267 42 V C 0.100 176.187 176.094 -0.011 0.000 1.051 42 V CA -0.684 61.623 62.300 0.011 0.000 0.830 42 V CB 0.295 32.110 31.823 -0.013 0.000 1.080 42 V HN 0.794 nan 8.190 nan 0.000 0.467 43 D N 4.362 124.759 120.400 -0.005 0.000 2.720 43 D HA -0.193 -7.033 4.640 -19.133 0.000 0.229 43 D C 1.312 177.598 176.300 -0.023 0.000 1.198 43 D CA 2.033 56.025 54.000 -0.014 0.000 0.639 43 D CB -0.977 39.810 40.800 -0.021 0.000 1.003 43 D HN 1.197 nan 8.370 nan 0.000 0.411 44 G N -2.178 106.611 108.800 -0.020 0.000 2.238 44 G HA2 -0.244 -7.764 3.960 -19.133 0.000 0.217 44 G HA3 -0.244 -7.764 3.960 -19.133 0.000 0.217 44 G C 0.285 175.160 174.900 -0.042 0.000 0.996 44 G CA -0.014 45.069 45.100 -0.030 0.000 0.632 44 G HN 0.710 nan 8.290 nan 0.000 0.503 45 V N 3.071 122.964 119.914 -0.035 0.000 2.370 45 V HA 0.558 -6.801 4.120 -19.133 0.000 0.279 45 V C 0.890 176.978 176.094 -0.010 0.000 1.029 45 V CA -0.353 61.926 62.300 -0.035 0.000 0.870 45 V CB 1.489 33.291 31.823 -0.035 0.000 0.984 45 V HN 0.359 nan 8.190 nan 0.000 0.451 46 M N 4.946 124.512 119.600 -0.055 0.000 2.188 46 M HA 0.360 -6.640 4.480 -19.133 0.000 0.354 46 M C -0.828 175.565 176.300 0.156 0.000 1.342 46 M CA 0.096 55.393 55.300 -0.006 0.000 1.117 46 M CB 1.173 33.659 32.600 -0.190 0.000 1.670 46 M HN 0.420 nan 8.290 nan 0.000 0.466 47 V N 3.031 123.097 119.914 0.254 0.000 2.531 47 V HA 0.669 -6.690 4.120 -19.133 0.000 0.301 47 V C -0.364 175.952 176.094 0.370 0.000 1.034 47 V CA -0.926 61.589 62.300 0.358 0.000 0.865 47 V CB 1.754 33.747 31.823 0.283 0.000 0.995 47 V HN 0.909 nan 8.190 nan 0.000 0.424 48 A N 6.172 129.238 122.820 0.411 0.000 2.273 48 A HA 0.875 -6.285 4.320 -19.133 0.000 0.315 48 A C -0.751 177.003 177.584 0.282 0.000 1.256 48 A CA -0.376 51.844 52.037 0.305 0.000 0.851 48 A CB 0.436 19.578 19.000 0.237 0.000 1.172 48 A HN 0.773 nan 8.150 nan 0.000 0.508 49 I N 1.856 122.525 120.570 0.166 0.000 2.460 49 I HA 0.727 -6.582 4.170 -19.133 0.000 0.298 49 I C 0.451 176.531 176.117 -0.062 0.000 0.989 49 I CA -0.070 61.286 61.300 0.093 0.000 1.173 49 I CB 2.064 40.141 38.000 0.129 0.000 1.338 49 I HN 0.802 nan 8.210 nan 0.000 0.456 50 A N 3.915 126.663 122.820 -0.120 0.000 2.564 50 A HA 0.538 -6.622 4.320 -19.133 0.000 0.291 50 A C -1.828 175.680 177.584 -0.126 0.000 1.102 50 A CA -0.740 51.175 52.037 -0.202 0.000 0.660 50 A CB 1.152 19.843 19.000 -0.515 0.000 1.283 50 A HN 0.530 nan 8.150 nan 0.000 0.430 51 D N 1.058 121.377 120.400 -0.135 0.000 2.350 51 D HA 0.516 -6.323 4.640 -19.133 0.000 0.249 51 D C 0.100 176.308 176.300 -0.154 0.000 1.119 51 D CA 0.845 54.756 54.000 -0.148 0.000 0.886 51 D CB 1.486 42.171 40.800 -0.191 0.000 1.195 51 D HN 0.804 nan 8.370 nan 0.000 0.437 52 A N 3.789 126.465 122.820 -0.240 0.000 2.322 52 A HA 0.354 -6.805 4.320 -19.133 0.000 0.327 52 A C 0.011 177.194 177.584 -0.667 0.000 1.394 52 A CA -0.735 50.995 52.037 -0.512 0.000 0.921 52 A CB 0.272 18.992 19.000 -0.467 0.000 1.153 52 A HN 0.396 nan 8.150 nan 0.000 0.523 53 R N 3.078 123.230 120.500 -0.580 0.000 2.287 53 R HA 0.235 -6.904 4.340 -19.133 0.000 0.327 53 R C -0.414 175.682 176.300 -0.338 0.000 1.109 53 R CA -0.186 55.690 56.100 -0.373 0.000 1.013 53 R CB 0.303 30.441 30.300 -0.269 0.000 1.126 53 R HN 0.841 nan 8.270 nan 0.000 0.503 54 Y N 1.397 121.590 120.300 -0.179 0.000 2.181 54 Y HA -0.236 -7.165 4.550 -19.131 0.000 0.288 54 Y C 1.603 177.428 175.900 -0.125 0.000 1.146 54 Y CA 1.559 59.555 58.100 -0.174 0.000 1.164 54 Y CB 0.315 38.650 38.460 -0.208 0.000 0.982 54 Y HN 0.536 nan 8.280 nan 0.000 0.515 55 E N -1.930 118.279 120.200 0.017 0.000 2.434 55 E HA 0.118 -7.012 4.350 -19.133 0.000 0.207 55 E C 0.340 176.776 176.600 -0.273 0.000 0.929 55 E CA 0.496 56.863 56.400 -0.055 0.000 1.001 55 E CB 1.081 30.751 29.700 -0.050 0.000 1.016 55 E HN 0.105 nan 8.360 nan 0.000 0.502 56 T N -1.226 113.086 114.554 -0.404 0.000 2.775 56 T HA 0.087 -7.043 4.350 -19.133 0.000 0.320 56 T C 0.035 174.510 174.700 -0.374 0.000 1.597 56 T CA -0.130 61.558 62.100 -0.687 0.000 1.022 56 T CB 1.234 69.932 68.868 -0.283 0.000 1.485 56 T HN -0.034 nan 8.240 nan 0.000 0.494 57 S N 1.849 117.412 115.700 -0.229 0.000 2.558 57 S HA 0.221 -6.789 4.470 -19.133 0.000 0.217 57 S C 0.646 175.219 174.600 -0.046 0.000 0.975 57 S CA -0.380 57.788 58.200 -0.053 0.000 0.912 57 S CB -0.552 62.755 63.200 0.178 0.000 0.776 57 S HN 0.620 nan 8.310 nan 0.000 0.526 58 F N 3.282 123.136 119.950 -0.159 0.000 2.629 58 F HA 0.389 -6.564 4.527 -19.133 0.000 0.377 58 F C 1.472 177.171 175.800 -0.170 0.000 1.101 58 F CA -0.722 57.194 58.000 -0.141 0.000 1.301 58 F CB 0.151 39.062 39.000 -0.148 0.000 1.062 58 F HN 0.173 nan 8.300 nan 0.000 0.583 59 A N 4.664 127.074 122.820 -0.682 0.000 1.940 59 A HA -0.202 -7.362 4.320 -19.133 0.000 0.219 59 A C 1.121 178.258 177.584 -0.745 0.000 1.176 59 A CA 1.617 53.286 52.037 -0.613 0.000 0.631 59 A CB -0.608 18.144 19.000 -0.413 0.000 0.814 59 A HN 0.736 nan 8.150 nan 0.000 0.446 60 N N 0.695 118.609 118.700 -1.311 0.000 3.301 60 N HA 0.245 -6.495 4.740 -19.133 0.000 0.289 60 N C -0.512 174.789 175.510 -0.349 0.000 1.343 60 N CA 0.662 53.240 53.050 -0.786 0.000 1.136 60 N CB 0.513 38.500 38.487 -0.832 0.000 1.402 60 N HN 0.554 nan 8.380 nan 0.000 0.516 61 S N -0.925 114.643 115.700 -0.220 0.000 2.705 61 S HA 0.449 -6.561 4.470 -19.133 0.000 0.280 61 S C -0.645 173.934 174.600 -0.035 0.000 1.174 61 S CA -0.945 57.224 58.200 -0.052 0.000 0.823 61 S CB 1.382 64.582 63.200 0.000 0.000 1.162 61 S HN 0.128 nan 8.310 nan 0.000 0.487 62 L N 1.339 122.573 121.223 0.019 0.000 2.500 62 L HA 0.537 -6.602 4.340 -19.133 0.000 0.272 62 L C -1.126 175.827 176.870 0.138 0.000 1.149 62 L CA 0.596 55.489 54.840 0.089 0.000 0.897 62 L CB -0.816 41.303 42.059 0.099 0.000 1.178 62 L HN 0.587 nan 8.230 nan 0.000 0.473 63 I N 4.250 124.885 120.570 0.109 0.000 2.607 63 I HA 0.363 -6.947 4.170 -19.133 0.000 0.290 63 I C -1.012 175.146 176.117 0.067 0.000 1.129 63 I CA -0.766 60.544 61.300 0.016 0.000 1.042 63 I CB 2.037 39.983 38.000 -0.089 0.000 1.242 63 I HN 0.436 nan 8.210 nan 0.000 0.421 64 D N 2.853 123.280 120.400 0.044 0.000 2.374 64 D HA 0.436 -6.403 4.640 -19.133 0.000 0.239 64 D C -0.575 175.685 176.300 -0.068 0.000 0.991 64 D CA -0.283 53.748 54.000 0.052 0.000 0.960 64 D CB 2.235 43.154 40.800 0.199 0.000 1.284 64 D HN 0.312 nan 8.370 nan 0.000 0.512 65 T N 0.469 114.968 114.554 -0.092 0.000 2.743 65 T HA 0.358 -6.772 4.350 -19.133 0.000 0.293 65 T C -0.033 174.592 174.700 -0.124 0.000 0.945 65 T CA -0.408 61.615 62.100 -0.129 0.000 1.030 65 T CB 1.008 69.765 68.868 -0.185 0.000 0.912 65 T HN 0.086 nan 8.240 nan 0.000 0.483 66 V N 2.725 122.615 119.914 -0.041 0.000 2.713 66 V HA 0.897 -6.463 4.120 -19.133 0.000 0.307 66 V C -0.557 175.587 176.094 0.083 0.000 1.052 66 V CA -0.658 61.676 62.300 0.057 0.000 0.967 66 V CB 1.366 33.334 31.823 0.240 0.000 1.019 66 V HN 1.050 nan 8.190 nan 0.000 0.459 67 A N 5.591 128.494 122.820 0.137 0.000 2.393 67 A HA 0.802 -6.357 4.320 -19.133 0.000 0.306 67 A C -0.799 176.961 177.584 0.295 0.000 1.050 67 A CA -0.832 51.361 52.037 0.261 0.000 0.724 67 A CB 1.445 20.644 19.000 0.331 0.000 1.248 67 A HN 0.826 nan 8.150 nan 0.000 0.424 68 K N 1.112 121.693 120.400 0.302 0.000 2.270 68 K HA 0.625 -6.534 4.320 -19.133 0.000 0.255 68 K C -1.633 175.259 176.600 0.487 0.000 0.936 68 K CA -0.465 55.914 56.287 0.153 0.000 0.809 68 K CB 2.040 34.320 32.500 -0.366 0.000 1.131 68 K HN 0.751 nan 8.250 nan 0.000 0.427 69 Y N -1.774 118.761 120.300 0.392 0.000 2.553 69 Y HA 0.697 -6.233 4.550 -19.134 0.000 0.347 69 Y C -0.693 175.192 175.900 -0.025 0.000 1.019 69 Y CA -1.102 57.153 58.100 0.258 0.000 1.032 69 Y CB 2.039 40.583 38.460 0.140 0.000 1.284 69 Y HN 0.408 nan 8.280 nan 0.000 0.466 70 S N 1.086 116.644 115.700 -0.236 0.000 2.548 70 S HA 0.526 -6.483 4.470 -19.133 0.000 0.276 70 S C -0.360 174.044 174.600 -0.327 0.000 1.129 70 S CA -0.212 57.620 58.200 -0.613 0.000 0.931 70 S CB 1.494 63.749 63.200 -1.575 0.000 1.068 70 S HN 1.386 nan 8.310 nan 0.000 0.480 71 V N 0.761 120.531 119.914 -0.238 0.000 3.483 71 V HA 0.445 -6.915 4.120 -19.133 0.000 0.301 71 V C 0.169 176.161 176.094 -0.170 0.000 1.389 71 V CA 0.415 62.625 62.300 -0.149 0.000 1.101 71 V CB -0.130 31.651 31.823 -0.071 0.000 0.971 71 V HN 0.798 nan 8.190 nan 0.000 0.434 72 D N -1.103 119.145 120.400 -0.253 0.000 2.788 72 D HA 0.155 -6.685 4.640 -19.133 0.000 0.289 72 D C 0.066 176.241 176.300 -0.207 0.000 1.340 72 D CA -0.386 53.498 54.000 -0.193 0.000 0.831 72 D CB -0.523 40.179 40.800 -0.163 0.000 1.103 72 D HN 0.249 nan 8.370 nan 0.000 0.476 73 D N 0.511 120.764 120.400 -0.245 0.000 2.708 73 D HA -0.157 -6.996 4.640 -19.133 0.000 0.236 73 D C 1.244 177.413 176.300 -0.219 0.000 1.146 73 D CA 1.536 55.413 54.000 -0.205 0.000 0.662 73 D CB -1.362 39.441 40.800 0.005 0.000 1.059 73 D HN 0.742 nan 8.370 nan 0.000 0.428 74 G N -0.413 108.024 108.800 -0.604 0.000 2.157 74 G HA2 -0.365 -7.885 3.960 -19.133 0.000 0.239 74 G HA3 -0.365 -7.885 3.960 -19.133 0.000 0.239 74 G C 0.802 175.562 174.900 -0.233 0.000 0.982 74 G CA 0.731 45.435 45.100 -0.660 0.000 0.650 74 G HN 0.418 nan 8.290 nan 0.000 0.527 75 E N 0.588 120.653 120.200 -0.225 0.000 2.046 75 E HA 0.158 -6.972 4.350 -19.133 0.000 0.190 75 E C 1.728 178.265 176.600 -0.105 0.000 0.982 75 E CA 1.921 58.279 56.400 -0.070 0.000 0.800 75 E CB 0.037 29.702 29.700 -0.059 0.000 0.756 75 E HN 0.891 nan 8.360 nan 0.000 0.449 76 T N -2.734 111.643 114.554 -0.295 0.000 2.907 76 T HA 0.616 -6.514 4.350 -19.133 0.000 0.292 76 T C -1.082 173.328 174.700 -0.483 0.000 1.043 76 T CA -0.927 61.042 62.100 -0.218 0.000 1.003 76 T CB 1.101 69.882 68.868 -0.146 0.000 1.084 76 T HN 0.087 nan 8.240 nan 0.000 0.483 77 W N 0.208 121.354 121.300 -0.256 0.000 3.033 77 W HA 0.614 -6.206 4.660 -19.134 0.000 0.336 77 W C -0.253 176.034 176.519 -0.387 0.000 1.173 77 W CA -0.749 56.389 57.345 -0.345 0.000 1.185 77 W CB 1.648 30.873 29.460 -0.391 0.000 1.425 77 W HN 0.590 nan 8.180 nan 0.000 0.536 78 E N 0.892 120.874 120.200 -0.363 0.000 2.227 78 E HA 0.632 -6.498 4.350 -19.133 0.000 0.268 78 E C -0.763 175.628 176.600 -0.348 0.000 0.990 78 E CA -0.519 55.609 56.400 -0.453 0.000 0.856 78 E CB 2.045 31.256 29.700 -0.815 0.000 1.159 78 E HN 0.238 nan 8.360 nan 0.000 0.401 79 T N 1.961 116.421 114.554 -0.156 0.000 2.876 79 T HA 0.464 -6.666 4.350 -19.133 0.000 0.289 79 T C -0.360 174.389 174.700 0.082 0.000 1.014 79 T CA -0.868 61.206 62.100 -0.042 0.000 0.986 79 T CB 1.641 70.466 68.868 -0.073 0.000 1.021 79 T HN 0.442 nan 8.240 nan 0.000 0.458 80 Q N 1.436 121.327 119.800 0.152 0.000 2.648 80 Q HA 0.590 -6.550 4.340 -19.133 0.000 0.300 80 Q C -1.726 174.332 176.000 0.097 0.000 0.954 80 Q CA -1.135 54.768 55.803 0.166 0.000 0.757 80 Q CB 1.332 30.238 28.738 0.281 0.000 1.482 80 Q HN 0.366 nan 8.270 nan 0.000 0.437 81 I N 1.803 122.399 120.570 0.043 0.000 2.312 81 I HA 0.284 -7.025 4.170 -19.133 0.000 0.290 81 I C 0.770 176.721 176.117 -0.276 0.000 1.008 81 I CA -0.143 61.128 61.300 -0.049 0.000 1.226 81 I CB 0.887 38.900 38.000 0.022 0.000 1.371 81 I HN 0.995 nan 8.210 nan 0.000 0.468 82 A N 7.769 130.247 122.820 -0.569 0.000 1.898 82 A HA 0.210 -6.950 4.320 -19.133 0.000 0.214 82 A C 0.908 178.028 177.584 -0.774 0.000 1.183 82 A CA 1.060 52.273 52.037 -1.373 0.000 0.622 82 A CB 0.158 18.096 19.000 -1.770 0.000 0.824 82 A HN 0.616 nan 8.150 nan 0.000 0.444 83 I N 0.243 120.561 120.570 -0.420 0.000 2.571 83 I HA 0.233 -7.077 4.170 -19.133 0.000 0.289 83 I C -0.808 175.234 176.117 -0.126 0.000 1.115 83 I CA -0.835 60.332 61.300 -0.222 0.000 1.045 83 I CB 2.228 40.111 38.000 -0.194 0.000 1.238 83 I HN 0.272 nan 8.210 nan 0.000 0.424 84 K N 5.587 125.937 120.400 -0.084 0.000 2.110 84 K HA 0.472 -6.687 4.320 -19.133 0.000 0.263 84 K C -0.379 176.193 176.600 -0.046 0.000 0.975 84 K CA -0.777 55.481 56.287 -0.047 0.000 0.895 84 K CB 1.337 33.795 32.500 -0.070 0.000 1.060 84 K HN 0.675 nan 8.250 nan 0.000 0.448 85 N N 0.616 119.309 118.700 -0.011 0.000 2.327 85 N HA -0.096 -6.836 4.740 -19.133 0.000 0.257 85 N C 0.612 176.101 175.510 -0.035 0.000 1.281 85 N CA -0.196 52.841 53.050 -0.021 0.000 0.942 85 N CB 0.773 39.270 38.487 0.018 0.000 1.199 85 N HN 0.780 nan 8.380 nan 0.000 0.532 86 S N -0.746 114.931 115.700 -0.038 0.000 2.474 86 S HA -0.090 -7.100 4.470 -19.133 0.000 0.235 86 S C 0.648 175.230 174.600 -0.031 0.000 0.997 86 S CA 0.011 58.185 58.200 -0.043 0.000 0.949 86 S CB -0.388 62.784 63.200 -0.046 0.000 0.766 86 S HN 0.664 nan 8.310 nan 0.000 0.517 87 R N -0.435 120.057 120.500 -0.013 0.000 3.863 87 R HA -0.202 -7.342 4.340 -19.133 0.000 0.313 87 R C 1.165 177.464 176.300 -0.001 0.000 1.202 87 R CA 0.851 56.949 56.100 -0.004 0.000 0.852 87 R CB -2.646 27.634 30.300 -0.034 0.000 1.292 87 R HN 0.691 nan 8.270 nan 0.000 0.519 88 A N 0.257 123.077 122.820 0.000 0.000 1.969 88 A HA 0.004 -7.156 4.320 -19.133 0.000 0.218 88 A C 1.140 178.729 177.584 0.008 0.000 1.169 88 A CA 1.640 53.678 52.037 0.001 0.000 0.635 88 A CB 0.100 19.101 19.000 0.000 0.000 0.810 88 A HN 0.670 nan 8.150 nan 0.000 0.445 89 S N -2.809 112.901 115.700 0.016 0.000 2.688 89 S HA 0.379 -6.631 4.470 -19.133 0.000 0.275 89 S C 0.738 175.350 174.600 0.020 0.000 1.175 89 S CA 0.413 58.623 58.200 0.016 0.000 0.818 89 S CB 0.735 63.946 63.200 0.018 0.000 1.157 89 S HN 0.831 nan 8.310 nan 0.000 0.482 90 S N -0.123 115.585 115.700 0.013 0.000 2.500 90 S HA -0.063 -7.073 4.470 -19.133 0.000 0.239 90 S C 1.336 175.946 174.600 0.016 0.000 0.989 90 S CA 0.992 59.198 58.200 0.009 0.000 0.951 90 S CB -1.004 62.194 63.200 -0.002 0.000 0.759 90 S HN 1.728 nan 8.310 nan 0.000 0.523 91 V N -2.192 117.735 119.914 0.023 0.000 3.253 91 V HA 0.442 -6.918 4.120 -19.133 0.000 0.320 91 V C 0.221 176.332 176.094 0.029 0.000 1.442 91 V CA -0.673 61.640 62.300 0.022 0.000 1.097 91 V CB -0.446 31.388 31.823 0.019 0.000 1.008 91 V HN 0.254 nan 8.190 nan 0.000 0.463 92 S N 3.094 118.818 115.700 0.041 0.000 2.563 92 S HA 0.527 -6.483 4.470 -19.133 0.000 0.284 92 S C 0.205 174.836 174.600 0.052 0.000 1.331 92 S CA 0.012 58.241 58.200 0.049 0.000 1.047 92 S CB 0.207 63.428 63.200 0.035 0.000 0.859 92 S HN 0.947 nan 8.310 nan 0.000 0.514 93 R N -0.710 119.822 120.500 0.053 0.000 2.604 93 R HA 0.557 -6.583 4.340 -19.133 0.000 0.261 93 R C -1.695 174.615 176.300 0.015 0.000 1.080 93 R CA -1.058 55.063 56.100 0.035 0.000 0.917 93 R CB 0.515 30.821 30.300 0.011 0.000 1.252 93 R HN 0.391 nan 8.270 nan 0.000 0.456 94 V N -0.073 119.824 119.914 -0.027 0.000 2.435 94 V HA 0.822 -6.538 4.120 -19.133 0.000 0.290 94 V C 0.384 176.431 176.094 -0.078 0.000 1.030 94 V CA -0.687 61.569 62.300 -0.074 0.000 0.881 94 V CB 1.147 32.909 31.823 -0.102 0.000 0.983 94 V HN 0.695 nan 8.190 nan 0.000 0.445 95 V N 0.139 119.999 119.914 -0.089 0.000 2.962 95 V HA 0.715 -6.645 4.120 -19.133 0.000 0.313 95 V C -0.346 175.669 176.094 -0.131 0.000 1.099 95 V CA -0.744 61.495 62.300 -0.102 0.000 0.971 95 V CB 1.575 33.353 31.823 -0.076 0.000 1.028 95 V HN 0.899 nan 8.190 nan 0.000 0.430 96 D N 1.027 121.357 120.400 -0.117 0.000 2.735 96 D HA -0.103 -6.943 4.640 -19.133 0.000 0.235 96 D C -2.318 173.934 176.300 -0.080 0.000 1.175 96 D CA 1.123 55.071 54.000 -0.086 0.000 0.683 96 D CB -1.127 39.603 40.800 -0.116 0.000 1.008 96 D HN 0.778 nan 8.370 nan 0.000 0.416 97 P HA 0.038 nan 4.420 nan 0.000 0.265 97 P C -0.205 177.104 177.300 0.014 0.000 1.193 97 P CA 0.321 63.395 63.100 -0.044 0.000 0.765 97 P CB 0.872 32.551 31.700 -0.034 0.000 0.823 98 T N 2.537 117.107 114.554 0.027 0.000 2.812 98 T HA 0.393 -6.737 4.350 -19.133 0.000 0.282 98 T C -0.178 174.717 174.700 0.325 0.000 0.990 98 T CA -0.455 61.731 62.100 0.144 0.000 0.960 98 T CB 1.124 70.040 68.868 0.080 0.000 0.948 98 T HN 0.070 nan 8.240 nan 0.000 0.438 99 V N 4.612 124.732 119.914 0.342 0.000 2.513 99 V HA 0.601 -6.758 4.120 -19.133 0.000 0.299 99 V C -0.337 175.948 176.094 0.319 0.000 1.035 99 V CA -0.836 61.675 62.300 0.351 0.000 0.889 99 V CB 1.676 33.656 31.823 0.262 0.000 0.988 99 V HN 0.801 nan 8.190 nan 0.000 0.440 100 I N 3.901 124.657 120.570 0.310 0.000 2.498 100 I HA 0.475 -6.835 4.170 -19.133 0.000 0.290 100 I C -0.730 175.537 176.117 0.250 0.000 1.032 100 I CA -0.890 60.516 61.300 0.176 0.000 1.073 100 I CB 2.336 40.322 38.000 -0.024 0.000 1.251 100 I HN 0.267 nan 8.210 nan 0.000 0.426 101 V N 6.264 126.284 119.914 0.175 0.000 2.394 101 V HA 0.433 -6.927 4.120 -19.133 0.000 0.282 101 V C -0.125 176.058 176.094 0.149 0.000 1.031 101 V CA -0.447 61.950 62.300 0.162 0.000 0.881 101 V CB 1.543 33.434 31.823 0.114 0.000 0.982 101 V HN 0.631 nan 8.190 nan 0.000 0.451 102 K N 3.244 123.758 120.400 0.190 0.000 2.553 102 K HA 0.588 -6.572 4.320 -19.133 0.000 0.250 102 K C 0.522 177.188 176.600 0.109 0.000 0.953 102 K CA 0.318 56.691 56.287 0.143 0.000 0.800 102 K CB 1.732 34.326 32.500 0.157 0.000 1.243 102 K HN 0.910 nan 8.250 nan 0.000 0.435 103 G N 3.441 112.271 108.800 0.051 0.000 2.622 103 G HA2 -0.392 -7.911 3.960 -19.133 0.000 0.307 103 G HA3 -0.392 -7.911 3.960 -19.133 0.000 0.307 103 G C 0.091 174.989 174.900 -0.003 0.000 1.226 103 G CA 0.620 45.732 45.100 0.020 0.000 0.997 103 G HN 0.846 nan 8.290 nan 0.000 0.551 104 N N 1.106 119.786 118.700 -0.033 0.000 2.279 104 N HA 0.180 -6.560 4.740 -19.133 0.000 0.226 104 N C -0.069 175.366 175.510 -0.126 0.000 1.126 104 N CA 0.292 53.297 53.050 -0.075 0.000 0.846 104 N CB 0.458 38.892 38.487 -0.089 0.000 1.050 104 N HN 0.524 nan 8.380 nan 0.000 0.502 105 K N 0.835 121.173 120.400 -0.104 0.000 2.207 105 K HA 0.426 -6.734 4.320 -19.133 0.000 0.255 105 K C -0.518 175.977 176.600 -0.176 0.000 0.941 105 K CA -0.614 55.534 56.287 -0.231 0.000 0.825 105 K CB 2.446 34.748 32.500 -0.331 0.000 1.119 105 K HN 0.067 nan 8.250 nan 0.000 0.430 106 L N 3.117 124.175 121.223 -0.275 0.000 2.287 106 L HA 0.385 -6.755 4.340 -19.133 0.000 0.287 106 L C -0.822 176.015 176.870 -0.056 0.000 1.022 106 L CA -0.833 53.974 54.840 -0.056 0.000 0.814 106 L CB 0.514 42.566 42.059 -0.012 0.000 1.217 106 L HN 0.434 nan 8.230 nan 0.000 0.420 107 Y N 2.904 123.324 120.300 0.201 0.000 2.331 107 Y HA 0.506 -6.425 4.550 -19.133 0.000 0.338 107 Y C -0.118 176.003 175.900 0.369 0.000 0.976 107 Y CA -0.782 57.490 58.100 0.286 0.000 1.137 107 Y CB 1.659 40.298 38.460 0.299 0.000 1.172 107 Y HN 0.167 nan 8.280 nan 0.000 0.478 108 V N 5.654 125.833 119.914 0.442 0.000 2.444 108 V HA 0.321 -7.039 4.120 -19.133 0.000 0.294 108 V C -0.825 175.355 176.094 0.144 0.000 1.022 108 V CA -0.813 61.671 62.300 0.306 0.000 0.850 108 V CB 1.698 33.666 31.823 0.242 0.000 0.992 108 V HN 0.505 nan 8.190 nan 0.000 0.426 109 L N 7.730 128.940 121.223 -0.020 0.000 2.287 109 L HA 0.822 -6.318 4.340 -19.133 0.000 0.287 109 L C -0.346 176.370 176.870 -0.258 0.000 1.022 109 L CA -0.021 54.648 54.840 -0.285 0.000 0.814 109 L CB 1.547 43.117 42.059 -0.816 0.000 1.217 109 L HN 0.589 nan 8.230 nan 0.000 0.420 110 V N 2.127 121.885 119.914 -0.261 0.000 2.789 110 V HA 0.937 -6.422 4.120 -19.133 0.000 0.311 110 V C 0.388 176.276 176.094 -0.342 0.000 1.073 110 V CA -0.372 61.776 62.300 -0.253 0.000 0.921 110 V CB 1.103 32.815 31.823 -0.186 0.000 1.009 110 V HN 0.854 nan 8.190 nan 0.000 0.426 111 G N 1.172 109.780 108.800 -0.320 0.000 2.569 111 G HA2 0.491 -7.029 3.960 -19.133 0.000 0.249 111 G HA3 0.491 -7.029 3.960 -19.133 0.000 0.249 111 G C -0.257 174.419 174.900 -0.374 0.000 1.216 111 G CA 0.073 44.944 45.100 -0.381 0.000 0.845 111 G HN 1.254 nan 8.290 nan 0.000 0.568 112 S N -0.121 115.207 115.700 -0.621 0.000 2.557 112 S HA 0.680 -6.330 4.470 -19.133 0.000 0.291 112 S C -1.542 172.677 174.600 -0.635 0.000 1.116 112 S CA -0.657 57.273 58.200 -0.450 0.000 0.992 112 S CB 0.719 63.681 63.200 -0.396 0.000 1.028 112 S HN 0.434 nan 8.310 nan 0.000 0.484 113 Y N 3.187 123.443 120.300 -0.072 0.000 2.462 113 Y HA 0.480 -6.450 4.550 -19.134 0.000 0.346 113 Y C 1.119 177.013 175.900 -0.010 0.000 0.976 113 Y CA -0.874 57.230 58.100 0.007 0.000 1.044 113 Y CB 1.797 40.286 38.460 0.049 0.000 1.230 113 Y HN 0.599 nan 8.280 nan 0.000 0.455 114 N N 0.112 118.895 118.700 0.139 0.000 2.349 114 N HA -0.058 -6.797 4.740 -19.133 0.000 0.180 114 N C 1.039 176.594 175.510 0.076 0.000 1.024 114 N CA 1.435 54.528 53.050 0.071 0.000 0.869 114 N CB 0.218 38.726 38.487 0.036 0.000 1.022 114 N HN 0.608 nan 8.380 nan 0.000 0.433 115 S N -2.117 113.639 115.700 0.093 0.000 2.820 115 S HA 0.189 -6.820 4.470 -19.133 0.000 0.265 115 S C 0.301 174.927 174.600 0.044 0.000 1.043 115 S CA -0.530 57.703 58.200 0.055 0.000 1.245 115 S CB -0.002 63.218 63.200 0.033 0.000 1.187 115 S HN 0.040 nan 8.310 nan 0.000 0.673 116 S N 1.182 116.923 115.700 0.069 0.000 2.549 116 S HA 0.421 -6.588 4.470 -19.133 0.000 0.279 116 S C 0.755 175.349 174.600 -0.010 0.000 1.321 116 S CA -0.389 57.819 58.200 0.013 0.000 1.054 116 S CB 0.769 63.972 63.200 0.006 0.000 0.899 116 S HN 0.504 nan 8.310 nan 0.000 0.497 117 R N 2.060 122.555 120.500 -0.008 0.000 2.334 117 R HA 0.257 -6.883 4.340 -19.133 0.000 0.216 117 R C -0.020 176.261 176.300 -0.031 0.000 0.905 117 R CA -0.021 56.089 56.100 0.018 0.000 1.064 117 R CB 0.484 30.835 30.300 0.084 0.000 1.046 117 R HN 0.436 nan 8.270 nan 0.000 0.508 118 S N -0.053 115.636 115.700 -0.019 0.000 2.578 118 S HA 0.272 -6.738 4.470 -19.133 0.000 0.283 118 S C -0.632 173.966 174.600 -0.003 0.000 1.195 118 S CA -0.630 57.586 58.200 0.027 0.000 1.050 118 S CB 0.670 63.949 63.200 0.130 0.000 1.012 118 S HN 0.086 nan 8.310 nan 0.000 0.511 119 Y N 3.142 123.467 120.300 0.041 0.000 2.597 119 Y HA -0.062 -6.991 4.550 -19.131 0.000 0.336 119 Y C 1.646 177.462 175.900 -0.141 0.000 1.216 119 Y CA 0.004 58.071 58.100 -0.056 0.000 1.463 119 Y CB 0.351 38.784 38.460 -0.045 0.000 1.303 119 Y HN 0.872 nan 8.280 nan 0.000 0.576 120 W N 1.485 122.584 121.300 -0.334 0.000 2.342 120 W HA -0.203 -7.025 4.660 -19.137 0.000 0.297 120 W C 1.342 177.616 176.519 -0.408 0.000 1.213 120 W CA 1.888 58.822 57.345 -0.685 0.000 1.251 120 W CB -1.632 27.552 29.460 -0.460 0.000 1.136 120 W HN 0.599 nan 8.180 nan 0.000 0.526 121 T N -0.603 113.440 114.554 -0.852 0.000 3.118 121 T HA -0.042 -7.172 4.350 -19.133 0.000 0.260 121 T C 1.844 176.365 174.700 -0.297 0.000 1.139 121 T CA 1.227 62.861 62.100 -0.778 0.000 1.085 121 T CB -0.665 67.725 68.868 -0.798 0.000 0.934 121 T HN 0.265 nan 8.240 nan 0.000 0.518 122 S N -0.034 115.599 115.700 -0.112 0.000 2.528 122 S HA 0.071 -6.939 4.470 -19.133 0.000 0.219 122 S C 0.379 175.075 174.600 0.160 0.000 0.985 122 S CA -0.572 57.656 58.200 0.047 0.000 0.914 122 S CB -0.623 62.652 63.200 0.125 0.000 0.776 122 S HN 0.577 nan 8.310 nan 0.000 0.526 123 H N 1.391 120.454 119.070 -0.012 0.000 2.848 123 H HA 0.462 -6.461 4.556 -19.132 0.000 0.341 123 H C 1.523 176.854 175.328 0.005 0.000 1.060 123 H CA 0.131 56.195 56.048 0.027 0.000 1.444 123 H CB 0.634 30.451 29.762 0.091 0.000 1.446 123 H HN 0.304 nan 8.280 nan 0.000 0.583 124 G N 1.643 110.516 108.800 0.122 0.000 2.623 124 G HA2 0.005 -7.515 3.960 -19.133 0.000 0.214 124 G HA3 0.005 -7.515 3.960 -19.133 0.000 0.214 124 G C -0.201 174.741 174.900 0.069 0.000 1.138 124 G CA 0.574 45.711 45.100 0.062 0.000 0.794 124 G HN 0.740 nan 8.290 nan 0.000 0.535 125 D N -2.666 117.800 120.400 0.110 0.000 2.759 125 D HA 0.506 -6.334 4.640 -19.133 0.000 0.321 125 D C 0.155 176.566 176.300 0.186 0.000 1.267 125 D CA -0.161 53.908 54.000 0.115 0.000 0.933 125 D CB 0.783 41.632 40.800 0.083 0.000 1.431 125 D HN -0.037 nan 8.370 nan 0.000 0.504 126 A N -0.484 122.454 122.820 0.197 0.000 2.507 126 A HA 0.171 -6.989 4.320 -19.133 0.000 0.270 126 A C 1.640 179.420 177.584 0.326 0.000 1.318 126 A CA 0.110 52.329 52.037 0.303 0.000 0.924 126 A CB -0.775 18.430 19.000 0.342 0.000 1.061 126 A HN 0.522 nan 8.150 nan 0.000 0.516 127 R N -0.276 120.355 120.500 0.218 0.000 2.139 127 R HA -0.184 -7.324 4.340 -19.133 0.000 0.243 127 R C 0.834 177.235 176.300 0.169 0.000 1.145 127 R CA 2.025 58.221 56.100 0.159 0.000 0.976 127 R CB -0.379 29.977 30.300 0.092 0.000 0.866 127 R HN 0.274 nan 8.270 nan 0.000 0.449 128 D N -0.870 119.674 120.400 0.241 0.000 2.349 128 D HA 0.041 -6.799 4.640 -19.133 0.000 0.214 128 D C -0.734 175.699 176.300 0.221 0.000 1.063 128 D CA -0.166 53.980 54.000 0.244 0.000 0.847 128 D CB 0.209 41.195 40.800 0.310 0.000 0.933 128 D HN 0.355 nan 8.370 nan 0.000 0.513 129 W N 0.711 121.991 121.300 -0.034 0.000 2.627 129 W HA 0.536 -6.284 4.660 -19.134 0.000 0.339 129 W C -0.998 175.356 176.519 -0.276 0.000 1.058 129 W CA -0.651 56.502 57.345 -0.321 0.000 1.223 129 W CB 1.194 30.548 29.460 -0.177 0.000 1.389 129 W HN -0.308 nan 8.180 nan 0.000 0.541 130 D N 3.520 123.107 120.400 -1.355 0.000 2.579 130 D HA 0.389 -6.451 4.640 -19.133 0.000 0.257 130 D C -1.940 173.259 176.300 -1.836 0.000 1.176 130 D CA -0.644 52.449 54.000 -1.513 0.000 0.914 130 D CB 2.282 42.642 40.800 -0.733 0.000 1.431 130 D HN 0.318 nan 8.370 nan 0.000 0.454 131 I N 1.905 121.637 120.570 -1.398 0.000 2.447 131 I HA 0.456 -6.853 4.170 -19.133 0.000 0.287 131 I C -1.639 174.125 176.117 -0.588 0.000 1.023 131 I CA -0.474 60.223 61.300 -1.006 0.000 1.083 131 I CB 1.003 38.314 38.000 -1.148 0.000 1.245 131 I HN 0.318 nan 8.210 nan 0.000 0.434 132 L N 7.220 128.175 121.223 -0.447 0.000 2.362 132 L HA 0.623 -6.517 4.340 -19.133 0.000 0.271 132 L C -1.209 175.555 176.870 -0.177 0.000 1.002 132 L CA -1.060 53.623 54.840 -0.263 0.000 0.818 132 L CB 1.985 43.909 42.059 -0.225 0.000 1.298 132 L HN 0.479 nan 8.230 nan 0.000 0.420 133 L N 2.476 123.665 121.223 -0.057 0.000 2.333 133 L HA 0.864 -6.276 4.340 -19.133 0.000 0.280 133 L C -0.506 176.434 176.870 0.116 0.000 1.004 133 L CA -0.093 54.776 54.840 0.049 0.000 0.820 133 L CB 1.565 43.709 42.059 0.141 0.000 1.247 133 L HN 0.706 nan 8.230 nan 0.000 0.416 134 A N 4.647 127.561 122.820 0.157 0.000 2.350 134 A HA 0.833 -6.327 4.320 -19.133 0.000 0.324 134 A C -1.396 176.349 177.584 0.267 0.000 1.118 134 A CA -0.579 51.581 52.037 0.205 0.000 0.783 134 A CB 1.685 20.803 19.000 0.196 0.000 1.236 134 A HN 0.486 nan 8.150 nan 0.000 0.457 135 V N 1.600 121.615 119.914 0.167 0.000 2.448 135 V HA 0.654 -6.706 4.120 -19.133 0.000 0.295 135 V C 0.733 176.705 176.094 -0.203 0.000 1.025 135 V CA -0.191 62.061 62.300 -0.080 0.000 0.859 135 V CB 1.623 33.311 31.823 -0.226 0.000 0.988 135 V HN 1.147 nan 8.190 nan 0.000 0.431 136 G N 2.932 111.373 108.800 -0.598 0.000 2.343 136 G HA2 0.600 -6.920 3.960 -19.133 0.000 0.319 136 G HA3 0.600 -6.920 3.960 -19.133 0.000 0.319 136 G C -0.748 173.679 174.900 -0.787 0.000 1.126 136 G CA -0.333 43.968 45.100 -1.330 0.000 0.889 136 G HN 0.728 nan 8.290 nan 0.000 0.457 137 E N 1.982 121.810 120.200 -0.621 0.000 2.151 137 E HA 0.450 -6.679 4.350 -19.133 0.000 0.275 137 E C -0.728 175.639 176.600 -0.388 0.000 0.936 137 E CA -0.607 55.551 56.400 -0.403 0.000 0.777 137 E CB 1.635 31.171 29.700 -0.273 0.000 1.108 137 E HN 0.205 nan 8.360 nan 0.000 0.401 138 V N 4.040 123.765 119.914 -0.315 0.000 2.407 138 V HA 0.326 -7.034 4.120 -19.133 0.000 0.278 138 V C 0.211 176.185 176.094 -0.200 0.000 1.037 138 V CA -0.351 61.779 62.300 -0.284 0.000 0.900 138 V CB 1.462 33.142 31.823 -0.238 0.000 0.983 138 V HN 0.740 nan 8.190 nan 0.000 0.459 139 T N 5.480 119.921 114.554 -0.188 0.000 2.861 139 T HA 0.506 -6.624 4.350 -19.133 0.000 0.287 139 T C -0.628 174.009 174.700 -0.105 0.000 1.003 139 T CA -0.661 61.362 62.100 -0.128 0.000 0.977 139 T CB 1.147 69.949 68.868 -0.110 0.000 0.996 139 T HN 0.665 nan 8.240 nan 0.000 0.448 140 K N 2.105 122.459 120.400 -0.077 0.000 2.156 140 K HA 0.730 -6.430 4.320 -19.133 0.000 0.250 140 K C -1.057 175.518 176.600 -0.042 0.000 0.955 140 K CA -0.787 55.465 56.287 -0.057 0.000 0.855 140 K CB 1.904 34.373 32.500 -0.052 0.000 1.101 140 K HN 0.542 nan 8.250 nan 0.000 0.434 141 S N -0.006 115.675 115.700 -0.031 0.000 2.533 141 S HA 0.205 -6.804 4.470 -19.133 0.000 0.271 141 S C -0.734 173.854 174.600 -0.019 0.000 1.143 141 S CA -0.702 57.483 58.200 -0.024 0.000 0.891 141 S CB 1.272 64.460 63.200 -0.021 0.000 1.105 141 S HN 0.642 nan 8.310 nan 0.000 0.468 142 T N 1.335 115.878 114.554 -0.018 0.000 3.240 142 T HA 0.551 -6.579 4.350 -19.133 0.000 0.248 142 T C 0.250 174.942 174.700 -0.013 0.000 0.929 142 T CA -0.228 61.862 62.100 -0.016 0.000 0.939 142 T CB 0.031 68.889 68.868 -0.017 0.000 1.114 142 T HN 0.743 nan 8.240 nan 0.000 0.558 143 A N 0.835 123.649 122.820 -0.011 0.000 2.343 143 A HA 0.671 -6.489 4.320 -19.133 0.000 0.305 143 A C 1.438 179.017 177.584 -0.008 0.000 1.308 143 A CA -0.041 51.990 52.037 -0.009 0.000 0.949 143 A CB -0.858 18.138 19.000 -0.007 0.000 1.148 143 A HN 1.391 nan 8.150 nan 0.000 0.545 144 G N 0.939 109.734 108.800 -0.008 0.000 2.143 144 G HA2 0.251 -7.268 3.960 -19.133 0.000 0.175 144 G HA3 0.251 -7.268 3.960 -19.133 0.000 0.175 144 G C 1.343 176.237 174.900 -0.009 0.000 1.004 144 G CA 0.690 45.785 45.100 -0.008 0.000 0.671 144 G HN 2.568 nan 8.290 nan 0.000 0.512 145 G N -0.451 108.343 108.800 -0.010 0.000 2.336 145 G HA2 -0.141 -7.660 3.960 -19.133 0.000 0.233 145 G HA3 -0.141 -7.660 3.960 -19.133 0.000 0.233 145 G C 0.439 175.331 174.900 -0.013 0.000 1.053 145 G CA 1.237 46.330 45.100 -0.011 0.000 0.625 145 G HN 1.811 nan 8.290 nan 0.000 0.511 146 K N 0.721 121.112 120.400 -0.015 0.000 2.281 146 K HA 0.799 -6.361 4.320 -19.133 0.000 0.242 146 K C 0.152 176.740 176.600 -0.019 0.000 0.971 146 K CA -1.321 54.955 56.287 -0.019 0.000 0.834 146 K CB 2.040 34.527 32.500 -0.021 0.000 1.181 146 K HN 0.030 nan 8.250 nan 0.000 0.435 147 I N 2.686 123.241 120.570 -0.024 0.000 2.683 147 I HA -0.001 -7.310 4.170 -19.133 0.000 0.286 147 I C 0.560 176.665 176.117 -0.020 0.000 1.175 147 I CA 0.501 61.786 61.300 -0.024 0.000 1.429 147 I CB 0.195 38.176 38.000 -0.032 0.000 1.371 147 I HN 0.925 nan 8.210 nan 0.000 0.569 148 T N 2.707 117.254 114.554 -0.011 0.000 2.906 148 T HA 0.888 -6.241 4.350 -19.133 0.000 0.295 148 T C -0.655 174.054 174.700 0.014 0.000 1.075 148 T CA -0.805 61.300 62.100 0.009 0.000 1.005 148 T CB 2.488 71.365 68.868 0.013 0.000 1.136 148 T HN 0.797 nan 8.240 nan 0.000 0.498 149 A N 1.175 124.031 122.820 0.060 0.000 2.556 149 A HA 0.958 -6.201 4.320 -19.133 0.000 0.294 149 A C -0.319 177.269 177.584 0.008 0.000 1.091 149 A CA -0.668 51.372 52.037 0.005 0.000 0.704 149 A CB 1.579 20.565 19.000 -0.023 0.000 1.300 149 A HN 1.842 nan 8.150 nan 0.000 0.406 150 S N -0.177 115.427 115.700 -0.161 0.000 2.588 150 S HA 0.835 -6.175 4.470 -19.133 0.000 0.275 150 S C -1.057 173.306 174.600 -0.395 0.000 1.130 150 S CA -0.588 57.481 58.200 -0.218 0.000 0.855 150 S CB 1.209 64.374 63.200 -0.059 0.000 1.116 150 S HN 0.721 nan 8.310 nan 0.000 0.472 151 I N 1.606 121.921 120.570 -0.426 0.000 2.466 151 I HA 0.410 -6.899 4.170 -19.133 0.000 0.289 151 I C -0.640 175.277 176.117 -0.333 0.000 1.026 151 I CA -0.791 60.229 61.300 -0.468 0.000 1.078 151 I CB 2.235 39.908 38.000 -0.544 0.000 1.249 151 I HN 0.779 nan 8.210 nan 0.000 0.429 152 K N 4.795 124.967 120.400 -0.380 0.000 2.265 152 K HA 0.459 -6.701 4.320 -19.133 0.000 0.267 152 K C -1.763 174.633 176.600 -0.341 0.000 0.994 152 K CA -0.586 55.569 56.287 -0.220 0.000 0.860 152 K CB 1.150 33.572 32.500 -0.130 0.000 1.099 152 K HN 0.375 nan 8.250 nan 0.000 0.448 153 W N 2.281 123.565 121.300 -0.028 0.000 2.338 153 W HA 0.351 -6.470 4.660 -19.134 0.000 0.307 153 W C 0.779 177.285 176.519 -0.021 0.000 1.167 153 W CA -0.261 57.070 57.345 -0.024 0.000 1.208 153 W CB 1.630 31.089 29.460 -0.003 0.000 1.228 153 W HN 0.861 nan 8.180 nan 0.000 0.499 154 G N 1.487 110.390 108.800 0.171 0.000 2.599 154 G HA2 0.363 -7.156 3.960 -19.133 0.000 0.264 154 G HA3 0.363 -7.156 3.960 -19.133 0.000 0.264 154 G C -0.088 174.892 174.900 0.134 0.000 1.200 154 G CA -0.755 44.410 45.100 0.109 0.000 0.896 154 G HN 0.505 nan 8.290 nan 0.000 0.536 155 S N 0.698 116.448 115.700 0.083 0.000 2.564 155 S HA 0.416 -6.593 4.470 -19.133 0.000 0.278 155 S C -2.388 172.249 174.600 0.061 0.000 1.333 155 S CA -0.987 57.250 58.200 0.061 0.000 1.048 155 S CB 1.123 64.344 63.200 0.035 0.000 0.900 155 S HN 0.371 nan 8.310 nan 0.000 0.505 156 P HA 0.348 nan 4.420 nan 0.000 0.271 156 P C -1.087 176.224 177.300 0.018 0.000 1.218 156 P CA -0.542 62.572 63.100 0.025 0.000 0.780 156 P CB 0.530 32.214 31.700 -0.027 0.000 0.901 157 V N 1.864 121.801 119.914 0.038 0.000 2.513 157 V HA 0.328 -7.032 4.120 -19.133 0.000 0.299 157 V C 0.389 176.490 176.094 0.010 0.000 1.035 157 V CA -0.579 61.750 62.300 0.048 0.000 0.889 157 V CB 1.777 33.673 31.823 0.122 0.000 0.988 157 V HN 0.617 nan 8.190 nan 0.000 0.440 158 S N 4.340 120.026 115.700 -0.023 0.000 2.528 158 S HA 0.369 -6.641 4.470 -19.133 0.000 0.277 158 S C 0.496 175.108 174.600 0.019 0.000 1.297 158 S CA -0.457 57.694 58.200 -0.083 0.000 1.052 158 S CB 0.295 63.415 63.200 -0.133 0.000 0.917 158 S HN 0.608 nan 8.310 nan 0.000 0.492 159 L N 4.941 126.180 121.223 0.026 0.000 2.700 159 L HA 0.266 -6.874 4.340 -19.133 0.000 0.234 159 L C 2.163 179.212 176.870 0.299 0.000 1.156 159 L CA -0.076 54.942 54.840 0.296 0.000 0.946 159 L CB -0.255 41.989 42.059 0.308 0.000 1.216 159 L HN 0.738 nan 8.230 nan 0.000 0.493 160 K N 1.682 122.124 120.400 0.071 0.000 2.211 160 K HA -0.206 -7.366 4.320 -19.133 0.000 0.204 160 K C 1.855 178.600 176.600 0.243 0.000 1.047 160 K CA 1.694 58.081 56.287 0.167 0.000 0.935 160 K CB 0.195 32.687 32.500 -0.015 0.000 0.728 160 K HN 0.546 nan 8.250 nan 0.000 0.452 161 E N -0.575 119.618 120.200 -0.012 0.000 2.338 161 E HA -0.170 -7.300 4.350 -19.133 0.000 0.197 161 E C 0.908 177.422 176.600 -0.145 0.000 1.007 161 E CA 0.841 57.147 56.400 -0.157 0.000 0.849 161 E CB -0.260 29.199 29.700 -0.401 0.000 0.774 161 E HN 0.367 nan 8.360 nan 0.000 0.506 162 F N 0.144 120.359 119.950 0.441 0.000 2.732 162 F HA 0.208 -6.745 4.527 -19.133 0.000 0.303 162 F C 0.377 176.622 175.800 0.741 0.000 1.110 162 F CA -0.542 57.779 58.000 0.535 0.000 1.355 162 F CB 0.309 39.661 39.000 0.586 0.000 1.081 162 F HN -0.025 nan 8.300 nan 0.000 0.565 163 F N 4.977 125.272 119.950 0.576 0.000 2.361 163 F HA 0.445 -6.508 4.527 -19.133 0.000 0.364 163 F C -2.153 173.802 175.800 0.257 0.000 1.120 163 F CA -4.343 53.947 58.000 0.484 0.000 1.102 163 F CB 0.243 39.609 39.000 0.611 0.000 1.183 163 F HN -0.209 nan 8.300 nan 0.000 0.476 164 P HA 0.174 nan 4.420 nan 0.000 0.272 164 P C -0.127 176.957 177.300 -0.361 0.000 1.223 164 P CA -0.129 62.900 63.100 -0.118 0.000 0.784 164 P CB 1.298 32.940 31.700 -0.097 0.000 0.923 165 A N 2.258 124.963 122.820 -0.191 0.000 2.066 165 A HA -0.045 -7.205 4.320 -19.133 0.000 0.218 165 A C 0.864 178.338 177.584 -0.184 0.000 1.157 165 A CA 1.098 53.032 52.037 -0.172 0.000 0.670 165 A CB -0.349 18.635 19.000 -0.027 0.000 0.804 165 A HN 0.688 nan 8.150 nan 0.000 0.453 166 E N -1.381 118.697 120.200 -0.202 0.000 2.317 166 E HA 0.688 -6.442 4.350 -19.133 0.000 0.270 166 E C -1.184 175.286 176.600 -0.217 0.000 0.885 166 E CA -0.467 55.789 56.400 -0.240 0.000 0.760 166 E CB 1.928 31.481 29.700 -0.246 0.000 1.227 166 E HN 0.322 nan 8.360 nan 0.000 0.434 167 M N 0.672 120.145 119.600 -0.210 0.000 2.691 167 M HA 0.281 -6.718 4.480 -19.133 0.000 0.293 167 M C -0.693 175.508 176.300 -0.166 0.000 1.259 167 M CA -0.806 54.394 55.300 -0.166 0.000 0.827 167 M CB 2.141 34.652 32.600 -0.148 0.000 1.753 167 M HN 0.318 nan 8.290 nan 0.000 0.465 168 E N 1.104 121.220 120.200 -0.141 0.000 2.868 168 E HA 0.013 -7.117 4.350 -19.133 0.000 0.246 168 E C 0.811 177.330 176.600 -0.136 0.000 0.962 168 E CA 1.250 57.573 56.400 -0.128 0.000 0.955 168 E CB -0.028 29.600 29.700 -0.120 0.000 0.903 168 E HN 0.933 nan 8.360 nan 0.000 0.524 169 G N 3.524 112.253 108.800 -0.118 0.000 2.153 169 G HA2 -0.299 -7.819 3.960 -19.133 0.000 0.252 169 G HA3 -0.299 -7.819 3.960 -19.133 0.000 0.252 169 G C 0.116 174.955 174.900 -0.102 0.000 0.994 169 G CA 0.833 45.878 45.100 -0.092 0.000 0.698 169 G HN 0.492 nan 8.290 nan 0.000 0.521 170 M N -1.195 118.303 119.600 -0.170 0.000 2.682 170 M HA 0.488 -6.511 4.480 -19.133 0.000 0.272 170 M C -1.098 175.032 176.300 -0.283 0.000 1.232 170 M CA -1.016 54.194 55.300 -0.149 0.000 0.849 170 M CB 1.559 34.105 32.600 -0.091 0.000 1.695 170 M HN 0.061 nan 8.290 nan 0.000 0.481 171 H N 1.113 120.153 119.070 -0.050 0.000 2.466 171 H HA 0.442 -6.482 4.556 -19.133 0.000 0.338 171 H C -0.476 174.819 175.328 -0.055 0.000 1.091 171 H CA -0.237 55.773 56.048 -0.063 0.000 1.207 171 H CB 1.913 31.647 29.762 -0.046 0.000 1.466 171 H HN 0.780 nan 8.280 nan 0.000 0.493 172 T N 0.059 114.586 114.554 -0.047 0.000 2.868 172 T HA 0.063 -7.067 4.350 -19.133 0.000 0.292 172 T C 0.836 175.542 174.700 0.010 0.000 1.028 172 T CA -0.468 61.579 62.100 -0.087 0.000 1.059 172 T CB 1.847 70.356 68.868 -0.599 0.000 0.991 172 T HN 0.551 nan 8.240 nan 0.000 0.531 173 N N 0.516 119.300 118.700 0.140 0.000 3.419 173 N HA 0.166 -6.573 4.740 -19.133 0.000 0.224 173 N C -0.256 175.271 175.510 0.027 0.000 1.114 173 N CA 0.197 53.306 53.050 0.099 0.000 1.144 173 N CB 0.657 39.175 38.487 0.051 0.000 1.459 173 N HN 0.820 nan 8.380 nan 0.000 0.632 174 Q N -1.067 118.656 119.800 -0.127 0.000 2.587 174 Q HA 0.522 -6.617 4.340 -19.133 0.000 0.293 174 Q C -1.447 174.333 176.000 -0.366 0.000 1.083 174 Q CA -0.966 54.305 55.803 -0.886 0.000 0.792 174 Q CB 2.840 31.019 28.738 -0.931 0.000 1.484 174 Q HN 0.349 nan 8.270 nan 0.000 0.446 175 F N -1.350 118.128 119.950 -0.787 0.000 2.645 175 F HA 0.808 -6.146 4.527 -19.135 0.000 0.310 175 F C -2.143 173.540 175.800 -0.196 0.000 1.102 175 F CA -1.066 56.747 58.000 -0.312 0.000 0.952 175 F CB 1.246 40.013 39.000 -0.389 0.000 1.326 175 F HN 0.363 nan 8.300 nan 0.000 0.456 176 L N 1.553 122.635 121.223 -0.236 0.000 2.359 176 L HA 0.776 -6.364 4.340 -19.133 0.000 0.256 176 L C 0.435 177.205 176.870 -0.167 0.000 1.026 176 L CA -1.306 53.307 54.840 -0.378 0.000 0.828 176 L CB 2.074 43.767 42.059 -0.610 0.000 1.406 176 L HN 1.051 nan 8.230 nan 0.000 0.413 177 G N -0.511 108.154 108.800 -0.226 0.000 2.636 177 G HA2 0.317 -7.203 3.960 -19.133 0.000 0.246 177 G HA3 0.317 -7.203 3.960 -19.133 0.000 0.246 177 G C 0.851 175.740 174.900 -0.018 0.000 1.216 177 G CA 0.186 45.212 45.100 -0.123 0.000 0.854 177 G HN 0.868 nan 8.290 nan 0.000 0.572 178 G N -0.911 107.942 108.800 0.089 0.000 2.920 178 G HA2 0.527 -6.993 3.960 -19.133 0.000 0.208 178 G HA3 0.527 -6.993 3.960 -19.133 0.000 0.208 178 G C 0.845 175.793 174.900 0.080 0.000 1.159 178 G CA 1.203 46.371 45.100 0.113 0.000 0.784 178 G HN 2.128 nan 8.290 nan 0.000 0.535 179 A N -2.608 120.250 122.820 0.062 0.000 2.477 179 A HA 0.465 -6.695 4.320 -19.133 0.000 0.685 179 A C 1.380 179.018 177.584 0.090 0.000 0.171 179 A CA 0.584 52.658 52.037 0.061 0.000 0.050 179 A CB -1.090 17.944 19.000 0.057 0.000 3.966 179 A HN 2.414 nan 8.150 nan 0.000 0.547 180 G N -1.609 107.247 108.800 0.093 0.000 2.550 180 G HA2 0.217 -7.303 3.960 -19.133 0.000 0.277 180 G HA3 0.217 -7.303 3.960 -19.133 0.000 0.277 180 G C 0.300 175.295 174.900 0.157 0.000 1.190 180 G CA 0.622 45.788 45.100 0.110 0.000 0.971 180 G HN 2.360 nan 8.290 nan 0.000 0.559 181 V N 1.185 121.198 119.914 0.166 0.000 2.448 181 V HA 0.750 -6.610 4.120 -19.133 0.000 0.295 181 V C 0.948 177.156 176.094 0.190 0.000 1.025 181 V CA 0.288 62.699 62.300 0.185 0.000 0.859 181 V CB 0.674 32.597 31.823 0.167 0.000 0.988 181 V HN 1.785 nan 8.190 nan 0.000 0.431 182 A N 5.712 128.653 122.820 0.201 0.000 2.717 182 A HA 0.993 -6.167 4.320 -19.133 0.000 0.262 182 A C -0.224 177.404 177.584 0.074 0.000 1.483 182 A CA -0.532 51.599 52.037 0.156 0.000 0.889 182 A CB 0.889 19.992 19.000 0.172 0.000 1.604 182 A HN 1.054 nan 8.150 nan 0.000 0.523 183 I N -3.537 117.039 120.570 0.009 0.000 3.074 183 I HA 0.720 -6.590 4.170 -19.133 0.000 0.310 183 I C -1.341 174.743 176.117 -0.056 0.000 1.153 183 I CA -1.128 60.171 61.300 -0.002 0.000 0.993 183 I CB 2.037 40.048 38.000 0.018 0.000 1.237 183 I HN 0.248 nan 8.210 nan 0.000 0.443 184 V N 3.264 123.154 119.914 -0.039 0.000 2.370 184 V HA 0.652 -6.708 4.120 -19.133 0.000 0.279 184 V C 0.874 176.939 176.094 -0.049 0.000 1.029 184 V CA -0.304 61.958 62.300 -0.064 0.000 0.870 184 V CB 0.983 32.777 31.823 -0.049 0.000 0.984 184 V HN 0.937 nan 8.190 nan 0.000 0.451 185 A N 3.844 126.625 122.820 -0.064 0.000 2.346 185 A HA 0.393 -6.767 4.320 -19.133 0.000 0.252 185 A C 1.548 179.099 177.584 -0.056 0.000 1.089 185 A CA 0.348 52.349 52.037 -0.059 0.000 0.797 185 A CB 0.257 19.208 19.000 -0.081 0.000 1.047 185 A HN 1.187 nan 8.150 nan 0.000 0.494 186 S N 0.315 115.984 115.700 -0.051 0.000 2.500 186 S HA -0.167 -7.177 4.470 -19.133 0.000 0.239 186 S C 0.985 175.553 174.600 -0.052 0.000 0.989 186 S CA 1.213 59.384 58.200 -0.048 0.000 0.951 186 S CB -0.549 62.622 63.200 -0.049 0.000 0.759 186 S HN 0.907 nan 8.310 nan 0.000 0.523 187 N N 1.000 119.662 118.700 -0.062 0.000 2.336 187 N HA 0.249 -6.491 4.740 -19.133 0.000 0.189 187 N C 1.220 176.690 175.510 -0.067 0.000 1.113 187 N CA 0.633 53.646 53.050 -0.062 0.000 0.858 187 N CB -0.320 38.127 38.487 -0.067 0.000 0.970 187 N HN 0.554 nan 8.380 nan 0.000 0.471 188 G N -0.365 108.393 108.800 -0.071 0.000 2.217 188 G HA2 -0.288 -7.808 3.960 -19.133 0.000 0.246 188 G HA3 -0.288 -7.808 3.960 -19.133 0.000 0.246 188 G C -0.275 174.556 174.900 -0.114 0.000 0.990 188 G CA -0.119 44.931 45.100 -0.082 0.000 0.627 188 G HN 0.468 nan 8.290 nan 0.000 0.522 189 N N 0.831 119.463 118.700 -0.113 0.000 2.492 189 N HA 0.404 -6.336 4.740 -19.133 0.000 0.260 189 N C 0.743 176.154 175.510 -0.165 0.000 1.215 189 N CA 0.081 53.049 53.050 -0.137 0.000 0.923 189 N CB 0.519 38.958 38.487 -0.081 0.000 1.092 189 N HN 0.403 nan 8.380 nan 0.000 0.448 190 L N 1.517 122.583 121.223 -0.262 0.000 2.367 190 L HA 0.273 -6.866 4.340 -19.133 0.000 0.275 190 L C -0.181 176.612 176.870 -0.127 0.000 1.129 190 L CA -0.456 54.220 54.840 -0.272 0.000 0.839 190 L CB 0.514 42.322 42.059 -0.418 0.000 1.133 190 L HN 0.086 nan 8.230 nan 0.000 0.453 191 V N 4.275 124.128 119.914 -0.102 0.000 2.443 191 V HA 0.320 -7.040 4.120 -19.133 0.000 0.293 191 V C -0.836 175.292 176.094 0.057 0.000 1.021 191 V CA -0.531 61.798 62.300 0.049 0.000 0.848 191 V CB 1.375 33.213 31.823 0.025 0.000 0.998 191 V HN 0.430 nan 8.190 nan 0.000 0.424 192 Y N 6.427 126.923 120.300 0.326 0.000 2.342 192 Y HA 0.455 -6.476 4.550 -19.135 0.000 0.338 192 Y C -2.104 173.981 175.900 0.308 0.000 0.965 192 Y CA -2.690 55.592 58.100 0.303 0.000 1.159 192 Y CB 2.305 40.970 38.460 0.341 0.000 1.157 192 Y HN 0.447 nan 8.280 nan 0.000 0.486 193 P HA 0.108 nan 4.420 nan 0.000 0.276 193 P C -0.893 176.619 177.300 0.354 0.000 1.235 193 P CA -0.080 63.246 63.100 0.377 0.000 0.772 193 P CB 1.259 33.149 31.700 0.317 0.000 0.871 194 V N 1.117 121.235 119.914 0.340 0.000 3.001 194 V HA 0.647 -6.713 4.120 -19.133 0.000 0.314 194 V C -0.516 175.711 176.094 0.221 0.000 1.099 194 V CA -1.117 61.337 62.300 0.256 0.000 0.989 194 V CB 1.835 33.801 31.823 0.239 0.000 1.040 194 V HN 0.567 nan 8.190 nan 0.000 0.434 195 Q N 1.728 121.640 119.800 0.186 0.000 2.293 195 Q HA 0.859 -6.280 4.340 -19.133 0.000 0.261 195 Q C -1.352 174.761 176.000 0.189 0.000 0.960 195 Q CA -0.825 55.081 55.803 0.173 0.000 0.882 195 Q CB 2.249 31.156 28.738 0.283 0.000 1.275 195 Q HN 0.623 nan 8.270 nan 0.000 0.445 196 V N 1.571 121.401 119.914 -0.140 0.000 2.735 196 V HA 0.572 -6.788 4.120 -19.133 0.000 0.310 196 V C -0.086 175.749 176.094 -0.431 0.000 1.061 196 V CA -0.689 61.446 62.300 -0.275 0.000 0.913 196 V CB 2.069 33.460 31.823 -0.721 0.000 1.005 196 V HN 1.032 nan 8.190 nan 0.000 0.428 197 T N 0.433 114.932 114.554 -0.092 0.000 2.940 197 T HA 0.678 -6.451 4.350 -19.133 0.000 0.288 197 T C -0.408 174.402 174.700 0.183 0.000 1.033 197 T CA -0.835 61.241 62.100 -0.039 0.000 1.033 197 T CB 1.929 70.674 68.868 -0.205 0.000 1.079 197 T HN 0.779 nan 8.240 nan 0.000 0.496 198 N N 0.212 119.056 118.700 0.239 0.000 2.741 198 N HA 0.394 -6.345 4.740 -19.133 0.000 0.310 198 N C 0.459 176.010 175.510 0.068 0.000 1.295 198 N CA -1.194 51.968 53.050 0.188 0.000 0.893 198 N CB 0.536 39.139 38.487 0.194 0.000 1.247 198 N HN 0.358 nan 8.380 nan 0.000 0.596 199 K N -0.201 120.235 120.400 0.060 0.000 2.486 199 K HA 0.075 -7.085 4.320 -19.133 0.000 0.194 199 K C 0.348 176.941 176.600 -0.012 0.000 1.033 199 K CA 0.518 56.819 56.287 0.024 0.000 1.004 199 K CB -0.118 32.397 32.500 0.025 0.000 0.798 199 K HN 0.575 nan 8.250 nan 0.000 0.495 200 K N 0.562 120.940 120.400 -0.037 0.000 2.404 200 K HA 0.068 -7.092 4.320 -19.133 0.000 0.194 200 K C -0.038 176.508 176.600 -0.089 0.000 1.023 200 K CA 0.033 56.273 56.287 -0.078 0.000 1.094 200 K CB 0.241 32.662 32.500 -0.133 0.000 0.841 200 K HN 0.012 nan 8.250 nan 0.000 0.523 201 K N 0.368 120.725 120.400 -0.071 0.000 3.391 201 K HA -0.214 -7.374 4.320 -19.133 0.000 0.307 201 K C -0.730 175.803 176.600 -0.112 0.000 1.304 201 K CA 0.680 56.909 56.287 -0.096 0.000 0.904 201 K CB -1.615 30.834 32.500 -0.085 0.000 1.293 201 K HN 0.343 nan 8.250 nan 0.000 0.470 202 Q N 0.713 120.454 119.800 -0.100 0.000 2.299 202 Q HA 0.468 -6.672 4.340 -19.133 0.000 0.246 202 Q C -0.210 175.866 176.000 0.126 0.000 0.935 202 Q CA -0.390 55.374 55.803 -0.065 0.000 0.887 202 Q CB 2.203 30.728 28.738 -0.355 0.000 1.223 202 Q HN 0.112 nan 8.270 nan 0.000 0.439 203 V N 3.833 123.855 119.914 0.180 0.000 2.581 203 V HA 0.769 -6.591 4.120 -19.133 0.000 0.303 203 V C -1.309 175.031 176.094 0.410 0.000 1.041 203 V CA -0.388 62.001 62.300 0.149 0.000 0.907 203 V CB 0.852 32.673 31.823 -0.004 0.000 0.994 203 V HN 0.714 nan 8.190 nan 0.000 0.442 204 F N 2.261 122.313 119.950 0.170 0.000 2.741 204 F HA 0.802 -6.152 4.527 -19.135 0.000 0.313 204 F C -0.567 175.268 175.800 0.058 0.000 1.153 204 F CA -0.870 57.171 58.000 0.068 0.000 0.931 204 F CB 1.338 40.296 39.000 -0.071 0.000 1.335 204 F HN 0.287 nan 8.300 nan 0.000 0.460 205 S N 1.137 116.877 115.700 0.067 0.000 2.549 205 S HA 0.740 -6.270 4.470 -19.133 0.000 0.297 205 S C -0.887 173.746 174.600 0.055 0.000 1.115 205 S CA -0.912 57.346 58.200 0.096 0.000 1.059 205 S CB 1.636 64.993 63.200 0.262 0.000 1.046 205 S HN 0.473 nan 8.310 nan 0.000 0.506 206 K N 0.999 121.598 120.400 0.332 0.000 2.495 206 K HA 0.520 -6.640 4.320 -19.133 0.000 0.268 206 K C -1.300 175.723 176.600 0.705 0.000 1.008 206 K CA -0.776 55.834 56.287 0.538 0.000 0.882 206 K CB 1.301 34.130 32.500 0.548 0.000 1.443 206 K HN 0.371 nan 8.250 nan 0.000 0.447 207 I N 1.680 122.693 120.570 0.738 0.000 2.336 207 I HA 0.357 -6.953 4.170 -19.133 0.000 0.292 207 I C -0.521 175.924 176.117 0.546 0.000 0.991 207 I CA -0.559 61.065 61.300 0.540 0.000 1.227 207 I CB 0.502 38.727 38.000 0.374 0.000 1.366 207 I HN 0.482 nan 8.210 nan 0.000 0.466 208 F N 9.325 129.424 119.950 0.249 0.000 2.445 208 F HA 0.532 -6.422 4.527 -19.134 0.000 0.348 208 F C -1.047 174.992 175.800 0.398 0.000 1.125 208 F CA -0.633 57.364 58.000 -0.004 0.000 0.983 208 F CB 0.923 39.775 39.000 -0.247 0.000 1.198 208 F HN 0.431 nan 8.300 nan 0.000 0.436 209 Y N 2.385 122.630 120.300 -0.091 0.000 2.609 209 Y HA 0.761 -6.169 4.550 -19.133 0.000 0.342 209 Y C -1.350 174.231 175.900 -0.531 0.000 1.058 209 Y CA -1.683 56.345 58.100 -0.120 0.000 1.055 209 Y CB 1.448 39.848 38.460 -0.100 0.000 1.292 209 Y HN 0.373 nan 8.280 nan 0.000 0.476 210 S N 0.362 115.598 115.700 -0.773 0.000 2.557 210 S HA 0.392 -6.617 4.470 -19.133 0.000 0.291 210 S C -0.495 173.758 174.600 -0.578 0.000 1.116 210 S CA -0.633 56.876 58.200 -1.152 0.000 0.992 210 S CB 1.327 63.258 63.200 -2.114 0.000 1.028 210 S HN 0.851 nan 8.310 nan 0.000 0.484 211 E N 1.691 121.625 120.200 -0.443 0.000 2.474 211 E HA 0.076 -7.054 4.350 -19.133 0.000 0.195 211 E C -0.528 175.920 176.600 -0.253 0.000 1.039 211 E CA 0.171 56.423 56.400 -0.247 0.000 0.881 211 E CB 0.252 29.867 29.700 -0.142 0.000 0.970 211 E HN 0.725 nan 8.360 nan 0.000 0.486 212 D N 0.022 120.217 120.400 -0.341 0.000 2.895 212 D HA 0.029 -6.811 4.640 -19.133 0.000 0.350 212 D C -0.423 175.732 176.300 -0.243 0.000 1.389 212 D CA -0.377 53.477 54.000 -0.245 0.000 0.812 212 D CB 0.038 40.716 40.800 -0.204 0.000 1.164 212 D HN -0.185 nan 8.370 nan 0.000 0.455 213 E N -0.180 119.851 120.200 -0.282 0.000 2.791 213 E HA -0.198 -7.328 4.350 -19.133 0.000 0.271 213 E C 1.146 177.617 176.600 -0.215 0.000 1.044 213 E CA 1.052 57.319 56.400 -0.223 0.000 0.814 213 E CB -2.115 27.557 29.700 -0.046 0.000 1.400 213 E HN 0.898 nan 8.360 nan 0.000 0.423 214 G N -0.538 107.990 108.800 -0.453 0.000 2.175 214 G HA2 -0.361 -7.880 3.960 -19.133 0.000 0.244 214 G HA3 -0.361 -7.880 3.960 -19.133 0.000 0.244 214 G C 0.969 175.842 174.900 -0.045 0.000 0.982 214 G CA 0.547 45.471 45.100 -0.294 0.000 0.641 214 G HN 0.189 nan 8.290 nan 0.000 0.527 215 K N 0.545 120.855 120.400 -0.150 0.000 2.062 215 K HA 0.084 -7.076 4.320 -19.133 0.000 0.205 215 K C 1.623 178.180 176.600 -0.071 0.000 1.051 215 K CA 1.835 58.117 56.287 -0.009 0.000 0.941 215 K CB -0.547 31.947 32.500 -0.009 0.000 0.719 215 K HN 0.917 nan 8.250 nan 0.000 0.440 216 T N -2.869 111.410 114.554 -0.458 0.000 2.916 216 T HA 0.613 -6.517 4.350 -19.133 0.000 0.292 216 T C -1.157 172.753 174.700 -1.318 0.000 1.055 216 T CA -0.957 60.664 62.100 -0.798 0.000 1.009 216 T CB 1.625 70.275 68.868 -0.363 0.000 1.118 216 T HN 0.115 nan 8.240 nan 0.000 0.497 217 W N 0.183 120.606 121.300 -1.462 0.000 3.032 217 W HA 0.712 -6.109 4.660 -19.134 0.000 0.335 217 W C -0.435 175.615 176.519 -0.781 0.000 1.154 217 W CA -0.797 55.862 57.345 -1.144 0.000 1.204 217 W CB 2.274 30.942 29.460 -1.319 0.000 1.416 217 W HN 0.690 nan 8.180 nan 0.000 0.521 218 K N 1.296 121.297 120.400 -0.666 0.000 2.435 218 K HA 0.646 -6.514 4.320 -19.133 0.000 0.251 218 K C -1.529 174.883 176.600 -0.313 0.000 0.954 218 K CA -1.013 55.017 56.287 -0.427 0.000 0.820 218 K CB 2.209 34.258 32.500 -0.752 0.000 1.292 218 K HN 0.188 nan 8.250 nan 0.000 0.436 219 F N 0.535 120.580 119.950 0.159 0.000 2.421 219 F HA 0.354 -6.600 4.527 -19.134 0.000 0.337 219 F C 1.167 177.199 175.800 0.387 0.000 1.105 219 F CA -0.312 57.893 58.000 0.342 0.000 1.049 219 F CB 1.607 40.796 39.000 0.315 0.000 1.139 219 F HN 0.588 nan 8.300 nan 0.000 0.479 220 G N 2.511 111.717 108.800 0.675 0.000 2.491 220 G HA2 0.081 -7.438 3.960 -19.133 0.000 0.238 220 G HA3 0.081 -7.438 3.960 -19.133 0.000 0.238 220 G C 0.625 175.785 174.900 0.434 0.000 1.277 220 G CA -0.449 44.972 45.100 0.535 0.000 0.851 220 G HN 0.798 nan 8.290 nan 0.000 0.573 221 K N 1.105 121.691 120.400 0.310 0.000 2.211 221 K HA -0.012 -7.171 4.320 -19.133 0.000 0.203 221 K C 1.740 178.420 176.600 0.134 0.000 1.050 221 K CA 0.745 57.153 56.287 0.202 0.000 0.945 221 K CB 0.079 32.667 32.500 0.146 0.000 0.732 221 K HN 0.518 nan 8.250 nan 0.000 0.451 222 G N 1.121 110.038 108.800 0.195 0.000 2.537 222 G HA2 0.440 -7.080 3.960 -19.133 0.000 0.297 222 G HA3 0.440 -7.080 3.960 -19.133 0.000 0.297 222 G C -0.615 174.014 174.900 -0.452 0.000 1.310 222 G CA -0.585 44.506 45.100 -0.015 0.000 1.027 222 G HN 0.274 nan 8.290 nan 0.000 0.505 223 R N -2.123 117.717 120.500 -1.101 0.000 2.733 223 R HA 0.596 -6.544 4.340 -19.133 0.000 0.272 223 R C -0.175 175.097 176.300 -1.714 0.000 1.029 223 R CA -0.473 54.747 56.100 -1.466 0.000 0.888 223 R CB 0.690 30.594 30.300 -0.660 0.000 1.251 223 R HN 0.743 nan 8.270 nan 0.000 0.464 224 S N 0.803 115.551 115.700 -1.586 0.000 2.641 224 S HA 0.598 -6.412 4.470 -19.133 0.000 0.261 224 S C 0.673 174.929 174.600 -0.573 0.000 1.257 224 S CA -0.369 57.196 58.200 -1.058 0.000 0.983 224 S CB 0.720 63.590 63.200 -0.550 0.000 0.990 224 S HN 0.877 nan 8.310 nan 0.000 0.572 225 A N 0.140 122.819 122.820 -0.235 0.000 2.448 225 A HA 0.443 -6.716 4.320 -19.133 0.000 0.239 225 A C 0.018 177.516 177.584 -0.143 0.000 1.080 225 A CA -0.485 51.456 52.037 -0.160 0.000 0.779 225 A CB -0.706 18.349 19.000 0.092 0.000 1.026 225 A HN 0.664 nan 8.150 nan 0.000 0.499 226 F N 0.239 120.208 119.950 0.032 0.000 2.506 226 F HA 0.388 -6.564 4.527 -19.133 0.000 0.351 226 F C 1.711 177.572 175.800 0.103 0.000 1.136 226 F CA 1.598 59.647 58.000 0.081 0.000 1.298 226 F CB 0.645 39.665 39.000 0.034 0.000 1.145 226 F HN 0.911 nan 8.300 nan 0.000 0.593 227 G N 0.510 109.512 108.800 0.337 0.000 2.195 227 G HA2 -0.254 -7.774 3.960 -19.133 0.000 0.224 227 G HA3 -0.254 -7.774 3.960 -19.133 0.000 0.224 227 G C -0.411 174.609 174.900 0.200 0.000 0.990 227 G CA -0.378 44.857 45.100 0.226 0.000 0.639 227 G HN 0.731 nan 8.290 nan 0.000 0.514 228 C N 2.951 122.380 119.300 0.214 0.000 2.303 228 C HA 0.775 -6.245 4.460 -19.133 0.000 0.341 228 C C 1.099 176.210 174.990 0.201 0.000 1.244 228 C CA 0.136 59.280 59.018 0.210 0.000 1.765 228 C CB -0.093 27.793 27.740 0.244 0.000 2.379 228 C HN 0.879 nan 8.230 nan 0.000 0.530 229 S N 1.257 117.074 115.700 0.195 0.000 2.806 229 S HA 0.573 -6.437 4.470 -19.133 0.000 0.315 229 S C -0.360 174.358 174.600 0.197 0.000 1.127 229 S CA -0.638 57.687 58.200 0.209 0.000 0.918 229 S CB 0.319 63.653 63.200 0.223 0.000 1.240 229 S HN 0.731 nan 8.310 nan 0.000 0.552 230 E N 1.550 121.865 120.200 0.193 0.000 2.103 230 E HA -0.134 -7.264 4.350 -19.133 0.000 0.186 230 E C -2.234 174.456 176.600 0.151 0.000 1.392 230 E CA 0.326 56.811 56.400 0.141 0.000 0.691 230 E CB -1.336 28.410 29.700 0.077 0.000 1.068 230 E HN 0.465 nan 8.360 nan 0.000 0.328 231 P HA 0.113 nan 4.420 nan 0.000 0.275 231 P C -0.481 176.953 177.300 0.224 0.000 1.227 231 P CA -0.047 63.196 63.100 0.237 0.000 0.781 231 P CB 1.588 33.475 31.700 0.311 0.000 0.906 232 V N 2.000 122.056 119.914 0.237 0.000 2.709 232 V HA 0.773 -6.586 4.120 -19.133 0.000 0.308 232 V C -0.986 175.332 176.094 0.374 0.000 1.062 232 V CA -0.727 61.739 62.300 0.276 0.000 0.901 232 V CB 1.604 33.582 31.823 0.258 0.000 1.003 232 V HN 0.835 nan 8.190 nan 0.000 0.425 233 A N 6.151 129.168 122.820 0.328 0.000 2.454 233 A HA 1.008 -6.152 4.320 -19.133 0.000 0.302 233 A C -1.293 176.395 177.584 0.173 0.000 1.079 233 A CA -0.604 51.609 52.037 0.293 0.000 0.731 233 A CB 1.824 20.932 19.000 0.181 0.000 1.299 233 A HN 1.684 nan 8.150 nan 0.000 0.413 234 L N -1.717 119.549 121.223 0.073 0.000 2.341 234 L HA 0.887 -6.252 4.340 -19.133 0.000 0.254 234 L C -0.489 176.397 176.870 0.028 0.000 1.040 234 L CA -0.689 54.132 54.840 -0.032 0.000 0.837 234 L CB 1.520 43.424 42.059 -0.258 0.000 1.425 234 L HN 0.730 nan 8.230 nan 0.000 0.414 235 E N 0.600 120.829 120.200 0.047 0.000 2.166 235 E HA 0.383 -6.747 4.350 -19.133 0.000 0.275 235 E C -2.038 174.666 176.600 0.174 0.000 0.941 235 E CA -0.687 55.759 56.400 0.077 0.000 0.784 235 E CB 1.431 31.144 29.700 0.022 0.000 1.115 235 E HN 0.678 nan 8.360 nan 0.000 0.399 236 W N 5.436 126.711 121.300 -0.042 0.000 2.968 236 W HA 0.196 -6.605 4.660 -19.102 0.000 0.337 236 W C -0.942 175.564 176.519 -0.021 0.000 1.060 236 W CA -0.531 56.798 57.345 -0.027 0.000 1.240 236 W CB 1.080 30.530 29.460 -0.016 0.000 1.370 236 W HN 0.806 nan 8.180 nan 0.000 0.459 237 E N 3.341 123.323 120.200 -0.363 0.000 2.269 237 E HA -0.233 -7.363 4.350 -19.133 0.000 0.223 237 E C 1.029 177.579 176.600 -0.083 0.000 1.244 237 E CA 1.174 57.415 56.400 -0.265 0.000 0.713 237 E CB -1.298 28.223 29.700 -0.299 0.000 1.178 237 E HN 0.980 nan 8.360 nan 0.000 0.370 238 G N -0.285 108.475 108.800 -0.067 0.000 2.179 238 G HA2 -0.352 -7.871 3.960 -19.133 0.000 0.260 238 G HA3 -0.352 -7.871 3.960 -19.133 0.000 0.260 238 G C 0.149 175.039 174.900 -0.018 0.000 0.977 238 G CA 0.814 45.889 45.100 -0.042 0.000 0.641 238 G HN 0.303 nan 8.290 nan 0.000 0.533 239 K N -0.416 119.997 120.400 0.022 0.000 2.340 239 K HA 0.730 -6.430 4.320 -19.133 0.000 0.244 239 K C 0.042 176.660 176.600 0.031 0.000 0.973 239 K CA -1.009 55.291 56.287 0.021 0.000 0.828 239 K CB 1.946 34.477 32.500 0.053 0.000 1.226 239 K HN 0.086 nan 8.250 nan 0.000 0.437 240 L N 2.939 124.147 121.223 -0.026 0.000 2.326 240 L HA 0.389 -6.750 4.340 -19.133 0.000 0.278 240 L C -0.213 176.659 176.870 0.003 0.000 1.092 240 L CA -0.449 54.376 54.840 -0.025 0.000 0.810 240 L CB 0.432 42.426 42.059 -0.109 0.000 1.153 240 L HN 0.398 nan 8.230 nan 0.000 0.439 241 I N 4.775 125.396 120.570 0.085 0.000 2.355 241 I HA 0.344 -6.966 4.170 -19.133 0.000 0.288 241 I C -0.489 175.778 176.117 0.249 0.000 0.999 241 I CA -0.379 61.019 61.300 0.162 0.000 1.163 241 I CB 1.658 39.791 38.000 0.223 0.000 1.316 241 I HN 0.446 nan 8.210 nan 0.000 0.454 242 I N 6.424 127.098 120.570 0.174 0.000 2.354 242 I HA 0.280 -7.029 4.170 -19.133 0.000 0.286 242 I C -0.087 176.176 176.117 0.243 0.000 1.007 242 I CA -0.322 61.098 61.300 0.200 0.000 1.167 242 I CB 1.144 39.163 38.000 0.032 0.000 1.320 242 I HN 0.471 nan 8.210 nan 0.000 0.458 243 N N 5.122 123.925 118.700 0.172 0.000 2.424 243 N HA 0.381 -6.358 4.740 -19.133 0.000 0.271 243 N C -0.769 174.799 175.510 0.097 0.000 0.985 243 N CA -0.238 52.791 53.050 -0.035 0.000 0.921 243 N CB 1.476 39.633 38.487 -0.549 0.000 1.149 243 N HN 0.678 nan 8.380 nan 0.000 0.492 244 T N 0.283 114.920 114.554 0.140 0.000 2.888 244 T HA 0.441 -6.688 4.350 -19.133 0.000 0.284 244 T C 0.212 175.001 174.700 0.149 0.000 1.017 244 T CA -0.975 61.241 62.100 0.194 0.000 1.022 244 T CB 1.709 70.753 68.868 0.293 0.000 1.013 244 T HN 0.487 nan 8.240 nan 0.000 0.465 245 R N 1.648 122.240 120.500 0.154 0.000 2.347 245 R HA 0.511 -6.629 4.340 -19.133 0.000 0.304 245 R C -1.292 175.087 176.300 0.132 0.000 1.072 245 R CA -0.445 55.739 56.100 0.140 0.000 0.980 245 R CB 0.270 30.645 30.300 0.125 0.000 0.986 245 R HN 0.583 nan 8.270 nan 0.000 0.448 246 V N 5.083 125.057 119.914 0.100 0.000 2.357 246 V HA 0.131 -7.228 4.120 -19.133 0.000 0.281 246 V C -0.679 175.438 176.094 0.039 0.000 1.015 246 V CA -1.027 61.328 62.300 0.091 0.000 0.827 246 V CB 1.340 33.216 31.823 0.089 0.000 1.018 246 V HN 0.822 nan 8.190 nan 0.000 0.432 247 D N 3.806 124.216 120.400 0.016 0.000 2.488 247 D HA 0.149 -6.691 4.640 -19.133 0.000 0.238 247 D C 0.523 176.768 176.300 -0.092 0.000 1.138 247 D CA 0.689 54.569 54.000 -0.200 0.000 0.873 247 D CB 0.317 40.984 40.800 -0.222 0.000 1.183 247 D HN 0.684 nan 8.370 nan 0.000 0.458 248 Y N -0.522 119.769 120.300 -0.016 0.000 4.668 248 Y HA -0.322 -7.249 4.550 -19.128 0.000 0.234 248 Y C 0.761 176.657 175.900 -0.007 0.000 1.056 248 Y CA 0.639 58.725 58.100 -0.024 0.000 2.025 248 Y CB -1.113 37.333 38.460 -0.024 0.000 1.613 248 Y HN 0.321 nan 8.280 nan 0.000 0.653 249 R N -0.412 120.131 120.500 0.073 0.000 2.781 249 R HA 0.539 -6.600 4.340 -19.133 0.000 0.269 249 R C -0.230 176.070 176.300 0.000 0.000 1.025 249 R CA -1.289 54.839 56.100 0.047 0.000 0.914 249 R CB 1.012 31.349 30.300 0.062 0.000 1.236 249 R HN 0.120 nan 8.270 nan 0.000 0.465 250 R N 1.277 121.759 120.500 -0.029 0.000 2.643 250 R HA 0.215 -6.925 4.340 -19.133 0.000 0.270 250 R C 0.170 176.428 176.300 -0.069 0.000 1.061 250 R CA -0.228 55.826 56.100 -0.077 0.000 1.107 250 R CB 0.471 30.688 30.300 -0.138 0.000 0.999 250 R HN 0.217 nan 8.270 nan 0.000 0.460 251 R N 2.122 122.577 120.500 -0.075 0.000 2.489 251 R HA 0.075 -7.065 4.340 -19.133 0.000 0.287 251 R C -0.127 176.117 176.300 -0.094 0.000 1.053 251 R CA 0.029 56.104 56.100 -0.041 0.000 1.036 251 R CB 0.295 30.586 30.300 -0.015 0.000 0.966 251 R HN 0.334 nan 8.270 nan 0.000 0.432 252 L N 3.282 124.473 121.223 -0.052 0.000 2.334 252 L HA 0.409 -6.731 4.340 -19.133 0.000 0.277 252 L C -0.327 176.439 176.870 -0.173 0.000 1.075 252 L CA -0.737 54.011 54.840 -0.153 0.000 0.804 252 L CB 1.522 43.531 42.059 -0.082 0.000 1.174 252 L HN 0.296 nan 8.230 nan 0.000 0.438 253 V N 2.824 122.536 119.914 -0.337 0.000 2.656 253 V HA 0.465 -6.894 4.120 -19.133 0.000 0.307 253 V C -0.998 174.889 176.094 -0.345 0.000 1.051 253 V CA -0.677 61.499 62.300 -0.206 0.000 0.893 253 V CB 1.831 33.556 31.823 -0.164 0.000 0.999 253 V HN 0.433 nan 8.190 nan 0.000 0.426 254 Y N 1.426 121.770 120.300 0.073 0.000 2.562 254 Y HA 0.634 -6.291 4.550 -19.125 0.000 0.343 254 Y C 0.255 176.139 175.900 -0.026 0.000 1.025 254 Y CA -0.878 57.266 58.100 0.073 0.000 1.082 254 Y CB 1.968 40.562 38.460 0.223 0.000 1.264 254 Y HN 0.553 nan 8.280 nan 0.000 0.478 255 E N 0.523 120.799 120.200 0.126 0.000 2.212 255 E HA 0.596 -6.534 4.350 -19.133 0.000 0.268 255 E C -1.314 175.246 176.600 -0.067 0.000 0.902 255 E CA -0.891 55.519 56.400 0.017 0.000 0.779 255 E CB 2.255 31.978 29.700 0.038 0.000 1.172 255 E HN 0.380 nan 8.360 nan 0.000 0.409 256 S N 0.782 116.391 115.700 -0.150 0.000 2.619 256 S HA 0.244 -6.765 4.470 -19.133 0.000 0.280 256 S C -0.277 174.257 174.600 -0.111 0.000 1.150 256 S CA -0.563 57.525 58.200 -0.186 0.000 0.978 256 S CB 1.307 64.249 63.200 -0.430 0.000 1.041 256 S HN 0.375 nan 8.310 nan 0.000 0.485 257 S N 2.477 118.141 115.700 -0.060 0.000 2.556 257 S HA 0.113 -6.897 4.470 -19.133 0.000 0.216 257 S C -0.059 174.507 174.600 -0.058 0.000 0.970 257 S CA -0.034 58.140 58.200 -0.045 0.000 0.912 257 S CB -0.076 63.114 63.200 -0.017 0.000 0.790 257 S HN 0.858 nan 8.310 nan 0.000 0.504 258 D N -0.072 120.287 120.400 -0.068 0.000 2.945 258 D HA 0.235 -6.605 4.640 -19.133 0.000 0.366 258 D C 0.269 176.504 176.300 -0.109 0.000 1.352 258 D CA -0.480 53.482 54.000 -0.065 0.000 0.810 258 D CB -0.269 40.523 40.800 -0.012 0.000 1.170 258 D HN -0.172 nan 8.370 nan 0.000 0.461 259 M N 0.951 120.435 119.600 -0.194 0.000 2.393 259 M HA -0.159 -7.159 4.480 -19.133 0.000 0.201 259 M C 1.192 177.395 176.300 -0.162 0.000 0.403 259 M CA 1.160 56.260 55.300 -0.334 0.000 0.471 259 M CB -1.942 30.220 32.600 -0.730 0.000 1.669 259 M HN 0.903 nan 8.290 nan 0.000 0.864 260 G N -0.962 107.792 108.800 -0.077 0.000 2.176 260 G HA2 -0.339 -7.858 3.960 -19.133 0.000 0.253 260 G HA3 -0.339 -7.858 3.960 -19.133 0.000 0.253 260 G C 0.731 175.858 174.900 0.378 0.000 0.979 260 G CA 0.564 45.753 45.100 0.149 0.000 0.641 260 G HN 0.513 nan 8.290 nan 0.000 0.530 261 N N 0.433 119.258 118.700 0.209 0.000 2.216 261 N HA 0.058 -6.681 4.740 -19.133 0.000 0.183 261 N C 1.295 176.957 175.510 0.254 0.000 1.017 261 N CA 1.801 54.984 53.050 0.222 0.000 0.861 261 N CB -0.014 38.555 38.487 0.136 0.000 0.986 261 N HN 0.902 nan 8.380 nan 0.000 0.428 262 T N -2.596 112.103 114.554 0.241 0.000 2.886 262 T HA 0.522 -6.608 4.350 -19.133 0.000 0.292 262 T C -1.258 173.638 174.700 0.327 0.000 1.012 262 T CA -0.797 61.459 62.100 0.260 0.000 0.982 262 T CB 1.257 70.209 68.868 0.140 0.000 1.018 262 T HN -0.026 nan 8.240 nan 0.000 0.451 263 W N 2.508 123.823 121.300 0.025 0.000 2.587 263 W HA 0.727 -6.096 4.660 -19.137 0.000 0.324 263 W C -0.970 175.622 176.519 0.121 0.000 1.040 263 W CA -1.282 56.093 57.345 0.050 0.000 1.222 263 W CB 1.718 31.126 29.460 -0.087 0.000 1.381 263 W HN 0.665 nan 8.180 nan 0.000 0.483 264 L N 2.884 124.316 121.223 0.349 0.000 2.356 264 L HA 0.432 -6.708 4.340 -19.133 0.000 0.277 264 L C 0.166 177.206 176.870 0.284 0.000 0.996 264 L CA -0.883 54.117 54.840 0.267 0.000 0.822 264 L CB 1.479 43.619 42.059 0.135 0.000 1.256 264 L HN 0.464 nan 8.230 nan 0.000 0.413 265 E N 3.345 123.668 120.200 0.206 0.000 2.384 265 E HA 0.259 -6.871 4.350 -19.133 0.000 0.266 265 E C -0.275 176.255 176.600 -0.117 0.000 1.012 265 E CA -0.008 56.336 56.400 -0.095 0.000 0.901 265 E CB 1.076 30.672 29.700 -0.172 0.000 0.967 265 E HN 0.788 nan 8.360 nan 0.000 0.435 266 A N 5.119 127.834 122.820 -0.175 0.000 3.077 266 A HA 0.095 -7.064 4.320 -19.133 0.000 0.255 266 A C 1.212 178.694 177.584 -0.169 0.000 1.728 266 A CA -0.038 51.921 52.037 -0.130 0.000 1.383 266 A CB -0.880 18.056 19.000 -0.106 0.000 1.097 266 A HN 0.591 nan 8.150 nan 0.000 0.634 267 V N -1.547 118.233 119.914 -0.224 0.000 2.759 267 V HA -0.048 -7.408 4.120 -19.133 0.000 0.256 267 V C 1.690 177.685 176.094 -0.166 0.000 1.080 267 V CA 2.130 64.219 62.300 -0.352 0.000 1.101 267 V CB -0.843 30.442 31.823 -0.895 0.000 0.698 267 V HN 0.515 nan 8.190 nan 0.000 0.477 268 G N -0.095 108.655 108.800 -0.085 0.000 2.985 268 G HA2 0.225 -7.295 3.960 -19.133 0.000 0.209 268 G HA3 0.225 -7.295 3.960 -19.133 0.000 0.209 268 G C 1.100 175.997 174.900 -0.005 0.000 1.165 268 G CA 1.085 46.196 45.100 0.018 0.000 0.776 268 G HN 0.710 nan 8.290 nan 0.000 0.541 269 T N -2.523 112.011 114.554 -0.034 0.000 3.451 269 T HA 0.205 -6.924 4.350 -19.133 0.000 0.201 269 T C 1.770 176.398 174.700 -0.121 0.000 0.965 269 T CA -0.087 61.964 62.100 -0.081 0.000 1.088 269 T CB 0.024 68.818 68.868 -0.124 0.000 1.251 269 T HN -0.022 nan 8.240 nan 0.000 0.325 270 L N 1.128 122.240 121.223 -0.186 0.000 2.672 270 L HA 0.445 -6.695 4.340 -19.133 0.000 0.236 270 L C 1.163 177.808 176.870 -0.375 0.000 1.092 270 L CA -0.213 54.427 54.840 -0.334 0.000 0.887 270 L CB 0.488 42.416 42.059 -0.219 0.000 1.168 270 L HN 0.281 nan 8.230 nan 0.000 0.502 271 S N 0.796 116.330 115.700 -0.277 0.000 2.549 271 S HA 0.188 -6.822 4.470 -19.133 0.000 0.283 271 S C 0.947 175.305 174.600 -0.402 0.000 1.320 271 S CA -0.013 57.999 58.200 -0.313 0.000 1.058 271 S CB 0.098 63.116 63.200 -0.303 0.000 0.882 271 S HN 0.424 nan 8.310 nan 0.000 0.498 272 R N 1.518 121.762 120.500 -0.428 0.000 3.954 272 R HA -0.155 -7.295 4.340 -19.133 0.000 0.422 272 R C 0.923 176.868 176.300 -0.591 0.000 1.091 272 R CA 0.863 56.633 56.100 -0.549 0.000 1.168 272 R CB -2.671 27.116 30.300 -0.854 0.000 1.752 272 R HN 0.498 nan 8.270 nan 0.000 0.547 273 V N -0.188 119.352 119.914 -0.623 0.000 2.307 273 V HA -0.132 -7.492 4.120 -19.133 0.000 0.245 273 V C 1.236 176.869 176.094 -0.769 0.000 1.045 273 V CA 1.638 63.458 62.300 -0.799 0.000 1.024 273 V CB -0.144 30.879 31.823 -1.333 0.000 0.651 273 V HN 0.247 nan 8.190 nan 0.000 0.449 274 W N 0.565 121.586 121.300 -0.466 0.000 2.335 274 W HA 0.622 4.350 4.660 -1.553 0.000 0.307 274 W C 0.383 176.694 176.519 -0.347 0.000 1.117 274 W CA -0.585 56.484 57.345 -0.460 0.000 1.228 274 W CB 0.715 29.845 29.460 -0.551 0.000 1.240 274 W HN 0.134 nan 8.180 nan 0.000 0.468 275 G N 3.896 112.657 108.800 -0.065 0.000 2.389 275 G HA2 0.430 -7.090 3.960 -19.133 0.000 0.328 275 G HA3 0.430 -7.090 3.960 -19.133 0.000 0.328 275 G C -1.742 173.100 174.900 -0.096 0.000 1.133 275 G CA -1.224 43.830 45.100 -0.076 0.000 0.891 275 G HN 0.147 nan 8.290 nan 0.000 0.485 276 P HA 0.050 nan 4.420 nan 0.000 0.241 276 P C 0.321 177.678 177.300 0.095 0.000 1.191 276 P CA 0.462 63.572 63.100 0.017 0.000 0.771 276 P CB 0.450 32.166 31.700 0.027 0.000 0.929 277 S N -3.256 112.489 115.700 0.074 0.000 2.611 277 S HA 0.416 -6.594 4.470 -19.133 0.000 0.268 277 S C -2.717 171.943 174.600 0.100 0.000 1.156 277 S CA -1.227 57.042 58.200 0.115 0.000 0.817 277 S CB 1.328 64.569 63.200 0.068 0.000 1.122 277 S HN -0.354 nan 8.310 nan 0.000 0.466 278 P HA -0.073 nan 4.420 nan 0.000 0.216 278 P C 0.589 177.892 177.300 0.005 0.000 1.154 278 P CA 1.439 64.556 63.100 0.027 0.000 0.865 278 P CB 0.069 31.717 31.700 -0.088 0.000 0.789 279 K N -1.634 118.770 120.400 0.007 0.000 2.397 279 K HA 0.252 -6.908 4.320 -19.133 0.000 0.202 279 K C 0.389 176.996 176.600 0.012 0.000 1.022 279 K CA -0.122 56.166 56.287 0.002 0.000 1.141 279 K CB -0.510 31.989 32.500 -0.002 0.000 0.857 279 K HN -0.089 nan 8.250 nan 0.000 0.514 280 S N 2.566 118.276 115.700 0.017 0.000 3.614 280 S HA -0.153 -7.162 4.470 -19.133 0.000 0.360 280 S C 0.280 174.901 174.600 0.034 0.000 1.023 280 S CA 1.103 59.310 58.200 0.012 0.000 1.114 280 S CB -1.422 61.774 63.200 -0.006 0.000 0.907 280 S HN 0.651 nan 8.310 nan 0.000 0.470 281 N N -0.716 118.014 118.700 0.051 0.000 2.377 281 N HA 0.150 -6.590 4.740 -19.133 0.000 0.259 281 N C -0.349 175.271 175.510 0.182 0.000 1.332 281 N CA -0.474 52.644 53.050 0.114 0.000 0.877 281 N CB 0.438 38.970 38.487 0.075 0.000 1.299 281 N HN 0.286 nan 8.380 nan 0.000 0.501 282 Q N 0.062 119.879 119.800 0.028 0.000 2.496 282 Q HA 0.590 -6.550 4.340 -19.133 0.000 0.286 282 Q C -2.807 172.844 176.000 -0.581 0.000 1.103 282 Q CA -1.756 53.958 55.803 -0.148 0.000 0.813 282 Q CB 1.391 30.053 28.738 -0.125 0.000 1.444 282 Q HN 0.033 nan 8.270 nan 0.000 0.443 283 P HA 0.020 nan 4.420 nan 0.000 0.268 283 P C -0.107 176.943 177.300 -0.418 0.000 1.208 283 P CA 0.407 62.935 63.100 -0.952 0.000 0.777 283 P CB 0.408 31.264 31.700 -1.407 0.000 0.875 284 G N 0.489 109.154 108.800 -0.224 0.000 2.574 284 G HA2 0.515 -7.004 3.960 -19.133 0.000 0.248 284 G HA3 0.515 -7.004 3.960 -19.133 0.000 0.248 284 G C -0.647 174.286 174.900 0.055 0.000 1.422 284 G CA -0.250 44.863 45.100 0.022 0.000 1.051 284 G HN 0.559 nan 8.290 nan 0.000 0.560 285 S N -2.142 113.582 115.700 0.040 0.000 2.596 285 S HA 0.371 -6.639 4.470 -19.133 0.000 0.270 285 S C -0.942 173.472 174.600 -0.310 0.000 1.155 285 S CA -0.553 57.550 58.200 -0.162 0.000 0.827 285 S CB 1.750 64.627 63.200 -0.539 0.000 1.130 285 S HN 0.719 nan 8.310 nan 0.000 0.467 286 Q N 1.607 120.962 119.800 -0.742 0.000 2.392 286 Q HA 0.421 -6.719 4.340 -19.133 0.000 0.262 286 Q C -1.104 174.578 176.000 -0.531 0.000 1.003 286 Q CA 0.487 55.832 55.803 -0.762 0.000 0.888 286 Q CB 0.900 28.713 28.738 -1.541 0.000 1.260 286 Q HN 0.625 nan 8.270 nan 0.000 0.435 287 S N 1.763 117.281 115.700 -0.302 0.000 2.536 287 S HA 0.266 -6.744 4.470 -19.133 0.000 0.287 287 S C -1.003 173.505 174.600 -0.155 0.000 1.101 287 S CA -0.567 57.444 58.200 -0.315 0.000 0.950 287 S CB 1.825 64.848 63.200 -0.296 0.000 1.056 287 S HN 0.633 nan 8.310 nan 0.000 0.481 288 S N 1.999 117.604 115.700 -0.158 0.000 2.528 288 S HA 0.635 -6.375 4.470 -19.133 0.000 0.277 288 S C -1.235 173.464 174.600 0.166 0.000 1.297 288 S CA -0.152 58.060 58.200 0.021 0.000 1.052 288 S CB -0.087 63.127 63.200 0.024 0.000 0.917 288 S HN 0.496 nan 8.310 nan 0.000 0.492 289 F N 4.556 124.552 119.950 0.077 0.000 2.831 289 F HA 0.451 -6.486 4.527 -19.106 0.000 0.346 289 F C -0.352 175.535 175.800 0.146 0.000 1.224 289 F CA -0.452 57.645 58.000 0.161 0.000 1.048 289 F CB 1.301 40.429 39.000 0.214 0.000 1.339 289 F HN 0.643 nan 8.300 nan 0.000 0.514 290 T N 1.983 116.533 114.554 -0.006 0.000 2.906 290 T HA 0.911 -6.219 4.350 -19.133 0.000 0.295 290 T C -0.879 173.777 174.700 -0.074 0.000 1.075 290 T CA -0.901 61.176 62.100 -0.039 0.000 1.005 290 T CB 1.851 70.771 68.868 0.087 0.000 1.136 290 T HN 0.844 nan 8.240 nan 0.000 0.498 291 A N 1.605 124.420 122.820 -0.008 0.000 2.288 291 A HA 0.824 -6.336 4.320 -19.133 0.000 0.320 291 A C 0.138 177.801 177.584 0.131 0.000 1.217 291 A CA -0.677 51.420 52.037 0.100 0.000 0.840 291 A CB 0.388 19.483 19.000 0.159 0.000 1.179 291 A HN 1.732 nan 8.150 nan 0.000 0.504 292 V N -0.350 119.655 119.914 0.152 0.000 3.141 292 V HA 0.882 -6.478 4.120 -19.133 0.000 0.312 292 V C -0.325 175.856 176.094 0.146 0.000 1.157 292 V CA -0.636 61.763 62.300 0.165 0.000 1.041 292 V CB 1.680 33.591 31.823 0.148 0.000 1.071 292 V HN 0.659 nan 8.190 nan 0.000 0.441 293 T N 3.129 117.790 114.554 0.179 0.000 2.791 293 T HA 0.701 -6.429 4.350 -19.133 0.000 0.288 293 T C -0.476 174.331 174.700 0.177 0.000 0.999 293 T CA 0.050 62.236 62.100 0.143 0.000 0.952 293 T CB 0.558 69.495 68.868 0.116 0.000 0.938 293 T HN 0.620 nan 8.240 nan 0.000 0.444 294 I N 2.676 123.291 120.570 0.074 0.000 2.418 294 I HA 0.286 -7.024 4.170 -19.133 0.000 0.287 294 I C 0.429 176.579 176.117 0.055 0.000 1.008 294 I CA -0.653 60.671 61.300 0.040 0.000 1.104 294 I CB 1.380 39.289 38.000 -0.152 0.000 1.264 294 I HN 0.739 nan 8.210 nan 0.000 0.438 295 E N 4.696 124.947 120.200 0.084 0.000 2.269 295 E HA -0.292 -7.422 4.350 -19.133 0.000 0.223 295 E C 1.080 177.709 176.600 0.048 0.000 1.244 295 E CA 0.626 57.058 56.400 0.054 0.000 0.713 295 E CB -1.140 28.575 29.700 0.025 0.000 1.178 295 E HN 1.216 nan 8.360 nan 0.000 0.370 296 G N -0.220 108.615 108.800 0.059 0.000 2.205 296 G HA2 -0.377 -7.897 3.960 -19.133 0.000 0.261 296 G HA3 -0.377 -7.897 3.960 -19.133 0.000 0.261 296 G C 0.180 175.112 174.900 0.054 0.000 0.980 296 G CA 0.480 45.610 45.100 0.049 0.000 0.632 296 G HN 0.379 nan 8.290 nan 0.000 0.533 297 M N 0.629 120.272 119.600 0.071 0.000 2.205 297 M HA 0.679 -6.321 4.480 -19.133 0.000 0.344 297 M C 0.252 176.622 176.300 0.116 0.000 1.085 297 M CA -1.095 54.265 55.300 0.099 0.000 1.001 297 M CB 1.064 33.746 32.600 0.136 0.000 1.626 297 M HN 0.125 nan 8.290 nan 0.000 0.442 298 R N 3.554 124.116 120.500 0.103 0.000 2.389 298 R HA 0.543 -6.597 4.340 -19.133 0.000 0.295 298 R C -1.236 175.284 176.300 0.367 0.000 1.075 298 R CA -0.108 56.068 56.100 0.127 0.000 1.005 298 R CB 0.414 30.649 30.300 -0.109 0.000 0.987 298 R HN 0.547 nan 8.270 nan 0.000 0.452 299 V N 0.876 121.035 119.914 0.409 0.000 3.206 299 V HA 0.629 -6.731 4.120 -19.133 0.000 0.305 299 V C -0.643 175.646 176.094 0.326 0.000 1.257 299 V CA -1.239 61.329 62.300 0.447 0.000 1.057 299 V CB 2.350 34.352 31.823 0.299 0.000 1.075 299 V HN 0.671 nan 8.190 nan 0.000 0.443 300 M N 2.000 121.709 119.600 0.181 0.000 2.436 300 M HA 0.680 -6.320 4.480 -19.133 0.000 0.331 300 M C -1.229 175.196 176.300 0.208 0.000 1.135 300 M CA -0.435 54.921 55.300 0.093 0.000 0.987 300 M CB 2.085 34.648 32.600 -0.062 0.000 1.687 300 M HN 0.544 nan 8.290 nan 0.000 0.445 301 L N 2.461 123.804 121.223 0.199 0.000 2.346 301 L HA 0.690 -6.450 4.340 -19.133 0.000 0.276 301 L C -1.308 175.801 176.870 0.398 0.000 1.006 301 L CA -0.595 54.407 54.840 0.269 0.000 0.817 301 L CB 1.715 43.872 42.059 0.163 0.000 1.272 301 L HN 0.589 nan 8.230 nan 0.000 0.421 302 F N 1.917 122.006 119.950 0.230 0.000 2.569 302 F HA 0.638 -6.334 4.527 -19.165 0.000 0.312 302 F C -0.375 175.468 175.800 0.070 0.000 1.109 302 F CA -0.318 57.743 58.000 0.102 0.000 0.919 302 F CB 2.048 40.890 39.000 -0.264 0.000 1.211 302 F HN 0.476 nan 8.300 nan 0.000 0.446 303 T N 1.847 115.932 114.554 -0.783 0.000 2.887 303 T HA 0.649 -6.481 4.350 -19.133 0.000 0.288 303 T C -1.463 172.678 174.700 -0.931 0.000 1.021 303 T CA -0.645 61.095 62.100 -0.600 0.000 1.000 303 T CB 1.777 70.473 68.868 -0.286 0.000 1.034 303 T HN 0.919 nan 8.240 nan 0.000 0.467 304 H N 1.016 119.771 119.070 -0.524 0.000 3.112 304 H HA 0.462 -6.438 4.556 -19.093 0.000 0.347 304 H C -3.035 172.234 175.328 -0.098 0.000 1.188 304 H CA -1.362 54.482 56.048 -0.341 0.000 1.240 304 H CB 2.273 31.855 29.762 -0.299 0.000 1.920 304 H HN 0.538 nan 8.280 nan 0.000 0.535 305 P HA 0.044 nan 4.420 nan 0.000 0.274 305 P C 0.408 177.853 177.300 0.241 0.000 1.231 305 P CA -0.167 62.959 63.100 0.042 0.000 0.790 305 P CB 1.581 33.257 31.700 -0.039 0.000 0.951 306 L N 0.688 121.970 121.223 0.098 0.000 2.270 306 L HA -0.017 -7.157 4.340 -19.133 0.000 0.210 306 L C 0.835 177.824 176.870 0.197 0.000 1.104 306 L CA 0.650 55.582 54.840 0.153 0.000 0.804 306 L CB -0.807 41.246 42.059 -0.009 0.000 0.937 306 L HN 0.490 nan 8.230 nan 0.000 0.450 307 N N -0.328 118.427 118.700 0.091 0.000 2.727 307 N HA -0.249 -6.989 4.740 -19.133 0.000 0.251 307 N C 0.505 176.178 175.510 0.273 0.000 1.040 307 N CA 0.353 53.484 53.050 0.135 0.000 0.712 307 N CB -1.496 37.063 38.487 0.119 0.000 0.912 307 N HN 0.318 nan 8.380 nan 0.000 0.545 308 F N -0.071 119.906 119.950 0.046 0.000 2.269 308 F HA -0.159 -7.119 4.527 -19.146 0.000 0.301 308 F C 2.028 177.846 175.800 0.030 0.000 1.082 308 F CA 0.748 58.770 58.000 0.037 0.000 1.360 308 F CB 0.062 39.083 39.000 0.035 0.000 1.041 308 F HN 0.218 nan 8.300 nan 0.000 0.512 309 K N 0.366 120.899 120.400 0.221 0.000 2.155 309 K HA 0.132 -7.028 4.320 -19.133 0.000 0.203 309 K C 1.024 177.684 176.600 0.100 0.000 1.052 309 K CA 0.567 56.936 56.287 0.136 0.000 0.948 309 K CB -0.282 32.280 32.500 0.103 0.000 0.728 309 K HN 0.349 nan 8.250 nan 0.000 0.448 310 G N 0.756 109.608 108.800 0.087 0.000 2.710 310 G HA2 -0.236 -7.756 3.960 -19.133 0.000 0.668 310 G HA3 -0.236 -7.756 3.960 -19.133 0.000 0.668 310 G C -0.561 174.343 174.900 0.005 0.000 1.320 310 G CA -0.358 44.763 45.100 0.036 0.000 0.860 310 G HN 0.282 nan 8.290 nan 0.000 0.538 311 R N -2.168 118.282 120.500 -0.084 0.000 3.815 311 R HA -0.229 -7.369 4.340 -19.133 0.000 0.470 311 R C 1.050 177.189 176.300 -0.268 0.000 0.241 311 R CA 2.160 58.148 56.100 -0.187 0.000 1.481 311 R CB -1.289 29.098 30.300 0.145 0.000 0.988 311 R HN 0.785 nan 8.270 nan 0.000 0.570 312 W N 1.276 122.618 121.300 0.071 0.000 3.316 312 W HA 0.196 -6.621 4.660 -19.128 0.000 0.327 312 W C 1.650 178.216 176.519 0.079 0.000 1.232 312 W CA -0.046 57.343 57.345 0.072 0.000 1.805 312 W CB -0.155 29.351 29.460 0.077 0.000 1.090 312 W HN 0.354 nan 8.180 nan 0.000 0.654 313 L N 0.662 122.014 121.223 0.216 0.000 2.017 313 L HA -0.125 -7.265 4.340 -19.133 0.000 0.208 313 L C 1.171 178.106 176.870 0.109 0.000 1.073 313 L CA 1.382 56.309 54.840 0.146 0.000 0.745 313 L CB -0.637 41.485 42.059 0.105 0.000 0.894 313 L HN -0.064 nan 8.230 nan 0.000 0.432 314 R N 1.135 121.688 120.500 0.087 0.000 3.267 314 R HA -0.135 -7.275 4.340 -19.133 0.000 0.254 314 R C -0.364 175.952 176.300 0.027 0.000 0.993 314 R CA 0.555 56.694 56.100 0.064 0.000 0.670 314 R CB -1.850 28.505 30.300 0.093 0.000 1.125 314 R HN 0.617 nan 8.270 nan 0.000 0.434 315 D N 0.789 121.189 120.400 0.000 0.000 2.371 315 D HA 0.115 -6.724 4.640 -19.133 0.000 0.242 315 D C 0.027 176.249 176.300 -0.131 0.000 1.218 315 D CA -0.410 53.556 54.000 -0.057 0.000 0.945 315 D CB 0.451 41.211 40.800 -0.067 0.000 1.137 315 D HN 0.263 nan 8.370 nan 0.000 0.464 316 R N -1.086 119.314 120.500 -0.166 0.000 3.055 316 R HA -0.193 -7.333 4.340 -19.133 0.000 0.265 316 R C -0.630 175.571 176.300 -0.164 0.000 0.947 316 R CA -0.222 55.744 56.100 -0.223 0.000 0.652 316 R CB -1.909 28.134 30.300 -0.428 0.000 1.367 316 R HN 0.433 nan 8.270 nan 0.000 0.441 317 L N 1.816 122.937 121.223 -0.171 0.000 2.477 317 L HA 0.146 -6.994 4.340 -19.133 0.000 0.272 317 L C 0.008 176.782 176.870 -0.159 0.000 1.157 317 L CA 0.580 55.311 54.840 -0.183 0.000 0.889 317 L CB 0.504 42.365 42.059 -0.330 0.000 1.158 317 L HN 0.205 nan 8.230 nan 0.000 0.473 318 N N 3.730 122.382 118.700 -0.081 0.000 2.370 318 N HA 0.636 -6.103 4.740 -19.133 0.000 0.303 318 N C -1.479 173.967 175.510 -0.106 0.000 1.103 318 N CA -0.551 52.433 53.050 -0.111 0.000 0.848 318 N CB 1.718 40.171 38.487 -0.056 0.000 1.235 318 N HN 0.544 nan 8.380 nan 0.000 0.496 319 L N 1.678 122.765 121.223 -0.226 0.000 2.329 319 L HA 0.692 -6.448 4.340 -19.133 0.000 0.279 319 L C -1.746 174.989 176.870 -0.226 0.000 1.014 319 L CA -0.470 54.305 54.840 -0.109 0.000 0.814 319 L CB 0.609 42.625 42.059 -0.071 0.000 1.257 319 L HN 0.551 nan 8.230 nan 0.000 0.424 320 W N 5.281 126.678 121.300 0.161 0.000 2.844 320 W HA 0.658 -5.258 4.660 -17.627 0.000 0.340 320 W C -1.257 175.462 176.519 0.332 0.000 1.093 320 W CA -0.604 56.925 57.345 0.306 0.000 1.212 320 W CB 1.818 31.574 29.460 0.493 0.000 1.422 320 W HN 0.407 nan 8.180 nan 0.000 0.515 321 L N 2.627 124.225 121.223 0.625 0.000 2.381 321 L HA 0.854 -6.286 4.340 -19.133 0.000 0.274 321 L C -0.580 176.678 176.870 0.647 0.000 0.988 321 L CA -0.073 55.071 54.840 0.507 0.000 0.824 321 L CB 1.949 44.227 42.059 0.366 0.000 1.263 321 L HN 0.360 nan 8.230 nan 0.000 0.410 322 T N 1.591 116.468 114.554 0.539 0.000 2.933 322 T HA 0.410 -6.720 4.350 -19.133 0.000 0.305 322 T C -0.630 174.271 174.700 0.336 0.000 1.092 322 T CA -0.269 62.119 62.100 0.481 0.000 1.008 322 T CB 1.112 70.183 68.868 0.338 0.000 1.102 322 T HN 0.757 nan 8.240 nan 0.000 0.469 323 D N 3.166 123.742 120.400 0.294 0.000 2.491 323 D HA 0.143 -6.696 4.640 -19.133 0.000 0.228 323 D C 0.769 177.080 176.300 0.019 0.000 1.183 323 D CA -0.252 53.896 54.000 0.247 0.000 0.827 323 D CB -0.705 40.295 40.800 0.334 0.000 0.989 323 D HN 0.806 nan 8.370 nan 0.000 0.494 324 N N -0.265 118.312 118.700 -0.206 0.000 2.878 324 N HA -0.254 -6.994 4.740 -19.133 0.000 0.247 324 N C 0.278 175.688 175.510 -0.167 0.000 1.021 324 N CA 1.117 54.002 53.050 -0.275 0.000 0.873 324 N CB -0.333 37.911 38.487 -0.406 0.000 1.128 324 N HN 0.463 nan 8.380 nan 0.000 0.571 325 Q N -0.649 119.041 119.800 -0.183 0.000 2.361 325 Q HA 0.221 -6.919 4.340 -19.133 0.000 0.182 325 Q C -0.091 175.750 176.000 -0.265 0.000 0.650 325 Q CA -0.232 55.409 55.803 -0.271 0.000 0.842 325 Q CB 0.388 28.934 28.738 -0.320 0.000 1.211 325 Q HN 0.119 nan 8.270 nan 0.000 0.502 326 R N 0.948 121.219 120.500 -0.381 0.000 2.459 326 R HA 0.524 -6.616 4.340 -19.133 0.000 0.281 326 R C -0.599 175.724 176.300 0.039 0.000 1.050 326 R CA 0.151 56.080 56.100 -0.284 0.000 1.055 326 R CB 0.956 30.764 30.300 -0.820 0.000 1.045 326 R HN 0.147 nan 8.270 nan 0.000 0.495 327 I N 2.302 123.038 120.570 0.277 0.000 2.468 327 I HA 0.212 -7.097 4.170 -19.133 0.000 0.284 327 I C -1.356 175.151 176.117 0.650 0.000 1.038 327 I CA -0.793 60.772 61.300 0.442 0.000 1.083 327 I CB 1.268 39.387 38.000 0.198 0.000 1.223 327 I HN 0.526 nan 8.210 nan 0.000 0.443 328 Y N 6.331 127.026 120.300 0.658 0.000 2.341 328 Y HA 0.427 -6.497 4.550 -19.123 0.000 0.337 328 Y C -0.026 176.087 175.900 0.355 0.000 1.014 328 Y CA -0.750 57.654 58.100 0.507 0.000 1.111 328 Y CB 1.301 40.027 38.460 0.444 0.000 1.194 328 Y HN 0.537 nan 8.280 nan 0.000 0.462 329 N N 4.657 122.982 118.700 -0.626 0.000 2.415 329 N HA 0.131 -6.609 4.740 -19.133 0.000 0.246 329 N C 0.280 175.237 175.510 -0.923 0.000 1.078 329 N CA 0.070 52.490 53.050 -1.049 0.000 0.942 329 N CB 0.969 38.796 38.487 -1.099 0.000 1.140 329 N HN 0.590 nan 8.380 nan 0.000 0.501 330 V N 2.406 122.048 119.914 -0.454 0.000 2.427 330 V HA 0.174 -7.185 4.120 -19.133 0.000 0.248 330 V C 1.454 177.429 176.094 -0.198 0.000 1.051 330 V CA 1.656 63.888 62.300 -0.113 0.000 1.048 330 V CB -1.443 30.393 31.823 0.021 0.000 0.666 330 V HN 0.917 nan 8.190 nan 0.000 0.456 331 G N -1.088 107.520 108.800 -0.320 0.000 2.357 331 G HA2 0.060 -7.460 3.960 -19.133 0.000 0.289 331 G HA3 0.060 -7.460 3.960 -19.133 0.000 0.289 331 G C -1.086 173.682 174.900 -0.221 0.000 1.302 331 G CA -0.309 44.641 45.100 -0.251 0.000 0.936 331 G HN 0.214 nan 8.290 nan 0.000 0.513 332 Q N -0.432 119.272 119.800 -0.160 0.000 2.279 332 Q HA 0.557 -6.583 4.340 -19.133 0.000 0.256 332 Q C 0.630 176.560 176.000 -0.117 0.000 0.937 332 Q CA -0.486 55.230 55.803 -0.145 0.000 0.933 332 Q CB 1.520 30.182 28.738 -0.127 0.000 1.189 332 Q HN 0.431 nan 8.270 nan 0.000 0.417 333 V N 2.530 122.361 119.914 -0.138 0.000 2.685 333 V HA -0.055 -7.415 4.120 -19.133 0.000 0.244 333 V C 0.885 176.922 176.094 -0.094 0.000 1.054 333 V CA 1.188 63.420 62.300 -0.113 0.000 1.076 333 V CB 0.259 31.993 31.823 -0.148 0.000 0.725 333 V HN 0.875 nan 8.190 nan 0.000 0.467 334 S N 0.249 115.838 115.700 -0.186 0.000 2.617 334 S HA 0.463 -6.547 4.470 -19.133 0.000 0.259 334 S C -0.344 174.247 174.600 -0.015 0.000 1.301 334 S CA -0.317 57.832 58.200 -0.085 0.000 0.984 334 S CB 0.858 63.968 63.200 -0.150 0.000 0.954 334 S HN 0.214 nan 8.310 nan 0.000 0.572 335 I N 1.702 122.289 120.570 0.030 0.000 2.362 335 I HA 0.528 -6.782 4.170 -19.133 0.000 0.289 335 I C 1.248 177.364 176.117 -0.002 0.000 0.994 335 I CA -0.022 61.287 61.300 0.014 0.000 1.158 335 I CB 0.671 38.691 38.000 0.032 0.000 1.315 335 I HN 1.139 nan 8.210 nan 0.000 0.451 336 G N 5.911 114.703 108.800 -0.015 0.000 2.611 336 G HA2 -0.345 -7.865 3.960 -19.133 0.000 0.301 336 G HA3 -0.345 -7.865 3.960 -19.133 0.000 0.301 336 G C 0.368 175.249 174.900 -0.032 0.000 1.233 336 G CA 0.630 45.721 45.100 -0.015 0.000 0.993 336 G HN 0.857 nan 8.290 nan 0.000 0.553 337 D N 1.846 122.235 120.400 -0.017 0.000 2.463 337 D HA 0.165 -6.675 4.640 -19.133 0.000 0.224 337 D C 0.931 177.220 176.300 -0.019 0.000 1.174 337 D CA 0.681 54.666 54.000 -0.025 0.000 0.829 337 D CB -0.591 40.212 40.800 0.005 0.000 0.993 337 D HN 0.958 nan 8.370 nan 0.000 0.497 338 E N 0.423 120.615 120.200 -0.013 0.000 2.418 338 E HA 0.008 -7.122 4.350 -19.133 0.000 0.261 338 E C -0.330 176.264 176.600 -0.009 0.000 1.070 338 E CA -0.392 56.006 56.400 -0.004 0.000 0.931 338 E CB 0.385 30.094 29.700 0.015 0.000 0.954 338 E HN -0.083 nan 8.360 nan 0.000 0.439 339 N N 1.345 120.038 118.700 -0.011 0.000 2.497 339 N HA 0.089 -6.651 4.740 -19.133 0.000 0.271 339 N C -0.981 174.541 175.510 0.020 0.000 1.142 339 N CA -0.076 52.971 53.050 -0.005 0.000 0.965 339 N CB 1.222 39.691 38.487 -0.030 0.000 1.077 339 N HN 0.567 nan 8.380 nan 0.000 0.462 340 S N -0.777 114.947 115.700 0.041 0.000 2.479 340 S HA 0.522 -6.487 4.470 -19.133 0.000 0.169 340 S C 0.330 174.972 174.600 0.071 0.000 1.181 340 S CA -0.788 57.464 58.200 0.087 0.000 1.169 340 S CB 0.532 63.747 63.200 0.026 0.000 1.384 340 S HN 0.527 nan 8.310 nan 0.000 0.412 341 A N 2.006 124.919 122.820 0.155 0.000 1.843 341 A HA 0.459 -6.700 4.320 -19.133 0.000 0.213 341 A C 0.148 177.894 177.584 0.271 0.000 1.239 341 A CA 0.797 52.955 52.037 0.201 0.000 0.606 341 A CB -0.468 18.714 19.000 0.303 0.000 0.903 341 A HN 0.672 nan 8.150 nan 0.000 0.455 342 Y N 0.396 120.710 120.300 0.024 0.000 2.307 342 Y HA 0.522 -6.403 4.550 -19.125 0.000 0.324 342 Y C 0.780 176.698 175.900 0.029 0.000 1.238 342 Y CA -0.896 57.200 58.100 -0.006 0.000 1.280 342 Y CB 1.094 39.557 38.460 0.006 0.000 1.248 342 Y HN 0.467 nan 8.280 nan 0.000 0.508 343 S N -0.163 115.608 115.700 0.119 0.000 2.588 343 S HA 0.744 -6.265 4.470 -19.133 0.000 0.269 343 S C -1.125 173.523 174.600 0.080 0.000 1.157 343 S CA -0.932 57.335 58.200 0.111 0.000 0.824 343 S CB 1.964 65.180 63.200 0.026 0.000 1.126 343 S HN 0.519 nan 8.310 nan 0.000 0.464 344 S N 0.501 116.273 115.700 0.120 0.000 2.649 344 S HA 0.594 -6.416 4.470 -19.133 0.000 0.274 344 S C -1.532 173.163 174.600 0.159 0.000 1.176 344 S CA -0.479 57.798 58.200 0.128 0.000 0.988 344 S CB 1.083 64.372 63.200 0.147 0.000 1.071 344 S HN 0.868 nan 8.310 nan 0.000 0.478 345 V N 5.415 125.418 119.914 0.148 0.000 2.435 345 V HA 0.643 -6.717 4.120 -19.133 0.000 0.290 345 V C -0.418 175.807 176.094 0.218 0.000 1.030 345 V CA -0.685 61.718 62.300 0.171 0.000 0.881 345 V CB 1.377 33.277 31.823 0.129 0.000 0.983 345 V HN 0.763 nan 8.190 nan 0.000 0.445 346 L N 5.674 127.069 121.223 0.287 0.000 2.362 346 L HA 0.589 -6.551 4.340 -19.133 0.000 0.275 346 L C -1.354 175.771 176.870 0.425 0.000 0.998 346 L CA -0.434 54.607 54.840 0.335 0.000 0.820 346 L CB 1.589 43.856 42.059 0.346 0.000 1.270 346 L HN 0.620 nan 8.230 nan 0.000 0.415 347 Y N 5.321 125.745 120.300 0.206 0.000 2.334 347 Y HA 0.597 -6.330 4.550 -19.127 0.000 0.336 347 Y C -0.878 175.133 175.900 0.185 0.000 0.960 347 Y CA -0.687 57.516 58.100 0.171 0.000 1.164 347 Y CB 0.813 39.340 38.460 0.112 0.000 1.155 347 Y HN 0.717 nan 8.280 nan 0.000 0.478 348 K N 5.400 125.763 120.400 -0.062 0.000 2.565 348 K HA 0.276 -6.883 4.320 -19.133 0.000 0.249 348 K C -1.117 175.408 176.600 -0.126 0.000 0.958 348 K CA -0.446 55.804 56.287 -0.062 0.000 0.806 348 K CB 0.938 33.515 32.500 0.128 0.000 1.194 348 K HN 0.717 nan 8.250 nan 0.000 0.434 349 D N 3.812 124.092 120.400 -0.200 0.000 2.689 349 D HA -0.200 -7.040 4.640 -19.133 0.000 0.237 349 D C -0.400 175.802 176.300 -0.163 0.000 1.148 349 D CA 1.868 55.786 54.000 -0.136 0.000 0.656 349 D CB -0.812 39.969 40.800 -0.031 0.000 1.050 349 D HN 1.005 nan 8.370 nan 0.000 0.426 350 D N -1.123 119.049 120.400 -0.380 0.000 2.837 350 D HA -0.207 -7.046 4.640 -19.133 0.000 0.230 350 D C -0.692 175.600 176.300 -0.013 0.000 1.152 350 D CA 1.192 55.074 54.000 -0.196 0.000 0.736 350 D CB -0.033 40.764 40.800 -0.005 0.000 1.084 350 D HN 0.294 nan 8.370 nan 0.000 0.429 351 K N -0.102 120.250 120.400 -0.079 0.000 2.426 351 K HA 0.620 -6.540 4.320 -19.133 0.000 0.251 351 K C -0.735 175.794 176.600 -0.118 0.000 0.941 351 K CA -1.034 55.192 56.287 -0.102 0.000 0.808 351 K CB 1.962 34.373 32.500 -0.148 0.000 1.265 351 K HN 0.085 nan 8.250 nan 0.000 0.432 352 L N 2.591 123.652 121.223 -0.270 0.000 2.322 352 L HA 0.507 -6.632 4.340 -19.133 0.000 0.281 352 L C -1.534 175.060 176.870 -0.460 0.000 1.014 352 L CA -0.336 54.425 54.840 -0.132 0.000 0.815 352 L CB 0.804 42.858 42.059 -0.007 0.000 1.247 352 L HN 0.503 nan 8.230 nan 0.000 0.421 353 Y N 2.886 123.230 120.300 0.074 0.000 2.576 353 Y HA 0.667 -6.263 4.550 -19.134 0.000 0.346 353 Y C -0.455 175.443 175.900 -0.004 0.000 1.018 353 Y CA -0.621 57.451 58.100 -0.048 0.000 1.050 353 Y CB 2.128 40.586 38.460 -0.004 0.000 1.280 353 Y HN 0.649 nan 8.280 nan 0.000 0.474 354 C N 3.064 122.418 119.300 0.091 0.000 2.608 354 C HA 0.707 -6.313 4.460 -19.133 0.000 0.325 354 C C -1.643 173.440 174.990 0.155 0.000 1.147 354 C CA -0.738 58.369 59.018 0.148 0.000 1.359 354 C CB 0.107 27.934 27.740 0.146 0.000 1.912 354 C HN 0.787 nan 8.230 nan 0.000 0.466 355 L N 7.045 128.405 121.223 0.228 0.000 2.287 355 L HA 0.788 -6.352 4.340 -19.133 0.000 0.287 355 L C -0.242 176.745 176.870 0.195 0.000 1.022 355 L CA 0.629 55.601 54.840 0.220 0.000 0.814 355 L CB 0.622 42.834 42.059 0.255 0.000 1.217 355 L HN 0.959 nan 8.230 nan 0.000 0.420 356 H N 1.258 120.383 119.070 0.091 0.000 3.008 356 H HA 0.610 -6.309 4.556 -19.125 0.000 0.354 356 H C -1.244 174.130 175.328 0.077 0.000 1.252 356 H CA -1.003 55.090 56.048 0.074 0.000 1.117 356 H CB 0.839 30.633 29.762 0.052 0.000 1.857 356 H HN 0.546 nan 8.280 nan 0.000 0.547 357 E N 1.147 121.515 120.200 0.281 0.000 2.366 357 E HA 0.335 -6.795 4.350 -19.133 0.000 0.266 357 E C -0.198 176.551 176.600 0.249 0.000 1.051 357 E CA -0.443 56.091 56.400 0.224 0.000 0.884 357 E CB 1.295 31.154 29.700 0.265 0.000 1.006 357 E HN 0.549 nan 8.360 nan 0.000 0.417 358 I N -0.268 120.376 120.570 0.124 0.000 2.545 358 I HA 0.449 -6.861 4.170 -19.133 0.000 0.292 358 I C -0.892 175.191 176.117 -0.057 0.000 1.040 358 I CA -0.817 60.519 61.300 0.060 0.000 1.068 358 I CB 1.903 39.923 38.000 0.033 0.000 1.251 358 I HN 0.356 nan 8.210 nan 0.000 0.424 359 N N 4.170 122.764 118.700 -0.178 0.000 2.448 359 N HA 0.417 -6.323 4.740 -19.133 0.000 0.279 359 N C -1.486 173.863 175.510 -0.269 0.000 1.025 359 N CA -0.298 52.468 53.050 -0.474 0.000 0.898 359 N CB 1.638 39.656 38.487 -0.781 0.000 1.303 359 N HN 0.709 nan 8.380 nan 0.000 0.495 360 S N 2.710 118.281 115.700 -0.214 0.000 2.498 360 S HA 0.311 -6.699 4.470 -19.133 0.000 0.317 360 S C -0.109 174.426 174.600 -0.108 0.000 1.090 360 S CA -0.655 57.472 58.200 -0.121 0.000 1.089 360 S CB 0.932 64.090 63.200 -0.070 0.000 0.997 360 S HN 0.767 nan 8.310 nan 0.000 0.470 361 N N 2.854 121.512 118.700 -0.071 0.000 2.735 361 N HA -0.152 -6.892 4.740 -19.133 0.000 0.248 361 N C -0.500 175.009 175.510 -0.001 0.000 1.083 361 N CA 1.022 54.058 53.050 -0.023 0.000 0.703 361 N CB -0.809 37.675 38.487 -0.005 0.000 1.005 361 N HN 0.785 nan 8.380 nan 0.000 0.550 362 E N -3.516 116.646 120.200 -0.063 0.000 2.868 362 E HA -0.191 -7.321 4.350 -19.133 0.000 0.278 362 E C -0.561 176.159 176.600 0.199 0.000 1.009 362 E CA 0.881 57.312 56.400 0.052 0.000 0.856 362 E CB -1.895 27.913 29.700 0.180 0.000 1.428 362 E HN 0.413 nan 8.360 nan 0.000 0.423 363 V N 1.161 121.075 119.914 0.000 0.000 2.409 363 V HA 0.433 -6.927 4.120 -19.133 0.000 0.291 363 V C -0.242 175.833 176.094 -0.030 0.000 1.020 363 V CA -0.693 61.639 62.300 0.053 0.000 0.848 363 V CB 0.892 32.632 31.823 -0.137 0.000 0.990 363 V HN 0.044 nan 8.190 nan 0.000 0.430 364 Y N 1.840 122.149 120.300 0.015 0.000 2.352 364 Y HA 0.672 -6.260 4.550 -19.136 0.000 0.339 364 Y C 0.707 176.654 175.900 0.079 0.000 0.992 364 Y CA -0.386 57.733 58.100 0.032 0.000 1.100 364 Y CB 2.175 40.645 38.460 0.016 0.000 1.192 364 Y HN 0.599 nan 8.280 nan 0.000 0.458 365 S N 2.869 118.690 115.700 0.202 0.000 2.704 365 S HA 0.697 -6.313 4.470 -19.133 0.000 0.305 365 S C -0.923 173.755 174.600 0.131 0.000 1.107 365 S CA -0.901 57.416 58.200 0.194 0.000 0.993 365 S CB 1.090 64.348 63.200 0.097 0.000 1.110 365 S HN 0.448 nan 8.310 nan 0.000 0.534 366 L N 2.279 123.553 121.223 0.086 0.000 2.305 366 L HA 0.572 -6.567 4.340 -19.133 0.000 0.284 366 L C -0.312 176.558 176.870 0.000 0.000 1.013 366 L CA -0.944 53.902 54.840 0.010 0.000 0.819 366 L CB 1.386 43.391 42.059 -0.089 0.000 1.227 366 L HN 0.451 nan 8.230 nan 0.000 0.417 367 V N 0.110 119.951 119.914 -0.122 0.000 2.617 367 V HA 0.499 -6.860 4.120 -19.133 0.000 0.298 367 V C -0.765 175.321 176.094 -0.013 0.000 1.048 367 V CA -0.603 61.627 62.300 -0.116 0.000 0.964 367 V CB 1.730 33.410 31.823 -0.239 0.000 1.004 367 V HN 0.553 nan 8.190 nan 0.000 0.466 368 F N 3.783 123.691 119.950 -0.071 0.000 2.403 368 F HA 0.830 -6.122 4.527 -19.131 0.000 0.355 368 F C 0.218 176.075 175.800 0.095 0.000 1.119 368 F CA -0.676 57.341 58.000 0.028 0.000 1.007 368 F CB 0.574 39.593 39.000 0.032 0.000 1.194 368 F HN 0.947 nan 8.300 nan 0.000 0.443 369 A N 6.591 129.218 122.820 -0.322 0.000 2.317 369 A HA 0.709 -6.450 4.320 -19.133 0.000 0.327 369 A C -0.485 176.917 177.584 -0.303 0.000 1.178 369 A CA -0.884 51.026 52.037 -0.212 0.000 0.817 369 A CB 0.744 19.725 19.000 -0.032 0.000 1.189 369 A HN 0.827 nan 8.150 nan 0.000 0.489 370 R N 2.307 122.703 120.500 -0.173 0.000 2.204 370 R HA 0.305 -6.834 4.340 -19.133 0.000 0.341 370 R C -0.796 175.419 176.300 -0.141 0.000 1.035 370 R CA -0.194 55.812 56.100 -0.157 0.000 0.887 370 R CB 0.662 30.939 30.300 -0.038 0.000 1.114 370 R HN 0.648 nan 8.270 nan 0.000 0.473 371 L N 4.480 125.592 121.223 -0.185 0.000 2.583 371 L HA 0.082 -7.058 4.340 -19.133 0.000 0.239 371 L C 1.323 178.129 176.870 -0.106 0.000 1.347 371 L CA -0.221 54.552 54.840 -0.111 0.000 1.246 371 L CB 0.240 42.249 42.059 -0.082 0.000 1.496 371 L HN 0.568 nan 8.230 nan 0.000 0.413 372 V N 0.977 120.837 119.914 -0.090 0.000 2.270 372 V HA -0.188 -7.547 4.120 -19.133 0.000 0.245 372 V C 2.466 178.534 176.094 -0.044 0.000 1.043 372 V CA 2.293 64.553 62.300 -0.067 0.000 1.014 372 V CB -0.622 31.174 31.823 -0.046 0.000 0.645 372 V HN 0.793 nan 8.190 nan 0.000 0.447 373 G N -0.569 108.210 108.800 -0.034 0.000 2.408 373 G HA2 -0.209 -7.729 3.960 -19.133 0.000 0.217 373 G HA3 -0.209 -7.729 3.960 -19.133 0.000 0.217 373 G C 1.435 176.320 174.900 -0.025 0.000 1.150 373 G CA 0.818 45.904 45.100 -0.024 0.000 0.776 373 G HN 0.532 nan 8.290 nan 0.000 0.542 374 E N -0.176 120.005 120.200 -0.031 0.000 2.077 374 E HA -0.060 -7.190 4.350 -19.133 0.000 0.193 374 E C 2.277 178.855 176.600 -0.035 0.000 0.989 374 E CA 0.439 56.824 56.400 -0.026 0.000 0.800 374 E CB -0.306 29.376 29.700 -0.030 0.000 0.746 374 E HN 0.340 nan 8.360 nan 0.000 0.452 375 L N 0.887 122.082 121.223 -0.046 0.000 2.083 375 L HA -0.107 -7.246 4.340 -19.133 0.000 0.209 375 L C 2.236 179.074 176.870 -0.054 0.000 1.083 375 L CA 1.743 56.551 54.840 -0.053 0.000 0.752 375 L CB -0.298 41.744 42.059 -0.028 0.000 0.899 375 L HN -0.029 nan 8.230 nan 0.000 0.433 376 R N -0.444 120.031 120.500 -0.042 0.000 2.091 376 R HA -0.170 -7.309 4.340 -19.133 0.000 0.238 376 R C 2.311 178.574 176.300 -0.062 0.000 1.136 376 R CA 2.109 58.182 56.100 -0.044 0.000 0.959 376 R CB -0.381 29.901 30.300 -0.031 0.000 0.856 376 R HN 0.459 nan 8.270 nan 0.000 0.437 377 I N 0.416 120.956 120.570 -0.050 0.000 2.179 377 I HA -0.295 -7.605 4.170 -19.133 0.000 0.242 377 I C 2.249 178.281 176.117 -0.141 0.000 1.088 377 I CA 1.278 62.543 61.300 -0.058 0.000 1.357 377 I CB -0.185 37.828 38.000 0.021 0.000 1.051 377 I HN 0.219 nan 8.210 nan 0.000 0.409 378 I N 0.649 121.146 120.570 -0.121 0.000 2.163 378 I HA -0.337 -7.647 4.170 -19.133 0.000 0.243 378 I C 2.497 178.469 176.117 -0.241 0.000 1.085 378 I CA 1.635 62.822 61.300 -0.189 0.000 1.347 378 I CB -0.375 37.547 38.000 -0.131 0.000 1.044 378 I HN 0.148 nan 8.210 nan 0.000 0.408 379 K N -0.018 120.283 120.400 -0.165 0.000 2.097 379 K HA -0.183 -7.343 4.320 -19.133 0.000 0.206 379 K C 2.353 178.847 176.600 -0.177 0.000 1.049 379 K CA 1.665 57.863 56.287 -0.147 0.000 0.933 379 K CB -0.255 32.194 32.500 -0.085 0.000 0.717 379 K HN 0.210 nan 8.250 nan 0.000 0.442 380 S N 0.555 116.147 115.700 -0.179 0.000 2.368 380 S HA -0.109 -7.118 4.470 -19.133 0.000 0.225 380 S C 2.013 176.447 174.600 -0.278 0.000 1.030 380 S CA 1.072 59.164 58.200 -0.180 0.000 0.999 380 S CB -0.136 62.981 63.200 -0.138 0.000 0.844 380 S HN 0.076 nan 8.310 nan 0.000 0.459 381 V N 2.183 121.836 119.914 -0.435 0.000 2.343 381 V HA -0.117 -7.476 4.120 -19.133 0.000 0.247 381 V C 2.421 178.007 176.094 -0.847 0.000 1.051 381 V CA 1.782 63.657 62.300 -0.708 0.000 1.036 381 V CB -0.698 30.466 31.823 -1.099 0.000 0.654 381 V HN 0.484 nan 8.190 nan 0.000 0.451 382 L N -0.094 120.726 121.223 -0.671 0.000 2.083 382 L HA -0.215 -7.355 4.340 -19.133 0.000 0.209 382 L C 2.696 179.469 176.870 -0.162 0.000 1.083 382 L CA 1.659 56.240 54.840 -0.432 0.000 0.752 382 L CB -0.682 41.235 42.059 -0.236 0.000 0.899 382 L HN 0.412 nan 8.230 nan 0.000 0.433 383 Q N 0.162 119.860 119.800 -0.171 0.000 2.084 383 Q HA -0.192 -7.332 4.340 -19.133 0.000 0.202 383 Q C 2.228 178.169 176.000 -0.099 0.000 0.978 383 Q CA 2.164 57.903 55.803 -0.107 0.000 0.844 383 Q CB 0.005 28.671 28.738 -0.120 0.000 0.898 383 Q HN 0.448 nan 8.270 nan 0.000 0.426 384 S N 0.150 115.778 115.700 -0.120 0.000 2.356 384 S HA -0.134 -7.144 4.470 -19.133 0.000 0.223 384 S C 1.413 176.130 174.600 0.195 0.000 1.032 384 S CA 1.227 59.398 58.200 -0.047 0.000 1.005 384 S CB -0.397 62.830 63.200 0.046 0.000 0.867 384 S HN 0.477 nan 8.310 nan 0.000 0.449 385 W N 2.056 123.427 121.300 0.117 0.000 2.355 385 W HA -0.004 -6.836 4.660 -19.154 0.000 0.309 385 W C 2.386 179.039 176.519 0.224 0.000 1.206 385 W CA 0.607 58.128 57.345 0.294 0.000 1.284 385 W CB -1.158 28.480 29.460 0.296 0.000 1.145 385 W HN 0.307 nan 8.180 nan 0.000 0.502 386 K N 0.212 120.811 120.400 0.332 0.000 2.057 386 K HA -0.186 -7.346 4.320 -19.133 0.000 0.207 386 K C 1.681 178.341 176.600 0.099 0.000 1.049 386 K CA 1.684 58.086 56.287 0.192 0.000 0.931 386 K CB -0.301 32.265 32.500 0.109 0.000 0.714 386 K HN -0.035 nan 8.250 nan 0.000 0.440 387 N N 0.239 118.923 118.700 -0.026 0.000 2.142 387 N HA -0.138 -6.878 4.740 -19.133 0.000 0.186 387 N C 1.487 176.884 175.510 -0.188 0.000 1.023 387 N CA 1.359 54.285 53.050 -0.206 0.000 0.852 387 N CB -0.428 37.797 38.487 -0.437 0.000 0.998 387 N HN 0.360 nan 8.380 nan 0.000 0.424 388 W N 1.468 122.808 121.300 0.066 0.000 2.388 388 W HA -0.053 -6.875 4.660 -19.136 0.000 0.294 388 W C 1.746 178.390 176.519 0.208 0.000 1.212 388 W CA 0.093 57.492 57.345 0.091 0.000 1.271 388 W CB -0.059 29.314 29.460 -0.146 0.000 1.126 388 W HN -0.012 nan 8.180 nan 0.000 0.535 389 D N -0.335 120.327 120.400 0.438 0.000 2.144 389 D HA -0.141 -6.981 4.640 -19.133 0.000 0.199 389 D C 2.168 178.589 176.300 0.202 0.000 0.984 389 D CA 1.470 55.661 54.000 0.318 0.000 0.834 389 D CB -0.574 40.388 40.800 0.270 0.000 0.955 389 D HN -0.049 nan 8.370 nan 0.000 0.465 390 S N -0.571 115.227 115.700 0.163 0.000 2.368 390 S HA -0.181 -7.191 4.470 -19.133 0.000 0.224 390 S C 1.756 176.425 174.600 0.116 0.000 1.029 390 S CA 1.166 59.427 58.200 0.100 0.000 0.988 390 S CB -0.241 62.990 63.200 0.053 0.000 0.838 390 S HN 0.452 nan 8.310 nan 0.000 0.462 391 H N 1.775 120.882 119.070 0.061 0.000 2.290 391 H HA 0.002 -6.923 4.556 -19.134 0.000 0.298 391 H C 1.836 177.240 175.328 0.127 0.000 1.087 391 H CA 1.828 57.922 56.048 0.076 0.000 1.291 391 H CB -0.573 29.263 29.762 0.124 0.000 1.369 391 H HN 0.275 nan 8.280 nan 0.000 0.492 392 L N -0.505 120.706 121.223 -0.020 0.000 2.046 392 L HA -0.146 -7.286 4.340 -19.133 0.000 0.208 392 L C 2.687 179.514 176.870 -0.071 0.000 1.077 392 L CA 1.417 56.177 54.840 -0.132 0.000 0.747 392 L CB -0.530 41.533 42.059 0.006 0.000 0.896 392 L HN 0.272 nan 8.230 nan 0.000 0.432 393 S N -0.512 115.189 115.700 0.001 0.000 2.419 393 S HA -0.131 -7.141 4.470 -19.133 0.000 0.233 393 S C 2.042 176.637 174.600 -0.008 0.000 1.016 393 S CA 1.433 59.636 58.200 0.005 0.000 0.974 393 S CB -0.151 63.069 63.200 0.032 0.000 0.786 393 S HN 0.618 nan 8.310 nan 0.000 0.492 394 S N 0.320 116.012 115.700 -0.013 0.000 2.548 394 S HA 0.260 -6.750 4.470 -19.133 0.000 0.215 394 S C 0.483 175.072 174.600 -0.018 0.000 0.976 394 S CA -0.364 57.833 58.200 -0.005 0.000 0.908 394 S CB -0.449 62.762 63.200 0.018 0.000 0.781 394 S HN 0.346 nan 8.310 nan 0.000 0.519 395 I N 2.118 122.655 120.570 -0.054 0.000 2.683 395 I HA 0.014 -7.296 4.170 -19.133 0.000 0.286 395 I C 0.671 176.771 176.117 -0.028 0.000 1.175 395 I CA -0.436 60.836 61.300 -0.048 0.000 1.429 395 I CB 0.380 38.328 38.000 -0.087 0.000 1.371 395 I HN 0.292 nan 8.210 nan 0.000 0.569 396 c N 7.799 126.390 118.600 -0.015 0.000 2.383 396 c HA 0.295 -6.615 4.570 -19.133 0.000 0.350 396 c C 1.084 175.158 174.090 -0.025 0.000 1.173 396 c CA -0.577 55.743 56.329 -0.016 0.000 1.645 396 c CB -1.413 41.092 42.510 -0.007 0.000 2.221 396 c HN 0.865 nan 8.230 nan 0.000 0.528 397 T N 5.179 119.713 114.554 -0.034 0.000 2.904 397 T HA 0.458 -6.672 4.350 -19.133 0.000 0.290 397 T C -2.536 172.135 174.700 -0.048 0.000 1.018 397 T CA -1.314 60.757 62.100 -0.047 0.000 1.075 397 T CB 0.780 69.615 68.868 -0.054 0.000 0.986 397 T HN 0.537 nan 8.240 nan 0.000 0.523 398 P HA 0.299 nan 4.420 nan 0.000 0.267 398 P C -0.024 177.246 177.300 -0.051 0.000 1.200 398 P CA -0.196 62.866 63.100 -0.062 0.000 0.772 398 P CB 0.102 31.746 31.700 -0.094 0.000 0.855 410 c N 1.537 120.129 118.600 -0.013 0.000 2.350 410 c HA 0.856 -6.054 4.570 -19.133 0.000 0.348 410 c C 1.502 175.580 174.090 -0.019 0.000 1.260 410 c CA 0.377 56.696 56.329 -0.017 0.000 1.966 410 c CB 0.659 43.161 42.510 -0.015 0.000 2.380 410 c HN 1.036 nan 8.230 nan 0.000 0.535 411 G N 3.001 111.786 108.800 -0.025 0.000 2.508 411 G HA2 0.507 -7.013 3.960 -19.133 0.000 0.278 411 G HA3 0.507 -7.013 3.960 -19.133 0.000 0.278 411 G C -2.617 172.267 174.900 -0.027 0.000 1.389 411 G CA -0.570 44.514 45.100 -0.026 0.000 1.050 411 G HN 0.550 nan 8.290 nan 0.000 0.522 412 P HA 0.285 nan 4.420 nan 0.000 0.266 412 P C -0.044 177.236 177.300 -0.033 0.000 1.193 412 P CA 0.047 63.129 63.100 -0.031 0.000 0.770 412 P CB 0.489 32.168 31.700 -0.035 0.000 0.836 413 A N 3.072 125.875 122.820 -0.029 0.000 2.407 413 A HA 0.233 -6.927 4.320 -19.133 0.000 0.248 413 A C 0.088 177.653 177.584 -0.033 0.000 1.082 413 A CA -0.459 51.561 52.037 -0.028 0.000 0.785 413 A CB -0.021 18.967 19.000 -0.019 0.000 1.020 413 A HN 0.403 nan 8.150 nan 0.000 0.489 414 V N 2.043 121.937 119.914 -0.034 0.000 2.617 414 V HA 0.084 -7.275 4.120 -19.133 0.000 0.304 414 V C 1.284 177.373 176.094 -0.008 0.000 1.040 414 V CA 0.634 62.917 62.300 -0.028 0.000 1.149 414 V CB 0.820 32.622 31.823 -0.035 0.000 0.914 414 V HN 0.968 nan 8.190 nan 0.000 0.487 415 T N 3.453 118.005 114.554 -0.003 0.000 2.869 415 T HA 0.247 -6.883 4.350 -19.133 0.000 0.295 415 T C 0.972 175.748 174.700 0.127 0.000 0.987 415 T CA 0.179 62.293 62.100 0.023 0.000 1.109 415 T CB 0.739 69.577 68.868 -0.049 0.000 0.932 415 T HN 1.035 nan 8.240 nan 0.000 0.518 416 T N 1.480 116.087 114.554 0.088 0.000 3.044 416 T HA 0.249 -6.881 4.350 -19.133 0.000 0.260 416 T C 0.408 175.130 174.700 0.036 0.000 1.019 416 T CA -0.287 61.852 62.100 0.064 0.000 0.921 416 T CB 0.053 68.951 68.868 0.050 0.000 1.053 416 T HN 0.360 nan 8.240 nan 0.000 0.533 417 V N 2.504 122.456 119.914 0.064 0.000 2.415 417 V HA 0.528 -6.832 4.120 -19.133 0.000 0.267 417 V C 1.585 177.706 176.094 0.045 0.000 1.042 417 V CA 0.898 63.211 62.300 0.021 0.000 1.000 417 V CB -0.301 31.523 31.823 0.002 0.000 1.015 417 V HN 0.841 nan 8.190 nan 0.000 0.478 418 G N 4.515 113.282 108.800 -0.055 0.000 2.157 418 G HA2 -0.213 -7.733 3.960 -19.133 0.000 0.248 418 G HA3 -0.213 -7.733 3.960 -19.133 0.000 0.248 418 G C -0.143 174.619 174.900 -0.231 0.000 0.979 418 G CA 0.069 45.102 45.100 -0.112 0.000 0.650 418 G HN 0.756 nan 8.290 nan 0.000 0.529 419 L N 1.574 122.569 121.223 -0.379 0.000 2.369 419 L HA 0.658 -6.482 4.340 -19.133 0.000 0.279 419 L C 1.232 177.632 176.870 -0.784 0.000 1.108 419 L CA 0.283 54.612 54.840 -0.851 0.000 0.852 419 L CB 1.435 43.013 42.059 -0.801 0.000 1.169 419 L HN 0.022 nan 8.230 nan 0.000 0.452 420 V N 4.337 123.840 119.914 -0.684 0.000 2.922 420 V HA 0.479 -6.880 4.120 -19.133 0.000 0.242 420 V C 0.980 176.869 176.094 -0.341 0.000 1.094 420 V CA 0.751 62.737 62.300 -0.523 0.000 1.106 420 V CB 0.255 31.842 31.823 -0.394 0.000 0.799 420 V HN 0.876 nan 8.190 nan 0.000 0.474 421 G N -1.142 107.532 108.800 -0.210 0.000 2.690 421 G HA2 0.627 -6.893 3.960 -19.133 0.000 0.293 421 G HA3 0.627 -6.893 3.960 -19.133 0.000 0.293 421 G C -1.955 173.235 174.900 0.484 0.000 1.399 421 G CA -0.416 44.864 45.100 0.301 0.000 0.890 421 G HN -0.005 nan 8.290 nan 0.000 0.485 422 F N 1.578 121.725 119.950 0.329 0.000 2.689 422 F HA 0.509 -6.446 4.527 -19.136 0.000 0.332 422 F C -1.344 174.319 175.800 -0.230 0.000 1.209 422 F CA -1.130 56.891 58.000 0.035 0.000 1.028 422 F CB 1.340 40.384 39.000 0.074 0.000 1.291 422 F HN 0.289 nan 8.300 nan 0.000 0.500 423 L N 6.207 127.120 121.223 -0.516 0.000 2.272 423 L HA 0.518 -6.621 4.340 -19.133 0.000 0.289 423 L C 0.010 176.404 176.870 -0.793 0.000 1.032 423 L CA -0.116 54.072 54.840 -1.087 0.000 0.810 423 L CB 1.486 42.255 42.059 -2.150 0.000 1.205 423 L HN 0.663 nan 8.230 nan 0.000 0.422 424 S N 0.233 115.624 115.700 -0.515 0.000 4.297 424 S HA 0.137 -6.873 4.470 -19.133 0.000 0.226 424 S C 0.994 175.651 174.600 0.095 0.000 1.134 424 S CA -0.061 57.961 58.200 -0.296 0.000 1.591 424 S CB 0.162 62.797 63.200 -0.942 0.000 1.393 424 S HN 0.795 nan 8.310 nan 0.000 0.727 425 H N 1.324 120.328 119.070 -0.110 0.000 2.395 425 H HA 0.373 -6.551 4.556 -19.134 0.000 0.299 425 H C 0.364 175.687 175.328 -0.008 0.000 1.070 425 H CA 1.600 57.629 56.048 -0.031 0.000 1.356 425 H CB -0.173 29.566 29.762 -0.039 0.000 1.401 425 H HN 0.251 nan 8.280 nan 0.000 0.524 426 S N 0.337 116.065 115.700 0.047 0.000 2.528 426 S HA 0.577 -6.433 4.470 -19.133 0.000 0.277 426 S C -0.395 174.232 174.600 0.045 0.000 1.297 426 S CA -0.067 58.150 58.200 0.027 0.000 1.052 426 S CB 1.319 64.556 63.200 0.062 0.000 0.917 426 S HN 0.561 nan 8.310 nan 0.000 0.492 427 A N 2.472 125.271 122.820 -0.034 0.000 2.566 427 A HA 0.743 -6.417 4.320 -19.133 0.000 0.297 427 A C 0.052 177.606 177.584 -0.050 0.000 1.059 427 A CA -0.888 51.126 52.037 -0.039 0.000 0.691 427 A CB 1.014 19.889 19.000 -0.210 0.000 1.282 427 A HN 0.752 nan 8.150 nan 0.000 0.401 428 T N -1.054 113.491 114.554 -0.014 0.000 2.892 428 T HA 0.467 -6.663 4.350 -19.133 0.000 0.280 428 T C 1.074 175.752 174.700 -0.036 0.000 1.004 428 T CA 0.156 62.246 62.100 -0.016 0.000 0.950 428 T CB 0.738 69.616 68.868 0.016 0.000 1.309 428 T HN 0.610 nan 8.240 nan 0.000 0.592 429 K N 0.199 120.584 120.400 -0.025 0.000 2.211 429 K HA -0.028 -7.188 4.320 -19.133 0.000 0.203 429 K C 1.896 178.486 176.600 -0.017 0.000 1.050 429 K CA 1.986 58.253 56.287 -0.033 0.000 0.945 429 K CB -0.698 31.789 32.500 -0.022 0.000 0.732 429 K HN 0.831 nan 8.250 nan 0.000 0.451 430 T N -3.355 111.204 114.554 0.008 0.000 3.040 430 T HA 0.294 -6.835 4.350 -19.133 0.000 0.266 430 T C -0.049 174.687 174.700 0.059 0.000 1.005 430 T CA -0.627 61.491 62.100 0.030 0.000 0.906 430 T CB 0.214 69.103 68.868 0.035 0.000 1.082 430 T HN 0.048 nan 8.240 nan 0.000 0.531 431 E N -0.036 120.202 120.200 0.062 0.000 2.367 431 E HA 0.384 -6.746 4.350 -19.133 0.000 0.273 431 E C -1.953 174.738 176.600 0.151 0.000 0.903 431 E CA -0.934 55.536 56.400 0.116 0.000 0.764 431 E CB 1.822 31.590 29.700 0.113 0.000 1.252 431 E HN 0.204 nan 8.360 nan 0.000 0.446 432 W N 3.017 124.295 121.300 -0.036 0.000 2.329 432 W HA 0.270 -6.548 4.660 -19.130 0.000 0.312 432 W C -0.582 175.876 176.519 -0.102 0.000 1.054 432 W CA -0.975 56.314 57.345 -0.094 0.000 1.245 432 W CB 0.662 30.047 29.460 -0.125 0.000 1.255 432 W HN 0.498 nan 8.180 nan 0.000 0.436 433 E N 3.221 123.550 120.200 0.214 0.000 2.259 433 E HA -0.018 -7.148 4.350 -19.133 0.000 0.281 433 E C -0.459 176.127 176.600 -0.024 0.000 1.037 433 E CA -0.339 56.114 56.400 0.089 0.000 0.854 433 E CB 1.037 30.795 29.700 0.096 0.000 1.051 433 E HN 0.192 nan 8.360 nan 0.000 0.409 434 D N 2.172 122.611 120.400 0.065 0.000 2.417 434 D HA 0.023 -6.817 4.640 -19.133 0.000 0.250 434 D C 0.675 177.033 176.300 0.097 0.000 1.166 434 D CA 0.085 54.165 54.000 0.134 0.000 0.881 434 D CB 1.225 42.248 40.800 0.372 0.000 1.164 434 D HN 0.500 nan 8.370 nan 0.000 0.467 435 A N 3.965 126.743 122.820 -0.070 0.000 2.019 435 A HA -0.206 -7.366 4.320 -19.133 0.000 0.219 435 A C 1.493 179.042 177.584 -0.058 0.000 1.164 435 A CA 1.110 52.986 52.037 -0.267 0.000 0.644 435 A CB -0.690 17.776 19.000 -0.890 0.000 0.805 435 A HN 0.746 nan 8.150 nan 0.000 0.449 436 Y N -1.176 119.298 120.300 0.289 0.000 2.529 436 Y HA 0.156 -6.774 4.550 -19.134 0.000 0.290 436 Y C 0.994 177.247 175.900 0.588 0.000 1.177 436 Y CA 0.566 58.943 58.100 0.461 0.000 1.305 436 Y CB -0.046 38.543 38.460 0.215 0.000 1.047 436 Y HN 0.358 nan 8.280 nan 0.000 0.522 437 R N -2.865 117.940 120.500 0.509 0.000 3.953 437 R HA -0.269 -7.408 4.340 -19.133 0.000 0.340 437 R C 0.627 177.289 176.300 0.603 0.000 1.195 437 R CA 0.797 57.179 56.100 0.470 0.000 0.929 437 R CB -2.664 27.848 30.300 0.354 0.000 1.402 437 R HN 0.435 nan 8.270 nan 0.000 0.540 438 C N -1.312 118.339 119.300 0.585 0.000 2.406 438 C HA 0.259 -6.761 4.460 -19.133 0.000 0.343 438 C C 0.874 176.062 174.990 0.329 0.000 1.397 438 C CA 0.210 59.543 59.018 0.526 0.000 2.069 438 C CB 0.730 28.791 27.740 0.534 0.000 2.374 438 C HN 0.240 nan 8.230 nan 0.000 0.545 439 V N 3.227 123.356 119.914 0.357 0.000 2.462 439 V HA 0.354 -7.006 4.120 -19.133 0.000 0.288 439 V C -1.268 175.115 176.094 0.483 0.000 1.020 439 V CA -0.449 62.022 62.300 0.284 0.000 0.857 439 V CB 1.166 32.978 31.823 -0.019 0.000 1.013 439 V HN 0.375 nan 8.190 nan 0.000 0.431 440 N N 2.557 121.452 118.700 0.325 0.000 2.445 440 N HA 0.697 -6.043 4.740 -19.133 0.000 0.264 440 N C 0.108 175.787 175.510 0.280 0.000 1.227 440 N CA -0.185 53.019 53.050 0.257 0.000 0.963 440 N CB 1.726 40.322 38.487 0.181 0.000 1.188 440 N HN 0.811 nan 8.380 nan 0.000 0.491 441 A N 0.058 122.939 122.820 0.101 0.000 2.312 441 A HA 0.544 -6.615 4.320 -19.133 0.000 0.328 441 A C 0.140 177.841 177.584 0.196 0.000 1.158 441 A CA -0.649 51.479 52.037 0.152 0.000 0.821 441 A CB 0.233 19.210 19.000 -0.038 0.000 1.170 441 A HN 0.654 nan 8.150 nan 0.000 0.490 442 S N 0.834 116.648 115.700 0.190 0.000 2.586 442 S HA 0.699 -6.311 4.470 -19.133 0.000 0.274 442 S C 0.162 174.867 174.600 0.175 0.000 1.281 442 S CA 0.168 58.459 58.200 0.152 0.000 1.035 442 S CB 1.056 64.321 63.200 0.108 0.000 0.962 442 S HN 1.433 nan 8.310 nan 0.000 0.512 443 T N -2.035 112.611 114.554 0.153 0.000 2.901 443 T HA 0.853 -6.277 4.350 -19.133 0.000 0.293 443 T C -0.734 174.046 174.700 0.134 0.000 1.084 443 T CA -0.811 61.400 62.100 0.186 0.000 1.008 443 T CB 1.521 70.493 68.868 0.173 0.000 1.170 443 T HN 1.454 nan 8.240 nan 0.000 0.509 444 A N 1.520 124.443 122.820 0.172 0.000 2.488 444 A HA 0.729 -6.430 4.320 -19.133 0.000 0.298 444 A C -0.211 177.470 177.584 0.162 0.000 1.044 444 A CA -0.976 51.135 52.037 0.123 0.000 0.693 444 A CB 0.633 19.689 19.000 0.093 0.000 1.272 444 A HN 1.030 nan 8.150 nan 0.000 0.402 445 N N -1.257 117.496 118.700 0.088 0.000 2.735 445 N HA -0.158 -6.898 4.740 -19.133 0.000 0.248 445 N C -0.141 175.395 175.510 0.045 0.000 1.083 445 N CA 1.377 54.471 53.050 0.073 0.000 0.703 445 N CB -1.437 37.109 38.487 0.099 0.000 1.005 445 N HN 1.513 nan 8.380 nan 0.000 0.550 446 A N -0.232 122.552 122.820 -0.059 0.000 2.340 446 A HA 0.703 -6.456 4.320 -19.133 0.000 0.331 446 A C -0.005 177.389 177.584 -0.317 0.000 1.140 446 A CA -0.578 51.266 52.037 -0.323 0.000 0.801 446 A CB 1.671 20.384 19.000 -0.478 0.000 1.234 446 A HN 0.233 nan 8.150 nan 0.000 0.469 447 E N 1.480 121.438 120.200 -0.403 0.000 2.222 447 E HA 0.392 -6.738 4.350 -19.133 0.000 0.267 447 E C -0.696 175.679 176.600 -0.376 0.000 0.884 447 E CA -0.728 55.489 56.400 -0.305 0.000 0.764 447 E CB 1.092 30.659 29.700 -0.222 0.000 1.169 447 E HN 0.661 nan 8.360 nan 0.000 0.413 448 R N 1.955 122.265 120.500 -0.317 0.000 2.489 448 R HA 0.216 -6.924 4.340 -19.133 0.000 0.287 448 R C 0.065 176.201 176.300 -0.273 0.000 1.053 448 R CA -0.098 55.796 56.100 -0.342 0.000 1.036 448 R CB 0.671 30.790 30.300 -0.302 0.000 0.966 448 R HN 0.390 nan 8.270 nan 0.000 0.432 449 V N 0.601 120.351 119.914 -0.274 0.000 3.141 449 V HA 0.562 -6.798 4.120 -19.133 0.000 0.312 449 V C -2.638 173.401 176.094 -0.091 0.000 1.157 449 V CA -3.249 58.960 62.300 -0.150 0.000 1.041 449 V CB 1.998 33.752 31.823 -0.115 0.000 1.071 449 V HN 0.522 nan 8.190 nan 0.000 0.441 450 P HA 0.215 nan 4.420 nan 0.000 0.261 450 P C -0.069 177.351 177.300 0.199 0.000 1.183 450 P CA 0.784 64.011 63.100 0.213 0.000 0.761 450 P CB -0.111 31.671 31.700 0.137 0.000 0.785 451 N N 1.329 120.260 118.700 0.386 0.000 2.741 451 N HA -0.168 -6.908 4.740 -19.133 0.000 0.251 451 N C 0.522 176.137 175.510 0.176 0.000 1.112 451 N CA 1.780 54.971 53.050 0.235 0.000 0.750 451 N CB -1.402 37.197 38.487 0.187 0.000 1.119 451 N HN 0.712 nan 8.380 nan 0.000 0.561 452 G N -1.487 107.342 108.800 0.048 0.000 2.356 452 G HA2 0.526 -6.994 3.960 -19.133 0.000 0.281 452 G HA3 0.526 -6.994 3.960 -19.133 0.000 0.281 452 G C -1.831 172.797 174.900 -0.452 0.000 1.246 452 G CA -0.707 44.388 45.100 -0.009 0.000 0.889 452 G HN 0.098 nan 8.290 nan 0.000 0.486 453 L N 0.205 121.022 121.223 -0.675 0.000 2.401 453 L HA 0.641 -6.498 4.340 -19.133 0.000 0.266 453 L C -0.401 175.983 176.870 -0.811 0.000 0.991 453 L CA -0.872 53.389 54.840 -0.965 0.000 0.818 453 L CB 2.622 43.714 42.059 -1.613 0.000 1.321 453 L HN 0.592 nan 8.230 nan 0.000 0.413 454 K N 2.101 122.075 120.400 -0.710 0.000 2.235 454 K HA 0.629 -6.531 4.320 -19.133 0.000 0.266 454 K C -1.579 174.711 176.600 -0.516 0.000 0.980 454 K CA -0.325 55.712 56.287 -0.418 0.000 0.849 454 K CB 0.956 33.331 32.500 -0.209 0.000 1.098 454 K HN 0.286 nan 8.250 nan 0.000 0.445 455 F N 2.052 121.993 119.950 -0.015 0.000 2.538 455 F HA 0.749 -6.204 4.527 -19.134 0.000 0.325 455 F C 0.114 175.931 175.800 0.029 0.000 1.066 455 F CA -0.717 57.278 58.000 -0.010 0.000 0.946 455 F CB 2.358 41.361 39.000 0.005 0.000 1.199 455 F HN 0.588 nan 8.300 nan 0.000 0.473 456 A N 1.073 124.027 122.820 0.223 0.000 2.605 456 A HA 0.784 -6.376 4.320 -19.133 0.000 0.294 456 A C -0.454 177.197 177.584 0.112 0.000 1.062 456 A CA -0.270 51.853 52.037 0.143 0.000 0.682 456 A CB 1.202 20.253 19.000 0.085 0.000 1.278 456 A HN 1.844 nan 8.150 nan 0.000 0.410 457 G N -0.782 108.072 108.800 0.090 0.000 2.712 457 G HA2 0.309 -7.210 3.960 -19.133 0.000 0.686 457 G HA3 0.309 -7.210 3.960 -19.133 0.000 0.686 457 G C -0.348 174.591 174.900 0.065 0.000 1.321 457 G CA -0.501 44.639 45.100 0.067 0.000 0.813 457 G HN 1.849 nan 8.290 nan 0.000 0.599 458 V N 2.011 121.956 119.914 0.051 0.000 2.694 458 V HA 0.378 -6.981 4.120 -19.133 0.000 0.306 458 V C 2.042 178.167 176.094 0.052 0.000 1.054 458 V CA 2.354 64.684 62.300 0.049 0.000 1.161 458 V CB 0.609 32.455 31.823 0.037 0.000 0.916 458 V HN 2.846 nan 8.190 nan 0.000 0.490 459 G N 3.503 112.339 108.800 0.059 0.000 2.199 459 G HA2 -0.155 -7.675 3.960 -19.133 0.000 0.254 459 G HA3 -0.155 -7.675 3.960 -19.133 0.000 0.254 459 G C 0.548 175.488 174.900 0.067 0.000 0.982 459 G CA -0.032 45.102 45.100 0.058 0.000 0.632 459 G HN 1.381 nan 8.290 nan 0.000 0.529 460 G N -0.453 108.391 108.800 0.074 0.000 2.539 460 G HA2 0.798 -6.722 3.960 -19.133 0.000 0.258 460 G HA3 0.798 -6.722 3.960 -19.133 0.000 0.258 460 G C 0.626 175.527 174.900 0.002 0.000 1.202 460 G CA 0.989 46.152 45.100 0.106 0.000 0.851 460 G HN 1.884 nan 8.290 nan 0.000 0.556 461 G N -1.413 107.347 108.800 -0.067 0.000 2.334 461 G HA2 0.556 -6.964 3.960 -19.133 0.000 0.315 461 G HA3 0.556 -6.964 3.960 -19.133 0.000 0.315 461 G C -0.772 173.977 174.900 -0.251 0.000 1.284 461 G CA -0.013 44.738 45.100 -0.581 0.000 0.985 461 G HN 1.967 nan 8.290 nan 0.000 0.504 462 A N -0.956 121.740 122.820 -0.207 0.000 2.435 462 A HA 0.909 -6.251 4.320 -19.133 0.000 0.304 462 A C -0.955 176.749 177.584 0.199 0.000 1.064 462 A CA -0.354 51.779 52.037 0.159 0.000 0.727 462 A CB 1.946 21.216 19.000 0.450 0.000 1.284 462 A HN 2.004 nan 8.150 nan 0.000 0.415 463 L N 1.434 122.791 121.223 0.223 0.000 2.343 463 L HA 0.620 -6.520 4.340 -19.133 0.000 0.278 463 L C -1.782 175.301 176.870 0.356 0.000 0.996 463 L CA -0.433 54.558 54.840 0.253 0.000 0.831 463 L CB 1.120 43.216 42.059 0.061 0.000 1.232 463 L HN 0.798 nan 8.230 nan 0.000 0.413 464 W N 9.069 130.518 121.300 0.248 0.000 2.282 464 W HA 0.468 -6.347 4.660 -19.125 0.000 0.322 464 W C -2.355 174.311 176.519 0.245 0.000 1.011 464 W CA -2.859 54.642 57.345 0.259 0.000 1.392 464 W CB 0.902 30.555 29.460 0.322 0.000 1.215 464 W HN 0.303 nan 8.180 nan 0.000 0.394 465 P HA 0.073 nan 4.420 nan 0.000 0.271 465 P C -0.012 177.260 177.300 -0.047 0.000 1.216 465 P CA 0.299 63.466 63.100 0.113 0.000 0.776 465 P CB 2.438 34.172 31.700 0.057 0.000 0.881 466 V N 2.468 122.311 119.914 -0.119 0.000 4.255 466 V HA -0.038 -7.398 4.120 -19.133 0.000 0.186 466 V C 2.505 178.490 176.094 -0.181 0.000 1.068 466 V CA 1.377 63.536 62.300 -0.235 0.000 1.418 466 V CB -1.179 30.366 31.823 -0.463 0.000 1.876 466 V HN 0.614 nan 8.190 nan 0.000 0.469 467 S N -0.030 115.573 115.700 -0.162 0.000 2.442 467 S HA -0.222 -7.231 4.470 -19.133 0.000 0.236 467 S C 1.640 176.202 174.600 -0.065 0.000 1.007 467 S CA 1.426 59.566 58.200 -0.100 0.000 0.965 467 S CB -0.557 62.592 63.200 -0.085 0.000 0.773 467 S HN 0.598 nan 8.310 nan 0.000 0.504 468 Q N 0.774 120.546 119.800 -0.045 0.000 2.439 468 Q HA -0.072 -7.211 4.340 -19.133 0.000 0.211 468 Q C 2.046 178.029 176.000 -0.029 0.000 0.978 468 Q CA 0.871 56.660 55.803 -0.024 0.000 0.897 468 Q CB -0.326 28.410 28.738 -0.003 0.000 0.956 468 Q HN 0.762 nan 8.270 nan 0.000 0.483 469 Q N -0.397 119.368 119.800 -0.058 0.000 2.291 469 Q HA -0.096 -7.236 4.340 -19.133 0.000 0.206 469 Q C 1.101 177.090 176.000 -0.019 0.000 0.976 469 Q CA 0.749 56.520 55.803 -0.054 0.000 0.875 469 Q CB 0.073 28.738 28.738 -0.122 0.000 0.927 469 Q HN 0.498 nan 8.270 nan 0.000 0.450 470 G N 0.542 109.326 108.800 -0.027 0.000 2.669 470 G HA2 -0.430 -7.950 3.960 -19.133 0.000 0.250 470 G HA3 -0.430 -7.950 3.960 -19.133 0.000 0.250 470 G C 0.389 175.285 174.900 -0.007 0.000 1.247 470 G CA 0.269 45.363 45.100 -0.011 0.000 0.958 470 G HN 0.328 nan 8.290 nan 0.000 0.559 471 Q N 0.696 120.515 119.800 0.031 0.000 2.050 471 Q HA -0.030 -7.170 4.340 -19.133 0.000 0.202 471 Q C 0.835 176.840 176.000 0.008 0.000 0.980 471 Q CA 1.809 57.639 55.803 0.045 0.000 0.840 471 Q CB -0.195 28.619 28.738 0.128 0.000 0.898 471 Q HN 0.620 nan 8.270 nan 0.000 0.424 472 N N 0.867 119.584 118.700 0.027 0.000 2.444 472 N HA 0.203 -6.537 4.740 -19.133 0.000 0.262 472 N C -1.611 173.797 175.510 -0.171 0.000 0.974 472 N CA -0.204 52.782 53.050 -0.106 0.000 0.933 472 N CB 1.552 40.045 38.487 0.011 0.000 1.137 472 N HN 0.089 nan 8.380 nan 0.000 0.498 473 Q N 1.796 121.426 119.800 -0.284 0.000 2.508 473 Q HA 0.249 -6.891 4.340 -19.133 0.000 0.247 473 Q C 0.354 176.179 176.000 -0.292 0.000 1.047 473 Q CA -0.326 55.337 55.803 -0.233 0.000 0.783 473 Q CB 1.156 29.814 28.738 -0.134 0.000 1.172 473 Q HN 0.480 nan 8.270 nan 0.000 0.515 474 R N 0.560 120.879 120.500 -0.302 0.000 2.235 474 R HA -0.058 -7.198 4.340 -19.133 0.000 0.213 474 R C 0.601 176.922 176.300 0.035 0.000 1.059 474 R CA 1.080 57.050 56.100 -0.217 0.000 0.997 474 R CB 0.305 30.504 30.300 -0.169 0.000 0.884 474 R HN 0.585 nan 8.270 nan 0.000 0.462 475 Y N -1.231 118.877 120.300 -0.320 0.000 2.658 475 Y HA 0.050 -6.876 4.550 -19.127 0.000 0.276 475 Y C 1.445 176.846 175.900 -0.832 0.000 1.167 475 Y CA -0.601 57.062 58.100 -0.729 0.000 1.230 475 Y CB 0.171 38.233 38.460 -0.662 0.000 1.144 475 Y HN 0.176 nan 8.280 nan 0.000 0.529 476 H N 0.962 119.822 119.070 -0.349 0.000 2.460 476 H HA -0.254 -7.174 4.556 -19.126 0.000 0.297 476 H C 1.887 177.115 175.328 -0.166 0.000 1.103 476 H CA 2.303 58.198 56.048 -0.255 0.000 1.292 476 H CB -0.332 29.317 29.762 -0.189 0.000 1.376 476 H HN 0.533 nan 8.280 nan 0.000 0.531 477 F N -1.154 118.836 119.950 0.066 0.000 2.236 477 F HA -0.110 -7.071 4.527 -19.147 0.000 0.302 477 F C 2.373 178.226 175.800 0.088 0.000 1.073 477 F CA 0.702 58.754 58.000 0.087 0.000 1.336 477 F CB -0.857 38.153 39.000 0.017 0.000 1.040 477 F HN 0.168 nan 8.300 nan 0.000 0.507 478 A N 1.118 123.631 122.820 -0.512 0.000 2.067 478 A HA -0.144 -7.303 4.320 -19.133 0.000 0.219 478 A C 1.906 179.509 177.584 0.032 0.000 1.158 478 A CA 1.336 53.315 52.037 -0.097 0.000 0.661 478 A CB -0.862 17.887 19.000 -0.418 0.000 0.801 478 A HN 0.517 nan 8.150 nan 0.000 0.452 479 N N -0.439 118.130 118.700 -0.219 0.000 2.520 479 N HA -0.107 -6.847 4.740 -19.133 0.000 0.185 479 N C 1.047 176.307 175.510 -0.418 0.000 1.068 479 N CA 1.097 53.943 53.050 -0.341 0.000 0.911 479 N CB -0.248 37.895 38.487 -0.573 0.000 0.961 479 N HN 0.683 nan 8.380 nan 0.000 0.446 480 H N -0.841 118.256 119.070 0.045 0.000 2.501 480 H HA 0.476 -6.449 4.556 -19.136 0.000 0.281 480 H C 0.387 175.766 175.328 0.086 0.000 0.988 480 H CA 0.484 56.571 56.048 0.066 0.000 1.232 480 H CB 1.017 30.823 29.762 0.073 0.000 1.455 480 H HN 0.067 nan 8.280 nan 0.000 0.501 481 A N 0.650 123.635 122.820 0.276 0.000 2.594 481 A HA 0.504 -6.656 4.320 -19.133 0.000 0.296 481 A C -1.763 176.026 177.584 0.342 0.000 1.061 481 A CA -0.587 51.552 52.037 0.169 0.000 0.689 481 A CB 1.173 20.229 19.000 0.092 0.000 1.280 481 A HN 0.226 nan 8.150 nan 0.000 0.406 482 F N -1.395 118.635 119.950 0.134 0.000 2.741 482 F HA 0.849 -6.103 4.527 -19.132 0.000 0.311 482 F C -0.847 174.986 175.800 0.054 0.000 1.149 482 F CA -0.622 57.467 58.000 0.149 0.000 0.930 482 F CB 1.233 40.361 39.000 0.214 0.000 1.312 482 F HN 0.461 nan 8.300 nan 0.000 0.450 483 T N 2.999 117.700 114.554 0.246 0.000 2.848 483 T HA 0.643 -6.487 4.350 -19.133 0.000 0.285 483 T C -1.808 173.050 174.700 0.263 0.000 0.995 483 T CA -0.401 61.779 62.100 0.132 0.000 0.970 483 T CB 1.594 70.451 68.868 -0.018 0.000 0.976 483 T HN 0.787 nan 8.240 nan 0.000 0.441 484 L N 4.698 126.047 121.223 0.210 0.000 2.333 484 L HA 0.808 -6.332 4.340 -19.133 0.000 0.280 484 L C -1.243 175.625 176.870 -0.003 0.000 1.004 484 L CA -0.489 54.360 54.840 0.016 0.000 0.820 484 L CB 1.403 43.384 42.059 -0.129 0.000 1.247 484 L HN 0.473 nan 8.230 nan 0.000 0.416 485 V N 4.122 124.032 119.914 -0.007 0.000 2.735 485 V HA 1.007 -6.353 4.120 -19.133 0.000 0.310 485 V C -0.283 175.769 176.094 -0.070 0.000 1.061 485 V CA -0.171 62.093 62.300 -0.061 0.000 0.913 485 V CB 1.419 33.258 31.823 0.027 0.000 1.005 485 V HN 1.003 nan 8.190 nan 0.000 0.428 486 A N 2.670 125.392 122.820 -0.162 0.000 2.612 486 A HA 0.834 -6.326 4.320 -19.133 0.000 0.293 486 A C -0.748 176.795 177.584 -0.067 0.000 1.075 486 A CA -0.545 51.460 52.037 -0.054 0.000 0.680 486 A CB 1.906 20.901 19.000 -0.009 0.000 1.279 486 A HN 0.642 nan 8.150 nan 0.000 0.411 487 S N -0.030 115.721 115.700 0.086 0.000 2.489 487 S HA 0.706 -6.304 4.470 -19.133 0.000 0.291 487 S C -0.087 174.590 174.600 0.128 0.000 1.151 487 S CA -0.175 58.110 58.200 0.143 0.000 1.082 487 S CB 1.234 64.558 63.200 0.207 0.000 1.019 487 S HN 1.816 nan 8.310 nan 0.000 0.492 488 V N 0.530 120.520 119.914 0.127 0.000 3.007 488 V HA 0.918 -6.442 4.120 -19.133 0.000 0.311 488 V C -0.726 175.417 176.094 0.082 0.000 1.120 488 V CA -0.556 61.799 62.300 0.093 0.000 0.980 488 V CB 2.013 33.868 31.823 0.053 0.000 1.033 488 V HN 0.705 nan 8.190 nan 0.000 0.429 489 T N 4.110 118.638 114.554 -0.043 0.000 2.991 489 T HA 0.628 -6.502 4.350 -19.133 0.000 0.303 489 T C -0.616 173.806 174.700 -0.464 0.000 1.015 489 T CA -0.139 61.868 62.100 -0.156 0.000 1.007 489 T CB 1.279 70.065 68.868 -0.138 0.000 1.034 489 T HN 0.720 nan 8.240 nan 0.000 0.446 490 I N 3.380 123.684 120.570 -0.443 0.000 2.331 490 I HA 0.299 -7.010 4.170 -19.133 0.000 0.292 490 I C 0.975 176.862 176.117 -0.383 0.000 0.998 490 I CA -0.634 60.312 61.300 -0.590 0.000 1.267 490 I CB 1.024 38.471 38.000 -0.922 0.000 1.386 490 I HN 0.757 nan 8.210 nan 0.000 0.476 491 H N 4.137 123.194 119.070 -0.021 0.000 2.654 491 H HA 0.270 -6.654 4.556 -19.133 0.000 0.264 491 H C 0.014 175.396 175.328 0.090 0.000 0.954 491 H CA 0.241 56.319 56.048 0.050 0.000 1.199 491 H CB 0.782 30.568 29.762 0.039 0.000 1.446 491 H HN 0.583 nan 8.280 nan 0.000 0.516 492 E N 0.867 121.185 120.200 0.197 0.000 2.308 492 E HA 0.300 -6.830 4.350 -19.133 0.000 0.275 492 E C -1.139 175.605 176.600 0.241 0.000 0.890 492 E CA -0.544 55.976 56.400 0.200 0.000 0.754 492 E CB 2.665 32.467 29.700 0.170 0.000 1.207 492 E HN -0.199 nan 8.360 nan 0.000 0.426 493 V N 5.526 125.580 119.914 0.232 0.000 2.529 493 V HA 0.183 -7.176 4.120 -19.133 0.000 0.292 493 V C -1.775 174.419 176.094 0.166 0.000 1.028 493 V CA -0.798 61.636 62.300 0.223 0.000 1.074 493 V CB 0.422 32.279 31.823 0.056 0.000 0.958 493 V HN 0.638 nan 8.190 nan 0.000 0.481 494 P HA 0.291 nan 4.420 nan 0.000 0.276 494 P C 0.387 177.697 177.300 0.017 0.000 1.252 494 P CA -0.627 62.508 63.100 0.059 0.000 0.802 494 P CB 1.224 32.872 31.700 -0.086 0.000 1.035 495 K N -0.075 120.327 120.400 0.002 0.000 2.155 495 K HA 0.016 -7.143 4.320 -19.133 0.000 0.203 495 K C 1.414 178.005 176.600 -0.015 0.000 1.052 495 K CA 1.663 57.950 56.287 -0.001 0.000 0.948 495 K CB -0.197 32.305 32.500 0.003 0.000 0.728 495 K HN 0.684 nan 8.250 nan 0.000 0.448 496 G N -0.237 108.540 108.800 -0.038 0.000 3.009 496 G HA2 0.504 -7.016 3.960 -19.133 0.000 0.193 496 G HA3 0.504 -7.016 3.960 -19.133 0.000 0.193 496 G C -1.416 173.440 174.900 -0.074 0.000 1.636 496 G CA 0.118 45.193 45.100 -0.041 0.000 0.832 496 G HN 0.204 nan 8.290 nan 0.000 0.795 497 A N -0.240 122.523 122.820 -0.095 0.000 2.343 497 A HA 0.813 -6.347 4.320 -19.133 0.000 0.316 497 A C -0.624 176.817 177.584 -0.238 0.000 1.104 497 A CA -0.267 51.675 52.037 -0.157 0.000 0.768 497 A CB 1.673 20.630 19.000 -0.071 0.000 1.213 497 A HN 0.648 nan 8.150 nan 0.000 0.456 498 S N 2.854 118.252 115.700 -0.503 0.000 2.542 498 S HA 0.789 -6.220 4.470 -19.133 0.000 0.293 498 S C -2.894 171.428 174.600 -0.463 0.000 1.089 498 S CA -1.155 56.741 58.200 -0.507 0.000 0.961 498 S CB 2.054 64.876 63.200 -0.631 0.000 1.062 498 S HN 0.666 nan 8.310 nan 0.000 0.483 499 P HA 0.310 nan 4.420 nan 0.000 0.278 499 P C -0.094 177.238 177.300 0.054 0.000 1.238 499 P CA -0.438 62.534 63.100 -0.213 0.000 0.794 499 P CB 1.173 32.405 31.700 -0.781 0.000 0.955 500 L N 1.222 122.556 121.223 0.186 0.000 2.586 500 L HA 0.352 -6.788 4.340 -19.133 0.000 0.204 500 L C 0.030 176.941 176.870 0.069 0.000 1.053 500 L CA 0.282 55.218 54.840 0.160 0.000 0.856 500 L CB 0.505 42.666 42.059 0.170 0.000 1.192 500 L HN 0.273 nan 8.230 nan 0.000 0.484 501 L N -0.694 120.535 121.223 0.011 0.000 2.591 501 L HA 0.730 -6.410 4.340 -19.133 0.000 0.257 501 L C -1.003 175.578 176.870 -0.482 0.000 0.935 501 L CA 0.144 54.851 54.840 -0.221 0.000 0.873 501 L CB 1.949 43.934 42.059 -0.124 0.000 1.397 501 L HN 0.063 nan 8.230 nan 0.000 0.414 502 G N 2.021 110.253 108.800 -0.947 0.000 2.356 502 G HA2 0.686 -6.834 3.960 -19.133 0.000 0.294 502 G HA3 0.686 -6.834 3.960 -19.133 0.000 0.294 502 G C -2.109 172.492 174.900 -0.497 0.000 1.423 502 G CA -0.143 44.531 45.100 -0.710 0.000 0.806 502 G HN 0.954 nan 8.290 nan 0.000 0.527 503 A N 0.013 122.788 122.820 -0.074 0.000 2.271 503 A HA 0.811 -6.349 4.320 -19.133 0.000 0.317 503 A C 0.196 177.749 177.584 -0.052 0.000 1.245 503 A CA 0.060 52.031 52.037 -0.109 0.000 0.857 503 A CB 1.274 20.217 19.000 -0.096 0.000 1.175 503 A HN 1.625 nan 8.150 nan 0.000 0.512 504 S N 2.054 117.637 115.700 -0.194 0.000 2.489 504 S HA 0.503 -6.507 4.470 -19.133 0.000 0.291 504 S C 0.847 175.293 174.600 -0.256 0.000 1.151 504 S CA -0.674 57.414 58.200 -0.187 0.000 1.082 504 S CB 0.452 63.386 63.200 -0.443 0.000 1.019 504 S HN 0.589 nan 8.310 nan 0.000 0.492 505 L N 2.651 123.788 121.223 -0.143 0.000 2.341 505 L HA 0.202 -6.938 4.340 -19.133 0.000 0.214 505 L C 0.855 177.666 176.870 -0.098 0.000 1.115 505 L CA 0.323 55.089 54.840 -0.125 0.000 0.820 505 L CB -0.152 41.859 42.059 -0.081 0.000 0.944 505 L HN 0.694 nan 8.230 nan 0.000 0.452 506 D N -2.067 118.286 120.400 -0.079 0.000 2.553 506 D HA 0.090 -6.750 4.640 -19.133 0.000 0.249 506 D C 0.862 177.193 176.300 0.051 0.000 1.062 506 D CA 0.124 54.105 54.000 -0.031 0.000 1.085 506 D CB 1.175 41.950 40.800 -0.042 0.000 1.350 506 D HN -0.103 nan 8.370 nan 0.000 0.575 507 S N -0.474 115.262 115.700 0.059 0.000 2.423 507 S HA -0.172 -7.181 4.470 -19.133 0.000 0.231 507 S C 1.870 176.538 174.600 0.113 0.000 1.014 507 S CA 1.400 59.667 58.200 0.111 0.000 0.965 507 S CB -0.753 62.455 63.200 0.014 0.000 0.785 507 S HN 0.594 nan 8.310 nan 0.000 0.495 508 S N 1.037 116.741 115.700 0.007 0.000 2.414 508 S HA 0.356 -6.653 4.470 -19.133 0.000 0.227 508 S C 1.870 176.358 174.600 -0.187 0.000 1.022 508 S CA 0.957 59.097 58.200 -0.099 0.000 0.958 508 S CB -0.849 62.256 63.200 -0.158 0.000 0.797 508 S HN 1.492 nan 8.310 nan 0.000 0.493 509 G N 0.025 108.740 108.800 -0.141 0.000 2.195 509 G HA2 -0.158 -7.677 3.960 -19.133 0.000 0.224 509 G HA3 -0.158 -7.677 3.960 -19.133 0.000 0.224 509 G C 0.951 175.616 174.900 -0.391 0.000 0.990 509 G CA 0.129 45.044 45.100 -0.309 0.000 0.639 509 G HN 1.037 nan 8.290 nan 0.000 0.514 510 G N -0.215 108.384 108.800 -0.335 0.000 2.511 510 G HA2 0.217 -7.303 3.960 -19.133 0.000 0.217 510 G HA3 0.217 -7.303 3.960 -19.133 0.000 0.217 510 G C 0.766 175.592 174.900 -0.123 0.000 1.133 510 G CA 0.867 45.819 45.100 -0.248 0.000 0.792 510 G HN 0.356 nan 8.290 nan 0.000 0.539 511 K N 1.563 121.905 120.400 -0.097 0.000 2.347 511 K HA 0.352 -6.808 4.320 -19.133 0.000 0.262 511 K C -0.347 176.233 176.600 -0.034 0.000 1.052 511 K CA -0.115 56.140 56.287 -0.054 0.000 0.946 511 K CB 1.349 33.817 32.500 -0.052 0.000 1.220 511 K HN 0.217 nan 8.250 nan 0.000 0.450 512 K N 2.013 122.415 120.400 0.004 0.000 2.098 512 K HA 0.239 -6.920 4.320 -19.133 0.000 0.258 512 K C 1.062 177.685 176.600 0.039 0.000 0.973 512 K CA -0.654 55.663 56.287 0.051 0.000 0.898 512 K CB 1.551 34.119 32.500 0.114 0.000 1.057 512 K HN 0.141 nan 8.250 nan 0.000 0.447 513 L N 2.278 123.528 121.223 0.044 0.000 2.130 513 L HA 0.255 -6.885 4.340 -19.133 0.000 0.200 513 L C -0.392 176.538 176.870 0.099 0.000 1.075 513 L CA 1.329 56.204 54.840 0.059 0.000 0.768 513 L CB 0.239 42.330 42.059 0.053 0.000 0.933 513 L HN 0.555 nan 8.230 nan 0.000 0.451 514 L N -0.279 121.017 121.223 0.121 0.000 2.588 514 L HA 0.741 -6.398 4.340 -19.133 0.000 0.263 514 L C -0.755 176.161 176.870 0.077 0.000 0.935 514 L CA 0.422 55.318 54.840 0.094 0.000 0.891 514 L CB 1.377 43.541 42.059 0.174 0.000 1.318 514 L HN 0.149 nan 8.230 nan 0.000 0.409 515 G N 3.039 111.836 108.800 -0.004 0.000 2.684 515 G HA2 0.632 -6.888 3.960 -19.133 0.000 0.290 515 G HA3 0.632 -6.888 3.960 -19.133 0.000 0.290 515 G C -2.574 172.306 174.900 -0.033 0.000 1.425 515 G CA -0.699 44.422 45.100 0.035 0.000 0.822 515 G HN 0.742 nan 8.290 nan 0.000 0.482 516 L N 0.555 121.786 121.223 0.013 0.000 2.381 516 L HA 0.827 -6.312 4.340 -19.133 0.000 0.274 516 L C -0.159 176.789 176.870 0.130 0.000 0.988 516 L CA -0.263 54.589 54.840 0.019 0.000 0.824 516 L CB 1.839 43.858 42.059 -0.067 0.000 1.263 516 L HN 0.531 nan 8.230 nan 0.000 0.410 517 S N 2.751 118.546 115.700 0.158 0.000 2.726 517 S HA 0.808 -6.202 4.470 -19.133 0.000 0.308 517 S C -1.468 173.306 174.600 0.291 0.000 1.115 517 S CA -0.331 57.964 58.200 0.157 0.000 0.965 517 S CB 1.608 64.824 63.200 0.027 0.000 1.145 517 S HN 0.575 nan 8.310 nan 0.000 0.532 518 Y N -0.411 119.927 120.300 0.062 0.000 2.553 518 Y HA 0.809 -6.122 4.550 -19.134 0.000 0.347 518 Y C -0.989 174.975 175.900 0.106 0.000 1.019 518 Y CA -1.234 56.892 58.100 0.043 0.000 1.032 518 Y CB 0.886 39.097 38.460 -0.415 0.000 1.284 518 Y HN 0.671 nan 8.280 nan 0.000 0.466 519 D N 0.030 120.585 120.400 0.259 0.000 2.687 519 D HA 0.235 -6.605 4.640 -19.133 0.000 0.264 519 D C 0.233 176.591 176.300 0.096 0.000 1.091 519 D CA -1.026 53.026 54.000 0.086 0.000 1.123 519 D CB 1.319 42.145 40.800 0.043 0.000 1.407 519 D HN 0.715 nan 8.370 nan 0.000 0.591 520 K N -0.704 119.694 120.400 -0.003 0.000 2.439 520 K HA 0.025 -7.135 4.320 -19.133 0.000 0.197 520 K C 0.768 177.308 176.600 -0.099 0.000 1.041 520 K CA 0.518 56.775 56.287 -0.051 0.000 0.970 520 K CB -0.018 32.468 32.500 -0.023 0.000 0.773 520 K HN 0.224 nan 8.250 nan 0.000 0.479 521 R N 0.393 120.846 120.500 -0.079 0.000 2.515 521 R HA 0.117 -7.022 4.340 -19.133 0.000 0.294 521 R C -0.695 175.524 176.300 -0.136 0.000 1.021 521 R CA -0.154 55.911 56.100 -0.058 0.000 1.081 521 R CB -0.287 29.993 30.300 -0.034 0.000 1.263 521 R HN 0.366 nan 8.270 nan 0.000 0.557 522 H N -0.641 118.155 119.070 -0.457 0.000 2.899 522 H HA -0.194 -7.117 4.556 -19.133 0.000 0.282 522 H C -0.488 174.196 175.328 -1.073 0.000 1.198 522 H CA 0.863 56.190 56.048 -1.202 0.000 1.140 522 H CB -1.221 27.888 29.762 -1.090 0.000 1.317 522 H HN 0.359 nan 8.280 nan 0.000 0.375 523 Q N -0.709 118.927 119.800 -0.274 0.000 2.257 523 Q HA 0.304 -6.836 4.340 -19.133 0.000 0.262 523 Q C -0.113 176.001 176.000 0.190 0.000 0.997 523 Q CA -0.915 54.837 55.803 -0.085 0.000 0.873 523 Q CB 1.465 30.211 28.738 0.013 0.000 1.312 523 Q HN 0.302 nan 8.270 nan 0.000 0.450 524 W N 1.100 122.593 121.300 0.322 0.000 2.184 524 W HA 0.180 -6.639 4.660 -19.132 0.000 0.338 524 W C 0.279 176.872 176.519 0.123 0.000 1.257 524 W CA -0.265 57.207 57.345 0.212 0.000 1.243 524 W CB 0.668 30.192 29.460 0.107 0.000 1.122 524 W HN 0.297 nan 8.180 nan 0.000 0.585 525 Q N 3.596 123.612 119.800 0.360 0.000 2.674 525 Q HA 0.212 -6.928 4.340 -19.133 0.000 0.249 525 Q C -2.322 173.733 176.000 0.092 0.000 1.011 525 Q CA -1.923 53.988 55.803 0.180 0.000 0.734 525 Q CB 1.547 30.356 28.738 0.119 0.000 1.201 525 Q HN 0.011 nan 8.270 nan 0.000 0.498 526 P HA 0.239 nan 4.420 nan 0.000 0.279 526 P C -0.522 176.559 177.300 -0.364 0.000 1.239 526 P CA -0.086 62.884 63.100 -0.216 0.000 0.789 526 P CB 1.197 32.741 31.700 -0.260 0.000 0.933 527 I N 3.372 123.671 120.570 -0.451 0.000 2.418 527 I HA 0.293 -7.017 4.170 -19.133 0.000 0.287 527 I C -0.494 175.370 176.117 -0.421 0.000 1.008 527 I CA -0.787 60.335 61.300 -0.298 0.000 1.104 527 I CB 1.251 39.208 38.000 -0.072 0.000 1.264 527 I HN 0.260 nan 8.210 nan 0.000 0.438 528 Y N 5.053 125.377 120.300 0.040 0.000 2.478 528 Y HA 0.542 -6.388 4.550 -19.134 0.000 0.329 528 Y C 1.167 177.081 175.900 0.024 0.000 0.967 528 Y CA -0.285 57.831 58.100 0.026 0.000 1.255 528 Y CB 1.247 39.711 38.460 0.008 0.000 1.103 528 Y HN 0.881 nan 8.280 nan 0.000 0.497 529 G N 1.851 110.728 108.800 0.128 0.000 2.634 529 G HA2 -0.392 -7.912 3.960 -19.133 0.000 0.309 529 G HA3 -0.392 -7.912 3.960 -19.133 0.000 0.309 529 G C 0.992 175.929 174.900 0.061 0.000 1.265 529 G CA 0.711 45.859 45.100 0.080 0.000 0.998 529 G HN 0.942 nan 8.290 nan 0.000 0.551 530 S N -0.749 114.980 115.700 0.049 0.000 2.572 530 S HA 0.452 -6.558 4.470 -19.133 0.000 0.228 530 S C 0.751 175.378 174.600 0.045 0.000 0.963 530 S CA 1.011 59.232 58.200 0.035 0.000 0.939 530 S CB 0.289 63.499 63.200 0.018 0.000 0.804 530 S HN 0.870 nan 8.310 nan 0.000 0.480 531 T N 5.160 119.757 114.554 0.071 0.000 2.940 531 T HA 0.254 -6.876 4.350 -19.133 0.000 0.309 531 T C -2.392 172.355 174.700 0.078 0.000 1.056 531 T CA -0.475 61.672 62.100 0.078 0.000 1.137 531 T CB 0.128 69.066 68.868 0.116 0.000 0.976 531 T HN 0.210 nan 8.240 nan 0.000 0.547 532 P HA 0.059 nan 4.420 nan 0.000 0.263 532 P C -0.778 176.570 177.300 0.080 0.000 1.175 532 P CA -0.118 63.016 63.100 0.056 0.000 0.761 532 P CB 0.275 32.001 31.700 0.042 0.000 0.794 533 V N 4.164 124.120 119.914 0.069 0.000 2.461 533 V HA 0.167 -7.193 4.120 -19.133 0.000 0.275 533 V C 0.577 176.719 176.094 0.080 0.000 1.047 533 V CA 0.247 62.595 62.300 0.079 0.000 0.955 533 V CB 0.912 32.768 31.823 0.055 0.000 0.988 533 V HN 0.516 nan 8.190 nan 0.000 0.471 534 T N 7.843 122.460 114.554 0.105 0.000 2.770 534 T HA 0.402 -6.727 4.350 -19.133 0.000 0.297 534 T C -2.435 172.328 174.700 0.106 0.000 0.997 534 T CA -1.024 61.131 62.100 0.093 0.000 0.949 534 T CB 1.452 70.375 68.868 0.092 0.000 0.941 534 T HN 0.452 nan 8.240 nan 0.000 0.457 535 P HA 0.409 nan 4.420 nan 0.000 0.269 535 P C -0.263 177.109 177.300 0.119 0.000 1.215 535 P CA -0.178 62.989 63.100 0.112 0.000 0.780 535 P CB 0.664 32.413 31.700 0.082 0.000 0.898 536 T N -0.036 114.617 114.554 0.163 0.000 2.830 536 T HA 0.570 -6.560 4.350 -19.133 0.000 0.322 536 T C -0.206 174.625 174.700 0.219 0.000 1.501 536 T CA 0.505 62.699 62.100 0.157 0.000 1.036 536 T CB 0.587 69.545 68.868 0.149 0.000 1.379 536 T HN 0.767 nan 8.240 nan 0.000 0.493 537 G N 2.014 110.917 108.800 0.172 0.000 2.645 537 G HA2 0.193 -7.327 3.960 -19.133 0.000 0.246 537 G HA3 0.193 -7.327 3.960 -19.133 0.000 0.246 537 G C -0.169 174.782 174.900 0.084 0.000 1.322 537 G CA 0.462 45.683 45.100 0.202 0.000 0.898 537 G HN 2.271 nan 8.290 nan 0.000 0.573 538 S N -0.755 114.978 115.700 0.055 0.000 2.543 538 S HA 0.753 -6.256 4.470 -19.133 0.000 0.274 538 S C -0.801 173.697 174.600 -0.170 0.000 1.149 538 S CA 0.167 58.256 58.200 -0.184 0.000 0.866 538 S CB 1.720 64.834 63.200 -0.144 0.000 1.111 538 S HN 2.245 nan 8.310 nan 0.000 0.457 539 W N 1.397 122.453 121.300 -0.406 0.000 2.975 539 W HA 0.794 -6.025 4.660 -19.131 0.000 0.342 539 W C -1.089 175.439 176.519 0.014 0.000 1.168 539 W CA -0.688 56.456 57.345 -0.335 0.000 1.141 539 W CB 1.005 29.823 29.460 -1.071 0.000 1.445 539 W HN 1.042 nan 8.180 nan 0.000 0.560 540 E N 2.241 122.775 120.200 0.557 0.000 2.199 540 E HA 0.434 -6.696 4.350 -19.133 0.000 0.269 540 E C -0.921 176.042 176.600 0.605 0.000 0.899 540 E CA -0.910 55.714 56.400 0.374 0.000 0.772 540 E CB 2.565 32.394 29.700 0.216 0.000 1.155 540 E HN 0.513 nan 8.360 nan 0.000 0.408 541 M N 3.587 123.496 119.600 0.515 0.000 2.252 541 M HA 0.148 -6.852 4.480 -19.133 0.000 0.348 541 M C 0.868 177.332 176.300 0.273 0.000 1.334 541 M CA 2.083 57.660 55.300 0.461 0.000 1.071 541 M CB 0.035 32.868 32.600 0.389 0.000 1.763 541 M HN 1.037 nan 8.290 nan 0.000 0.452 542 G N 3.362 112.282 108.800 0.201 0.000 2.179 542 G HA2 -0.290 -7.810 3.960 -19.133 0.000 0.260 542 G HA3 -0.290 -7.810 3.960 -19.133 0.000 0.260 542 G C 0.026 174.983 174.900 0.094 0.000 0.977 542 G CA 0.543 45.732 45.100 0.148 0.000 0.641 542 G HN 0.691 nan 8.290 nan 0.000 0.533 543 K N 0.633 121.092 120.400 0.098 0.000 2.172 543 K HA 0.577 -6.583 4.320 -19.133 0.000 0.276 543 K C 0.785 177.259 176.600 -0.210 0.000 1.013 543 K CA -0.906 55.344 56.287 -0.062 0.000 0.913 543 K CB 0.486 32.933 32.500 -0.087 0.000 1.055 543 K HN 0.403 nan 8.250 nan 0.000 0.461 544 R N 2.551 122.914 120.500 -0.228 0.000 2.410 544 R HA 0.247 -6.893 4.340 -19.133 0.000 0.288 544 R C -1.536 174.567 176.300 -0.327 0.000 1.051 544 R CA 0.120 56.129 56.100 -0.151 0.000 1.021 544 R CB 0.466 30.761 30.300 -0.008 0.000 1.032 544 R HN 0.451 nan 8.270 nan 0.000 0.481 545 Y N 0.333 120.740 120.300 0.180 0.000 2.570 545 Y HA 0.341 -6.589 4.550 -19.133 0.000 0.345 545 Y C -0.465 175.548 175.900 0.188 0.000 1.014 545 Y CA -1.024 57.201 58.100 0.208 0.000 1.063 545 Y CB 2.004 40.606 38.460 0.237 0.000 1.272 545 Y HN 0.756 nan 8.280 nan 0.000 0.477 546 H N 0.694 119.915 119.070 0.252 0.000 2.476 546 H HA 0.722 -6.201 4.556 -19.133 0.000 0.328 546 H C -1.612 173.736 175.328 0.034 0.000 1.073 546 H CA -0.554 55.596 56.048 0.170 0.000 1.229 546 H CB 0.959 30.907 29.762 0.311 0.000 1.432 546 H HN 0.420 nan 8.280 nan 0.000 0.477 547 V N 6.275 125.971 119.914 -0.364 0.000 2.555 547 V HA 0.406 -6.954 4.120 -19.133 0.000 0.302 547 V C -0.726 175.185 176.094 -0.305 0.000 1.038 547 V CA -0.794 61.333 62.300 -0.288 0.000 0.887 547 V CB 1.783 33.461 31.823 -0.241 0.000 0.991 547 V HN 0.609 nan 8.190 nan 0.000 0.434 548 V N 5.937 125.771 119.914 -0.133 0.000 2.531 548 V HA 0.529 -6.831 4.120 -19.133 0.000 0.301 548 V C -0.551 175.575 176.094 0.054 0.000 1.034 548 V CA -0.506 61.754 62.300 -0.067 0.000 0.865 548 V CB 1.924 33.674 31.823 -0.122 0.000 0.995 548 V HN 0.645 nan 8.190 nan 0.000 0.424 549 L N 4.798 126.043 121.223 0.036 0.000 2.313 549 L HA 0.789 -6.351 4.340 -19.133 0.000 0.283 549 L C 0.152 177.023 176.870 0.002 0.000 1.013 549 L CA -0.300 54.583 54.840 0.072 0.000 0.816 549 L CB 2.140 44.278 42.059 0.133 0.000 1.236 549 L HN 0.814 nan 8.230 nan 0.000 0.419 550 T N 0.689 115.207 114.554 -0.059 0.000 2.907 550 T HA 0.723 -6.407 4.350 -19.133 0.000 0.292 550 T C -0.595 173.862 174.700 -0.404 0.000 1.043 550 T CA -0.770 61.172 62.100 -0.263 0.000 1.003 550 T CB 2.534 71.344 68.868 -0.098 0.000 1.084 550 T HN 0.444 nan 8.240 nan 0.000 0.483 551 M N 2.202 121.403 119.600 -0.665 0.000 2.271 551 M HA 0.706 -6.294 4.480 -19.133 0.000 0.285 551 M C -1.929 174.202 176.300 -0.280 0.000 1.059 551 M CA -0.399 54.626 55.300 -0.459 0.000 0.940 551 M CB 1.435 33.682 32.600 -0.589 0.000 1.636 551 M HN 1.249 nan 8.290 nan 0.000 0.460 552 A N 3.907 126.646 122.820 -0.136 0.000 2.604 552 A HA 0.653 -6.507 4.320 -19.133 0.000 0.295 552 A C -0.264 177.299 177.584 -0.036 0.000 1.067 552 A CA -0.484 51.515 52.037 -0.064 0.000 0.683 552 A CB 1.055 20.022 19.000 -0.055 0.000 1.281 552 A HN 0.924 nan 8.150 nan 0.000 0.407 553 N N 1.015 119.712 118.700 -0.006 0.000 2.721 553 N HA -0.190 -6.930 4.740 -19.133 0.000 0.249 553 N C -0.020 175.484 175.510 -0.010 0.000 1.072 553 N CA 1.406 54.456 53.050 0.000 0.000 0.710 553 N CB -1.066 37.416 38.487 -0.008 0.000 0.993 553 N HN 0.923 nan 8.380 nan 0.000 0.547 554 K N -2.255 118.138 120.400 -0.012 0.000 3.407 554 K HA -0.199 -7.358 4.320 -19.133 0.000 0.312 554 K C -0.092 176.496 176.600 -0.020 0.000 1.302 554 K CA 1.226 57.504 56.287 -0.015 0.000 0.931 554 K CB -1.218 31.276 32.500 -0.010 0.000 1.257 554 K HN 0.505 nan 8.250 nan 0.000 0.454 555 I N 0.683 121.234 120.570 -0.032 0.000 2.433 555 I HA 0.354 -6.956 4.170 -19.133 0.000 0.292 555 I C 0.766 176.861 176.117 -0.037 0.000 1.001 555 I CA -0.762 60.515 61.300 -0.039 0.000 1.119 555 I CB 1.941 39.909 38.000 -0.052 0.000 1.289 555 I HN 0.083 nan 8.210 nan 0.000 0.438 556 G N 3.468 112.275 108.800 0.011 0.000 2.379 556 G HA2 0.679 -6.841 3.960 -19.133 0.000 0.327 556 G HA3 0.679 -6.841 3.960 -19.133 0.000 0.327 556 G C -0.935 174.033 174.900 0.113 0.000 1.145 556 G CA -0.294 44.847 45.100 0.068 0.000 0.905 556 G HN 0.552 nan 8.290 nan 0.000 0.466 557 S N -0.564 115.183 115.700 0.078 0.000 2.570 557 S HA 0.719 -6.291 4.470 -19.133 0.000 0.286 557 S C -0.779 173.845 174.600 0.039 0.000 1.099 557 S CA -0.634 57.589 58.200 0.037 0.000 0.913 557 S CB 2.222 65.372 63.200 -0.083 0.000 1.085 557 S HN 0.570 nan 8.310 nan 0.000 0.480 558 V N 2.510 122.378 119.914 -0.076 0.000 2.577 558 V HA 0.488 -6.872 4.120 -19.133 0.000 0.303 558 V C -1.764 174.184 176.094 -0.242 0.000 1.042 558 V CA -0.645 61.606 62.300 -0.082 0.000 0.872 558 V CB 0.980 32.744 31.823 -0.099 0.000 0.998 558 V HN 0.865 nan 8.190 nan 0.000 0.423 559 Y N 4.453 124.670 120.300 -0.137 0.000 2.393 559 Y HA 0.683 -6.247 4.550 -19.133 0.000 0.341 559 Y C -0.060 175.705 175.900 -0.227 0.000 0.988 559 Y CA -1.224 56.787 58.100 -0.148 0.000 1.078 559 Y CB 1.830 40.230 38.460 -0.100 0.000 1.203 559 Y HN 0.341 nan 8.280 nan 0.000 0.453 560 I N 3.289 123.794 120.570 -0.107 0.000 2.418 560 I HA 0.200 -7.110 4.170 -19.133 0.000 0.287 560 I C -0.499 175.542 176.117 -0.127 0.000 1.008 560 I CA -0.918 60.265 61.300 -0.195 0.000 1.104 560 I CB 1.461 39.238 38.000 -0.371 0.000 1.264 560 I HN 0.731 nan 8.210 nan 0.000 0.438 561 D N 5.281 125.583 120.400 -0.163 0.000 2.708 561 D HA -0.184 -7.023 4.640 -19.133 0.000 0.236 561 D C 1.261 176.917 176.300 -1.073 0.000 1.146 561 D CA 1.637 55.191 54.000 -0.743 0.000 0.662 561 D CB -0.991 39.547 40.800 -0.437 0.000 1.059 561 D HN 1.140 nan 8.370 nan 0.000 0.428 562 G N -1.206 107.310 108.800 -0.475 0.000 2.179 562 G HA2 -0.316 -7.835 3.960 -19.133 0.000 0.260 562 G HA3 -0.316 -7.835 3.960 -19.133 0.000 0.260 562 G C -0.054 174.863 174.900 0.028 0.000 0.977 562 G CA 0.475 45.451 45.100 -0.208 0.000 0.641 562 G HN 0.393 nan 8.290 nan 0.000 0.533 563 E N 1.006 121.224 120.200 0.030 0.000 2.210 563 E HA 0.437 -6.693 4.350 -19.133 0.000 0.266 563 E C -2.536 174.061 176.600 -0.005 0.000 0.883 563 E CA -2.039 54.403 56.400 0.070 0.000 0.761 563 E CB 2.397 32.092 29.700 -0.007 0.000 1.156 563 E HN 0.187 nan 8.360 nan 0.000 0.412 564 P HA 0.078 nan 4.420 nan 0.000 0.268 564 P C 0.178 177.349 177.300 -0.216 0.000 1.205 564 P CA -0.063 62.767 63.100 -0.451 0.000 0.771 564 P CB 0.825 32.249 31.700 -0.459 0.000 0.858 565 L N 1.371 122.475 121.223 -0.199 0.000 2.473 565 L HA 0.108 -7.032 4.340 -19.133 0.000 0.268 565 L C 1.422 178.261 176.870 -0.052 0.000 1.215 565 L CA -0.212 54.581 54.840 -0.078 0.000 0.823 565 L CB -0.079 41.958 42.059 -0.037 0.000 1.099 565 L HN 0.473 nan 8.230 nan 0.000 0.483 566 E N 0.998 121.197 120.200 -0.002 0.000 2.415 566 E HA 0.129 -7.001 4.350 -19.133 0.000 0.263 566 E C 0.899 177.497 176.600 -0.003 0.000 0.995 566 E CA 0.746 57.144 56.400 -0.004 0.000 0.915 566 E CB 0.348 30.061 29.700 0.022 0.000 0.951 566 E HN 0.740 nan 8.360 nan 0.000 0.449 567 G N 3.006 111.781 108.800 -0.041 0.000 2.148 567 G HA2 -0.306 -7.826 3.960 -19.133 0.000 0.254 567 G HA3 -0.306 -7.826 3.960 -19.133 0.000 0.254 567 G C 0.335 175.147 174.900 -0.146 0.000 0.981 567 G CA 0.406 45.464 45.100 -0.070 0.000 0.670 567 G HN 0.620 nan 8.290 nan 0.000 0.528 568 S N -0.745 114.878 115.700 -0.128 0.000 2.641 568 S HA 0.586 -6.424 4.470 -19.133 0.000 0.261 568 S C 1.398 175.840 174.600 -0.264 0.000 1.257 568 S CA 1.286 59.381 58.200 -0.175 0.000 0.983 568 S CB 0.672 63.809 63.200 -0.106 0.000 0.990 568 S HN 2.190 nan 8.310 nan 0.000 0.572 569 G N 1.739 110.384 108.800 -0.257 0.000 2.452 569 G HA2 -0.116 -7.636 3.960 -19.133 0.000 0.275 569 G HA3 -0.116 -7.636 3.960 -19.133 0.000 0.275 569 G C -0.500 174.236 174.900 -0.272 0.000 1.131 569 G CA -0.300 44.676 45.100 -0.207 0.000 1.031 569 G HN 0.500 nan 8.290 nan 0.000 0.511 570 Q N -0.303 119.255 119.800 -0.403 0.000 2.297 570 Q HA 0.593 -6.547 4.340 -19.133 0.000 0.268 570 Q C 0.396 176.298 176.000 -0.164 0.000 1.045 570 Q CA -0.493 55.085 55.803 -0.374 0.000 0.861 570 Q CB 1.411 29.724 28.738 -0.709 0.000 1.344 570 Q HN 0.253 nan 8.270 nan 0.000 0.452 571 T N 1.246 115.740 114.554 -0.101 0.000 2.799 571 T HA 0.169 -6.961 4.350 -19.133 0.000 0.296 571 T C 1.156 175.863 174.700 0.012 0.000 0.947 571 T CA -0.019 62.059 62.100 -0.037 0.000 1.141 571 T CB 0.139 68.988 68.868 -0.032 0.000 0.891 571 T HN 0.485 nan 8.240 nan 0.000 0.533 572 V N 1.636 121.570 119.914 0.033 0.000 3.605 572 V HA 0.373 -6.987 4.120 -19.133 0.000 0.284 572 V C 0.282 176.396 176.094 0.033 0.000 1.386 572 V CA -0.161 62.179 62.300 0.066 0.000 1.053 572 V CB 0.256 32.143 31.823 0.106 0.000 0.857 572 V HN 0.500 nan 8.190 nan 0.000 0.436 573 V N 3.291 123.211 119.914 0.011 0.000 2.304 573 V HA 0.433 -6.927 4.120 -19.133 0.000 0.278 573 V C -1.328 174.763 176.094 -0.004 0.000 1.018 573 V CA -0.814 61.483 62.300 -0.005 0.000 0.814 573 V CB 1.282 33.093 31.823 -0.019 0.000 1.021 573 V HN 0.275 nan 8.190 nan 0.000 0.440 574 P HA 0.060 nan 4.420 nan 0.000 0.231 574 P C -0.099 177.199 177.300 -0.004 0.000 1.168 574 P CA 0.808 63.907 63.100 -0.001 0.000 0.779 574 P CB 0.410 32.111 31.700 0.001 0.000 0.844 575 D N -2.181 118.216 120.400 -0.005 0.000 3.009 575 D HA 0.113 -6.727 4.640 -19.133 0.000 0.318 575 D C 0.750 177.049 176.300 -0.002 0.000 1.273 575 D CA -0.699 53.299 54.000 -0.003 0.000 1.001 575 D CB -0.076 40.723 40.800 -0.003 0.000 1.411 575 D HN -0.274 nan 8.370 nan 0.000 0.577 576 E N -0.789 119.413 120.200 0.002 0.000 2.338 576 E HA -0.008 -7.138 4.350 -19.133 0.000 0.197 576 E C 0.101 176.705 176.600 0.006 0.000 1.007 576 E CA 0.477 56.881 56.400 0.008 0.000 0.849 576 E CB -0.059 29.647 29.700 0.011 0.000 0.774 576 E HN 0.148 nan 8.360 nan 0.000 0.506 577 R N 1.445 121.944 120.500 -0.002 0.000 2.491 577 R HA 0.119 -7.021 4.340 -19.133 0.000 0.283 577 R C -0.143 176.143 176.300 -0.024 0.000 1.072 577 R CA 0.135 56.231 56.100 -0.007 0.000 1.048 577 R CB 0.648 30.941 30.300 -0.012 0.000 0.983 577 R HN -0.107 nan 8.270 nan 0.000 0.450 578 T N 5.327 119.864 114.554 -0.028 0.000 2.869 578 T HA 0.183 -6.947 4.350 -19.133 0.000 0.295 578 T C -1.960 172.676 174.700 -0.107 0.000 0.987 578 T CA -1.211 60.840 62.100 -0.082 0.000 1.109 578 T CB 0.897 69.732 68.868 -0.055 0.000 0.932 578 T HN 0.358 nan 8.240 nan 0.000 0.518 579 P HA 0.216 nan 4.420 nan 0.000 0.270 579 P C -0.614 176.577 177.300 -0.182 0.000 1.223 579 P CA -0.215 62.797 63.100 -0.146 0.000 0.785 579 P CB 0.413 32.021 31.700 -0.154 0.000 0.923 580 D N 1.438 121.744 120.400 -0.156 0.000 2.400 580 D HA 0.256 -6.584 4.640 -19.133 0.000 0.272 580 D C -0.410 175.775 176.300 -0.193 0.000 1.220 580 D CA -0.357 53.542 54.000 -0.169 0.000 0.897 580 D CB -0.405 40.339 40.800 -0.094 0.000 1.134 580 D HN 0.153 nan 8.370 nan 0.000 0.507 581 I N 1.659 122.065 120.570 -0.275 0.000 2.618 581 I HA -0.040 -7.350 4.170 -19.133 0.000 0.284 581 I C 1.759 177.699 176.117 -0.295 0.000 1.146 581 I CA 0.132 61.236 61.300 -0.327 0.000 1.425 581 I CB 1.320 39.024 38.000 -0.493 0.000 1.383 581 I HN 0.248 nan 8.210 nan 0.000 0.562 582 S N 5.864 121.419 115.700 -0.242 0.000 2.362 582 S HA -0.030 -7.040 4.470 -19.133 0.000 0.221 582 S C 0.322 174.896 174.600 -0.042 0.000 1.032 582 S CA 0.717 58.865 58.200 -0.087 0.000 0.973 582 S CB 0.046 63.282 63.200 0.060 0.000 0.849 582 S HN 0.818 nan 8.310 nan 0.000 0.465 583 H N -2.552 116.367 119.070 -0.252 0.000 2.950 583 H HA 0.313 -6.613 4.556 -19.136 0.000 0.307 583 H C -1.772 173.356 175.328 -0.334 0.000 1.403 583 H CA -0.990 54.913 56.048 -0.242 0.000 1.145 583 H CB -0.294 29.468 29.762 0.000 0.000 1.844 583 H HN 0.203 nan 8.280 nan 0.000 0.515 584 F N 1.613 121.629 119.950 0.109 0.000 2.394 584 F HA 0.330 -6.625 4.527 -19.137 0.000 0.340 584 F C 0.028 175.990 175.800 0.270 0.000 1.105 584 F CA -0.871 57.138 58.000 0.014 0.000 1.124 584 F CB 0.962 39.969 39.000 0.013 0.000 1.145 584 F HN 0.432 nan 8.300 nan 0.000 0.505 585 Y N 0.194 120.708 120.300 0.356 0.000 2.387 585 Y HA 0.817 -6.113 4.550 -19.134 0.000 0.336 585 Y C -1.289 174.709 175.900 0.164 0.000 1.067 585 Y CA -1.653 56.628 58.100 0.301 0.000 1.114 585 Y CB 0.970 39.610 38.460 0.300 0.000 1.208 585 Y HN 0.278 nan 8.280 nan 0.000 0.458 586 V N 2.697 122.712 119.914 0.168 0.000 2.569 586 V HA 0.611 -6.749 4.120 -19.133 0.000 0.301 586 V C 0.526 176.504 176.094 -0.192 0.000 1.044 586 V CA -0.516 61.808 62.300 0.040 0.000 0.874 586 V CB 1.032 32.944 31.823 0.147 0.000 1.002 586 V HN 1.326 nan 8.190 nan 0.000 0.424 587 G N 2.949 111.649 108.800 -0.167 0.000 2.153 587 G HA2 0.231 -7.289 3.960 -19.133 0.000 0.252 587 G HA3 0.231 -7.289 3.960 -19.133 0.000 0.252 587 G C 0.682 175.336 174.900 -0.409 0.000 0.994 587 G CA 0.323 45.197 45.100 -0.377 0.000 0.698 587 G HN 2.301 nan 8.290 nan 0.000 0.521 588 G N -2.654 106.010 108.800 -0.225 0.000 2.369 588 G HA2 0.350 -7.170 3.960 -19.133 0.000 0.307 588 G HA3 0.350 -7.170 3.960 -19.133 0.000 0.307 588 G C -0.050 174.747 174.900 -0.172 0.000 1.327 588 G CA 0.084 45.049 45.100 -0.224 0.000 0.963 588 G HN 0.499 nan 8.290 nan 0.000 0.590 589 Y N 0.380 120.652 120.300 -0.047 0.000 2.500 589 Y HA 0.290 -6.640 4.550 -19.134 0.000 0.270 589 Y C 1.990 177.884 175.900 -0.010 0.000 1.134 589 Y CA 0.710 58.768 58.100 -0.070 0.000 1.293 589 Y CB 0.371 38.747 38.460 -0.139 0.000 1.063 589 Y HN 0.572 nan 8.280 nan 0.000 0.534 590 K N 1.327 121.792 120.400 0.108 0.000 3.071 590 K HA -0.211 -7.371 4.320 -19.133 0.000 0.265 590 K C -1.349 175.286 176.600 0.057 0.000 1.060 590 K CA 0.312 56.639 56.287 0.067 0.000 0.767 590 K CB -0.577 31.958 32.500 0.058 0.000 1.241 590 K HN 0.161 nan 8.250 nan 0.000 0.486 591 R N 0.059 120.606 120.500 0.079 0.000 2.500 591 R HA 0.104 -7.036 4.340 -19.133 0.000 0.299 591 R C 1.052 177.373 176.300 0.035 0.000 1.038 591 R CA 0.214 56.334 56.100 0.033 0.000 0.903 591 R CB 1.528 31.824 30.300 -0.006 0.000 1.177 591 R HN 0.248 nan 8.270 nan 0.000 0.455 592 S N 0.734 116.446 115.700 0.021 0.000 2.442 592 S HA -0.107 -7.116 4.470 -19.133 0.000 0.236 592 S C 1.733 176.338 174.600 0.007 0.000 1.007 592 S CA 1.181 59.392 58.200 0.020 0.000 0.965 592 S CB 0.004 63.213 63.200 0.015 0.000 0.773 592 S HN 0.716 nan 8.310 nan 0.000 0.504 593 G N 1.408 110.202 108.800 -0.010 0.000 2.484 593 G HA2 0.123 -7.396 3.960 -19.133 0.000 0.218 593 G HA3 0.123 -7.396 3.960 -19.133 0.000 0.218 593 G C 0.597 175.474 174.900 -0.038 0.000 1.130 593 G CA 0.187 45.271 45.100 -0.027 0.000 0.784 593 G HN 0.382 nan 8.290 nan 0.000 0.543 594 M N 0.634 120.212 119.600 -0.036 0.000 2.180 594 M HA 0.241 -6.759 4.480 -19.133 0.000 0.358 594 M C -1.959 174.360 176.300 0.032 0.000 1.233 594 M CA -2.416 52.862 55.300 -0.037 0.000 1.114 594 M CB 1.426 33.984 32.600 -0.070 0.000 1.594 594 M HN -0.144 nan 8.290 nan 0.000 0.467 595 P HA 0.040 nan 4.420 nan 0.000 0.249 595 P C 0.168 177.494 177.300 0.043 0.000 1.229 595 P CA 0.331 63.448 63.100 0.028 0.000 0.788 595 P CB -0.195 31.512 31.700 0.011 0.000 1.072 596 T N -1.988 112.612 114.554 0.076 0.000 2.860 596 T HA 0.252 -6.878 4.350 -19.133 0.000 0.299 596 T C -0.185 174.537 174.700 0.037 0.000 1.045 596 T CA -0.385 61.744 62.100 0.049 0.000 1.071 596 T CB 0.668 69.568 68.868 0.053 0.000 0.985 596 T HN -0.133 nan 8.240 nan 0.000 0.537 597 D N 0.658 121.069 120.400 0.018 0.000 2.421 597 D HA 0.284 -6.555 4.640 -19.133 0.000 0.254 597 D C -1.017 175.316 176.300 0.055 0.000 1.238 597 D CA -0.481 53.544 54.000 0.042 0.000 0.919 597 D CB 1.005 41.834 40.800 0.048 0.000 1.152 597 D HN 0.459 nan 8.370 nan 0.000 0.552 598 S N 3.674 119.413 115.700 0.066 0.000 2.422 598 S HA 0.406 -6.604 4.470 -19.133 0.000 0.298 598 S C 0.192 174.903 174.600 0.185 0.000 1.118 598 S CA -0.704 57.584 58.200 0.147 0.000 1.083 598 S CB 0.869 64.125 63.200 0.094 0.000 0.971 598 S HN 0.265 nan 8.310 nan 0.000 0.478 599 R N 2.833 123.461 120.500 0.213 0.000 2.278 599 R HA 0.486 -6.654 4.340 -19.133 0.000 0.322 599 R C -0.603 175.818 176.300 0.202 0.000 1.058 599 R CA -0.376 55.853 56.100 0.215 0.000 0.991 599 R CB 0.554 30.973 30.300 0.198 0.000 1.140 599 R HN 0.499 nan 8.270 nan 0.000 0.518 600 V N -1.563 118.493 119.914 0.237 0.000 3.178 600 V HA 0.566 -6.794 4.120 -19.133 0.000 0.302 600 V C -0.449 175.773 176.094 0.212 0.000 1.262 600 V CA -0.833 61.497 62.300 0.049 0.000 1.030 600 V CB 2.364 34.167 31.823 -0.033 0.000 1.074 600 V HN 0.371 nan 8.190 nan 0.000 0.438 601 T N 2.063 116.668 114.554 0.086 0.000 2.823 601 T HA 0.761 -6.369 4.350 -19.133 0.000 0.279 601 T C -0.637 174.154 174.700 0.151 0.000 0.998 601 T CA -0.391 61.808 62.100 0.165 0.000 0.994 601 T CB 1.539 70.538 68.868 0.219 0.000 0.960 601 T HN 0.841 nan 8.240 nan 0.000 0.448 602 V N 4.894 124.938 119.914 0.217 0.000 2.588 602 V HA 0.544 -6.815 4.120 -19.133 0.000 0.304 602 V C -0.442 175.849 176.094 0.328 0.000 1.042 602 V CA -1.022 61.455 62.300 0.296 0.000 0.877 602 V CB 1.893 33.993 31.823 0.462 0.000 0.996 602 V HN 0.833 nan 8.190 nan 0.000 0.425 603 N N 2.980 121.849 118.700 0.282 0.000 2.265 603 N HA 0.413 -6.327 4.740 -19.133 0.000 0.300 603 N C -0.606 175.064 175.510 0.266 0.000 1.148 603 N CA -0.811 52.414 53.050 0.292 0.000 0.772 603 N CB 1.905 40.513 38.487 0.203 0.000 1.434 603 N HN 0.801 nan 8.380 nan 0.000 0.481 604 N N -0.479 118.373 118.700 0.253 0.000 2.641 604 N HA -0.161 -6.901 4.740 -19.133 0.000 0.267 604 N C -1.147 174.506 175.510 0.237 0.000 1.087 604 N CA -0.019 53.205 53.050 0.291 0.000 0.731 604 N CB -0.651 38.059 38.487 0.372 0.000 0.886 604 N HN 0.214 nan 8.380 nan 0.000 0.547 605 V N 2.219 122.149 119.914 0.026 0.000 2.432 605 V HA 0.337 -7.023 4.120 -19.133 0.000 0.271 605 V C 0.638 176.795 176.094 0.105 0.000 1.046 605 V CA -0.194 62.069 62.300 -0.061 0.000 0.945 605 V CB 1.002 32.574 31.823 -0.417 0.000 0.992 605 V HN 0.237 nan 8.190 nan 0.000 0.471 606 L N 5.760 127.049 121.223 0.112 0.000 2.334 606 L HA 0.652 -6.488 4.340 -19.133 0.000 0.276 606 L C -0.648 176.234 176.870 0.020 0.000 1.014 606 L CA -0.670 54.202 54.840 0.052 0.000 0.815 606 L CB 1.864 43.896 42.059 -0.045 0.000 1.268 606 L HN 0.469 nan 8.230 nan 0.000 0.428 607 L N 2.923 124.074 121.223 -0.120 0.000 2.349 607 L HA 0.555 -6.585 4.340 -19.133 0.000 0.278 607 L C -1.406 175.232 176.870 -0.387 0.000 0.996 607 L CA -0.014 54.665 54.840 -0.268 0.000 0.825 607 L CB 1.078 42.766 42.059 -0.620 0.000 1.243 607 L HN 0.286 nan 8.230 nan 0.000 0.412 608 Y N 2.507 122.707 120.300 -0.167 0.000 2.487 608 Y HA 0.378 -6.550 4.550 -19.131 0.000 0.337 608 Y C 0.819 176.581 175.900 -0.231 0.000 1.076 608 Y CA -0.635 57.331 58.100 -0.223 0.000 1.115 608 Y CB 1.401 39.758 38.460 -0.170 0.000 1.235 608 Y HN 0.712 nan 8.280 nan 0.000 0.468 609 N N 1.487 119.969 118.700 -0.364 0.000 2.346 609 N HA 0.110 -6.629 4.740 -19.133 0.000 0.225 609 N C -0.634 174.766 175.510 -0.183 0.000 1.144 609 N CA -0.348 52.300 53.050 -0.670 0.000 0.837 609 N CB -0.057 37.573 38.487 -1.427 0.000 1.069 609 N HN 0.754 nan 8.380 nan 0.000 0.487 610 R N -2.360 118.115 120.500 -0.041 0.000 2.733 610 R HA 0.290 -6.849 4.340 -19.133 0.000 0.272 610 R C -1.373 174.890 176.300 -0.062 0.000 1.029 610 R CA -0.973 55.102 56.100 -0.040 0.000 0.888 610 R CB 0.688 30.945 30.300 -0.073 0.000 1.251 610 R HN 0.065 nan 8.270 nan 0.000 0.464 611 Q N 2.152 121.899 119.800 -0.090 0.000 2.314 611 Q HA 0.272 -6.868 4.340 -19.133 0.000 0.257 611 Q C -0.680 175.224 176.000 -0.161 0.000 0.975 611 Q CA -0.512 55.214 55.803 -0.129 0.000 0.933 611 Q CB 0.829 29.505 28.738 -0.104 0.000 1.195 611 Q HN 0.500 nan 8.270 nan 0.000 0.426 612 L N 3.532 124.614 121.223 -0.234 0.000 2.467 612 L HA 0.057 -7.083 4.340 -19.133 0.000 0.270 612 L C 0.665 177.407 176.870 -0.213 0.000 1.205 612 L CA -0.331 54.334 54.840 -0.291 0.000 0.828 612 L CB 0.072 41.880 42.059 -0.417 0.000 1.101 612 L HN 0.795 nan 8.230 nan 0.000 0.479 613 N N 1.202 119.791 118.700 -0.184 0.000 2.379 613 N HA 0.253 -6.487 4.740 -19.133 0.000 0.260 613 N C 0.566 175.989 175.510 -0.145 0.000 1.254 613 N CA -0.011 52.960 53.050 -0.130 0.000 0.958 613 N CB 0.753 39.181 38.487 -0.097 0.000 1.208 613 N HN 0.601 nan 8.380 nan 0.000 0.532 614 A N -0.322 122.444 122.820 -0.090 0.000 1.908 614 A HA -0.254 -7.413 4.320 -19.133 0.000 0.218 614 A C 1.986 179.521 177.584 -0.081 0.000 1.181 614 A CA 1.871 53.862 52.037 -0.077 0.000 0.627 614 A CB -1.159 17.834 19.000 -0.011 0.000 0.818 614 A HN 0.921 nan 8.150 nan 0.000 0.445 615 E N -0.209 119.950 120.200 -0.069 0.000 2.072 615 E HA -0.215 -7.345 4.350 -19.133 0.000 0.191 615 E C 1.866 178.417 176.600 -0.081 0.000 0.985 615 E CA 1.300 57.665 56.400 -0.058 0.000 0.801 615 E CB -0.141 29.530 29.700 -0.049 0.000 0.750 615 E HN 0.755 nan 8.360 nan 0.000 0.452 616 E N 0.306 120.434 120.200 -0.120 0.000 2.106 616 E HA -0.156 -7.286 4.350 -19.133 0.000 0.192 616 E C 2.166 178.673 176.600 -0.155 0.000 0.984 616 E CA 1.053 57.362 56.400 -0.151 0.000 0.806 616 E CB -0.024 29.545 29.700 -0.219 0.000 0.750 616 E HN 0.385 nan 8.360 nan 0.000 0.458 617 I N 0.660 121.119 120.570 -0.185 0.000 2.252 617 I HA -0.242 -7.551 4.170 -19.133 0.000 0.245 617 I C 2.607 178.689 176.117 -0.059 0.000 1.102 617 I CA 0.849 62.039 61.300 -0.183 0.000 1.385 617 I CB -0.087 37.672 38.000 -0.400 0.000 1.064 617 I HN -0.007 nan 8.210 nan 0.000 0.414 618 R N 0.871 121.348 120.500 -0.039 0.000 2.081 618 R HA -0.147 -7.286 4.340 -19.133 0.000 0.235 618 R C 2.176 178.491 176.300 0.026 0.000 1.131 618 R CA 2.169 58.303 56.100 0.055 0.000 0.960 618 R CB -0.757 29.568 30.300 0.042 0.000 0.856 618 R HN 0.187 nan 8.270 nan 0.000 0.436 619 T N 0.972 115.507 114.554 -0.033 0.000 2.746 619 T HA -0.067 -7.196 4.350 -19.133 0.000 0.267 619 T C 1.684 176.338 174.700 -0.077 0.000 1.039 619 T CA 1.488 63.553 62.100 -0.059 0.000 1.142 619 T CB -0.158 68.674 68.868 -0.060 0.000 0.866 619 T HN 0.146 nan 8.240 nan 0.000 0.444 620 L N 0.078 121.269 121.223 -0.053 0.000 2.046 620 L HA -0.041 -7.181 4.340 -19.133 0.000 0.208 620 L C 2.299 179.047 176.870 -0.203 0.000 1.077 620 L CA 1.229 56.052 54.840 -0.030 0.000 0.747 620 L CB -0.564 41.553 42.059 0.096 0.000 0.896 620 L HN 0.225 nan 8.230 nan 0.000 0.432 621 F N 1.012 120.641 119.950 -0.535 0.000 2.069 621 F HA -0.228 -7.181 4.527 -19.134 0.000 0.298 621 F C 2.137 177.707 175.800 -0.384 0.000 1.113 621 F CA 1.585 59.061 58.000 -0.873 0.000 1.214 621 F CB -0.518 38.184 39.000 -0.497 0.000 0.978 621 F HN -0.124 nan 8.300 nan 0.000 0.474 622 L N -0.364 120.511 121.223 -0.580 0.000 2.191 622 L HA -0.155 -7.295 4.340 -19.133 0.000 0.212 622 L C 1.781 178.443 176.870 -0.346 0.000 1.103 622 L CA 1.340 55.831 54.840 -0.582 0.000 0.769 622 L CB -0.701 41.170 42.059 -0.314 0.000 0.908 622 L HN 0.111 nan 8.230 nan 0.000 0.438 623 S N -0.791 114.773 115.700 -0.226 0.000 2.572 623 S HA -0.002 -7.012 4.470 -19.133 0.000 0.228 623 S C 1.603 176.165 174.600 -0.063 0.000 0.963 623 S CA -0.314 57.813 58.200 -0.121 0.000 0.939 623 S CB 0.228 63.381 63.200 -0.078 0.000 0.804 623 S HN 0.483 nan 8.310 nan 0.000 0.480 624 Q N 1.277 121.025 119.800 -0.085 0.000 2.291 624 Q HA -0.108 -7.248 4.340 -19.133 0.000 0.206 624 Q C 0.170 176.218 176.000 0.081 0.000 0.976 624 Q CA 1.313 57.145 55.803 0.050 0.000 0.875 624 Q CB -0.284 28.534 28.738 0.132 0.000 0.927 624 Q HN 0.239 nan 8.270 nan 0.000 0.450 625 D N 0.264 120.683 120.400 0.031 0.000 2.328 625 D HA 0.163 -6.677 4.640 -19.133 0.000 0.221 625 D C 1.194 177.535 176.300 0.068 0.000 1.072 625 D CA 0.242 54.275 54.000 0.054 0.000 0.850 625 D CB 0.508 41.322 40.800 0.023 0.000 0.922 625 D HN 0.330 nan 8.370 nan 0.000 0.516 626 L N 0.179 121.443 121.223 0.068 0.000 2.672 626 L HA 0.230 -6.910 4.340 -19.133 0.000 0.236 626 L C 2.059 179.017 176.870 0.146 0.000 1.092 626 L CA 0.170 55.061 54.840 0.085 0.000 0.887 626 L CB 0.188 42.265 42.059 0.030 0.000 1.168 626 L HN -0.032 nan 8.230 nan 0.000 0.502 627 I N -2.236 118.433 120.570 0.165 0.000 3.419 627 I HA 0.251 -7.059 4.170 -19.133 0.000 0.286 627 I C 1.295 177.718 176.117 0.511 0.000 1.268 627 I CA -0.149 61.296 61.300 0.242 0.000 1.414 627 I CB -0.639 37.447 38.000 0.143 0.000 1.074 627 I HN 0.009 nan 8.210 nan 0.000 0.457 628 G N 1.387 110.424 108.800 0.395 0.000 2.614 628 G HA2 0.223 -7.297 3.960 -19.133 0.000 0.239 628 G HA3 0.223 -7.297 3.960 -19.133 0.000 0.239 628 G C 0.962 176.025 174.900 0.271 0.000 1.240 628 G CA 0.372 45.662 45.100 0.316 0.000 0.842 628 G HN 0.417 nan 8.290 nan 0.000 0.584 629 T N -2.114 112.452 114.554 0.021 0.000 3.100 629 T HA 0.049 -7.081 4.350 -19.133 0.000 0.253 629 T C 1.608 176.352 174.700 0.074 0.000 1.118 629 T CA 0.992 63.091 62.100 -0.002 0.000 1.058 629 T CB 0.021 68.660 68.868 -0.381 0.000 0.953 629 T HN 0.692 nan 8.240 nan 0.000 0.515 630 E N 2.035 122.169 120.200 -0.110 0.000 2.095 630 E HA -0.296 -7.426 4.350 -19.133 0.000 0.212 630 E C 2.207 178.574 176.600 -0.388 0.000 1.044 630 E CA 1.769 57.830 56.400 -0.566 0.000 0.857 630 E CB -0.594 28.790 29.700 -0.528 0.000 0.764 630 E HN 0.672 nan 8.360 nan 0.000 0.462 631 A N -0.051 122.589 122.820 -0.300 0.000 2.168 631 A HA -0.037 -7.196 4.320 -19.133 0.000 0.215 631 A C 0.317 177.612 177.584 -0.482 0.000 1.152 631 A CA 0.807 52.600 52.037 -0.408 0.000 0.716 631 A CB -0.457 18.264 19.000 -0.465 0.000 0.794 631 A HN 0.354 nan 8.150 nan 0.000 0.465 632 H N 0.000 119.069 119.070 -0.002 0.000 2.539 632 H HA 0.000 -6.923 4.556 -19.132 0.000 0.296 632 H CA 0.000 56.065 56.048 0.029 0.000 1.023 632 H CB 0.000 29.791 29.762 0.048 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496