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 1ms0_1_B DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFDN 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 0.000 176.859 176.870 -0.019 0.000 1.165 1 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 1 L CB 0.000 42.060 42.059 0.001 0.000 0.961 2 A N 1.376 124.184 122.820 -0.020 0.000 2.304 2 A HA 0.845 5.165 4.320 -0.000 0.000 0.301 2 A C -2.524 175.052 177.584 -0.013 0.000 1.132 2 A CA -1.465 50.562 52.037 -0.017 0.000 0.819 2 A CB 0.149 19.138 19.000 -0.018 0.000 1.094 2 A HN 0.370 nan 8.150 nan 0.000 0.492 3 P HA 0.250 nan 4.420 nan 0.000 0.261 3 P C 0.994 178.289 177.300 -0.009 0.000 1.183 3 P CA 1.895 64.992 63.100 -0.005 0.000 0.761 3 P CB 0.560 32.259 31.700 -0.002 0.000 0.785 4 G N 1.821 110.616 108.800 -0.009 0.000 2.259 4 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 4 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 4 G C 0.450 175.340 174.900 -0.017 0.000 1.001 4 G CA -0.035 45.058 45.100 -0.012 0.000 0.627 4 G HN 0.561 nan 8.290 nan 0.000 0.501 5 S N 0.180 115.868 115.700 -0.021 0.000 2.655 5 S HA 0.829 5.299 4.470 -0.000 0.000 0.265 5 S C 0.417 175.007 174.600 -0.016 0.000 1.240 5 S CA 0.528 58.711 58.200 -0.029 0.000 0.986 5 S CB 1.626 64.806 63.200 -0.034 0.000 0.985 5 S HN 1.857 nan 8.310 nan 0.000 0.562 6 S N -0.238 115.450 115.700 -0.019 0.000 2.655 6 S HA 0.794 5.264 4.470 -0.000 0.000 0.266 6 S C -1.309 173.289 174.600 -0.003 0.000 1.149 6 S CA -1.275 56.924 58.200 -0.001 0.000 0.818 6 S CB 1.691 64.897 63.200 0.011 0.000 1.130 6 S HN 1.073 nan 8.310 nan 0.000 0.476 7 R N -0.981 119.531 120.500 0.020 0.000 2.728 7 R HA 0.766 5.105 4.340 -0.000 0.000 0.274 7 R C -1.765 174.573 176.300 0.064 0.000 1.032 7 R CA -0.848 55.270 56.100 0.030 0.000 0.866 7 R CB 0.893 31.192 30.300 -0.002 0.000 1.263 7 R HN 1.453 nan 8.270 nan 0.000 0.475 8 V N -2.208 117.770 119.914 0.106 0.000 3.001 8 V HA 0.544 4.664 4.120 -0.000 0.000 0.314 8 V C -0.436 175.681 176.094 0.038 0.000 1.099 8 V CA -0.891 61.459 62.300 0.082 0.000 0.989 8 V CB 2.000 33.895 31.823 0.120 0.000 1.040 8 V HN 0.950 nan 8.190 nan 0.000 0.434 9 E N 1.555 121.750 120.200 -0.008 0.000 1.932 9 E HA 0.206 4.556 4.350 -0.000 0.000 0.259 9 E C 0.509 177.044 176.600 -0.108 0.000 1.099 9 E CA -0.431 55.943 56.400 -0.043 0.000 0.970 9 E CB 1.060 30.737 29.700 -0.040 0.000 1.143 9 E HN 0.764 nan 8.360 nan 0.000 0.441 10 L N 3.988 125.129 121.223 -0.137 0.000 2.046 10 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 10 L C 0.104 176.609 176.870 -0.608 0.000 1.077 10 L CA 1.779 56.391 54.840 -0.380 0.000 0.747 10 L CB 0.028 41.812 42.059 -0.459 0.000 0.896 10 L HN 0.348 nan 8.230 nan 0.000 0.432 11 F N 1.244 120.900 119.950 -0.490 0.000 2.307 11 F HA 0.328 4.855 4.527 -0.000 0.000 0.369 11 F C 0.226 175.688 175.800 -0.564 0.000 1.076 11 F CA -0.868 56.637 58.000 -0.824 0.000 1.149 11 F CB 0.338 38.704 39.000 -1.058 0.000 1.410 11 F HN -0.163 nan 8.300 nan 0.000 0.481 12 K N 4.324 124.566 120.400 -0.265 0.000 2.284 12 K HA 0.294 4.614 4.320 -0.000 0.000 0.287 12 K C 0.121 176.797 176.600 0.126 0.000 1.081 12 K CA -0.769 55.492 56.287 -0.043 0.000 0.910 12 K CB 0.701 33.170 32.500 -0.052 0.000 1.088 12 K HN 0.621 nan 8.250 nan 0.000 0.478 13 R N 2.576 123.169 120.500 0.155 0.000 2.566 13 R HA -0.156 4.183 4.340 -0.000 0.000 0.273 13 R C -0.359 175.980 176.300 0.064 0.000 0.981 13 R CA 0.308 56.489 56.100 0.134 0.000 1.091 13 R CB -0.132 30.181 30.300 0.022 0.000 0.924 13 R HN 0.744 nan 8.270 nan 0.000 0.411 14 Q N -0.389 119.437 119.800 0.044 0.000 2.377 14 Q HA -0.311 4.029 4.340 -0.000 0.000 0.234 14 Q C 0.648 176.682 176.000 0.056 0.000 0.847 14 Q CA 1.563 57.387 55.803 0.036 0.000 1.280 14 Q CB -1.129 27.609 28.738 0.000 0.000 1.717 14 Q HN 0.892 nan 8.270 nan 0.000 0.579 15 S N -2.142 113.606 115.700 0.081 0.000 2.930 15 S HA 0.201 4.671 4.470 -0.000 0.000 0.253 15 S C 0.492 175.131 174.600 0.065 0.000 1.083 15 S CA 0.216 58.448 58.200 0.054 0.000 0.836 15 S CB 0.673 63.886 63.200 0.021 0.000 0.814 15 S HN 0.217 nan 8.310 nan 0.000 0.467 16 S N 2.210 117.971 115.700 0.102 0.000 2.564 16 S HA 0.446 4.916 4.470 -0.000 0.000 0.278 16 S C -0.549 174.152 174.600 0.167 0.000 1.333 16 S CA -0.089 58.160 58.200 0.081 0.000 1.048 16 S CB 0.849 64.020 63.200 -0.049 0.000 0.900 16 S HN 0.426 nan 8.310 nan 0.000 0.505 17 K N 1.199 121.664 120.400 0.108 0.000 2.267 17 K HA 0.733 5.053 4.320 -0.000 0.000 0.246 17 K C -0.787 175.896 176.600 0.139 0.000 0.954 17 K CA -0.848 55.515 56.287 0.128 0.000 0.824 17 K CB 1.772 34.324 32.500 0.087 0.000 1.167 17 K HN 0.449 nan 8.250 nan 0.000 0.431 18 V N -1.628 118.392 119.914 0.178 0.000 3.078 18 V HA 0.590 4.709 4.120 -0.000 0.000 0.311 18 V C -2.837 173.382 176.094 0.209 0.000 1.138 18 V CA -2.769 59.644 62.300 0.189 0.000 1.007 18 V CB 1.867 33.823 31.823 0.221 0.000 1.045 18 V HN 0.564 nan 8.190 nan 0.000 0.432 19 P HA 0.266 nan 4.420 nan 0.000 0.256 19 P C -0.825 176.603 177.300 0.214 0.000 1.689 19 P CA 0.087 63.287 63.100 0.167 0.000 1.124 19 P CB -0.394 31.375 31.700 0.115 0.000 1.766 20 F N 3.035 123.023 119.950 0.065 0.000 2.502 20 F HA 0.157 4.683 4.527 -0.000 0.000 0.371 20 F C 0.702 176.491 175.800 -0.019 0.000 1.083 20 F CA -0.661 57.344 58.000 0.009 0.000 1.174 20 F CB 0.388 39.330 39.000 -0.096 0.000 1.096 20 F HN 0.210 nan 8.300 nan 0.000 0.545 21 E N 7.068 126.997 120.200 -0.453 0.000 2.156 21 E HA 0.321 4.670 4.350 -0.000 0.000 0.279 21 E C -1.271 174.920 176.600 -0.682 0.000 0.965 21 E CA -0.694 55.456 56.400 -0.416 0.000 0.789 21 E CB 0.874 30.449 29.700 -0.209 0.000 1.098 21 E HN 0.695 nan 8.360 nan 0.000 0.397 22 K N 4.022 124.125 120.400 -0.495 0.000 2.565 22 K HA 0.115 4.435 4.320 -0.000 0.000 0.251 22 K C -1.323 175.158 176.600 -0.198 0.000 0.956 22 K CA -0.539 55.509 56.287 -0.399 0.000 0.809 22 K CB 1.081 33.289 32.500 -0.486 0.000 1.267 22 K HN 0.572 nan 8.250 nan 0.000 0.438 23 D N 2.688 123.003 120.400 -0.142 0.000 2.701 23 D HA -0.198 4.442 4.640 -0.000 0.000 0.235 23 D C 0.659 176.916 176.300 -0.072 0.000 1.155 23 D CA 2.101 56.050 54.000 -0.086 0.000 0.649 23 D CB -1.046 39.716 40.800 -0.064 0.000 1.050 23 D HN 1.083 nan 8.370 nan 0.000 0.425 24 G N -0.529 108.224 108.800 -0.079 0.000 2.162 24 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.260 24 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.260 24 G C 0.320 175.187 174.900 -0.055 0.000 0.976 24 G CA 0.773 45.838 45.100 -0.058 0.000 0.655 24 G HN 0.615 nan 8.290 nan 0.000 0.533 25 K N 0.160 120.516 120.400 -0.073 0.000 2.292 25 K HA 0.651 4.971 4.320 -0.000 0.000 0.257 25 K C -0.371 176.189 176.600 -0.068 0.000 0.940 25 K CA -0.734 55.520 56.287 -0.054 0.000 0.811 25 K CB 1.926 34.404 32.500 -0.037 0.000 1.120 25 K HN 0.028 nan 8.250 nan 0.000 0.428 26 V N 3.353 123.249 119.914 -0.031 0.000 2.370 26 V HA 0.409 4.529 4.120 -0.000 0.000 0.283 26 V C -0.502 175.610 176.094 0.030 0.000 1.023 26 V CA -0.528 61.765 62.300 -0.012 0.000 0.857 26 V CB 1.613 33.437 31.823 0.002 0.000 0.985 26 V HN 0.848 nan 8.190 nan 0.000 0.443 27 T N 3.523 118.121 114.554 0.072 0.000 2.886 27 T HA 0.318 4.668 4.350 -0.000 0.000 0.292 27 T C -0.531 174.250 174.700 0.135 0.000 1.012 27 T CA -0.608 61.550 62.100 0.098 0.000 0.982 27 T CB 1.709 70.640 68.868 0.105 0.000 1.018 27 T HN 0.607 nan 8.240 nan 0.000 0.451 28 E N 2.805 123.067 120.200 0.102 0.000 2.159 28 E HA 0.095 4.445 4.350 -0.000 0.000 0.272 28 E C 0.064 176.727 176.600 0.105 0.000 1.138 28 E CA 0.107 56.571 56.400 0.107 0.000 0.915 28 E CB 0.644 30.389 29.700 0.076 0.000 1.028 28 E HN 0.342 nan 8.360 nan 0.000 0.423 29 R N 2.170 122.751 120.500 0.135 0.000 2.589 29 R HA 0.368 4.708 4.340 -0.000 0.000 0.293 29 R C -0.580 175.797 176.300 0.128 0.000 0.963 29 R CA -0.683 55.473 56.100 0.094 0.000 0.905 29 R CB 1.174 31.475 30.300 0.001 0.000 1.144 29 R HN 0.172 nan 8.270 nan 0.000 0.459 30 V N 4.194 124.163 119.914 0.091 0.000 2.732 30 V HA 0.215 4.335 4.120 -0.000 0.000 0.297 30 V C -0.147 176.008 176.094 0.101 0.000 1.060 30 V CA -0.406 61.953 62.300 0.099 0.000 1.038 30 V CB 1.615 33.480 31.823 0.070 0.000 1.003 30 V HN 0.492 nan 8.190 nan 0.000 0.481 31 V N 3.814 123.768 119.914 0.066 0.000 2.459 31 V HA 0.270 4.390 4.120 -0.000 0.000 0.295 31 V C 1.000 177.061 176.094 -0.056 0.000 1.029 31 V CA -0.389 61.855 62.300 -0.094 0.000 0.874 31 V CB 1.188 32.717 31.823 -0.490 0.000 0.985 31 V HN 0.986 nan 8.190 nan 0.000 0.438 32 H N 2.871 121.864 119.070 -0.128 0.000 2.256 32 H HA 0.012 4.568 4.556 -0.000 0.000 0.299 32 H C 0.360 175.642 175.328 -0.076 0.000 1.071 32 H CA 1.673 57.681 56.048 -0.067 0.000 1.280 32 H CB 0.602 30.335 29.762 -0.047 0.000 1.370 32 H HN 0.589 nan 8.280 nan 0.000 0.490 33 S N -0.432 115.187 115.700 -0.134 0.000 2.538 33 S HA 0.392 4.862 4.470 -0.000 0.000 0.288 33 S C -1.403 172.964 174.600 -0.387 0.000 1.108 33 S CA -0.649 57.463 58.200 -0.147 0.000 0.971 33 S CB 1.703 64.933 63.200 0.050 0.000 1.041 33 S HN 0.205 nan 8.310 nan 0.000 0.483 34 F N 2.389 122.307 119.950 -0.054 0.000 2.427 34 F HA 0.628 5.155 4.527 -0.000 0.000 0.346 34 F C 0.975 176.676 175.800 -0.165 0.000 1.120 34 F CA -0.551 57.379 58.000 -0.117 0.000 1.033 34 F CB 1.085 40.037 39.000 -0.080 0.000 1.126 34 F HN 0.229 nan 8.300 nan 0.000 0.462 35 R N 1.522 121.967 120.500 -0.091 0.000 2.906 35 R HA 0.521 4.861 4.340 -0.000 0.000 0.258 35 R C -0.844 175.380 176.300 -0.127 0.000 1.156 35 R CA -1.048 54.948 56.100 -0.174 0.000 0.996 35 R CB 1.614 31.700 30.300 -0.356 0.000 1.259 35 R HN 0.611 nan 8.270 nan 0.000 0.462 36 L N 0.845 122.030 121.223 -0.063 0.000 3.632 36 L HA -0.131 4.209 4.340 -0.000 0.000 0.510 36 L C -2.212 174.675 176.870 0.028 0.000 1.299 36 L CA 0.090 54.977 54.840 0.078 0.000 0.829 36 L CB -1.779 40.305 42.059 0.040 0.000 1.559 36 L HN 0.371 nan 8.230 nan 0.000 0.857 37 P HA 0.317 nan 4.420 nan 0.000 0.268 37 P C -0.187 177.133 177.300 0.033 0.000 1.205 37 P CA 0.305 63.389 63.100 -0.027 0.000 0.771 37 P CB 1.233 32.939 31.700 0.010 0.000 0.858 38 A N 3.221 126.061 122.820 0.033 0.000 2.429 38 A HA 0.577 4.897 4.320 -0.000 0.000 0.289 38 A C -1.679 175.975 177.584 0.116 0.000 1.043 38 A CA -0.546 51.543 52.037 0.087 0.000 0.722 38 A CB 0.955 20.014 19.000 0.098 0.000 1.243 38 A HN 0.467 nan 8.150 nan 0.000 0.415 39 L N 4.054 125.364 121.223 0.146 0.000 2.349 39 L HA 0.831 5.171 4.340 -0.000 0.000 0.278 39 L C -0.394 176.582 176.870 0.177 0.000 0.996 39 L CA -0.407 54.542 54.840 0.182 0.000 0.825 39 L CB 1.651 43.844 42.059 0.223 0.000 1.243 39 L HN 1.171 nan 8.230 nan 0.000 0.412 40 V N 2.211 122.230 119.914 0.173 0.000 3.158 40 V HA 0.750 4.870 4.120 -0.000 0.000 0.311 40 V C -1.233 174.936 176.094 0.125 0.000 1.181 40 V CA -0.791 61.598 62.300 0.147 0.000 1.054 40 V CB 2.171 34.078 31.823 0.141 0.000 1.085 40 V HN 0.862 nan 8.190 nan 0.000 0.446 41 N N 0.571 119.330 118.700 0.098 0.000 2.443 41 N HA 0.588 5.328 4.740 -0.000 0.000 0.269 41 N C -1.319 174.222 175.510 0.053 0.000 0.985 41 N CA -0.401 52.689 53.050 0.066 0.000 0.921 41 N CB 1.702 40.221 38.487 0.054 0.000 1.195 41 N HN 0.713 nan 8.380 nan 0.000 0.492 42 V N 3.600 123.537 119.914 0.038 0.000 2.266 42 V HA 0.246 4.366 4.120 -0.000 0.000 0.271 42 V C 0.139 176.233 176.094 -0.000 0.000 1.032 42 V CA -0.677 61.633 62.300 0.017 0.000 0.806 42 V CB 0.498 32.322 31.823 0.002 0.000 1.052 42 V HN 0.865 nan 8.190 nan 0.000 0.449 43 D N 4.125 124.525 120.400 0.001 0.000 2.686 43 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 43 D C 1.247 177.540 176.300 -0.013 0.000 1.160 43 D CA 2.099 56.094 54.000 -0.008 0.000 0.645 43 D CB -1.065 39.726 40.800 -0.015 0.000 1.039 43 D HN 1.249 nan 8.370 nan 0.000 0.423 44 G N -2.447 106.346 108.800 -0.011 0.000 2.259 44 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 44 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 44 G C 0.228 175.111 174.900 -0.029 0.000 1.001 44 G CA 0.030 45.118 45.100 -0.021 0.000 0.627 44 G HN 0.885 nan 8.290 nan 0.000 0.501 45 V N 3.001 122.906 119.914 -0.015 0.000 2.370 45 V HA 0.605 4.725 4.120 -0.000 0.000 0.279 45 V C 0.826 176.926 176.094 0.010 0.000 1.029 45 V CA -0.378 61.917 62.300 -0.007 0.000 0.870 45 V CB 1.476 33.313 31.823 0.023 0.000 0.984 45 V HN 0.355 nan 8.190 nan 0.000 0.451 46 M N 4.771 124.355 119.600 -0.028 0.000 2.200 46 M HA 0.415 4.895 4.480 -0.000 0.000 0.355 46 M C -0.772 175.632 176.300 0.172 0.000 1.283 46 M CA -0.004 55.315 55.300 0.033 0.000 1.124 46 M CB 1.246 33.810 32.600 -0.061 0.000 1.625 46 M HN 0.424 nan 8.290 nan 0.000 0.463 47 V N 2.516 122.574 119.914 0.239 0.000 2.656 47 V HA 0.778 4.898 4.120 -0.000 0.000 0.307 47 V C -0.426 175.858 176.094 0.316 0.000 1.051 47 V CA -0.913 61.578 62.300 0.318 0.000 0.893 47 V CB 1.811 33.782 31.823 0.246 0.000 0.999 47 V HN 0.927 nan 8.190 nan 0.000 0.426 48 A N 5.450 128.474 122.820 0.339 0.000 2.330 48 A HA 0.925 5.245 4.320 -0.000 0.000 0.313 48 A C -0.965 176.746 177.584 0.212 0.000 1.124 48 A CA -0.430 51.751 52.037 0.240 0.000 0.774 48 A CB 0.815 19.925 19.000 0.185 0.000 1.198 48 A HN 0.753 nan 8.150 nan 0.000 0.465 49 I N 1.354 121.997 120.570 0.123 0.000 2.603 49 I HA 0.792 4.962 4.170 -0.000 0.000 0.300 49 I C 0.347 176.446 176.117 -0.031 0.000 1.017 49 I CA -0.144 61.206 61.300 0.083 0.000 1.098 49 I CB 2.261 40.333 38.000 0.120 0.000 1.279 49 I HN 0.895 nan 8.210 nan 0.000 0.437 50 A N 3.306 126.095 122.820 -0.052 0.000 2.540 50 A HA 0.517 4.837 4.320 -0.000 0.000 0.291 50 A C -1.962 175.576 177.584 -0.077 0.000 1.083 50 A CA -0.700 51.270 52.037 -0.110 0.000 0.650 50 A CB 1.000 19.826 19.000 -0.289 0.000 1.292 50 A HN 0.522 nan 8.150 nan 0.000 0.435 51 D N 0.944 121.284 120.400 -0.101 0.000 2.308 51 D HA 0.543 5.183 4.640 -0.000 0.000 0.251 51 D C 0.049 176.240 176.300 -0.182 0.000 1.127 51 D CA 1.012 54.929 54.000 -0.138 0.000 0.876 51 D CB 1.450 42.151 40.800 -0.165 0.000 1.176 51 D HN 0.861 nan 8.370 nan 0.000 0.446 52 A N 3.963 126.614 122.820 -0.282 0.000 2.316 52 A HA 0.439 4.759 4.320 -0.000 0.000 0.324 52 A C -0.193 176.997 177.584 -0.656 0.000 1.375 52 A CA -0.781 50.916 52.037 -0.568 0.000 0.882 52 A CB 0.379 19.069 19.000 -0.516 0.000 1.152 52 A HN 0.461 nan 8.150 nan 0.000 0.512 53 R N 2.996 123.144 120.500 -0.587 0.000 2.233 53 R HA 0.309 4.648 4.340 -0.000 0.000 0.334 53 R C -0.422 175.692 176.300 -0.310 0.000 1.037 53 R CA -0.330 55.551 56.100 -0.365 0.000 0.920 53 R CB 0.431 30.606 30.300 -0.207 0.000 1.137 53 R HN 0.818 nan 8.270 nan 0.000 0.492 54 Y N 1.449 121.640 120.300 -0.180 0.000 2.128 54 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 54 Y C 1.688 177.519 175.900 -0.114 0.000 1.154 54 Y CA 1.568 59.561 58.100 -0.178 0.000 1.149 54 Y CB 0.241 38.551 38.460 -0.249 0.000 0.976 54 Y HN 0.551 nan 8.280 nan 0.000 0.505 55 E N -1.835 118.387 120.200 0.038 0.000 2.372 55 E HA 0.092 4.442 4.350 -0.000 0.000 0.201 55 E C 0.622 177.068 176.600 -0.257 0.000 0.938 55 E CA 0.661 57.025 56.400 -0.060 0.000 0.944 55 E CB 0.843 30.507 29.700 -0.060 0.000 0.937 55 E HN 0.164 nan 8.360 nan 0.000 0.495 56 T N -1.554 112.840 114.554 -0.267 0.000 2.711 56 T HA 0.133 4.482 4.350 -0.000 0.000 0.302 56 T C -0.153 174.518 174.700 -0.048 0.000 1.373 56 T CA -0.062 61.763 62.100 -0.459 0.000 1.000 56 T CB 1.193 69.929 68.868 -0.221 0.000 1.483 56 T HN -0.046 nan 8.240 nan 0.000 0.499 57 S N 0.594 116.347 115.700 0.088 0.000 2.540 57 S HA 0.317 4.786 4.470 -0.000 0.000 0.218 57 S C 0.406 175.064 174.600 0.095 0.000 0.977 57 S CA -0.408 57.871 58.200 0.132 0.000 0.918 57 S CB -0.401 62.965 63.200 0.278 0.000 0.806 57 S HN 0.533 nan 8.310 nan 0.000 0.496 58 F N 4.021 123.938 119.950 -0.055 0.000 2.602 58 F HA 0.183 4.709 4.527 -0.000 0.000 0.367 58 F C 1.003 176.767 175.800 -0.060 0.000 1.126 58 F CA -0.829 57.138 58.000 -0.055 0.000 1.321 58 F CB 0.327 39.284 39.000 -0.073 0.000 1.094 58 F HN 0.062 nan 8.300 nan 0.000 0.594 59 D N 2.660 122.753 120.400 -0.512 0.000 2.144 59 D HA -0.190 4.449 4.640 -0.000 0.000 0.199 59 D C 0.248 176.225 176.300 -0.537 0.000 0.984 59 D CA 1.430 55.169 54.000 -0.435 0.000 0.834 59 D CB -0.068 40.605 40.800 -0.212 0.000 0.955 59 D HN 0.461 nan 8.370 nan 0.000 0.465 60 N N 1.030 119.146 118.700 -0.975 0.000 3.234 60 N HA 0.098 4.838 4.740 -0.000 0.000 0.272 60 N C -0.159 175.233 175.510 -0.198 0.000 1.254 60 N CA -0.022 52.712 53.050 -0.528 0.000 1.087 60 N CB 1.047 39.225 38.487 -0.515 0.000 1.356 60 N HN 0.081 nan 8.380 nan 0.000 0.511 61 S N -0.608 115.025 115.700 -0.112 0.000 3.144 61 S HA 0.487 4.957 4.470 -0.000 0.000 0.325 61 S C -0.610 173.988 174.600 -0.003 0.000 1.161 61 S CA -0.821 57.377 58.200 -0.003 0.000 0.920 61 S CB 1.181 64.406 63.200 0.041 0.000 1.340 61 S HN 0.146 nan 8.310 nan 0.000 0.681 62 L N 1.363 122.602 121.223 0.027 0.000 2.283 62 L HA 0.645 4.984 4.340 -0.000 0.000 0.287 62 L C -1.418 175.524 176.870 0.121 0.000 1.073 62 L CA -0.114 54.772 54.840 0.076 0.000 0.822 62 L CB -0.487 41.619 42.059 0.077 0.000 1.186 62 L HN 0.576 nan 8.230 nan 0.000 0.436 63 I N 4.024 124.646 120.570 0.087 0.000 2.582 63 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 63 I C -0.833 175.324 176.117 0.066 0.000 1.066 63 I CA -0.688 60.621 61.300 0.016 0.000 1.053 63 I CB 1.974 39.928 38.000 -0.077 0.000 1.241 63 I HN 0.418 nan 8.210 nan 0.000 0.421 64 D N 2.590 123.005 120.400 0.024 0.000 2.374 64 D HA 0.451 5.091 4.640 -0.000 0.000 0.239 64 D C -0.713 175.546 176.300 -0.069 0.000 0.991 64 D CA -0.303 53.729 54.000 0.053 0.000 0.960 64 D CB 2.293 43.224 40.800 0.219 0.000 1.284 64 D HN 0.337 nan 8.370 nan 0.000 0.512 65 T N 0.567 115.077 114.554 -0.074 0.000 2.733 65 T HA 0.384 4.734 4.350 -0.000 0.000 0.294 65 T C -0.065 174.574 174.700 -0.102 0.000 0.956 65 T CA -0.415 61.623 62.100 -0.103 0.000 0.987 65 T CB 0.986 69.771 68.868 -0.138 0.000 0.920 65 T HN 0.090 nan 8.240 nan 0.000 0.470 66 V N 2.706 122.601 119.914 -0.032 0.000 2.966 66 V HA 0.939 5.059 4.120 -0.000 0.000 0.317 66 V C -0.637 175.507 176.094 0.083 0.000 1.070 66 V CA -0.630 61.697 62.300 0.045 0.000 1.008 66 V CB 1.511 33.449 31.823 0.191 0.000 1.070 66 V HN 1.042 nan 8.190 nan 0.000 0.457 67 A N 4.718 127.621 122.820 0.138 0.000 2.486 67 A HA 0.819 5.139 4.320 -0.000 0.000 0.300 67 A C -0.936 176.833 177.584 0.307 0.000 1.048 67 A CA -0.824 51.354 52.037 0.234 0.000 0.696 67 A CB 1.614 20.765 19.000 0.252 0.000 1.278 67 A HN 0.815 nan 8.150 nan 0.000 0.405 68 K N 0.649 121.255 120.400 0.343 0.000 2.375 68 K HA 0.672 4.991 4.320 -0.000 0.000 0.249 68 K C -1.778 175.149 176.600 0.545 0.000 0.942 68 K CA -0.559 55.917 56.287 0.315 0.000 0.806 68 K CB 2.335 34.827 32.500 -0.013 0.000 1.227 68 K HN 0.763 nan 8.250 nan 0.000 0.430 69 Y N -1.773 118.749 120.300 0.371 0.000 2.534 69 Y HA 0.692 5.242 4.550 -0.000 0.000 0.345 69 Y C -0.882 175.026 175.900 0.012 0.000 1.031 69 Y CA -1.023 57.222 58.100 0.243 0.000 1.022 69 Y CB 1.923 40.467 38.460 0.140 0.000 1.292 69 Y HN 0.474 nan 8.280 nan 0.000 0.459 70 S N 1.688 117.256 115.700 -0.220 0.000 2.556 70 S HA 0.602 5.072 4.470 -0.000 0.000 0.271 70 S C -0.702 173.692 174.600 -0.343 0.000 1.135 70 S CA -0.060 57.804 58.200 -0.561 0.000 0.858 70 S CB 1.525 63.882 63.200 -1.404 0.000 1.114 70 S HN 1.776 nan 8.310 nan 0.000 0.468 71 V N 0.004 119.749 119.914 -0.283 0.000 3.346 71 V HA 0.480 4.600 4.120 -0.000 0.000 0.309 71 V C -0.118 175.871 176.094 -0.175 0.000 1.457 71 V CA 0.468 62.667 62.300 -0.169 0.000 1.069 71 V CB 0.023 31.793 31.823 -0.088 0.000 0.944 71 V HN 0.800 nan 8.190 nan 0.000 0.449 72 D N -0.926 119.324 120.400 -0.250 0.000 3.008 72 D HA 0.205 4.845 4.640 -0.000 0.000 0.312 72 D C 0.128 176.314 176.300 -0.189 0.000 1.361 72 D CA -0.445 53.444 54.000 -0.185 0.000 0.858 72 D CB -0.310 40.392 40.800 -0.164 0.000 1.098 72 D HN 0.195 nan 8.370 nan 0.000 0.482 73 D N 0.416 120.699 120.400 -0.195 0.000 2.782 73 D HA -0.187 4.453 4.640 -0.000 0.000 0.231 73 D C 1.375 177.588 176.300 -0.145 0.000 1.163 73 D CA 1.775 55.689 54.000 -0.144 0.000 0.680 73 D CB -1.188 39.623 40.800 0.018 0.000 1.062 73 D HN 0.757 nan 8.370 nan 0.000 0.425 74 G N -0.971 107.562 108.800 -0.445 0.000 2.195 74 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.224 74 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.224 74 G C 0.962 175.738 174.900 -0.206 0.000 0.990 74 G CA 0.446 45.280 45.100 -0.442 0.000 0.639 74 G HN 0.319 nan 8.290 nan 0.000 0.514 75 E N 0.773 120.867 120.200 -0.177 0.000 2.038 75 E HA 0.001 4.351 4.350 -0.000 0.000 0.195 75 E C 1.684 178.200 176.600 -0.140 0.000 1.000 75 E CA 1.936 58.289 56.400 -0.078 0.000 0.803 75 E CB -0.391 29.268 29.700 -0.068 0.000 0.750 75 E HN 0.922 nan 8.360 nan 0.000 0.448 76 T N -2.362 111.981 114.554 -0.352 0.000 2.893 76 T HA 0.555 4.905 4.350 -0.000 0.000 0.291 76 T C -0.981 173.379 174.700 -0.567 0.000 1.028 76 T CA -0.935 60.986 62.100 -0.297 0.000 0.995 76 T CB 1.283 70.048 68.868 -0.172 0.000 1.051 76 T HN 0.025 nan 8.240 nan 0.000 0.470 77 W N 0.454 121.606 121.300 -0.246 0.000 2.844 77 W HA 0.616 5.276 4.660 -0.000 0.000 0.340 77 W C 0.007 176.314 176.519 -0.352 0.000 1.093 77 W CA -0.804 56.347 57.345 -0.322 0.000 1.212 77 W CB 1.448 30.711 29.460 -0.328 0.000 1.422 77 W HN 0.592 nan 8.180 nan 0.000 0.515 78 E N 0.832 120.839 120.200 -0.321 0.000 2.232 78 E HA 0.655 5.005 4.350 -0.000 0.000 0.265 78 E C -0.692 175.830 176.600 -0.129 0.000 1.001 78 E CA -0.516 55.687 56.400 -0.329 0.000 0.870 78 E CB 1.908 31.231 29.700 -0.629 0.000 1.175 78 E HN 0.255 nan 8.360 nan 0.000 0.407 79 T N 1.390 115.951 114.554 0.012 0.000 2.900 79 T HA 0.508 4.858 4.350 -0.000 0.000 0.295 79 T C -0.696 174.110 174.700 0.177 0.000 1.044 79 T CA -0.906 61.249 62.100 0.091 0.000 0.995 79 T CB 1.680 70.555 68.868 0.011 0.000 1.072 79 T HN 0.426 nan 8.240 nan 0.000 0.473 80 Q N 0.951 120.870 119.800 0.198 0.000 2.575 80 Q HA 0.612 4.952 4.340 -0.000 0.000 0.290 80 Q C -1.653 174.400 176.000 0.089 0.000 0.963 80 Q CA -1.185 54.720 55.803 0.169 0.000 0.783 80 Q CB 1.225 30.108 28.738 0.241 0.000 1.467 80 Q HN 0.324 nan 8.270 nan 0.000 0.402 81 I N 1.392 121.981 120.570 0.032 0.000 2.365 81 I HA 0.353 4.522 4.170 -0.000 0.000 0.291 81 I C 0.591 176.532 176.117 -0.294 0.000 1.004 81 I CA -0.130 61.135 61.300 -0.058 0.000 1.311 81 I CB 1.085 39.095 38.000 0.017 0.000 1.401 81 I HN 1.049 nan 8.210 nan 0.000 0.491 82 A N 7.450 129.947 122.820 -0.537 0.000 1.956 82 A HA 0.341 4.661 4.320 -0.000 0.000 0.212 82 A C 0.807 177.949 177.584 -0.737 0.000 1.188 82 A CA 0.822 52.113 52.037 -1.243 0.000 0.675 82 A CB 0.219 18.125 19.000 -1.823 0.000 0.845 82 A HN 0.597 nan 8.150 nan 0.000 0.455 83 I N 0.092 120.424 120.570 -0.398 0.000 2.686 83 I HA 0.305 4.475 4.170 -0.000 0.000 0.295 83 I C -0.861 175.189 176.117 -0.111 0.000 1.114 83 I CA -0.955 60.222 61.300 -0.205 0.000 1.038 83 I CB 2.400 40.298 38.000 -0.171 0.000 1.238 83 I HN 0.254 nan 8.210 nan 0.000 0.420 84 K N 4.396 124.757 120.400 -0.065 0.000 2.203 84 K HA 0.488 4.808 4.320 -0.000 0.000 0.251 84 K C -0.591 176.000 176.600 -0.015 0.000 0.944 84 K CA -0.830 55.446 56.287 -0.017 0.000 0.829 84 K CB 1.769 34.255 32.500 -0.023 0.000 1.125 84 K HN 0.724 nan 8.250 nan 0.000 0.430 85 N N 0.543 119.256 118.700 0.022 0.000 2.263 85 N HA -0.116 4.623 4.740 -0.000 0.000 0.239 85 N C 0.578 176.085 175.510 -0.006 0.000 1.317 85 N CA -0.092 52.965 53.050 0.011 0.000 0.909 85 N CB 0.633 39.149 38.487 0.047 0.000 1.171 85 N HN 0.768 nan 8.380 nan 0.000 0.492 86 S N -0.868 114.826 115.700 -0.011 0.000 2.555 86 S HA -0.044 4.425 4.470 -0.000 0.000 0.230 86 S C 0.567 175.159 174.600 -0.013 0.000 0.978 86 S CA -0.170 58.017 58.200 -0.021 0.000 0.934 86 S CB -0.341 62.843 63.200 -0.027 0.000 0.766 86 S HN 0.649 nan 8.310 nan 0.000 0.533 87 R N -0.481 120.023 120.500 0.006 0.000 3.863 87 R HA -0.202 4.137 4.340 -0.000 0.000 0.313 87 R C 1.119 177.424 176.300 0.008 0.000 1.202 87 R CA 0.868 56.974 56.100 0.010 0.000 0.852 87 R CB -2.678 27.608 30.300 -0.024 0.000 1.292 87 R HN 0.687 nan 8.270 nan 0.000 0.519 88 A N 0.040 122.867 122.820 0.010 0.000 1.930 88 A HA 0.040 4.360 4.320 -0.000 0.000 0.215 88 A C 1.218 178.811 177.584 0.014 0.000 1.176 88 A CA 1.589 53.631 52.037 0.008 0.000 0.632 88 A CB 0.130 19.134 19.000 0.007 0.000 0.819 88 A HN 0.636 nan 8.150 nan 0.000 0.445 89 S N -2.510 113.204 115.700 0.023 0.000 2.840 89 S HA 0.397 4.867 4.470 -0.000 0.000 0.307 89 S C 0.830 175.446 174.600 0.026 0.000 1.180 89 S CA 0.453 58.666 58.200 0.022 0.000 0.846 89 S CB 0.735 63.949 63.200 0.023 0.000 1.233 89 S HN 0.767 nan 8.310 nan 0.000 0.548 90 S N -0.249 115.464 115.700 0.021 0.000 2.522 90 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 90 S C 1.266 175.881 174.600 0.024 0.000 0.986 90 S CA 0.707 58.917 58.200 0.018 0.000 0.929 90 S CB -0.843 62.361 63.200 0.007 0.000 0.769 90 S HN 1.635 nan 8.310 nan 0.000 0.529 91 V N -1.368 118.565 119.914 0.031 0.000 3.085 91 V HA 0.456 4.576 4.120 -0.000 0.000 0.345 91 V C 0.133 176.253 176.094 0.043 0.000 1.397 91 V CA -0.744 61.575 62.300 0.033 0.000 1.165 91 V CB -0.570 31.271 31.823 0.031 0.000 1.153 91 V HN 0.253 nan 8.190 nan 0.000 0.495 92 S N 3.097 118.828 115.700 0.052 0.000 2.560 92 S HA 0.569 5.038 4.470 -0.000 0.000 0.284 92 S C 0.199 174.837 174.600 0.064 0.000 1.327 92 S CA -0.150 58.087 58.200 0.063 0.000 1.055 92 S CB 0.296 63.526 63.200 0.050 0.000 0.868 92 S HN 0.957 nan 8.310 nan 0.000 0.506 93 R N -0.636 119.907 120.500 0.072 0.000 2.604 93 R HA 0.551 4.890 4.340 -0.000 0.000 0.261 93 R C -1.679 174.649 176.300 0.047 0.000 1.080 93 R CA -1.041 55.090 56.100 0.050 0.000 0.917 93 R CB 0.562 30.869 30.300 0.012 0.000 1.252 93 R HN 0.407 nan 8.270 nan 0.000 0.456 94 V N 0.209 120.124 119.914 0.003 0.000 2.398 94 V HA 0.794 4.914 4.120 -0.000 0.000 0.286 94 V C 0.387 176.449 176.094 -0.054 0.000 1.026 94 V CA -0.587 61.693 62.300 -0.034 0.000 0.868 94 V CB 1.028 32.812 31.823 -0.065 0.000 0.982 94 V HN 0.706 nan 8.190 nan 0.000 0.443 95 V N 0.637 120.513 119.914 -0.064 0.000 3.126 95 V HA 0.685 4.804 4.120 -0.000 0.000 0.314 95 V C -0.084 175.938 176.094 -0.120 0.000 1.138 95 V CA -0.702 61.539 62.300 -0.097 0.000 1.034 95 V CB 1.671 33.424 31.823 -0.118 0.000 1.075 95 V HN 0.916 nan 8.190 nan 0.000 0.442 96 D N 0.929 121.265 120.400 -0.108 0.000 2.755 96 D HA -0.107 4.533 4.640 -0.000 0.000 0.227 96 D C -2.227 174.028 176.300 -0.075 0.000 1.211 96 D CA 1.079 55.029 54.000 -0.084 0.000 0.663 96 D CB -1.135 39.594 40.800 -0.118 0.000 0.983 96 D HN 0.792 nan 8.370 nan 0.000 0.407 97 P HA 0.016 nan 4.420 nan 0.000 0.264 97 P C -0.249 177.068 177.300 0.027 0.000 1.193 97 P CA 0.328 63.411 63.100 -0.029 0.000 0.763 97 P CB 0.873 32.561 31.700 -0.019 0.000 0.810 98 T N 2.622 117.210 114.554 0.057 0.000 2.812 98 T HA 0.384 4.734 4.350 -0.000 0.000 0.282 98 T C -0.106 174.788 174.700 0.324 0.000 0.990 98 T CA -0.472 61.732 62.100 0.173 0.000 0.960 98 T CB 1.212 70.173 68.868 0.155 0.000 0.948 98 T HN 0.079 nan 8.240 nan 0.000 0.438 99 V N 4.520 124.617 119.914 0.304 0.000 2.581 99 V HA 0.619 4.739 4.120 -0.000 0.000 0.303 99 V C -0.317 175.925 176.094 0.247 0.000 1.041 99 V CA -0.834 61.644 62.300 0.296 0.000 0.907 99 V CB 1.674 33.632 31.823 0.224 0.000 0.994 99 V HN 0.800 nan 8.190 nan 0.000 0.442 100 I N 3.613 124.327 120.570 0.240 0.000 2.582 100 I HA 0.492 4.662 4.170 -0.000 0.000 0.292 100 I C -0.888 175.352 176.117 0.205 0.000 1.066 100 I CA -0.878 60.505 61.300 0.139 0.000 1.053 100 I CB 2.413 40.402 38.000 -0.019 0.000 1.241 100 I HN 0.258 nan 8.210 nan 0.000 0.421 101 V N 6.087 126.086 119.914 0.141 0.000 2.398 101 V HA 0.431 4.551 4.120 -0.000 0.000 0.286 101 V C -0.143 176.023 176.094 0.120 0.000 1.026 101 V CA -0.528 61.853 62.300 0.136 0.000 0.868 101 V CB 1.706 33.587 31.823 0.097 0.000 0.982 101 V HN 0.601 nan 8.190 nan 0.000 0.443 102 K N 3.481 123.974 120.400 0.154 0.000 2.668 102 K HA 0.544 4.864 4.320 -0.000 0.000 0.246 102 K C 0.553 177.207 176.600 0.089 0.000 0.976 102 K CA 0.440 56.797 56.287 0.117 0.000 0.902 102 K CB 1.355 33.933 32.500 0.131 0.000 1.172 102 K HN 0.944 nan 8.250 nan 0.000 0.452 103 G N 3.771 112.597 108.800 0.044 0.000 2.574 103 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.301 103 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.301 103 G C 0.072 174.974 174.900 0.003 0.000 1.166 103 G CA 0.545 45.657 45.100 0.019 0.000 0.971 103 G HN 0.752 nan 8.290 nan 0.000 0.542 104 N N 1.244 119.933 118.700 -0.019 0.000 2.275 104 N HA 0.260 5.000 4.740 -0.000 0.000 0.236 104 N C 0.133 175.584 175.510 -0.098 0.000 1.154 104 N CA 0.291 53.309 53.050 -0.054 0.000 0.866 104 N CB 0.582 39.031 38.487 -0.064 0.000 1.093 104 N HN 0.719 nan 8.380 nan 0.000 0.515 105 K N 0.283 120.636 120.400 -0.078 0.000 2.281 105 K HA 0.564 4.884 4.320 -0.000 0.000 0.242 105 K C -0.894 175.624 176.600 -0.136 0.000 0.971 105 K CA -0.682 55.498 56.287 -0.178 0.000 0.834 105 K CB 2.257 34.617 32.500 -0.233 0.000 1.181 105 K HN -0.017 nan 8.250 nan 0.000 0.435 106 L N 2.827 123.897 121.223 -0.255 0.000 2.343 106 L HA 0.408 4.748 4.340 -0.000 0.000 0.278 106 L C -1.321 175.492 176.870 -0.095 0.000 0.996 106 L CA -0.748 54.048 54.840 -0.074 0.000 0.831 106 L CB 0.839 42.870 42.059 -0.048 0.000 1.232 106 L HN 0.525 nan 8.230 nan 0.000 0.413 107 Y N 2.976 123.374 120.300 0.163 0.000 2.367 107 Y HA 0.498 5.048 4.550 -0.000 0.000 0.342 107 Y C -0.021 176.069 175.900 0.315 0.000 0.979 107 Y CA -0.765 57.481 58.100 0.244 0.000 1.161 107 Y CB 1.564 40.184 38.460 0.266 0.000 1.155 107 Y HN 0.171 nan 8.280 nan 0.000 0.503 108 V N 5.676 125.826 119.914 0.393 0.000 2.444 108 V HA 0.324 4.444 4.120 -0.000 0.000 0.294 108 V C -0.807 175.379 176.094 0.153 0.000 1.022 108 V CA -0.829 61.645 62.300 0.290 0.000 0.850 108 V CB 1.762 33.724 31.823 0.231 0.000 0.992 108 V HN 0.503 nan 8.190 nan 0.000 0.426 109 L N 7.516 128.757 121.223 0.030 0.000 2.296 109 L HA 0.854 5.193 4.340 -0.000 0.000 0.286 109 L C -0.379 176.359 176.870 -0.219 0.000 1.023 109 L CA -0.011 54.702 54.840 -0.212 0.000 0.812 109 L CB 1.576 43.263 42.059 -0.621 0.000 1.223 109 L HN 0.610 nan 8.230 nan 0.000 0.421 110 V N 1.886 121.657 119.914 -0.239 0.000 2.971 110 V HA 0.951 5.071 4.120 -0.000 0.000 0.309 110 V C 0.166 176.076 176.094 -0.307 0.000 1.130 110 V CA -0.318 61.841 62.300 -0.234 0.000 0.964 110 V CB 1.199 32.925 31.823 -0.161 0.000 1.029 110 V HN 0.856 nan 8.190 nan 0.000 0.427 111 G N 0.855 109.492 108.800 -0.272 0.000 2.539 111 G HA2 0.530 4.490 3.960 -0.000 0.000 0.258 111 G HA3 0.530 4.490 3.960 -0.000 0.000 0.258 111 G C -0.358 174.415 174.900 -0.213 0.000 1.202 111 G CA 0.011 44.941 45.100 -0.283 0.000 0.851 111 G HN 1.310 nan 8.290 nan 0.000 0.556 112 S N -0.094 115.359 115.700 -0.412 0.000 2.614 112 S HA 0.667 5.137 4.470 -0.000 0.000 0.288 112 S C -1.658 172.692 174.600 -0.418 0.000 1.137 112 S CA -0.617 57.414 58.200 -0.283 0.000 0.992 112 S CB 0.651 63.660 63.200 -0.318 0.000 1.026 112 S HN 0.431 nan 8.310 nan 0.000 0.486 113 Y N 3.265 123.527 120.300 -0.064 0.000 2.442 113 Y HA 0.490 5.039 4.550 -0.000 0.000 0.344 113 Y C 1.043 176.946 175.900 0.004 0.000 0.976 113 Y CA -0.917 57.190 58.100 0.013 0.000 1.040 113 Y CB 1.779 40.277 38.460 0.064 0.000 1.228 113 Y HN 0.583 nan 8.280 nan 0.000 0.451 114 N N 0.272 119.055 118.700 0.138 0.000 2.420 114 N HA -0.030 4.710 4.740 -0.000 0.000 0.185 114 N C 0.624 176.186 175.510 0.086 0.000 1.033 114 N CA 1.331 54.428 53.050 0.079 0.000 0.879 114 N CB 0.158 38.668 38.487 0.038 0.000 1.071 114 N HN 0.568 nan 8.380 nan 0.000 0.437 115 S N -1.217 114.542 115.700 0.098 0.000 3.067 115 S HA 0.216 4.686 4.470 -0.000 0.000 0.253 115 S C 0.111 174.748 174.600 0.062 0.000 0.942 115 S CA -0.688 57.553 58.200 0.068 0.000 1.197 115 S CB -0.156 63.068 63.200 0.040 0.000 1.143 115 S HN 0.103 nan 8.310 nan 0.000 0.638 116 S N 1.669 117.428 115.700 0.099 0.000 2.600 116 S HA 0.561 5.031 4.470 -0.000 0.000 0.265 116 S C 0.539 175.160 174.600 0.036 0.000 1.325 116 S CA -0.727 57.501 58.200 0.046 0.000 1.002 116 S CB 1.150 64.379 63.200 0.048 0.000 0.921 116 S HN 0.414 nan 8.310 nan 0.000 0.554 117 R N -0.330 120.178 120.500 0.014 0.000 2.541 117 R HA 0.213 4.553 4.340 -0.000 0.000 0.332 117 R C -0.132 176.151 176.300 -0.029 0.000 0.951 117 R CA 0.123 56.229 56.100 0.010 0.000 1.136 117 R CB 0.776 31.101 30.300 0.041 0.000 1.449 117 R HN 0.794 nan 8.270 nan 0.000 0.531 118 S N -0.978 114.731 115.700 0.016 0.000 2.593 118 S HA 0.388 4.858 4.470 -0.000 0.000 0.297 118 S C -0.203 174.446 174.600 0.081 0.000 1.112 118 S CA -0.795 57.400 58.200 -0.008 0.000 1.043 118 S CB 0.798 64.046 63.200 0.080 0.000 1.054 118 S HN 0.105 nan 8.310 nan 0.000 0.516 119 Y N 2.377 122.695 120.300 0.030 0.000 2.712 119 Y HA -0.058 4.492 4.550 -0.000 0.000 0.333 119 Y C 1.712 177.483 175.900 -0.214 0.000 1.225 119 Y CA -0.229 57.821 58.100 -0.083 0.000 1.499 119 Y CB 0.416 38.817 38.460 -0.097 0.000 1.288 119 Y HN 0.903 nan 8.280 nan 0.000 0.575 120 W N 1.917 123.020 121.300 -0.328 0.000 2.331 120 W HA -0.228 4.432 4.660 -0.000 0.000 0.291 120 W C 1.362 177.670 176.519 -0.351 0.000 1.214 120 W CA 1.730 58.697 57.345 -0.629 0.000 1.228 120 W CB -1.750 27.495 29.460 -0.359 0.000 1.135 120 W HN 0.619 nan 8.180 nan 0.000 0.537 121 T N -0.517 113.528 114.554 -0.848 0.000 2.929 121 T HA -0.136 4.214 4.350 -0.000 0.000 0.271 121 T C 1.700 176.226 174.700 -0.291 0.000 1.085 121 T CA 1.698 63.357 62.100 -0.736 0.000 1.125 121 T CB -0.728 67.757 68.868 -0.637 0.000 0.874 121 T HN 0.169 nan 8.240 nan 0.000 0.494 122 S N 0.025 115.658 115.700 -0.111 0.000 2.501 122 S HA 0.100 4.570 4.470 -0.000 0.000 0.220 122 S C 0.296 174.999 174.600 0.170 0.000 0.997 122 S CA -0.354 57.877 58.200 0.051 0.000 0.919 122 S CB -0.257 63.019 63.200 0.126 0.000 0.778 122 S HN 0.594 nan 8.310 nan 0.000 0.523 123 H N 1.154 120.239 119.070 0.023 0.000 2.972 123 H HA 0.265 4.821 4.556 -0.000 0.000 0.343 123 H C 1.452 176.795 175.328 0.025 0.000 1.054 123 H CA 0.083 56.162 56.048 0.053 0.000 1.412 123 H CB 0.153 29.986 29.762 0.118 0.000 1.385 123 H HN 0.247 nan 8.280 nan 0.000 0.600 124 G N 1.452 110.335 108.800 0.139 0.000 2.986 124 G HA2 0.100 4.059 3.960 -0.000 0.000 0.213 124 G HA3 0.100 4.059 3.960 -0.000 0.000 0.213 124 G C -0.302 174.640 174.900 0.070 0.000 1.156 124 G CA 0.300 45.445 45.100 0.074 0.000 0.763 124 G HN 0.731 nan 8.290 nan 0.000 0.547 125 D N -2.737 117.722 120.400 0.098 0.000 2.626 125 D HA 0.577 5.217 4.640 -0.000 0.000 0.278 125 D C -0.061 176.320 176.300 0.134 0.000 1.211 125 D CA -0.462 53.592 54.000 0.089 0.000 0.903 125 D CB 1.159 41.996 40.800 0.062 0.000 1.408 125 D HN -0.047 nan 8.370 nan 0.000 0.454 126 A N -0.326 122.577 122.820 0.138 0.000 2.676 126 A HA 0.276 4.596 4.320 -0.000 0.000 0.297 126 A C 1.048 178.781 177.584 0.249 0.000 1.132 126 A CA -0.490 51.668 52.037 0.202 0.000 0.972 126 A CB -0.312 18.792 19.000 0.173 0.000 1.197 126 A HN 0.446 nan 8.150 nan 0.000 0.524 127 R N -0.384 120.218 120.500 0.169 0.000 2.236 127 R HA -0.060 4.280 4.340 -0.000 0.000 0.208 127 R C 0.784 177.160 176.300 0.126 0.000 1.036 127 R CA 1.368 57.547 56.100 0.131 0.000 1.001 127 R CB 0.066 30.414 30.300 0.079 0.000 0.896 127 R HN 0.528 nan 8.270 nan 0.000 0.464 128 D N -1.026 119.474 120.400 0.166 0.000 2.363 128 D HA -0.028 4.612 4.640 -0.000 0.000 0.214 128 D C -0.584 175.781 176.300 0.109 0.000 1.093 128 D CA -0.199 53.891 54.000 0.151 0.000 0.837 128 D CB 0.334 41.245 40.800 0.185 0.000 0.948 128 D HN 0.097 nan 8.370 nan 0.000 0.507 129 W N 0.690 121.900 121.300 -0.150 0.000 2.689 129 W HA 0.564 5.223 4.660 -0.000 0.000 0.340 129 W C -1.240 175.087 176.519 -0.319 0.000 1.060 129 W CA -0.685 56.400 57.345 -0.433 0.000 1.218 129 W CB 1.354 30.626 29.460 -0.314 0.000 1.410 129 W HN -0.295 nan 8.180 nan 0.000 0.528 130 D N 3.411 122.989 120.400 -1.370 0.000 2.579 130 D HA 0.410 5.050 4.640 -0.000 0.000 0.257 130 D C -1.960 173.370 176.300 -1.617 0.000 1.176 130 D CA -0.640 52.523 54.000 -1.395 0.000 0.914 130 D CB 2.319 42.722 40.800 -0.661 0.000 1.431 130 D HN 0.339 nan 8.370 nan 0.000 0.454 131 I N 2.090 121.947 120.570 -1.189 0.000 2.468 131 I HA 0.429 4.598 4.170 -0.000 0.000 0.285 131 I C -1.567 174.243 176.117 -0.512 0.000 1.039 131 I CA -0.343 60.428 61.300 -0.882 0.000 1.074 131 I CB 0.919 38.317 38.000 -1.004 0.000 1.228 131 I HN 0.319 nan 8.210 nan 0.000 0.436 132 L N 6.879 127.860 121.223 -0.402 0.000 2.323 132 L HA 0.694 5.034 4.340 -0.000 0.000 0.265 132 L C -1.244 175.525 176.870 -0.170 0.000 1.012 132 L CA -1.131 53.566 54.840 -0.238 0.000 0.820 132 L CB 1.992 43.934 42.059 -0.194 0.000 1.334 132 L HN 0.472 nan 8.230 nan 0.000 0.427 133 L N 1.657 122.843 121.223 -0.063 0.000 2.385 133 L HA 0.888 5.228 4.340 -0.000 0.000 0.273 133 L C -0.779 176.151 176.870 0.100 0.000 0.990 133 L CA -0.101 54.760 54.840 0.035 0.000 0.821 133 L CB 1.707 43.827 42.059 0.101 0.000 1.279 133 L HN 0.735 nan 8.230 nan 0.000 0.412 134 A N 4.441 127.347 122.820 0.143 0.000 2.365 134 A HA 0.847 5.167 4.320 -0.000 0.000 0.318 134 A C -1.494 176.218 177.584 0.214 0.000 1.091 134 A CA -0.579 51.566 52.037 0.181 0.000 0.763 134 A CB 1.818 20.931 19.000 0.190 0.000 1.248 134 A HN 0.479 nan 8.150 nan 0.000 0.442 135 V N 1.638 121.629 119.914 0.127 0.000 2.409 135 V HA 0.668 4.788 4.120 -0.000 0.000 0.291 135 V C 0.681 176.667 176.094 -0.181 0.000 1.020 135 V CA -0.103 62.139 62.300 -0.097 0.000 0.848 135 V CB 1.677 33.371 31.823 -0.215 0.000 0.990 135 V HN 1.170 nan 8.190 nan 0.000 0.430 136 G N 3.034 111.517 108.800 -0.529 0.000 2.372 136 G HA2 0.630 4.590 3.960 -0.000 0.000 0.323 136 G HA3 0.630 4.590 3.960 -0.000 0.000 0.323 136 G C -0.903 173.549 174.900 -0.746 0.000 1.152 136 G CA -0.359 44.045 45.100 -1.160 0.000 0.906 136 G HN 0.683 nan 8.290 nan 0.000 0.460 137 E N 1.471 121.311 120.200 -0.600 0.000 2.166 137 E HA 0.480 4.830 4.350 -0.000 0.000 0.275 137 E C -0.809 175.578 176.600 -0.356 0.000 0.941 137 E CA -0.599 55.571 56.400 -0.384 0.000 0.784 137 E CB 1.769 31.314 29.700 -0.259 0.000 1.115 137 E HN 0.207 nan 8.360 nan 0.000 0.399 138 V N 4.139 123.890 119.914 -0.270 0.000 2.370 138 V HA 0.362 4.482 4.120 -0.000 0.000 0.283 138 V C 0.128 176.132 176.094 -0.151 0.000 1.023 138 V CA -0.519 61.646 62.300 -0.225 0.000 0.857 138 V CB 1.209 32.920 31.823 -0.187 0.000 0.985 138 V HN 0.807 nan 8.190 nan 0.000 0.443 139 T N 2.835 117.308 114.554 -0.135 0.000 2.861 139 T HA 0.615 4.965 4.350 -0.000 0.000 0.287 139 T C -0.763 173.899 174.700 -0.064 0.000 1.003 139 T CA -0.867 61.180 62.100 -0.088 0.000 0.977 139 T CB 1.701 70.522 68.868 -0.078 0.000 0.996 139 T HN 0.530 nan 8.240 nan 0.000 0.448 140 K N 2.037 122.409 120.400 -0.045 0.000 2.164 140 K HA 0.711 5.031 4.320 -0.000 0.000 0.258 140 K C -0.631 175.956 176.600 -0.022 0.000 0.951 140 K CA -0.790 55.480 56.287 -0.028 0.000 0.844 140 K CB 1.992 34.477 32.500 -0.026 0.000 1.099 140 K HN 0.652 nan 8.250 nan 0.000 0.435 141 S N -0.408 115.284 115.700 -0.014 0.000 2.618 141 S HA 0.345 4.815 4.470 -0.000 0.000 0.277 141 S C -0.146 174.448 174.600 -0.009 0.000 1.138 141 S CA -0.569 57.624 58.200 -0.011 0.000 0.844 141 S CB 1.514 64.709 63.200 -0.009 0.000 1.127 141 S HN 0.705 nan 8.310 nan 0.000 0.474 142 T N -0.338 114.210 114.554 -0.010 0.000 3.182 142 T HA 0.469 4.819 4.350 -0.000 0.000 0.277 142 T C 0.436 175.131 174.700 -0.008 0.000 1.013 142 T CA 0.251 62.345 62.100 -0.010 0.000 0.900 142 T CB -0.055 68.806 68.868 -0.011 0.000 1.098 142 T HN 0.828 nan 8.240 nan 0.000 0.543 143 A N 0.895 123.711 122.820 -0.006 0.000 2.701 143 A HA 0.511 4.831 4.320 -0.000 0.000 0.290 143 A C 1.611 179.192 177.584 -0.005 0.000 1.534 143 A CA 0.405 52.439 52.037 -0.005 0.000 1.137 143 A CB -1.510 17.488 19.000 -0.002 0.000 1.032 143 A HN 1.569 nan 8.150 nan 0.000 0.580 144 G N 0.051 108.847 108.800 -0.007 0.000 2.370 144 G HA2 0.315 4.275 3.960 -0.000 0.000 0.174 144 G HA3 0.315 4.275 3.960 -0.000 0.000 0.174 144 G C 1.290 176.184 174.900 -0.009 0.000 1.002 144 G CA 0.778 45.873 45.100 -0.007 0.000 0.730 144 G HN 2.394 nan 8.290 nan 0.000 0.497 145 G N -0.019 108.775 108.800 -0.009 0.000 2.317 145 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.227 145 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.227 145 G C 0.533 175.425 174.900 -0.013 0.000 1.042 145 G CA 1.112 46.206 45.100 -0.010 0.000 0.623 145 G HN 1.648 nan 8.290 nan 0.000 0.509 146 K N 1.532 121.923 120.400 -0.014 0.000 2.166 146 K HA 0.719 5.039 4.320 -0.000 0.000 0.245 146 K C 0.277 176.866 176.600 -0.018 0.000 0.967 146 K CA -1.189 55.087 56.287 -0.018 0.000 0.863 146 K CB 1.765 34.253 32.500 -0.021 0.000 1.107 146 K HN 0.291 nan 8.250 nan 0.000 0.436 147 I N 2.374 122.930 120.570 -0.022 0.000 2.588 147 I HA 0.068 4.238 4.170 -0.000 0.000 0.283 147 I C 0.782 176.888 176.117 -0.018 0.000 1.119 147 I CA 0.073 61.361 61.300 -0.021 0.000 1.419 147 I CB 0.176 38.160 38.000 -0.026 0.000 1.394 147 I HN 0.856 nan 8.210 nan 0.000 0.562 148 T N 2.065 116.615 114.554 -0.006 0.000 2.858 148 T HA 0.933 5.283 4.350 -0.000 0.000 0.285 148 T C -0.544 174.174 174.700 0.029 0.000 1.052 148 T CA -0.885 61.221 62.100 0.011 0.000 1.009 148 T CB 2.467 71.345 68.868 0.016 0.000 1.241 148 T HN 0.907 nan 8.240 nan 0.000 0.542 149 A N 0.510 123.376 122.820 0.077 0.000 2.605 149 A HA 0.832 5.152 4.320 -0.000 0.000 0.294 149 A C -0.501 177.159 177.584 0.127 0.000 1.062 149 A CA -0.446 51.638 52.037 0.079 0.000 0.682 149 A CB 1.116 20.172 19.000 0.094 0.000 1.278 149 A HN 1.873 nan 8.150 nan 0.000 0.410 150 S N 0.029 115.711 115.700 -0.031 0.000 2.651 150 S HA 0.892 5.362 4.470 -0.000 0.000 0.279 150 S C -1.047 173.371 174.600 -0.304 0.000 1.148 150 S CA -0.679 57.448 58.200 -0.122 0.000 0.837 150 S CB 1.352 64.540 63.200 -0.020 0.000 1.138 150 S HN 0.999 nan 8.310 nan 0.000 0.478 151 I N 0.912 121.263 120.570 -0.364 0.000 2.512 151 I HA 0.471 4.641 4.170 -0.000 0.000 0.287 151 I C -1.072 174.854 176.117 -0.318 0.000 1.069 151 I CA -0.727 60.323 61.300 -0.417 0.000 1.056 151 I CB 2.191 39.865 38.000 -0.544 0.000 1.229 151 I HN 0.522 nan 8.210 nan 0.000 0.429 152 K N 5.877 126.065 120.400 -0.353 0.000 2.240 152 K HA 0.403 4.723 4.320 -0.000 0.000 0.271 152 K C -1.824 174.578 176.600 -0.331 0.000 1.018 152 K CA -0.280 55.876 56.287 -0.220 0.000 0.874 152 K CB 0.660 33.079 32.500 -0.135 0.000 1.098 152 K HN 0.378 nan 8.250 nan 0.000 0.458 153 W N 3.044 124.319 121.300 -0.042 0.000 2.391 153 W HA 0.484 5.144 4.660 -0.000 0.000 0.311 153 W C 0.910 177.413 176.519 -0.027 0.000 1.087 153 W CA -0.693 56.630 57.345 -0.036 0.000 1.209 153 W CB 1.680 31.128 29.460 -0.020 0.000 1.273 153 W HN 0.767 nan 8.180 nan 0.000 0.482 154 G N 1.370 110.277 108.800 0.178 0.000 2.562 154 G HA2 0.350 4.310 3.960 -0.000 0.000 0.275 154 G HA3 0.350 4.310 3.960 -0.000 0.000 0.275 154 G C -0.280 174.694 174.900 0.124 0.000 1.196 154 G CA -0.666 44.500 45.100 0.109 0.000 0.908 154 G HN 0.379 nan 8.290 nan 0.000 0.524 155 S N 1.012 116.758 115.700 0.077 0.000 2.572 155 S HA 0.312 4.782 4.470 -0.000 0.000 0.279 155 S C -1.940 172.695 174.600 0.059 0.000 1.341 155 S CA -0.469 57.765 58.200 0.057 0.000 1.043 155 S CB 0.935 64.157 63.200 0.036 0.000 0.887 155 S HN 0.405 nan 8.310 nan 0.000 0.516 156 P HA 0.335 nan 4.420 nan 0.000 0.275 156 P C -1.221 176.090 177.300 0.019 0.000 1.228 156 P CA -0.381 62.733 63.100 0.025 0.000 0.786 156 P CB 0.498 32.187 31.700 -0.018 0.000 0.927 157 V N 1.613 121.548 119.914 0.034 0.000 2.680 157 V HA 0.381 4.501 4.120 -0.000 0.000 0.309 157 V C 0.252 176.356 176.094 0.015 0.000 1.052 157 V CA -0.611 61.715 62.300 0.044 0.000 0.908 157 V CB 1.948 33.834 31.823 0.105 0.000 1.001 157 V HN 0.638 nan 8.190 nan 0.000 0.431 158 S N 4.181 119.877 115.700 -0.007 0.000 2.565 158 S HA 0.437 4.907 4.470 -0.000 0.000 0.274 158 S C 0.349 174.970 174.600 0.035 0.000 1.309 158 S CA -0.440 57.727 58.200 -0.054 0.000 1.043 158 S CB 0.464 63.609 63.200 -0.092 0.000 0.939 158 S HN 0.609 nan 8.310 nan 0.000 0.504 159 L N 4.473 125.716 121.223 0.033 0.000 2.769 159 L HA 0.294 4.634 4.340 -0.000 0.000 0.240 159 L C 2.105 179.151 176.870 0.293 0.000 1.163 159 L CA -0.124 54.874 54.840 0.264 0.000 0.962 159 L CB -0.217 41.975 42.059 0.223 0.000 1.258 159 L HN 0.760 nan 8.230 nan 0.000 0.513 160 K N 1.772 122.231 120.400 0.098 0.000 2.103 160 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 160 K C 1.801 178.501 176.600 0.167 0.000 1.048 160 K CA 1.907 58.296 56.287 0.171 0.000 0.930 160 K CB 0.156 32.686 32.500 0.050 0.000 0.716 160 K HN 0.533 nan 8.250 nan 0.000 0.444 161 E N -0.498 119.648 120.200 -0.090 0.000 2.331 161 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 161 E C 0.946 177.386 176.600 -0.266 0.000 1.008 161 E CA 1.072 57.318 56.400 -0.256 0.000 0.843 161 E CB -0.346 29.084 29.700 -0.451 0.000 0.761 161 E HN 0.407 nan 8.360 nan 0.000 0.507 162 F N -0.103 120.065 119.950 0.363 0.000 2.727 162 F HA 0.212 4.739 4.527 -0.000 0.000 0.302 162 F C 0.462 176.624 175.800 0.604 0.000 1.097 162 F CA -0.614 57.652 58.000 0.443 0.000 1.330 162 F CB 0.341 39.632 39.000 0.484 0.000 1.084 162 F HN -0.043 nan 8.300 nan 0.000 0.578 163 F N 4.749 124.965 119.950 0.444 0.000 2.335 163 F HA 0.457 4.984 4.527 -0.000 0.000 0.365 163 F C -2.289 173.605 175.800 0.157 0.000 1.122 163 F CA -4.450 53.744 58.000 0.324 0.000 1.151 163 F CB -0.081 39.158 39.000 0.398 0.000 1.282 163 F HN -0.205 nan 8.300 nan 0.000 0.513 164 P HA 0.225 nan 4.420 nan 0.000 0.271 164 P C 0.081 177.132 177.300 -0.416 0.000 1.216 164 P CA -0.171 62.826 63.100 -0.171 0.000 0.776 164 P CB 1.049 32.673 31.700 -0.126 0.000 0.881 165 A N 2.316 124.987 122.820 -0.248 0.000 2.119 165 A HA -0.056 4.263 4.320 -0.000 0.000 0.217 165 A C 0.648 178.107 177.584 -0.207 0.000 1.153 165 A CA 1.129 53.031 52.037 -0.227 0.000 0.692 165 A CB -0.390 18.566 19.000 -0.074 0.000 0.799 165 A HN 0.685 nan 8.150 nan 0.000 0.458 166 E N -1.546 118.523 120.200 -0.218 0.000 2.340 166 E HA 0.686 5.036 4.350 -0.000 0.000 0.273 166 E C -1.344 175.123 176.600 -0.221 0.000 0.891 166 E CA -0.475 55.778 56.400 -0.244 0.000 0.757 166 E CB 1.965 31.517 29.700 -0.247 0.000 1.231 166 E HN 0.303 nan 8.360 nan 0.000 0.439 167 M N 1.343 120.816 119.600 -0.212 0.000 2.550 167 M HA 0.269 4.749 4.480 -0.000 0.000 0.292 167 M C 0.017 176.212 176.300 -0.175 0.000 1.221 167 M CA -0.484 54.713 55.300 -0.172 0.000 0.873 167 M CB 2.298 34.806 32.600 -0.154 0.000 1.727 167 M HN 0.541 nan 8.290 nan 0.000 0.459 168 E N 0.817 120.928 120.200 -0.149 0.000 3.586 168 E HA -0.278 4.072 4.350 -0.000 0.000 0.433 168 E C 0.727 177.241 176.600 -0.144 0.000 1.629 168 E CA 1.937 58.252 56.400 -0.141 0.000 1.590 168 E CB -0.834 28.765 29.700 -0.168 0.000 1.485 168 E HN 0.969 nan 8.360 nan 0.000 0.412 169 G N 0.455 109.177 108.800 -0.129 0.000 4.125 169 G HA2 0.481 4.441 3.960 -0.000 0.000 0.301 169 G HA3 0.481 4.441 3.960 -0.000 0.000 0.301 169 G C -0.388 174.445 174.900 -0.112 0.000 1.273 169 G CA -0.154 44.879 45.100 -0.111 0.000 1.095 169 G HN 0.089 nan 8.290 nan 0.000 0.582 170 M N -0.318 119.178 119.600 -0.174 0.000 2.658 170 M HA 0.483 4.963 4.480 -0.000 0.000 0.295 170 M C -1.102 175.033 176.300 -0.277 0.000 1.248 170 M CA -0.983 54.241 55.300 -0.127 0.000 0.843 170 M CB 2.206 34.771 32.600 -0.059 0.000 1.749 170 M HN -0.062 nan 8.290 nan 0.000 0.464 171 H N 0.860 119.910 119.070 -0.033 0.000 2.466 171 H HA 0.363 4.918 4.556 -0.000 0.000 0.338 171 H C -0.472 174.829 175.328 -0.045 0.000 1.091 171 H CA -0.330 55.687 56.048 -0.053 0.000 1.207 171 H CB 1.783 31.519 29.762 -0.042 0.000 1.466 171 H HN 0.756 nan 8.280 nan 0.000 0.493 172 T N 0.098 114.627 114.554 -0.042 0.000 2.898 172 T HA 0.028 4.378 4.350 -0.000 0.000 0.301 172 T C 0.853 175.558 174.700 0.008 0.000 1.049 172 T CA -0.341 61.711 62.100 -0.080 0.000 1.095 172 T CB 1.619 70.188 68.868 -0.498 0.000 0.976 172 T HN 0.556 nan 8.240 nan 0.000 0.539 173 N N 1.139 119.914 118.700 0.125 0.000 2.905 173 N HA 0.183 4.923 4.740 -0.000 0.000 0.237 173 N C -0.095 175.435 175.510 0.034 0.000 1.017 173 N CA 0.253 53.357 53.050 0.090 0.000 1.127 173 N CB 0.761 39.279 38.487 0.053 0.000 1.608 173 N HN 0.822 nan 8.380 nan 0.000 0.522 174 Q N -1.175 118.587 119.800 -0.063 0.000 2.615 174 Q HA 0.431 4.771 4.340 -0.000 0.000 0.298 174 Q C -1.545 174.310 176.000 -0.241 0.000 1.023 174 Q CA -0.955 54.438 55.803 -0.684 0.000 0.768 174 Q CB 2.844 31.109 28.738 -0.790 0.000 1.500 174 Q HN 0.303 nan 8.270 nan 0.000 0.441 175 F N -1.144 118.447 119.950 -0.598 0.000 2.668 175 F HA 0.825 5.351 4.527 -0.000 0.000 0.309 175 F C -2.225 173.445 175.800 -0.218 0.000 1.117 175 F CA -0.976 56.843 58.000 -0.302 0.000 0.951 175 F CB 1.482 40.274 39.000 -0.347 0.000 1.323 175 F HN 0.414 nan 8.300 nan 0.000 0.451 176 L N 1.678 122.693 121.223 -0.347 0.000 2.469 176 L HA 0.689 5.029 4.340 -0.000 0.000 0.256 176 L C 0.248 176.961 176.870 -0.261 0.000 1.006 176 L CA -1.172 53.382 54.840 -0.476 0.000 0.832 176 L CB 2.183 43.849 42.059 -0.655 0.000 1.421 176 L HN 1.065 nan 8.230 nan 0.000 0.410 177 G N -0.484 108.155 108.800 -0.269 0.000 2.667 177 G HA2 0.347 4.307 3.960 -0.000 0.000 0.250 177 G HA3 0.347 4.307 3.960 -0.000 0.000 0.250 177 G C 0.833 175.720 174.900 -0.022 0.000 1.212 177 G CA 0.261 45.286 45.100 -0.126 0.000 0.874 177 G HN 0.858 nan 8.290 nan 0.000 0.561 178 G N -1.139 107.709 108.800 0.080 0.000 2.985 178 G HA2 0.534 4.494 3.960 -0.000 0.000 0.209 178 G HA3 0.534 4.494 3.960 -0.000 0.000 0.209 178 G C 0.782 175.725 174.900 0.071 0.000 1.165 178 G CA 1.188 46.350 45.100 0.103 0.000 0.776 178 G HN 2.133 nan 8.290 nan 0.000 0.541 179 A N -2.650 120.206 122.820 0.060 0.000 2.437 179 A HA 0.479 4.799 4.320 -0.000 0.000 0.686 179 A C 1.273 178.904 177.584 0.079 0.000 0.140 179 A CA 0.520 52.587 52.037 0.049 0.000 0.026 179 A CB -1.051 17.956 19.000 0.012 0.000 3.974 179 A HN 2.410 nan 8.150 nan 0.000 0.548 180 G N -1.137 107.711 108.800 0.080 0.000 2.509 180 G HA2 0.254 4.214 3.960 -0.000 0.000 0.259 180 G HA3 0.254 4.214 3.960 -0.000 0.000 0.259 180 G C 0.260 175.243 174.900 0.140 0.000 1.169 180 G CA 0.476 45.635 45.100 0.098 0.000 0.953 180 G HN 2.352 nan 8.290 nan 0.000 0.563 181 V N 1.030 121.032 119.914 0.147 0.000 2.540 181 V HA 0.791 4.911 4.120 -0.000 0.000 0.302 181 V C 0.896 177.085 176.094 0.158 0.000 1.035 181 V CA 0.383 62.778 62.300 0.158 0.000 0.873 181 V CB 0.879 32.787 31.823 0.142 0.000 0.992 181 V HN 1.920 nan 8.190 nan 0.000 0.428 182 A N 5.179 128.087 122.820 0.147 0.000 3.200 182 A HA 1.022 5.342 4.320 -0.000 0.000 0.208 182 A C -0.414 177.195 177.584 0.041 0.000 1.360 182 A CA -0.549 51.551 52.037 0.105 0.000 0.892 182 A CB 1.188 20.241 19.000 0.089 0.000 1.600 182 A HN 1.090 nan 8.150 nan 0.000 0.501 183 I N -3.434 117.127 120.570 -0.016 0.000 3.191 183 I HA 0.735 4.905 4.170 -0.000 0.000 0.313 183 I C -1.425 174.653 176.117 -0.065 0.000 1.193 183 I CA -1.122 60.167 61.300 -0.018 0.000 0.968 183 I CB 2.000 40.006 38.000 0.011 0.000 1.262 183 I HN 0.263 nan 8.210 nan 0.000 0.456 184 V N 3.152 123.038 119.914 -0.046 0.000 2.394 184 V HA 0.687 4.807 4.120 -0.000 0.000 0.282 184 V C 0.837 176.902 176.094 -0.048 0.000 1.031 184 V CA -0.244 62.016 62.300 -0.067 0.000 0.881 184 V CB 1.075 32.862 31.823 -0.059 0.000 0.982 184 V HN 0.947 nan 8.190 nan 0.000 0.451 185 A N 3.689 126.473 122.820 -0.060 0.000 2.296 185 A HA 0.418 4.737 4.320 -0.000 0.000 0.264 185 A C 1.485 179.040 177.584 -0.048 0.000 1.097 185 A CA 0.363 52.370 52.037 -0.051 0.000 0.811 185 A CB 0.338 19.298 19.000 -0.065 0.000 1.072 185 A HN 1.197 nan 8.150 nan 0.000 0.495 186 S N -0.073 115.601 115.700 -0.043 0.000 2.603 186 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 186 S C 0.824 175.397 174.600 -0.045 0.000 0.972 186 S CA 1.005 59.181 58.200 -0.041 0.000 0.935 186 S CB -0.518 62.658 63.200 -0.039 0.000 0.769 186 S HN 0.864 nan 8.310 nan 0.000 0.536 187 N N 0.399 119.067 118.700 -0.053 0.000 2.230 187 N HA 0.281 5.020 4.740 -0.000 0.000 0.202 187 N C 1.211 176.685 175.510 -0.060 0.000 1.119 187 N CA 0.564 53.582 53.050 -0.054 0.000 0.851 187 N CB -0.043 38.409 38.487 -0.058 0.000 0.990 187 N HN 0.528 nan 8.380 nan 0.000 0.497 188 G N -0.010 108.751 108.800 -0.065 0.000 2.254 188 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.225 188 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.225 188 G C -0.290 174.546 174.900 -0.107 0.000 1.003 188 G CA -0.213 44.840 45.100 -0.077 0.000 0.622 188 G HN 0.445 nan 8.290 nan 0.000 0.507 189 N N 1.010 119.647 118.700 -0.104 0.000 2.454 189 N HA 0.336 5.076 4.740 -0.000 0.000 0.254 189 N C 0.599 176.020 175.510 -0.148 0.000 1.228 189 N CA 0.141 53.116 53.050 -0.125 0.000 0.900 189 N CB 0.494 38.937 38.487 -0.074 0.000 1.089 189 N HN 0.384 nan 8.380 nan 0.000 0.449 190 L N 1.949 123.037 121.223 -0.224 0.000 2.369 190 L HA 0.197 4.537 4.340 -0.000 0.000 0.279 190 L C -0.343 176.457 176.870 -0.117 0.000 1.108 190 L CA -0.459 54.234 54.840 -0.245 0.000 0.852 190 L CB 0.337 42.167 42.059 -0.381 0.000 1.169 190 L HN 0.118 nan 8.230 nan 0.000 0.452 191 V N 4.686 124.539 119.914 -0.102 0.000 2.384 191 V HA 0.311 4.431 4.120 -0.000 0.000 0.287 191 V C -0.675 175.434 176.094 0.025 0.000 1.020 191 V CA -0.545 61.772 62.300 0.028 0.000 0.850 191 V CB 1.338 33.181 31.823 0.033 0.000 0.987 191 V HN 0.426 nan 8.190 nan 0.000 0.436 192 Y N 6.025 126.494 120.300 0.282 0.000 2.334 192 Y HA 0.431 4.981 4.550 -0.000 0.000 0.336 192 Y C -2.195 173.897 175.900 0.320 0.000 0.960 192 Y CA -2.644 55.634 58.100 0.297 0.000 1.164 192 Y CB 2.474 41.158 38.460 0.374 0.000 1.155 192 Y HN 0.486 nan 8.280 nan 0.000 0.478 193 P HA 0.089 nan 4.420 nan 0.000 0.276 193 P C -0.917 176.599 177.300 0.361 0.000 1.243 193 P CA -0.020 63.311 63.100 0.385 0.000 0.768 193 P CB 0.901 32.791 31.700 0.316 0.000 0.856 194 V N 1.321 121.450 119.914 0.357 0.000 2.960 194 V HA 0.677 4.797 4.120 -0.000 0.000 0.315 194 V C -0.560 175.672 176.094 0.230 0.000 1.087 194 V CA -1.149 61.315 62.300 0.272 0.000 0.982 194 V CB 1.889 33.887 31.823 0.292 0.000 1.039 194 V HN 0.545 nan 8.190 nan 0.000 0.437 195 Q N 1.480 121.386 119.800 0.177 0.000 2.312 195 Q HA 0.876 5.215 4.340 -0.000 0.000 0.263 195 Q C -1.363 174.731 176.000 0.156 0.000 0.995 195 Q CA -0.820 55.080 55.803 0.161 0.000 0.853 195 Q CB 2.262 31.148 28.738 0.246 0.000 1.300 195 Q HN 0.641 nan 8.270 nan 0.000 0.448 196 V N 1.078 120.924 119.914 -0.113 0.000 2.962 196 V HA 0.648 4.768 4.120 -0.000 0.000 0.313 196 V C -0.261 175.579 176.094 -0.423 0.000 1.099 196 V CA -0.743 61.401 62.300 -0.260 0.000 0.971 196 V CB 2.149 33.601 31.823 -0.618 0.000 1.028 196 V HN 1.031 nan 8.190 nan 0.000 0.430 197 T N -0.122 114.367 114.554 -0.108 0.000 2.887 197 T HA 0.689 5.039 4.350 -0.000 0.000 0.288 197 T C -0.574 174.211 174.700 0.142 0.000 1.021 197 T CA -0.828 61.250 62.100 -0.037 0.000 1.000 197 T CB 1.953 70.758 68.868 -0.104 0.000 1.034 197 T HN 0.814 nan 8.240 nan 0.000 0.467 198 N N 0.764 119.595 118.700 0.218 0.000 2.671 198 N HA 0.403 5.143 4.740 -0.000 0.000 0.303 198 N C 0.648 176.206 175.510 0.079 0.000 1.277 198 N CA -1.187 51.974 53.050 0.185 0.000 0.933 198 N CB 0.489 39.102 38.487 0.210 0.000 1.190 198 N HN 0.320 nan 8.380 nan 0.000 0.600 199 K N -0.177 120.267 120.400 0.072 0.000 2.442 199 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 199 K C 0.512 177.116 176.600 0.007 0.000 1.044 199 K CA 0.887 57.197 56.287 0.040 0.000 0.948 199 K CB -0.249 32.278 32.500 0.044 0.000 0.762 199 K HN 0.569 nan 8.250 nan 0.000 0.472 200 K N 0.242 120.635 120.400 -0.012 0.000 2.374 200 K HA 0.092 4.412 4.320 -0.000 0.000 0.196 200 K C -0.090 176.472 176.600 -0.064 0.000 1.023 200 K CA 0.069 56.325 56.287 -0.051 0.000 1.103 200 K CB 0.347 32.791 32.500 -0.093 0.000 0.848 200 K HN -0.003 nan 8.250 nan 0.000 0.528 201 K N 0.171 120.542 120.400 -0.048 0.000 3.379 201 K HA -0.208 4.112 4.320 -0.000 0.000 0.300 201 K C -0.861 175.684 176.600 -0.092 0.000 1.302 201 K CA 0.541 56.785 56.287 -0.072 0.000 0.877 201 K CB -1.501 30.960 32.500 -0.065 0.000 1.343 201 K HN 0.306 nan 8.250 nan 0.000 0.488 202 Q N 0.640 120.390 119.800 -0.082 0.000 2.259 202 Q HA 0.501 4.841 4.340 -0.000 0.000 0.246 202 Q C -0.205 175.873 176.000 0.130 0.000 0.920 202 Q CA -0.461 55.297 55.803 -0.074 0.000 0.895 202 Q CB 2.374 30.868 28.738 -0.407 0.000 1.220 202 Q HN 0.116 nan 8.270 nan 0.000 0.439 203 V N 3.631 123.652 119.914 0.179 0.000 2.732 203 V HA 0.800 4.920 4.120 -0.000 0.000 0.310 203 V C -1.305 175.062 176.094 0.455 0.000 1.053 203 V CA -0.364 62.038 62.300 0.169 0.000 0.957 203 V CB 0.929 32.760 31.823 0.013 0.000 1.018 203 V HN 0.724 nan 8.190 nan 0.000 0.452 204 F N 1.838 121.890 119.950 0.170 0.000 2.741 204 F HA 0.747 5.274 4.527 -0.000 0.000 0.311 204 F C -0.768 175.078 175.800 0.078 0.000 1.149 204 F CA -0.859 57.196 58.000 0.091 0.000 0.930 204 F CB 1.149 40.148 39.000 -0.001 0.000 1.312 204 F HN 0.281 nan 8.300 nan 0.000 0.450 205 S N 1.796 117.589 115.700 0.154 0.000 2.475 205 S HA 0.693 5.163 4.470 -0.000 0.000 0.298 205 S C -0.845 173.821 174.600 0.111 0.000 1.119 205 S CA -0.983 57.305 58.200 0.147 0.000 1.085 205 S CB 1.527 64.888 63.200 0.269 0.000 1.028 205 S HN 0.486 nan 8.310 nan 0.000 0.489 206 K N 1.306 121.876 120.400 0.285 0.000 2.395 206 K HA 0.548 4.868 4.320 -0.000 0.000 0.245 206 K C -1.047 175.918 176.600 0.610 0.000 1.017 206 K CA -0.866 55.676 56.287 0.424 0.000 0.852 206 K CB 1.317 34.099 32.500 0.469 0.000 1.311 206 K HN 0.370 nan 8.250 nan 0.000 0.452 207 I N 1.659 122.635 120.570 0.678 0.000 2.359 207 I HA 0.341 4.511 4.170 -0.000 0.000 0.294 207 I C -0.604 175.856 176.117 0.571 0.000 0.987 207 I CA -0.546 61.092 61.300 0.562 0.000 1.225 207 I CB 0.541 38.813 38.000 0.454 0.000 1.366 207 I HN 0.498 nan 8.210 nan 0.000 0.466 208 F N 9.231 129.364 119.950 0.305 0.000 2.499 208 F HA 0.517 5.044 4.527 -0.000 0.000 0.333 208 F C -1.011 175.027 175.800 0.396 0.000 1.138 208 F CA -0.645 57.414 58.000 0.099 0.000 0.945 208 F CB 0.957 39.928 39.000 -0.049 0.000 1.181 208 F HN 0.436 nan 8.300 nan 0.000 0.435 209 Y N 2.384 122.609 120.300 -0.126 0.000 2.609 209 Y HA 0.777 5.326 4.550 -0.000 0.000 0.342 209 Y C -1.374 174.267 175.900 -0.431 0.000 1.058 209 Y CA -1.767 56.258 58.100 -0.124 0.000 1.055 209 Y CB 1.499 39.909 38.460 -0.083 0.000 1.292 209 Y HN 0.365 nan 8.280 nan 0.000 0.476 210 S N 0.242 115.595 115.700 -0.578 0.000 2.571 210 S HA 0.387 4.856 4.470 -0.000 0.000 0.284 210 S C -0.572 173.723 174.600 -0.508 0.000 1.128 210 S CA -0.597 57.025 58.200 -0.964 0.000 0.970 210 S CB 1.437 63.466 63.200 -1.953 0.000 1.039 210 S HN 0.855 nan 8.310 nan 0.000 0.485 211 E N 1.600 121.565 120.200 -0.393 0.000 2.472 211 E HA 0.077 4.427 4.350 -0.000 0.000 0.196 211 E C -0.477 175.987 176.600 -0.227 0.000 1.033 211 E CA 0.236 56.501 56.400 -0.223 0.000 0.886 211 E CB 0.311 29.937 29.700 -0.124 0.000 0.944 211 E HN 0.732 nan 8.360 nan 0.000 0.492 212 D N -0.249 119.968 120.400 -0.304 0.000 2.891 212 D HA 0.042 4.682 4.640 -0.000 0.000 0.332 212 D C -0.379 175.792 176.300 -0.216 0.000 1.369 212 D CA -0.318 53.551 54.000 -0.219 0.000 0.827 212 D CB 0.150 40.839 40.800 -0.184 0.000 1.141 212 D HN -0.189 nan 8.370 nan 0.000 0.464 213 E N -0.455 119.595 120.200 -0.250 0.000 3.286 213 E HA -0.188 4.162 4.350 -0.000 0.000 0.292 213 E C 1.160 177.648 176.600 -0.186 0.000 0.928 213 E CA 1.077 57.364 56.400 -0.188 0.000 0.982 213 E CB -2.048 27.630 29.700 -0.037 0.000 1.500 213 E HN 0.879 nan 8.360 nan 0.000 0.441 214 G N -0.531 108.019 108.800 -0.417 0.000 2.163 214 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.213 214 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.213 214 G C 0.900 175.761 174.900 -0.066 0.000 0.991 214 G CA 0.468 45.376 45.100 -0.319 0.000 0.653 214 G HN 0.148 nan 8.290 nan 0.000 0.518 215 K N 0.460 120.757 120.400 -0.171 0.000 2.116 215 K HA 0.119 4.439 4.320 -0.000 0.000 0.203 215 K C 1.609 178.179 176.600 -0.050 0.000 1.052 215 K CA 1.792 58.070 56.287 -0.015 0.000 0.952 215 K CB -0.373 32.120 32.500 -0.012 0.000 0.729 215 K HN 0.878 nan 8.250 nan 0.000 0.446 216 T N -2.908 111.405 114.554 -0.403 0.000 2.916 216 T HA 0.625 4.974 4.350 -0.000 0.000 0.292 216 T C -1.291 172.734 174.700 -1.124 0.000 1.064 216 T CA -0.930 60.803 62.100 -0.611 0.000 1.011 216 T CB 1.620 70.328 68.868 -0.266 0.000 1.152 216 T HN 0.111 nan 8.240 nan 0.000 0.510 217 W N 0.343 120.870 121.300 -1.288 0.000 3.129 217 W HA 0.654 5.314 4.660 -0.000 0.000 0.333 217 W C -0.469 175.634 176.519 -0.695 0.000 1.141 217 W CA -0.778 55.953 57.345 -1.023 0.000 1.224 217 W CB 2.130 30.924 29.460 -1.110 0.000 1.393 217 W HN 0.725 nan 8.180 nan 0.000 0.499 218 K N 1.389 121.428 120.400 -0.602 0.000 2.306 218 K HA 0.784 5.104 4.320 -0.000 0.000 0.236 218 K C -1.419 174.974 176.600 -0.345 0.000 1.013 218 K CA -1.055 54.977 56.287 -0.425 0.000 0.857 218 K CB 1.870 34.030 32.500 -0.567 0.000 1.214 218 K HN 0.202 nan 8.250 nan 0.000 0.449 219 F N 0.294 120.314 119.950 0.116 0.000 2.482 219 F HA 0.371 4.898 4.527 -0.000 0.000 0.331 219 F C 0.862 176.882 175.800 0.367 0.000 1.115 219 F CA -0.559 57.629 58.000 0.313 0.000 0.955 219 F CB 1.890 41.050 39.000 0.267 0.000 1.136 219 F HN 0.595 nan 8.300 nan 0.000 0.452 220 G N 2.519 111.714 108.800 0.658 0.000 2.594 220 G HA2 0.156 4.116 3.960 -0.000 0.000 0.243 220 G HA3 0.156 4.116 3.960 -0.000 0.000 0.243 220 G C 0.574 175.705 174.900 0.385 0.000 1.229 220 G CA -0.542 44.858 45.100 0.499 0.000 0.843 220 G HN 0.734 nan 8.290 nan 0.000 0.578 221 K N 1.230 121.792 120.400 0.269 0.000 2.228 221 K HA 0.022 4.342 4.320 -0.000 0.000 0.202 221 K C 1.683 178.328 176.600 0.075 0.000 1.051 221 K CA 0.564 56.948 56.287 0.161 0.000 0.960 221 K CB 0.068 32.638 32.500 0.117 0.000 0.743 221 K HN 0.459 nan 8.250 nan 0.000 0.458 222 G N 2.124 110.983 108.800 0.098 0.000 2.553 222 G HA2 0.306 4.266 3.960 -0.000 0.000 0.278 222 G HA3 0.306 4.266 3.960 -0.000 0.000 0.278 222 G C -0.291 174.288 174.900 -0.535 0.000 1.349 222 G CA -0.495 44.516 45.100 -0.148 0.000 1.037 222 G HN 0.334 nan 8.290 nan 0.000 0.508 223 R N -2.420 117.439 120.500 -1.069 0.000 2.709 223 R HA 0.512 4.852 4.340 -0.000 0.000 0.270 223 R C -0.205 175.297 176.300 -1.329 0.000 1.038 223 R CA -0.379 54.968 56.100 -1.255 0.000 0.872 223 R CB 0.479 30.415 30.300 -0.608 0.000 1.259 223 R HN 0.714 nan 8.270 nan 0.000 0.473 224 S N 0.972 115.973 115.700 -1.165 0.000 2.625 224 S HA 0.652 5.122 4.470 -0.000 0.000 0.262 224 S C 0.678 175.028 174.600 -0.416 0.000 1.223 224 S CA -0.401 57.352 58.200 -0.746 0.000 0.993 224 S CB 0.508 63.517 63.200 -0.319 0.000 1.051 224 S HN 0.877 nan 8.310 nan 0.000 0.562 225 A N -0.246 122.500 122.820 -0.124 0.000 2.346 225 A HA 0.529 4.849 4.320 -0.000 0.000 0.252 225 A C -0.153 177.375 177.584 -0.093 0.000 1.089 225 A CA -0.663 51.306 52.037 -0.113 0.000 0.797 225 A CB -0.570 18.488 19.000 0.097 0.000 1.047 225 A HN 0.639 nan 8.150 nan 0.000 0.494 226 F N 0.273 120.255 119.950 0.053 0.000 2.529 226 F HA 0.394 4.921 4.527 -0.000 0.000 0.365 226 F C 1.636 177.500 175.800 0.108 0.000 1.102 226 F CA 1.681 59.734 58.000 0.088 0.000 1.271 226 F CB 0.717 39.745 39.000 0.047 0.000 1.120 226 F HN 0.883 nan 8.300 nan 0.000 0.579 227 G N 1.245 110.249 108.800 0.341 0.000 2.184 227 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.206 227 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.206 227 G C -0.535 174.478 174.900 0.189 0.000 0.995 227 G CA -0.537 44.697 45.100 0.224 0.000 0.651 227 G HN 0.720 nan 8.290 nan 0.000 0.511 228 C N 2.971 122.396 119.300 0.209 0.000 2.265 228 C HA 0.776 5.236 4.460 -0.000 0.000 0.332 228 C C 1.136 176.240 174.990 0.189 0.000 1.248 228 C CA 0.089 59.229 59.018 0.204 0.000 1.727 228 C CB -0.082 27.810 27.740 0.254 0.000 2.348 228 C HN 0.811 nan 8.230 nan 0.000 0.519 229 S N 1.439 117.240 115.700 0.168 0.000 2.786 229 S HA 0.546 5.016 4.470 -0.000 0.000 0.307 229 S C -0.268 174.431 174.600 0.165 0.000 1.121 229 S CA -0.665 57.636 58.200 0.169 0.000 0.975 229 S CB 0.251 63.543 63.200 0.154 0.000 1.220 229 S HN 0.744 nan 8.310 nan 0.000 0.550 230 E N 1.119 121.415 120.200 0.160 0.000 2.024 230 E HA -0.147 4.203 4.350 -0.000 0.000 0.171 230 E C -2.297 174.383 176.600 0.134 0.000 1.417 230 E CA 0.159 56.632 56.400 0.121 0.000 0.650 230 E CB -1.612 28.121 29.700 0.055 0.000 1.044 230 E HN 0.428 nan 8.360 nan 0.000 0.308 231 P HA 0.161 nan 4.420 nan 0.000 0.274 231 P C -0.577 176.847 177.300 0.206 0.000 1.231 231 P CA -0.207 63.023 63.100 0.217 0.000 0.790 231 P CB 1.383 33.254 31.700 0.285 0.000 0.951 232 V N 1.160 121.204 119.914 0.216 0.000 2.686 232 V HA 0.775 4.894 4.120 -0.000 0.000 0.306 232 V C -1.172 175.116 176.094 0.323 0.000 1.065 232 V CA -0.690 61.758 62.300 0.247 0.000 0.894 232 V CB 1.596 33.557 31.823 0.229 0.000 1.004 232 V HN 0.814 nan 8.190 nan 0.000 0.424 233 A N 6.052 129.050 122.820 0.296 0.000 2.423 233 A HA 1.037 5.357 4.320 -0.000 0.000 0.304 233 A C -1.256 176.443 177.584 0.193 0.000 1.104 233 A CA -0.559 51.643 52.037 0.274 0.000 0.757 233 A CB 1.863 20.975 19.000 0.186 0.000 1.313 233 A HN 1.792 nan 8.150 nan 0.000 0.423 234 L N -1.992 119.309 121.223 0.129 0.000 2.502 234 L HA 0.842 5.182 4.340 -0.000 0.000 0.253 234 L C -0.548 176.356 176.870 0.057 0.000 1.070 234 L CA -0.614 54.243 54.840 0.027 0.000 0.871 234 L CB 1.510 43.481 42.059 -0.146 0.000 1.487 234 L HN 0.716 nan 8.230 nan 0.000 0.408 235 E N 0.560 120.798 120.200 0.064 0.000 2.171 235 E HA 0.340 4.690 4.350 -0.000 0.000 0.271 235 E C -2.127 174.587 176.600 0.189 0.000 0.916 235 E CA -0.691 55.764 56.400 0.091 0.000 0.774 235 E CB 1.584 31.307 29.700 0.038 0.000 1.128 235 E HN 0.683 nan 8.360 nan 0.000 0.403 236 W N 5.387 126.669 121.300 -0.030 0.000 2.884 236 W HA 0.196 4.856 4.660 -0.000 0.000 0.336 236 W C -1.004 175.505 176.519 -0.017 0.000 1.038 236 W CA -0.486 56.846 57.345 -0.021 0.000 1.247 236 W CB 0.903 30.357 29.460 -0.011 0.000 1.351 236 W HN 0.790 nan 8.180 nan 0.000 0.446 237 E N 3.440 123.476 120.200 -0.273 0.000 2.210 237 E HA -0.207 4.142 4.350 -0.000 0.000 0.201 237 E C 1.074 177.639 176.600 -0.059 0.000 1.339 237 E CA 1.286 57.559 56.400 -0.212 0.000 0.699 237 E CB -1.141 28.413 29.700 -0.244 0.000 1.126 237 E HN 0.983 nan 8.360 nan 0.000 0.355 238 G N -0.196 108.576 108.800 -0.047 0.000 2.205 238 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.261 238 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.261 238 G C 0.207 175.103 174.900 -0.006 0.000 0.980 238 G CA 0.967 46.050 45.100 -0.028 0.000 0.632 238 G HN 0.356 nan 8.290 nan 0.000 0.533 239 K N -0.502 119.916 120.400 0.030 0.000 2.350 239 K HA 0.769 5.089 4.320 -0.000 0.000 0.241 239 K C -0.253 176.367 176.600 0.034 0.000 0.994 239 K CA -1.076 55.225 56.287 0.025 0.000 0.839 239 K CB 1.892 34.417 32.500 0.041 0.000 1.244 239 K HN 0.084 nan 8.250 nan 0.000 0.443 240 L N 2.382 123.597 121.223 -0.013 0.000 2.292 240 L HA 0.432 4.771 4.340 -0.000 0.000 0.284 240 L C -0.303 176.566 176.870 -0.001 0.000 1.065 240 L CA -0.604 54.227 54.840 -0.015 0.000 0.806 240 L CB 0.555 42.567 42.059 -0.079 0.000 1.175 240 L HN 0.370 nan 8.230 nan 0.000 0.431 241 I N 4.770 125.384 120.570 0.073 0.000 2.339 241 I HA 0.371 4.540 4.170 -0.000 0.000 0.290 241 I C -0.460 175.769 176.117 0.187 0.000 0.994 241 I CA -0.425 60.950 61.300 0.126 0.000 1.191 241 I CB 1.690 39.807 38.000 0.195 0.000 1.343 241 I HN 0.449 nan 8.210 nan 0.000 0.458 242 I N 6.037 126.681 120.570 0.122 0.000 2.382 242 I HA 0.298 4.468 4.170 -0.000 0.000 0.285 242 I C -0.147 176.080 176.117 0.183 0.000 1.007 242 I CA -0.391 61.003 61.300 0.157 0.000 1.142 242 I CB 1.161 39.176 38.000 0.025 0.000 1.289 242 I HN 0.470 nan 8.210 nan 0.000 0.453 243 N N 5.398 124.173 118.700 0.126 0.000 2.546 243 N HA 0.274 5.014 4.740 -0.000 0.000 0.238 243 N C -0.545 175.010 175.510 0.074 0.000 0.984 243 N CA -0.163 52.862 53.050 -0.040 0.000 0.935 243 N CB 1.268 39.483 38.487 -0.454 0.000 1.122 243 N HN 0.743 nan 8.380 nan 0.000 0.510 244 T N 0.215 114.845 114.554 0.127 0.000 2.944 244 T HA 0.459 4.809 4.350 -0.000 0.000 0.284 244 T C 0.254 175.030 174.700 0.126 0.000 1.010 244 T CA -0.894 61.309 62.100 0.172 0.000 1.025 244 T CB 1.787 70.817 68.868 0.269 0.000 1.079 244 T HN 0.430 nan 8.240 nan 0.000 0.516 245 R N 1.048 121.629 120.500 0.134 0.000 2.297 245 R HA 0.597 4.937 4.340 -0.000 0.000 0.308 245 R C -1.592 174.773 176.300 0.108 0.000 1.029 245 R CA -0.651 55.519 56.100 0.116 0.000 0.929 245 R CB 0.813 31.179 30.300 0.109 0.000 1.046 245 R HN 0.579 nan 8.270 nan 0.000 0.461 246 V N 4.570 124.531 119.914 0.078 0.000 2.419 246 V HA 0.136 4.255 4.120 -0.000 0.000 0.287 246 V C -0.852 175.253 176.094 0.019 0.000 1.017 246 V CA -1.075 61.267 62.300 0.070 0.000 0.844 246 V CB 1.474 33.342 31.823 0.075 0.000 1.011 246 V HN 0.815 nan 8.190 nan 0.000 0.429 247 D N 4.004 124.393 120.400 -0.018 0.000 2.487 247 D HA 0.177 4.817 4.640 -0.000 0.000 0.243 247 D C 0.404 176.616 176.300 -0.146 0.000 1.154 247 D CA 0.799 54.660 54.000 -0.231 0.000 0.876 247 D CB 0.210 40.825 40.800 -0.307 0.000 1.161 247 D HN 0.692 nan 8.370 nan 0.000 0.478 248 Y N -0.022 120.273 120.300 -0.007 0.000 4.366 248 Y HA -0.314 4.236 4.550 -0.000 0.000 0.236 248 Y C 0.687 176.586 175.900 -0.001 0.000 1.142 248 Y CA 0.438 58.530 58.100 -0.013 0.000 2.024 248 Y CB -1.186 37.266 38.460 -0.014 0.000 1.621 248 Y HN 0.350 nan 8.280 nan 0.000 0.694 249 R N -0.610 119.942 120.500 0.088 0.000 2.712 249 R HA 0.443 4.782 4.340 -0.000 0.000 0.272 249 R C -0.522 175.782 176.300 0.007 0.000 1.032 249 R CA -1.229 54.904 56.100 0.055 0.000 0.874 249 R CB 1.156 31.495 30.300 0.066 0.000 1.256 249 R HN 0.105 nan 8.270 nan 0.000 0.468 250 R N 1.469 121.955 120.500 -0.024 0.000 2.679 250 R HA 0.186 4.526 4.340 -0.000 0.000 0.268 250 R C 0.205 176.461 176.300 -0.074 0.000 1.044 250 R CA -0.189 55.867 56.100 -0.072 0.000 1.105 250 R CB 0.435 30.658 30.300 -0.128 0.000 0.989 250 R HN 0.257 nan 8.270 nan 0.000 0.447 251 R N 1.719 122.166 120.500 -0.089 0.000 2.491 251 R HA 0.143 4.483 4.340 -0.000 0.000 0.283 251 R C -0.171 176.059 176.300 -0.116 0.000 1.072 251 R CA -0.045 56.014 56.100 -0.069 0.000 1.048 251 R CB 0.388 30.660 30.300 -0.047 0.000 0.983 251 R HN 0.340 nan 8.270 nan 0.000 0.450 252 L N 3.460 124.631 121.223 -0.086 0.000 2.282 252 L HA 0.442 4.782 4.340 -0.000 0.000 0.288 252 L C -0.529 176.206 176.870 -0.224 0.000 1.033 252 L CA -0.872 53.853 54.840 -0.192 0.000 0.807 252 L CB 1.688 43.656 42.059 -0.151 0.000 1.209 252 L HN 0.303 nan 8.230 nan 0.000 0.423 253 V N 3.198 122.896 119.914 -0.360 0.000 2.680 253 V HA 0.525 4.645 4.120 -0.000 0.000 0.309 253 V C -0.917 174.970 176.094 -0.344 0.000 1.052 253 V CA -0.685 61.471 62.300 -0.240 0.000 0.908 253 V CB 1.847 33.565 31.823 -0.176 0.000 1.001 253 V HN 0.460 nan 8.190 nan 0.000 0.431 254 Y N 0.984 121.299 120.300 0.025 0.000 2.634 254 Y HA 0.670 5.220 4.550 -0.000 0.000 0.340 254 Y C 0.080 175.936 175.900 -0.074 0.000 1.058 254 Y CA -1.046 57.062 58.100 0.012 0.000 1.081 254 Y CB 1.880 40.408 38.460 0.113 0.000 1.295 254 Y HN 0.550 nan 8.280 nan 0.000 0.487 255 E N 0.326 120.576 120.200 0.084 0.000 2.288 255 E HA 0.622 4.972 4.350 -0.000 0.000 0.268 255 E C -1.438 175.089 176.600 -0.121 0.000 0.885 255 E CA -1.016 55.367 56.400 -0.027 0.000 0.767 255 E CB 2.502 32.208 29.700 0.010 0.000 1.220 255 E HN 0.372 nan 8.360 nan 0.000 0.427 256 S N 0.558 116.148 115.700 -0.182 0.000 2.619 256 S HA 0.270 4.740 4.470 -0.000 0.000 0.280 256 S C -0.372 174.159 174.600 -0.114 0.000 1.150 256 S CA -0.575 57.505 58.200 -0.200 0.000 0.978 256 S CB 1.294 64.238 63.200 -0.427 0.000 1.041 256 S HN 0.390 nan 8.310 nan 0.000 0.485 257 S N 2.407 118.068 115.700 -0.065 0.000 2.540 257 S HA 0.130 4.600 4.470 -0.000 0.000 0.218 257 S C -0.116 174.453 174.600 -0.052 0.000 0.977 257 S CA -0.180 57.993 58.200 -0.045 0.000 0.918 257 S CB -0.085 63.102 63.200 -0.022 0.000 0.806 257 S HN 0.849 nan 8.310 nan 0.000 0.496 258 D N -0.004 120.363 120.400 -0.056 0.000 2.957 258 D HA 0.390 5.029 4.640 -0.000 0.000 0.352 258 D C 0.280 176.525 176.300 -0.092 0.000 1.352 258 D CA -0.719 53.248 54.000 -0.054 0.000 0.831 258 D CB -0.013 40.781 40.800 -0.011 0.000 1.147 258 D HN -0.095 nan 8.370 nan 0.000 0.467 259 M N 0.915 120.421 119.600 -0.156 0.000 2.576 259 M HA -0.147 4.332 4.480 -0.000 0.000 0.200 259 M C 1.051 177.259 176.300 -0.153 0.000 0.487 259 M CA 1.010 56.143 55.300 -0.277 0.000 0.553 259 M CB -1.538 30.743 32.600 -0.532 0.000 2.042 259 M HN 0.999 nan 8.290 nan 0.000 0.758 260 G N -1.232 107.551 108.800 -0.027 0.000 2.175 260 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.244 260 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.244 260 G C 0.557 175.678 174.900 0.369 0.000 0.982 260 G CA 0.322 45.544 45.100 0.204 0.000 0.641 260 G HN 0.557 nan 8.290 nan 0.000 0.527 261 N N 0.375 119.198 118.700 0.206 0.000 2.494 261 N HA 0.116 4.856 4.740 -0.000 0.000 0.182 261 N C 0.366 176.012 175.510 0.226 0.000 1.076 261 N CA 1.469 54.642 53.050 0.206 0.000 0.908 261 N CB 0.219 38.783 38.487 0.128 0.000 0.967 261 N HN 0.493 nan 8.380 nan 0.000 0.449 262 T N -0.222 114.492 114.554 0.268 0.000 2.993 262 T HA 0.325 4.675 4.350 -0.000 0.000 0.312 262 T C -1.607 173.288 174.700 0.324 0.000 1.115 262 T CA -0.556 61.705 62.100 0.268 0.000 1.027 262 T CB 1.278 70.222 68.868 0.127 0.000 1.116 262 T HN -0.014 nan 8.240 nan 0.000 0.464 263 W N 2.719 124.014 121.300 -0.008 0.000 2.600 263 W HA 0.779 5.438 4.660 -0.001 0.000 0.325 263 W C -1.107 175.446 176.519 0.058 0.000 1.034 263 W CA -0.878 56.460 57.345 -0.012 0.000 1.226 263 W CB 1.205 30.567 29.460 -0.163 0.000 1.379 263 W HN 0.345 nan 8.180 nan 0.000 0.466 264 L N 2.560 123.954 121.223 0.285 0.000 2.406 264 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 264 L C 0.151 177.191 176.870 0.284 0.000 0.980 264 L CA -0.873 54.111 54.840 0.241 0.000 0.831 264 L CB 1.675 43.805 42.059 0.117 0.000 1.253 264 L HN 0.405 nan 8.230 nan 0.000 0.406 265 E N 2.836 123.184 120.200 0.247 0.000 2.415 265 E HA 0.217 4.567 4.350 -0.000 0.000 0.263 265 E C -0.124 176.437 176.600 -0.066 0.000 0.995 265 E CA -0.047 56.360 56.400 0.011 0.000 0.915 265 E CB 1.009 30.660 29.700 -0.081 0.000 0.951 265 E HN 0.725 nan 8.360 nan 0.000 0.449 266 A N 5.121 127.867 122.820 -0.122 0.000 3.074 266 A HA 0.078 4.398 4.320 -0.000 0.000 0.251 266 A C 1.296 178.799 177.584 -0.134 0.000 1.695 266 A CA -0.049 51.924 52.037 -0.107 0.000 1.343 266 A CB -0.886 18.055 19.000 -0.098 0.000 1.078 266 A HN 0.588 nan 8.150 nan 0.000 0.644 267 V N -1.622 118.186 119.914 -0.177 0.000 2.594 267 V HA -0.105 4.015 4.120 -0.000 0.000 0.253 267 V C 1.860 177.902 176.094 -0.087 0.000 1.069 267 V CA 2.221 64.372 62.300 -0.248 0.000 1.082 267 V CB -1.072 30.314 31.823 -0.728 0.000 0.680 267 V HN 0.513 nan 8.190 nan 0.000 0.469 268 G N -0.063 108.695 108.800 -0.070 0.000 2.880 268 G HA2 0.144 4.103 3.960 -0.000 0.000 0.209 268 G HA3 0.144 4.103 3.960 -0.000 0.000 0.209 268 G C 1.224 176.113 174.900 -0.019 0.000 1.157 268 G CA 1.162 46.260 45.100 -0.003 0.000 0.779 268 G HN 0.705 nan 8.290 nan 0.000 0.539 269 T N -2.063 112.468 114.554 -0.038 0.000 3.426 269 T HA 0.239 4.589 4.350 -0.000 0.000 0.195 269 T C 1.885 176.521 174.700 -0.107 0.000 0.963 269 T CA -0.037 62.018 62.100 -0.075 0.000 1.154 269 T CB -0.033 68.764 68.868 -0.118 0.000 1.377 269 T HN -0.019 nan 8.240 nan 0.000 0.342 270 L N 1.058 122.173 121.223 -0.181 0.000 2.609 270 L HA 0.419 4.759 4.340 -0.000 0.000 0.230 270 L C 1.333 177.979 176.870 -0.373 0.000 1.087 270 L CA -0.245 54.393 54.840 -0.337 0.000 0.874 270 L CB 0.231 42.137 42.059 -0.255 0.000 1.114 270 L HN 0.296 nan 8.230 nan 0.000 0.488 271 S N 0.852 116.397 115.700 -0.259 0.000 2.560 271 S HA 0.092 4.562 4.470 -0.000 0.000 0.284 271 S C 1.051 175.442 174.600 -0.347 0.000 1.327 271 S CA 0.022 58.053 58.200 -0.281 0.000 1.055 271 S CB 0.117 63.165 63.200 -0.253 0.000 0.868 271 S HN 0.447 nan 8.310 nan 0.000 0.506 272 R N 1.201 121.473 120.500 -0.381 0.000 4.016 272 R HA -0.173 4.167 4.340 -0.000 0.000 0.385 272 R C 1.016 176.988 176.300 -0.547 0.000 1.158 272 R CA 0.949 56.754 56.100 -0.492 0.000 1.117 272 R CB -2.757 27.110 30.300 -0.723 0.000 1.635 272 R HN 0.487 nan 8.270 nan 0.000 0.560 273 V N -0.164 119.393 119.914 -0.595 0.000 2.307 273 V HA -0.137 3.982 4.120 -0.000 0.000 0.245 273 V C 1.268 176.925 176.094 -0.728 0.000 1.045 273 V CA 1.685 63.519 62.300 -0.777 0.000 1.024 273 V CB -0.170 30.900 31.823 -1.255 0.000 0.651 273 V HN 0.257 nan 8.190 nan 0.000 0.449 274 W N 0.173 121.221 121.300 -0.419 0.000 2.433 274 W HA 0.648 5.308 4.660 -0.000 0.000 0.315 274 W C 0.314 176.659 176.519 -0.290 0.000 1.087 274 W CA -0.601 56.511 57.345 -0.388 0.000 1.205 274 W CB 0.898 30.081 29.460 -0.463 0.000 1.288 274 W HN 0.127 nan 8.180 nan 0.000 0.504 275 G N 2.788 111.584 108.800 -0.007 0.000 2.417 275 G HA2 0.505 4.465 3.960 -0.000 0.000 0.334 275 G HA3 0.505 4.465 3.960 -0.000 0.000 0.334 275 G C -2.137 172.754 174.900 -0.016 0.000 1.150 275 G CA -1.288 43.796 45.100 -0.027 0.000 0.923 275 G HN 0.092 nan 8.290 nan 0.000 0.485 276 P HA 0.098 nan 4.420 nan 0.000 0.240 276 P C 0.374 177.759 177.300 0.141 0.000 1.190 276 P CA 0.418 63.578 63.100 0.100 0.000 0.781 276 P CB 0.515 32.253 31.700 0.062 0.000 0.931 277 S N -4.111 111.659 115.700 0.116 0.000 2.611 277 S HA 0.437 4.907 4.470 -0.000 0.000 0.268 277 S C -2.633 172.051 174.600 0.138 0.000 1.156 277 S CA -1.385 56.903 58.200 0.146 0.000 0.817 277 S CB 1.234 64.496 63.200 0.103 0.000 1.122 277 S HN -0.357 nan 8.310 nan 0.000 0.466 278 P HA -0.096 nan 4.420 nan 0.000 0.218 278 P C 0.498 177.823 177.300 0.041 0.000 1.150 278 P CA 1.596 64.747 63.100 0.085 0.000 0.841 278 P CB 0.012 31.707 31.700 -0.008 0.000 0.784 279 K N -2.228 118.194 120.400 0.038 0.000 2.438 279 K HA 0.241 4.561 4.320 -0.000 0.000 0.205 279 K C 0.154 176.773 176.600 0.032 0.000 1.033 279 K CA 0.059 56.360 56.287 0.023 0.000 1.089 279 K CB 0.347 32.854 32.500 0.013 0.000 0.857 279 K HN -0.151 nan 8.250 nan 0.000 0.522 280 S N 2.327 118.053 115.700 0.044 0.000 3.581 280 S HA -0.140 4.330 4.470 -0.000 0.000 0.354 280 S C 0.136 174.775 174.600 0.065 0.000 1.059 280 S CA 1.254 59.479 58.200 0.042 0.000 1.060 280 S CB -1.366 61.845 63.200 0.020 0.000 0.908 280 S HN 0.658 nan 8.310 nan 0.000 0.475 281 N N -0.468 118.280 118.700 0.081 0.000 2.351 281 N HA 0.190 4.930 4.740 -0.000 0.000 0.254 281 N C -0.122 175.525 175.510 0.228 0.000 1.241 281 N CA -0.452 52.683 53.050 0.141 0.000 0.883 281 N CB 0.412 38.948 38.487 0.082 0.000 1.202 281 N HN 0.309 nan 8.380 nan 0.000 0.512 282 Q N -0.068 119.788 119.800 0.095 0.000 2.552 282 Q HA 0.589 4.928 4.340 -0.000 0.000 0.289 282 Q C -2.798 172.950 176.000 -0.421 0.000 1.097 282 Q CA -1.787 53.974 55.803 -0.070 0.000 0.812 282 Q CB 1.140 29.832 28.738 -0.078 0.000 1.460 282 Q HN 0.052 nan 8.270 nan 0.000 0.452 283 P HA 0.130 nan 4.420 nan 0.000 0.272 283 P C -0.230 176.898 177.300 -0.287 0.000 1.223 283 P CA 0.179 62.865 63.100 -0.689 0.000 0.784 283 P CB 0.469 31.598 31.700 -0.953 0.000 0.923 284 G N 0.187 108.903 108.800 -0.141 0.000 2.641 284 G HA2 0.561 4.521 3.960 -0.000 0.000 0.239 284 G HA3 0.561 4.521 3.960 -0.000 0.000 0.239 284 G C -0.652 174.302 174.900 0.090 0.000 1.402 284 G CA -0.332 44.802 45.100 0.056 0.000 1.046 284 G HN 0.593 nan 8.290 nan 0.000 0.565 285 S N -2.287 113.478 115.700 0.108 0.000 2.643 285 S HA 0.406 4.876 4.470 -0.000 0.000 0.270 285 S C -1.127 173.372 174.600 -0.168 0.000 1.166 285 S CA -0.481 57.705 58.200 -0.024 0.000 0.815 285 S CB 1.594 64.677 63.200 -0.195 0.000 1.139 285 S HN 0.758 nan 8.310 nan 0.000 0.472 286 Q N 1.282 120.754 119.800 -0.546 0.000 2.368 286 Q HA 0.576 4.915 4.340 -0.000 0.000 0.237 286 Q C -1.177 174.600 176.000 -0.372 0.000 0.987 286 Q CA 0.209 55.662 55.803 -0.582 0.000 0.896 286 Q CB 1.179 29.190 28.738 -1.211 0.000 1.241 286 Q HN 0.651 nan 8.270 nan 0.000 0.485 287 S N 1.271 116.847 115.700 -0.207 0.000 2.546 287 S HA 0.259 4.729 4.470 -0.000 0.000 0.272 287 S C -1.250 173.308 174.600 -0.069 0.000 1.140 287 S CA -0.569 57.521 58.200 -0.184 0.000 0.920 287 S CB 1.798 64.922 63.200 -0.128 0.000 1.083 287 S HN 0.605 nan 8.310 nan 0.000 0.476 288 S N 2.005 117.654 115.700 -0.085 0.000 2.523 288 S HA 0.712 5.182 4.470 -0.000 0.000 0.275 288 S C -1.334 173.391 174.600 0.208 0.000 1.281 288 S CA -0.204 58.031 58.200 0.058 0.000 1.050 288 S CB -0.028 63.196 63.200 0.040 0.000 0.937 288 S HN 0.496 nan 8.310 nan 0.000 0.492 289 F N 4.485 124.488 119.950 0.088 0.000 2.831 289 F HA 0.473 5.000 4.527 -0.000 0.000 0.346 289 F C -0.341 175.542 175.800 0.138 0.000 1.224 289 F CA -0.370 57.723 58.000 0.155 0.000 1.048 289 F CB 1.319 40.441 39.000 0.202 0.000 1.339 289 F HN 0.643 nan 8.300 nan 0.000 0.514 290 T N 1.911 116.417 114.554 -0.081 0.000 2.883 290 T HA 0.919 5.269 4.350 -0.000 0.000 0.296 290 T C -1.043 173.588 174.700 -0.114 0.000 1.117 290 T CA -0.913 61.136 62.100 -0.085 0.000 1.006 290 T CB 1.800 70.700 68.868 0.053 0.000 1.191 290 T HN 0.874 nan 8.240 nan 0.000 0.508 291 A N 1.194 123.997 122.820 -0.028 0.000 2.318 291 A HA 0.864 5.183 4.320 -0.000 0.000 0.317 291 A C 0.086 177.727 177.584 0.095 0.000 1.159 291 A CA -0.596 51.480 52.037 0.066 0.000 0.799 291 A CB 0.659 19.744 19.000 0.142 0.000 1.194 291 A HN 1.849 nan 8.150 nan 0.000 0.479 292 V N -0.296 119.677 119.914 0.099 0.000 3.156 292 V HA 0.910 5.029 4.120 -0.000 0.000 0.310 292 V C -0.462 175.673 176.094 0.069 0.000 1.234 292 V CA -0.639 61.714 62.300 0.089 0.000 1.065 292 V CB 1.644 33.493 31.823 0.043 0.000 1.088 292 V HN 0.680 nan 8.190 nan 0.000 0.451 293 T N 2.689 117.294 114.554 0.086 0.000 2.864 293 T HA 0.669 5.018 4.350 -0.000 0.000 0.299 293 T C -0.534 174.216 174.700 0.083 0.000 1.011 293 T CA 0.040 62.189 62.100 0.081 0.000 0.975 293 T CB 0.474 69.401 68.868 0.098 0.000 0.962 293 T HN 0.637 nan 8.240 nan 0.000 0.448 294 I N 2.921 123.494 120.570 0.004 0.000 2.420 294 I HA 0.307 4.477 4.170 -0.000 0.000 0.282 294 I C 0.254 176.391 176.117 0.033 0.000 1.019 294 I CA -0.580 60.712 61.300 -0.013 0.000 1.130 294 I CB 0.996 38.891 38.000 -0.175 0.000 1.262 294 I HN 0.765 nan 8.210 nan 0.000 0.454 295 E N 4.578 124.821 120.200 0.072 0.000 2.271 295 E HA -0.260 4.090 4.350 -0.000 0.000 0.223 295 E C 1.072 177.699 176.600 0.045 0.000 1.223 295 E CA 0.589 57.020 56.400 0.052 0.000 0.704 295 E CB -1.069 28.650 29.700 0.032 0.000 1.194 295 E HN 1.212 nan 8.360 nan 0.000 0.375 296 G N -0.577 108.254 108.800 0.052 0.000 2.284 296 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.247 296 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.247 296 G C 0.310 175.240 174.900 0.049 0.000 1.012 296 G CA 0.475 45.602 45.100 0.044 0.000 0.618 296 G HN 0.286 nan 8.290 nan 0.000 0.521 297 M N 0.506 120.142 119.600 0.061 0.000 2.238 297 M HA 0.558 5.038 4.480 -0.000 0.000 0.350 297 M C 0.333 176.689 176.300 0.093 0.000 1.138 297 M CA -0.830 54.521 55.300 0.086 0.000 1.040 297 M CB 1.799 34.472 32.600 0.121 0.000 1.639 297 M HN 0.134 nan 8.290 nan 0.000 0.451 298 R N 2.564 123.121 120.500 0.095 0.000 2.298 298 R HA 0.532 4.872 4.340 -0.000 0.000 0.310 298 R C -0.994 175.489 176.300 0.304 0.000 1.068 298 R CA -0.222 55.946 56.100 0.114 0.000 0.957 298 R CB 0.510 30.780 30.300 -0.050 0.000 1.003 298 R HN 0.634 nan 8.270 nan 0.000 0.454 299 V N 1.009 121.115 119.914 0.319 0.000 3.182 299 V HA 0.633 4.752 4.120 -0.000 0.000 0.308 299 V C -0.672 175.586 176.094 0.273 0.000 1.240 299 V CA -1.208 61.308 62.300 0.360 0.000 1.063 299 V CB 2.353 34.311 31.823 0.225 0.000 1.076 299 V HN 0.706 nan 8.190 nan 0.000 0.446 300 M N 1.870 121.566 119.600 0.160 0.000 2.508 300 M HA 0.673 5.153 4.480 -0.000 0.000 0.327 300 M C -1.260 175.136 176.300 0.160 0.000 1.160 300 M CA -0.506 54.833 55.300 0.065 0.000 0.980 300 M CB 2.036 34.596 32.600 -0.066 0.000 1.693 300 M HN 0.574 nan 8.290 nan 0.000 0.452 301 L N 2.451 123.766 121.223 0.153 0.000 2.365 301 L HA 0.666 5.006 4.340 -0.000 0.000 0.273 301 L C -1.362 175.733 176.870 0.376 0.000 1.000 301 L CA -0.597 54.384 54.840 0.235 0.000 0.819 301 L CB 1.804 43.947 42.059 0.140 0.000 1.284 301 L HN 0.592 nan 8.230 nan 0.000 0.418 302 F N 2.028 122.107 119.950 0.215 0.000 2.569 302 F HA 0.672 5.199 4.527 -0.000 0.000 0.312 302 F C -0.479 175.366 175.800 0.075 0.000 1.109 302 F CA -0.256 57.816 58.000 0.120 0.000 0.919 302 F CB 2.138 41.040 39.000 -0.162 0.000 1.211 302 F HN 0.461 nan 8.300 nan 0.000 0.446 303 T N 1.819 115.877 114.554 -0.827 0.000 2.876 303 T HA 0.635 4.985 4.350 -0.000 0.000 0.289 303 T C -1.498 172.692 174.700 -0.851 0.000 1.014 303 T CA -0.632 61.097 62.100 -0.619 0.000 0.986 303 T CB 1.669 70.372 68.868 -0.275 0.000 1.021 303 T HN 0.921 nan 8.240 nan 0.000 0.458 304 H N 1.328 120.084 119.070 -0.523 0.000 3.094 304 H HA 0.526 5.082 4.556 -0.000 0.000 0.346 304 H C -3.055 172.210 175.328 -0.106 0.000 1.238 304 H CA -1.189 54.670 56.048 -0.316 0.000 1.209 304 H CB 2.371 31.985 29.762 -0.246 0.000 1.911 304 H HN 0.543 nan 8.280 nan 0.000 0.540 305 P HA 0.139 nan 4.420 nan 0.000 0.281 305 P C 0.238 177.616 177.300 0.130 0.000 1.249 305 P CA -0.414 62.639 63.100 -0.078 0.000 0.810 305 P CB 1.775 33.380 31.700 -0.159 0.000 1.008 306 L N 0.269 121.503 121.223 0.019 0.000 2.270 306 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 306 L C 0.685 177.616 176.870 0.102 0.000 1.104 306 L CA 0.572 55.449 54.840 0.062 0.000 0.804 306 L CB -0.730 41.251 42.059 -0.131 0.000 0.937 306 L HN 0.473 nan 8.230 nan 0.000 0.450 307 N N -0.203 118.504 118.700 0.010 0.000 2.708 307 N HA -0.247 4.493 4.740 -0.000 0.000 0.255 307 N C 0.530 176.178 175.510 0.231 0.000 1.046 307 N CA 0.325 53.423 53.050 0.081 0.000 0.715 307 N CB -1.421 37.118 38.487 0.087 0.000 0.895 307 N HN 0.308 nan 8.380 nan 0.000 0.545 308 F N 0.005 119.978 119.950 0.037 0.000 2.216 308 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 308 F C 1.981 177.796 175.800 0.024 0.000 1.085 308 F CA 0.925 58.944 58.000 0.031 0.000 1.326 308 F CB 0.045 39.062 39.000 0.028 0.000 1.027 308 F HN 0.243 nan 8.300 nan 0.000 0.497 309 K N 0.342 120.864 120.400 0.204 0.000 2.296 309 K HA 0.177 4.497 4.320 -0.000 0.000 0.200 309 K C 0.971 177.623 176.600 0.087 0.000 1.048 309 K CA 0.488 56.849 56.287 0.124 0.000 0.966 309 K CB -0.212 32.345 32.500 0.095 0.000 0.754 309 K HN 0.326 nan 8.250 nan 0.000 0.466 310 G N 1.107 109.951 108.800 0.074 0.000 2.757 310 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.638 310 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.638 310 G C -0.493 174.399 174.900 -0.012 0.000 1.344 310 G CA -0.349 44.766 45.100 0.025 0.000 0.855 310 G HN 0.279 nan 8.290 nan 0.000 0.537 311 R N -2.146 118.290 120.500 -0.108 0.000 3.878 311 R HA -0.214 4.126 4.340 -0.000 0.000 0.446 311 R C 1.023 177.125 176.300 -0.329 0.000 0.241 311 R CA 1.962 57.917 56.100 -0.241 0.000 1.411 311 R CB -1.347 28.989 30.300 0.060 0.000 1.019 311 R HN 0.810 nan 8.270 nan 0.000 0.555 312 W N 1.498 122.835 121.300 0.061 0.000 3.388 312 W HA 0.167 4.827 4.660 -0.000 0.000 0.324 312 W C 1.667 178.221 176.519 0.058 0.000 1.250 312 W CA 0.022 57.400 57.345 0.056 0.000 1.809 312 W CB -0.222 29.274 29.460 0.061 0.000 1.083 312 W HN 0.366 nan 8.180 nan 0.000 0.685 313 L N 0.672 122.017 121.223 0.202 0.000 2.046 313 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 313 L C 1.066 177.991 176.870 0.092 0.000 1.077 313 L CA 1.303 56.224 54.840 0.135 0.000 0.747 313 L CB -0.587 41.528 42.059 0.094 0.000 0.896 313 L HN -0.056 nan 8.230 nan 0.000 0.432 314 R N 1.314 121.856 120.500 0.069 0.000 3.205 314 R HA -0.149 4.191 4.340 -0.000 0.000 0.249 314 R C -0.339 175.958 176.300 -0.005 0.000 0.937 314 R CA 0.589 56.710 56.100 0.035 0.000 0.641 314 R CB -1.916 28.418 30.300 0.057 0.000 1.114 314 R HN 0.597 nan 8.270 nan 0.000 0.451 315 D N 0.657 121.041 120.400 -0.027 0.000 2.398 315 D HA 0.200 4.840 4.640 -0.000 0.000 0.247 315 D C -0.034 176.174 176.300 -0.153 0.000 1.227 315 D CA -0.679 53.276 54.000 -0.075 0.000 0.980 315 D CB 0.456 41.215 40.800 -0.069 0.000 1.106 315 D HN 0.233 nan 8.370 nan 0.000 0.493 316 R N -1.122 119.270 120.500 -0.181 0.000 2.873 316 R HA -0.203 4.137 4.340 -0.000 0.000 0.281 316 R C -0.772 175.409 176.300 -0.199 0.000 0.933 316 R CA -0.186 55.774 56.100 -0.234 0.000 0.712 316 R CB -1.630 28.421 30.300 -0.415 0.000 1.780 316 R HN 0.417 nan 8.270 nan 0.000 0.488 317 L N 2.127 123.231 121.223 -0.198 0.000 2.361 317 L HA 0.234 4.574 4.340 -0.000 0.000 0.278 317 L C 0.181 176.936 176.870 -0.191 0.000 1.113 317 L CA 0.439 55.151 54.840 -0.213 0.000 0.849 317 L CB 0.833 42.694 42.059 -0.330 0.000 1.155 317 L HN 0.370 nan 8.230 nan 0.000 0.452 318 N N 3.194 121.808 118.700 -0.143 0.000 2.319 318 N HA 0.647 5.387 4.740 -0.000 0.000 0.305 318 N C -1.631 173.765 175.510 -0.189 0.000 1.103 318 N CA -0.661 52.284 53.050 -0.174 0.000 0.815 318 N CB 1.564 39.978 38.487 -0.122 0.000 1.288 318 N HN 0.572 nan 8.380 nan 0.000 0.493 319 L N 2.327 123.383 121.223 -0.278 0.000 2.329 319 L HA 0.710 5.050 4.340 -0.000 0.000 0.279 319 L C -1.757 174.963 176.870 -0.250 0.000 1.014 319 L CA -0.338 54.407 54.840 -0.158 0.000 0.814 319 L CB 0.677 42.692 42.059 -0.072 0.000 1.257 319 L HN 0.589 nan 8.230 nan 0.000 0.424 320 W N 5.109 126.502 121.300 0.155 0.000 2.781 320 W HA 0.695 5.355 4.660 -0.000 0.000 0.345 320 W C -1.174 175.528 176.519 0.304 0.000 1.085 320 W CA -0.643 56.874 57.345 0.288 0.000 1.198 320 W CB 1.670 31.390 29.460 0.434 0.000 1.423 320 W HN 0.437 nan 8.180 nan 0.000 0.532 321 L N 1.976 123.560 121.223 0.600 0.000 2.381 321 L HA 0.914 5.254 4.340 -0.000 0.000 0.268 321 L C -0.545 176.649 176.870 0.539 0.000 0.997 321 L CA -0.080 55.027 54.840 0.445 0.000 0.818 321 L CB 2.225 44.441 42.059 0.262 0.000 1.310 321 L HN 0.419 nan 8.230 nan 0.000 0.416 322 T N 0.929 115.758 114.554 0.459 0.000 2.885 322 T HA 0.428 4.777 4.350 -0.000 0.000 0.322 322 T C -1.130 173.774 174.700 0.340 0.000 1.387 322 T CA -0.065 62.312 62.100 0.463 0.000 1.041 322 T CB 1.241 70.313 68.868 0.340 0.000 1.287 322 T HN 0.801 nan 8.240 nan 0.000 0.491 323 D N 2.509 123.093 120.400 0.306 0.000 2.559 323 D HA 0.215 4.855 4.640 -0.000 0.000 0.234 323 D C 0.782 177.099 176.300 0.028 0.000 1.226 323 D CA -0.328 53.817 54.000 0.242 0.000 0.830 323 D CB -0.691 40.309 40.800 0.333 0.000 1.028 323 D HN 0.777 nan 8.370 nan 0.000 0.492 324 N N -0.274 118.336 118.700 -0.149 0.000 2.909 324 N HA -0.252 4.488 4.740 -0.000 0.000 0.242 324 N C 0.329 175.762 175.510 -0.130 0.000 0.975 324 N CA 1.260 54.184 53.050 -0.209 0.000 0.921 324 N CB -0.291 38.008 38.487 -0.314 0.000 1.112 324 N HN 0.456 nan 8.380 nan 0.000 0.581 325 Q N -0.542 119.179 119.800 -0.132 0.000 2.245 325 Q HA 0.223 4.563 4.340 -0.000 0.000 0.172 325 Q C -0.069 175.816 176.000 -0.190 0.000 0.604 325 Q CA -0.222 55.455 55.803 -0.209 0.000 0.812 325 Q CB 0.375 28.954 28.738 -0.265 0.000 1.149 325 Q HN 0.122 nan 8.270 nan 0.000 0.467 326 R N 1.079 121.412 120.500 -0.279 0.000 2.500 326 R HA 0.524 4.864 4.340 -0.000 0.000 0.275 326 R C -0.491 175.889 176.300 0.135 0.000 1.051 326 R CA 0.123 56.129 56.100 -0.158 0.000 1.088 326 R CB 0.846 30.852 30.300 -0.490 0.000 1.063 326 R HN 0.175 nan 8.270 nan 0.000 0.511 327 I N 1.684 122.437 120.570 0.306 0.000 2.500 327 I HA 0.258 4.428 4.170 -0.000 0.000 0.286 327 I C -1.365 175.114 176.117 0.604 0.000 1.063 327 I CA -0.910 60.650 61.300 0.434 0.000 1.062 327 I CB 1.482 39.605 38.000 0.204 0.000 1.223 327 I HN 0.558 nan 8.210 nan 0.000 0.435 328 Y N 5.698 126.352 120.300 0.590 0.000 2.364 328 Y HA 0.398 4.948 4.550 -0.000 0.000 0.340 328 Y C 0.054 176.215 175.900 0.436 0.000 0.975 328 Y CA -0.645 57.749 58.100 0.490 0.000 1.089 328 Y CB 1.486 40.182 38.460 0.393 0.000 1.192 328 Y HN 0.633 nan 8.280 nan 0.000 0.454 329 N N 4.953 123.475 118.700 -0.297 0.000 2.421 329 N HA 0.079 4.819 4.740 -0.000 0.000 0.260 329 N C 0.347 175.469 175.510 -0.647 0.000 1.173 329 N CA 0.124 52.742 53.050 -0.720 0.000 0.960 329 N CB 0.682 38.686 38.487 -0.805 0.000 1.273 329 N HN 0.613 nan 8.380 nan 0.000 0.497 330 V N 2.496 122.288 119.914 -0.204 0.000 2.255 330 V HA 0.110 4.229 4.120 -0.000 0.000 0.247 330 V C 1.519 177.556 176.094 -0.095 0.000 1.051 330 V CA 1.860 64.200 62.300 0.068 0.000 1.018 330 V CB -1.362 30.520 31.823 0.099 0.000 0.641 330 V HN 0.886 nan 8.190 nan 0.000 0.445 331 G N -1.576 107.086 108.800 -0.230 0.000 2.343 331 G HA2 0.232 4.192 3.960 -0.000 0.000 0.289 331 G HA3 0.232 4.192 3.960 -0.000 0.000 0.289 331 G C -1.346 173.436 174.900 -0.197 0.000 1.295 331 G CA -0.350 44.634 45.100 -0.195 0.000 0.869 331 G HN 0.187 nan 8.290 nan 0.000 0.522 332 Q N -0.066 119.647 119.800 -0.144 0.000 2.314 332 Q HA 0.502 4.842 4.340 -0.000 0.000 0.257 332 Q C 0.666 176.600 176.000 -0.111 0.000 0.975 332 Q CA -0.501 55.219 55.803 -0.137 0.000 0.933 332 Q CB 1.426 30.094 28.738 -0.116 0.000 1.195 332 Q HN 0.347 nan 8.270 nan 0.000 0.426 333 V N 2.828 122.664 119.914 -0.130 0.000 2.446 333 V HA -0.099 4.020 4.120 -0.000 0.000 0.244 333 V C 1.104 177.152 176.094 -0.076 0.000 1.039 333 V CA 1.411 63.653 62.300 -0.097 0.000 1.045 333 V CB -0.050 31.704 31.823 -0.114 0.000 0.681 333 V HN 0.894 nan 8.190 nan 0.000 0.459 334 S N 0.205 115.812 115.700 -0.155 0.000 2.617 334 S HA 0.404 4.874 4.470 -0.000 0.000 0.255 334 S C -0.328 174.253 174.600 -0.032 0.000 1.318 334 S CA -0.258 57.887 58.200 -0.092 0.000 0.978 334 S CB 0.587 63.684 63.200 -0.171 0.000 0.961 334 S HN 0.225 nan 8.310 nan 0.000 0.582 335 I N 1.100 121.670 120.570 0.001 0.000 2.433 335 I HA 0.576 4.746 4.170 -0.000 0.000 0.292 335 I C 1.140 177.250 176.117 -0.013 0.000 1.001 335 I CA -0.128 61.171 61.300 -0.002 0.000 1.119 335 I CB 1.025 39.036 38.000 0.018 0.000 1.289 335 I HN 1.139 nan 8.210 nan 0.000 0.438 336 G N 5.336 114.126 108.800 -0.017 0.000 2.582 336 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.288 336 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.288 336 G C 0.291 175.176 174.900 -0.025 0.000 1.247 336 G CA 0.553 45.646 45.100 -0.013 0.000 0.972 336 G HN 0.897 nan 8.290 nan 0.000 0.557 337 D N 1.583 121.977 120.400 -0.010 0.000 2.460 337 D HA 0.145 4.785 4.640 -0.000 0.000 0.229 337 D C 0.865 177.155 176.300 -0.017 0.000 1.170 337 D CA 0.631 54.624 54.000 -0.012 0.000 0.827 337 D CB -0.554 40.258 40.800 0.021 0.000 0.973 337 D HN 0.951 nan 8.370 nan 0.000 0.496 338 E N 0.497 120.685 120.200 -0.020 0.000 2.360 338 E HA 0.038 4.387 4.350 -0.000 0.000 0.269 338 E C -0.348 176.237 176.600 -0.024 0.000 1.022 338 E CA -0.590 55.800 56.400 -0.016 0.000 0.887 338 E CB 0.446 30.145 29.700 -0.001 0.000 0.990 338 E HN -0.053 nan 8.360 nan 0.000 0.426 339 N N 2.674 121.358 118.700 -0.027 0.000 2.431 339 N HA 0.013 4.753 4.740 -0.000 0.000 0.265 339 N C -0.918 174.588 175.510 -0.007 0.000 1.184 339 N CA 0.187 53.222 53.050 -0.025 0.000 0.943 339 N CB 0.935 39.397 38.487 -0.042 0.000 1.080 339 N HN 0.566 nan 8.380 nan 0.000 0.477 340 S N -0.115 115.585 115.700 -0.001 0.000 2.620 340 S HA 0.583 5.052 4.470 -0.000 0.000 0.244 340 S C 0.365 174.969 174.600 0.008 0.000 1.192 340 S CA -0.862 57.355 58.200 0.028 0.000 1.148 340 S CB 1.302 64.487 63.200 -0.026 0.000 1.106 340 S HN 0.519 nan 8.310 nan 0.000 0.474 341 A N 2.674 125.548 122.820 0.090 0.000 1.908 341 A HA 0.479 4.798 4.320 -0.000 0.000 0.217 341 A C 0.048 177.779 177.584 0.245 0.000 1.378 341 A CA 0.559 52.685 52.037 0.148 0.000 0.613 341 A CB -0.525 18.605 19.000 0.216 0.000 1.053 341 A HN 0.709 nan 8.150 nan 0.000 0.484 342 Y N 0.619 120.919 120.300 -0.001 0.000 2.301 342 Y HA 0.521 5.071 4.550 -0.000 0.000 0.328 342 Y C 0.827 176.737 175.900 0.017 0.000 1.242 342 Y CA -0.948 57.142 58.100 -0.016 0.000 1.323 342 Y CB 0.827 39.285 38.460 -0.003 0.000 1.266 342 Y HN 0.491 nan 8.280 nan 0.000 0.527 343 S N -0.270 115.506 115.700 0.127 0.000 2.588 343 S HA 0.736 5.205 4.470 -0.000 0.000 0.269 343 S C -1.117 173.532 174.600 0.082 0.000 1.157 343 S CA -0.946 57.322 58.200 0.114 0.000 0.824 343 S CB 2.048 65.272 63.200 0.040 0.000 1.126 343 S HN 0.515 nan 8.310 nan 0.000 0.464 344 S N 0.335 116.102 115.700 0.112 0.000 2.619 344 S HA 0.665 5.135 4.470 -0.000 0.000 0.280 344 S C -1.527 173.158 174.600 0.140 0.000 1.150 344 S CA -0.482 57.788 58.200 0.116 0.000 0.978 344 S CB 1.211 64.486 63.200 0.124 0.000 1.041 344 S HN 0.864 nan 8.310 nan 0.000 0.485 345 V N 5.308 125.304 119.914 0.136 0.000 2.459 345 V HA 0.694 4.814 4.120 -0.000 0.000 0.295 345 V C -0.564 175.646 176.094 0.194 0.000 1.029 345 V CA -0.677 61.718 62.300 0.158 0.000 0.874 345 V CB 1.432 33.330 31.823 0.125 0.000 0.985 345 V HN 0.783 nan 8.190 nan 0.000 0.438 346 L N 5.144 126.518 121.223 0.251 0.000 2.410 346 L HA 0.615 4.955 4.340 -0.000 0.000 0.270 346 L C -1.553 175.546 176.870 0.382 0.000 0.983 346 L CA -0.445 54.565 54.840 0.284 0.000 0.822 346 L CB 1.888 44.101 42.059 0.256 0.000 1.285 346 L HN 0.627 nan 8.230 nan 0.000 0.409 347 Y N 5.046 125.456 120.300 0.184 0.000 2.334 347 Y HA 0.585 5.135 4.550 -0.000 0.000 0.336 347 Y C -0.905 175.097 175.900 0.169 0.000 0.960 347 Y CA -0.641 57.560 58.100 0.168 0.000 1.164 347 Y CB 0.866 39.394 38.460 0.113 0.000 1.155 347 Y HN 0.680 nan 8.280 nan 0.000 0.478 348 K N 5.567 125.910 120.400 -0.094 0.000 2.601 348 K HA 0.272 4.591 4.320 -0.000 0.000 0.249 348 K C -1.153 175.352 176.600 -0.157 0.000 0.966 348 K CA -0.427 55.803 56.287 -0.095 0.000 0.827 348 K CB 0.804 33.340 32.500 0.060 0.000 1.178 348 K HN 0.727 nan 8.250 nan 0.000 0.437 349 D N 3.905 124.174 120.400 -0.219 0.000 2.689 349 D HA -0.191 4.449 4.640 -0.000 0.000 0.237 349 D C -0.451 175.730 176.300 -0.199 0.000 1.148 349 D CA 1.842 55.748 54.000 -0.156 0.000 0.656 349 D CB -0.811 39.957 40.800 -0.053 0.000 1.050 349 D HN 1.011 nan 8.370 nan 0.000 0.426 350 D N -1.027 119.111 120.400 -0.436 0.000 2.870 350 D HA -0.206 4.434 4.640 -0.000 0.000 0.228 350 D C -0.405 175.834 176.300 -0.100 0.000 1.147 350 D CA 1.344 55.188 54.000 -0.259 0.000 0.757 350 D CB -0.300 40.473 40.800 -0.045 0.000 1.091 350 D HN 0.520 nan 8.370 nan 0.000 0.429 351 K N -0.555 119.750 120.400 -0.158 0.000 2.477 351 K HA 0.673 4.992 4.320 -0.000 0.000 0.255 351 K C -1.127 175.469 176.600 -0.008 0.000 0.952 351 K CA -1.039 55.209 56.287 -0.064 0.000 0.826 351 K CB 2.120 34.564 32.500 -0.094 0.000 1.331 351 K HN 0.007 nan 8.250 nan 0.000 0.437 352 L N 2.272 123.387 121.223 -0.181 0.000 2.346 352 L HA 0.568 4.908 4.340 -0.000 0.000 0.274 352 L C -1.731 174.902 176.870 -0.395 0.000 1.007 352 L CA -0.276 54.530 54.840 -0.057 0.000 0.818 352 L CB 1.085 43.174 42.059 0.050 0.000 1.284 352 L HN 0.551 nan 8.230 nan 0.000 0.424 353 Y N 2.292 122.622 120.300 0.049 0.000 2.615 353 Y HA 0.674 5.224 4.550 -0.000 0.000 0.341 353 Y C -0.652 175.240 175.900 -0.013 0.000 1.089 353 Y CA -0.880 57.183 58.100 -0.062 0.000 1.049 353 Y CB 2.005 40.431 38.460 -0.057 0.000 1.296 353 Y HN 0.657 nan 8.280 nan 0.000 0.470 354 C N 2.362 121.717 119.300 0.091 0.000 2.811 354 C HA 0.745 5.205 4.460 -0.000 0.000 0.352 354 C C -1.820 173.252 174.990 0.136 0.000 1.098 354 C CA -0.662 58.436 59.018 0.133 0.000 1.295 354 C CB 0.283 28.100 27.740 0.128 0.000 1.758 354 C HN 0.789 nan 8.230 nan 0.000 0.488 355 L N 6.690 128.027 121.223 0.191 0.000 2.313 355 L HA 0.871 5.211 4.340 -0.000 0.000 0.283 355 L C -0.384 176.578 176.870 0.153 0.000 1.013 355 L CA 0.555 55.493 54.840 0.162 0.000 0.816 355 L CB 1.016 43.189 42.059 0.191 0.000 1.236 355 L HN 0.967 nan 8.230 nan 0.000 0.419 356 H N 1.141 120.248 119.070 0.061 0.000 3.037 356 H HA 0.580 5.136 4.556 -0.000 0.000 0.355 356 H C -1.194 174.161 175.328 0.045 0.000 1.263 356 H CA -0.959 55.117 56.048 0.047 0.000 1.129 356 H CB 0.773 30.555 29.762 0.033 0.000 1.861 356 H HN 0.574 nan 8.280 nan 0.000 0.546 357 E N 1.020 121.381 120.200 0.269 0.000 2.392 357 E HA 0.326 4.676 4.350 -0.000 0.000 0.259 357 E C -0.097 176.653 176.600 0.250 0.000 1.108 357 E CA -0.170 56.353 56.400 0.206 0.000 0.916 357 E CB 0.976 30.798 29.700 0.203 0.000 0.989 357 E HN 0.552 nan 8.360 nan 0.000 0.432 358 I N -0.733 119.913 120.570 0.127 0.000 2.619 358 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 358 I C -1.231 174.850 176.117 -0.060 0.000 1.100 358 I CA -0.857 60.479 61.300 0.060 0.000 1.043 358 I CB 2.123 40.147 38.000 0.040 0.000 1.239 358 I HN 0.398 nan 8.210 nan 0.000 0.420 359 N N 3.600 122.205 118.700 -0.159 0.000 2.295 359 N HA 0.577 5.317 4.740 -0.000 0.000 0.293 359 N C -1.648 173.702 175.510 -0.267 0.000 1.040 359 N CA -0.257 52.546 53.050 -0.413 0.000 0.840 359 N CB 2.200 40.309 38.487 -0.629 0.000 1.468 359 N HN 0.721 nan 8.380 nan 0.000 0.478 360 S N 1.784 117.324 115.700 -0.267 0.000 2.548 360 S HA 0.298 4.768 4.470 -0.000 0.000 0.276 360 S C -0.455 174.068 174.600 -0.128 0.000 1.129 360 S CA -0.647 57.465 58.200 -0.148 0.000 0.931 360 S CB 1.237 64.381 63.200 -0.092 0.000 1.068 360 S HN 0.792 nan 8.310 nan 0.000 0.480 361 N N 2.733 121.390 118.700 -0.073 0.000 2.686 361 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 361 N C -0.402 175.095 175.510 -0.021 0.000 1.082 361 N CA 1.318 54.349 53.050 -0.031 0.000 0.725 361 N CB -0.884 37.595 38.487 -0.012 0.000 1.009 361 N HN 0.735 nan 8.380 nan 0.000 0.545 362 E N -3.597 116.556 120.200 -0.079 0.000 2.513 362 E HA -0.202 4.148 4.350 -0.000 0.000 0.257 362 E C -0.633 176.008 176.600 0.068 0.000 1.098 362 E CA 0.875 57.266 56.400 -0.016 0.000 0.752 362 E CB -1.876 27.899 29.700 0.126 0.000 1.324 362 E HN 0.395 nan 8.360 nan 0.000 0.403 363 V N 0.591 120.438 119.914 -0.112 0.000 2.540 363 V HA 0.544 4.663 4.120 -0.000 0.000 0.302 363 V C -0.293 175.715 176.094 -0.144 0.000 1.035 363 V CA -0.746 61.511 62.300 -0.072 0.000 0.873 363 V CB 1.391 33.120 31.823 -0.156 0.000 0.992 363 V HN 0.081 nan 8.190 nan 0.000 0.428 364 Y N 1.286 121.537 120.300 -0.082 0.000 2.409 364 Y HA 0.735 5.284 4.550 -0.000 0.000 0.343 364 Y C 0.499 176.415 175.900 0.026 0.000 0.973 364 Y CA -0.546 57.537 58.100 -0.029 0.000 1.064 364 Y CB 2.452 40.891 38.460 -0.035 0.000 1.207 364 Y HN 0.628 nan 8.280 nan 0.000 0.452 365 S N 2.543 118.345 115.700 0.169 0.000 2.677 365 S HA 0.755 5.225 4.470 -0.000 0.000 0.304 365 S C -1.175 173.474 174.600 0.082 0.000 1.108 365 S CA -0.937 57.346 58.200 0.137 0.000 0.944 365 S CB 1.432 64.666 63.200 0.057 0.000 1.127 365 S HN 0.450 nan 8.310 nan 0.000 0.511 366 L N 1.959 123.200 121.223 0.029 0.000 2.362 366 L HA 0.670 5.010 4.340 -0.000 0.000 0.275 366 L C -0.585 176.270 176.870 -0.024 0.000 0.998 366 L CA -1.007 53.811 54.840 -0.038 0.000 0.820 366 L CB 1.653 43.607 42.059 -0.175 0.000 1.270 366 L HN 0.486 nan 8.230 nan 0.000 0.415 367 V N -0.460 119.378 119.914 -0.126 0.000 2.732 367 V HA 0.567 4.687 4.120 -0.000 0.000 0.310 367 V C -0.913 175.174 176.094 -0.012 0.000 1.053 367 V CA -0.718 61.517 62.300 -0.109 0.000 0.957 367 V CB 1.997 33.679 31.823 -0.235 0.000 1.018 367 V HN 0.548 nan 8.190 nan 0.000 0.452 368 F N 3.026 122.928 119.950 -0.080 0.000 2.449 368 F HA 0.863 5.390 4.527 -0.000 0.000 0.342 368 F C 0.113 175.953 175.800 0.067 0.000 1.127 368 F CA -0.557 57.449 58.000 0.010 0.000 0.975 368 F CB 0.959 39.973 39.000 0.022 0.000 1.146 368 F HN 0.982 nan 8.300 nan 0.000 0.444 369 A N 6.529 129.102 122.820 -0.412 0.000 2.365 369 A HA 0.777 5.097 4.320 -0.000 0.000 0.318 369 A C -0.918 176.450 177.584 -0.360 0.000 1.091 369 A CA -0.972 50.899 52.037 -0.275 0.000 0.763 369 A CB 1.215 20.162 19.000 -0.088 0.000 1.248 369 A HN 0.788 nan 8.150 nan 0.000 0.442 370 R N 2.382 122.746 120.500 -0.226 0.000 2.239 370 R HA 0.316 4.655 4.340 -0.000 0.000 0.332 370 R C -0.980 175.212 176.300 -0.180 0.000 0.988 370 R CA -0.349 55.606 56.100 -0.242 0.000 0.859 370 R CB 0.716 30.932 30.300 -0.140 0.000 1.148 370 R HN 0.636 nan 8.270 nan 0.000 0.482 371 L N 3.836 124.942 121.223 -0.196 0.000 2.437 371 L HA 0.075 4.415 4.340 -0.000 0.000 0.243 371 L C 1.514 178.317 176.870 -0.111 0.000 1.346 371 L CA -0.291 54.480 54.840 -0.116 0.000 1.233 371 L CB -0.113 41.899 42.059 -0.078 0.000 1.436 371 L HN 0.475 nan 8.230 nan 0.000 0.416 372 V N 1.308 121.162 119.914 -0.101 0.000 2.343 372 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 372 V C 2.479 178.542 176.094 -0.051 0.000 1.051 372 V CA 2.332 64.586 62.300 -0.077 0.000 1.036 372 V CB -0.641 31.148 31.823 -0.057 0.000 0.654 372 V HN 0.836 nan 8.190 nan 0.000 0.451 373 G N -0.480 108.296 108.800 -0.041 0.000 2.408 373 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 373 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 373 G C 1.422 176.306 174.900 -0.026 0.000 1.150 373 G CA 0.724 45.807 45.100 -0.028 0.000 0.776 373 G HN 0.521 nan 8.290 nan 0.000 0.542 374 E N 0.019 120.201 120.200 -0.031 0.000 2.077 374 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 374 E C 2.270 178.851 176.600 -0.031 0.000 0.989 374 E CA 0.336 56.721 56.400 -0.024 0.000 0.800 374 E CB -0.416 29.270 29.700 -0.024 0.000 0.746 374 E HN 0.320 nan 8.360 nan 0.000 0.452 375 L N 0.872 122.075 121.223 -0.034 0.000 2.131 375 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 375 L C 2.187 179.032 176.870 -0.042 0.000 1.092 375 L CA 1.694 56.515 54.840 -0.032 0.000 0.759 375 L CB -0.284 41.771 42.059 -0.007 0.000 0.903 375 L HN 0.012 nan 8.230 nan 0.000 0.435 376 R N -0.390 120.087 120.500 -0.038 0.000 2.062 376 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 376 R C 2.343 178.606 176.300 -0.061 0.000 1.136 376 R CA 1.872 57.947 56.100 -0.041 0.000 0.948 376 R CB -0.369 29.914 30.300 -0.029 0.000 0.845 376 R HN 0.405 nan 8.270 nan 0.000 0.430 377 I N 0.985 121.523 120.570 -0.054 0.000 2.208 377 I HA -0.328 3.841 4.170 -0.000 0.000 0.245 377 I C 2.368 178.387 176.117 -0.163 0.000 1.097 377 I CA 1.364 62.619 61.300 -0.074 0.000 1.363 377 I CB -0.259 37.735 38.000 -0.010 0.000 1.051 377 I HN 0.254 nan 8.210 nan 0.000 0.413 378 I N 0.624 121.108 120.570 -0.143 0.000 2.208 378 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 378 I C 2.535 178.514 176.117 -0.231 0.000 1.097 378 I CA 1.575 62.752 61.300 -0.205 0.000 1.363 378 I CB -0.405 37.513 38.000 -0.137 0.000 1.051 378 I HN 0.199 nan 8.210 nan 0.000 0.413 379 K N -0.000 120.308 120.400 -0.153 0.000 2.097 379 K HA -0.165 4.154 4.320 -0.000 0.000 0.206 379 K C 2.363 178.874 176.600 -0.148 0.000 1.049 379 K CA 1.619 57.830 56.287 -0.127 0.000 0.933 379 K CB -0.210 32.248 32.500 -0.071 0.000 0.717 379 K HN 0.208 nan 8.250 nan 0.000 0.442 380 S N 0.621 116.230 115.700 -0.152 0.000 2.357 380 S HA -0.092 4.378 4.470 -0.000 0.000 0.221 380 S C 2.040 176.517 174.600 -0.205 0.000 1.031 380 S CA 0.951 59.067 58.200 -0.139 0.000 0.982 380 S CB -0.115 63.023 63.200 -0.102 0.000 0.853 380 S HN 0.057 nan 8.310 nan 0.000 0.458 381 V N 2.297 122.005 119.914 -0.343 0.000 2.343 381 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 381 V C 2.420 178.112 176.094 -0.670 0.000 1.051 381 V CA 1.742 63.721 62.300 -0.534 0.000 1.036 381 V CB -0.761 30.541 31.823 -0.869 0.000 0.654 381 V HN 0.477 nan 8.190 nan 0.000 0.451 382 L N -0.448 120.439 121.223 -0.561 0.000 2.191 382 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 382 L C 2.588 179.387 176.870 -0.119 0.000 1.103 382 L CA 1.330 55.932 54.840 -0.396 0.000 0.769 382 L CB -0.416 41.498 42.059 -0.241 0.000 0.908 382 L HN 0.371 nan 8.230 nan 0.000 0.438 383 Q N -0.012 119.714 119.800 -0.123 0.000 2.020 383 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 383 Q C 2.312 178.293 176.000 -0.031 0.000 0.974 383 Q CA 2.029 57.797 55.803 -0.057 0.000 0.829 383 Q CB -0.058 28.634 28.738 -0.077 0.000 0.894 383 Q HN 0.352 nan 8.270 nan 0.000 0.433 384 S N -0.293 115.388 115.700 -0.031 0.000 2.400 384 S HA -0.144 4.325 4.470 -0.000 0.000 0.232 384 S C 1.275 176.038 174.600 0.271 0.000 1.025 384 S CA 1.097 59.319 58.200 0.036 0.000 0.993 384 S CB -0.443 62.853 63.200 0.161 0.000 0.808 384 S HN 0.444 nan 8.310 nan 0.000 0.478 385 W N 1.963 123.334 121.300 0.118 0.000 2.378 385 W HA 0.126 4.786 4.660 -0.000 0.000 0.313 385 W C 2.414 179.050 176.519 0.195 0.000 1.197 385 W CA 0.072 57.567 57.345 0.250 0.000 1.304 385 W CB -1.161 28.455 29.460 0.260 0.000 1.148 385 W HN 0.251 nan 8.180 nan 0.000 0.494 386 K N 0.171 120.775 120.400 0.341 0.000 2.074 386 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 386 K C 1.728 178.401 176.600 0.122 0.000 1.048 386 K CA 1.872 58.279 56.287 0.199 0.000 0.926 386 K CB -0.236 32.335 32.500 0.118 0.000 0.713 386 K HN -0.019 nan 8.250 nan 0.000 0.444 387 N N -0.268 118.442 118.700 0.016 0.000 2.171 387 N HA -0.110 4.629 4.740 -0.000 0.000 0.184 387 N C 1.462 176.922 175.510 -0.084 0.000 1.021 387 N CA 1.286 54.256 53.050 -0.132 0.000 0.854 387 N CB -0.357 37.892 38.487 -0.396 0.000 0.994 387 N HN 0.342 nan 8.380 nan 0.000 0.426 388 W N 1.467 122.811 121.300 0.074 0.000 2.409 388 W HA -0.061 4.598 4.660 -0.000 0.000 0.299 388 W C 1.820 178.425 176.519 0.143 0.000 1.203 388 W CA 0.106 57.482 57.345 0.052 0.000 1.298 388 W CB -0.138 29.213 29.460 -0.182 0.000 1.127 388 W HN -0.008 nan 8.180 nan 0.000 0.528 389 D N -0.298 120.343 120.400 0.400 0.000 2.123 389 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 389 D C 2.271 178.689 176.300 0.197 0.000 0.992 389 D CA 1.983 56.160 54.000 0.295 0.000 0.833 389 D CB -0.776 40.182 40.800 0.265 0.000 0.954 389 D HN 0.018 nan 8.370 nan 0.000 0.455 390 S N -0.715 115.088 115.700 0.172 0.000 2.368 390 S HA -0.227 4.243 4.470 -0.000 0.000 0.224 390 S C 2.022 176.702 174.600 0.133 0.000 1.029 390 S CA 1.499 59.771 58.200 0.120 0.000 0.988 390 S CB -0.363 62.890 63.200 0.090 0.000 0.838 390 S HN 0.378 nan 8.310 nan 0.000 0.462 391 H N 1.017 120.150 119.070 0.105 0.000 2.387 391 H HA 0.050 4.606 4.556 -0.000 0.000 0.299 391 H C 1.868 177.277 175.328 0.136 0.000 1.099 391 H CA 2.134 58.260 56.048 0.129 0.000 1.315 391 H CB -0.402 29.463 29.762 0.170 0.000 1.380 391 H HN 0.400 nan 8.280 nan 0.000 0.513 392 L N 0.037 121.307 121.223 0.078 0.000 2.044 392 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 392 L C 1.359 178.204 176.870 -0.041 0.000 1.075 392 L CA 0.687 55.518 54.840 -0.016 0.000 0.747 392 L CB -0.418 41.672 42.059 0.053 0.000 0.903 392 L HN 0.269 nan 8.230 nan 0.000 0.435 393 S N -1.598 114.106 115.700 0.007 0.000 2.617 393 S HA 0.217 4.687 4.470 -0.000 0.000 0.259 393 S C 0.968 175.553 174.600 -0.025 0.000 1.301 393 S CA -0.094 58.105 58.200 -0.003 0.000 0.984 393 S CB 1.612 64.824 63.200 0.019 0.000 0.954 393 S HN 0.261 nan 8.310 nan 0.000 0.572 394 S N -1.031 114.657 115.700 -0.020 0.000 2.427 394 S HA -0.160 4.310 4.470 -0.000 0.000 0.253 394 S C 0.173 174.746 174.600 -0.044 0.000 1.246 394 S CA 0.751 58.938 58.200 -0.022 0.000 1.421 394 S CB -1.540 61.655 63.200 -0.008 0.000 1.769 394 S HN 0.686 nan 8.310 nan 0.000 0.620 395 I N 1.892 122.418 120.570 -0.073 0.000 2.471 395 I HA 0.118 4.288 4.170 -0.000 0.000 0.286 395 I C 1.016 177.107 176.117 -0.042 0.000 1.079 395 I CA -0.115 61.140 61.300 -0.075 0.000 1.398 395 I CB 0.803 38.744 38.000 -0.099 0.000 1.403 395 I HN 0.477 nan 8.210 nan 0.000 0.530 396 c N 7.514 126.096 118.600 -0.030 0.000 2.442 396 c HA 0.323 4.893 4.570 -0.000 0.000 0.362 396 c C 1.003 175.076 174.090 -0.028 0.000 1.242 396 c CA -0.490 55.825 56.329 -0.024 0.000 1.741 396 c CB -0.959 41.541 42.510 -0.016 0.000 2.378 396 c HN 0.843 nan 8.230 nan 0.000 0.549 397 T N 5.303 119.838 114.554 -0.032 0.000 2.913 397 T HA 0.526 4.876 4.350 -0.000 0.000 0.287 397 T C -2.658 172.018 174.700 -0.040 0.000 1.008 397 T CA -1.452 60.625 62.100 -0.039 0.000 1.067 397 T CB 1.109 69.953 68.868 -0.041 0.000 0.996 397 T HN 0.564 nan 8.240 nan 0.000 0.513 398 P HA 0.342 nan 4.420 nan 0.000 0.268 398 P C -0.206 177.068 177.300 -0.044 0.000 1.204 398 P CA -0.273 62.796 63.100 -0.052 0.000 0.768 398 P CB 0.216 31.871 31.700 -0.076 0.000 0.842 410 c N 1.374 119.966 118.600 -0.013 0.000 2.454 410 c HA 0.857 5.427 4.570 -0.000 0.000 0.336 410 c C 1.277 175.357 174.090 -0.018 0.000 1.189 410 c CA 0.160 56.479 56.329 -0.016 0.000 1.877 410 c CB 0.803 43.303 42.510 -0.016 0.000 2.348 410 c HN 0.997 nan 8.230 nan 0.000 0.508 411 G N 1.457 110.244 108.800 -0.022 0.000 2.535 411 G HA2 0.538 4.498 3.960 -0.000 0.000 0.282 411 G HA3 0.538 4.498 3.960 -0.000 0.000 0.282 411 G C -2.733 172.154 174.900 -0.022 0.000 1.350 411 G CA -0.504 44.582 45.100 -0.023 0.000 1.039 411 G HN 0.568 nan 8.290 nan 0.000 0.509 412 P HA 0.371 nan 4.420 nan 0.000 0.269 412 P C -0.205 177.081 177.300 -0.025 0.000 1.215 412 P CA -0.091 62.995 63.100 -0.023 0.000 0.780 412 P CB 0.845 32.530 31.700 -0.025 0.000 0.898 413 A N 2.297 125.104 122.820 -0.022 0.000 2.304 413 A HA 0.351 4.671 4.320 -0.000 0.000 0.271 413 A C -0.140 177.431 177.584 -0.021 0.000 1.091 413 A CA -0.590 51.434 52.037 -0.021 0.000 0.812 413 A CB 0.139 19.129 19.000 -0.015 0.000 1.056 413 A HN 0.385 nan 8.150 nan 0.000 0.489 414 V N 1.496 121.398 119.914 -0.019 0.000 2.617 414 V HA 0.122 4.242 4.120 -0.000 0.000 0.304 414 V C 1.216 177.315 176.094 0.008 0.000 1.040 414 V CA 0.590 62.884 62.300 -0.010 0.000 1.149 414 V CB 0.636 32.451 31.823 -0.013 0.000 0.914 414 V HN 0.956 nan 8.190 nan 0.000 0.487 415 T N 3.327 117.892 114.554 0.019 0.000 2.897 415 T HA 0.307 4.657 4.350 -0.000 0.000 0.294 415 T C 0.931 175.706 174.700 0.124 0.000 1.004 415 T CA 0.183 62.308 62.100 0.043 0.000 1.106 415 T CB 0.921 69.785 68.868 -0.007 0.000 0.949 415 T HN 1.028 nan 8.240 nan 0.000 0.520 416 T N 0.892 115.494 114.554 0.080 0.000 3.043 416 T HA 0.252 4.602 4.350 -0.000 0.000 0.272 416 T C 0.299 175.010 174.700 0.019 0.000 0.990 416 T CA -0.268 61.859 62.100 0.045 0.000 0.897 416 T CB 0.037 68.923 68.868 0.031 0.000 1.111 416 T HN 0.358 nan 8.240 nan 0.000 0.529 417 V N 2.583 122.526 119.914 0.048 0.000 2.397 417 V HA 0.550 4.669 4.120 -0.000 0.000 0.262 417 V C 1.531 177.641 176.094 0.026 0.000 1.047 417 V CA 0.850 63.158 62.300 0.013 0.000 1.003 417 V CB -0.363 31.461 31.823 0.003 0.000 1.037 417 V HN 0.860 nan 8.190 nan 0.000 0.480 418 G N 4.404 113.166 108.800 -0.063 0.000 2.141 418 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.231 418 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.231 418 G C -0.262 174.499 174.900 -0.231 0.000 0.984 418 G CA 0.011 45.041 45.100 -0.116 0.000 0.660 418 G HN 0.770 nan 8.290 nan 0.000 0.525 419 L N 1.235 122.228 121.223 -0.384 0.000 2.313 419 L HA 0.709 5.049 4.340 -0.000 0.000 0.282 419 L C 1.114 177.554 176.870 -0.716 0.000 1.092 419 L CA 0.167 54.542 54.840 -0.775 0.000 0.831 419 L CB 1.581 43.187 42.059 -0.756 0.000 1.159 419 L HN 0.030 nan 8.230 nan 0.000 0.442 420 V N 4.219 123.752 119.914 -0.635 0.000 3.048 420 V HA 0.514 4.633 4.120 -0.000 0.000 0.241 420 V C 0.926 176.813 176.094 -0.345 0.000 1.129 420 V CA 0.660 62.672 62.300 -0.480 0.000 1.128 420 V CB 0.329 31.959 31.823 -0.323 0.000 0.849 420 V HN 0.887 nan 8.190 nan 0.000 0.475 421 G N -1.131 107.540 108.800 -0.216 0.000 2.690 421 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 421 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 421 G C -2.030 173.088 174.900 0.363 0.000 1.399 421 G CA -0.439 44.785 45.100 0.206 0.000 0.890 421 G HN -0.008 nan 8.290 nan 0.000 0.485 422 F N 1.178 121.269 119.950 0.235 0.000 2.630 422 F HA 0.558 5.085 4.527 -0.000 0.000 0.325 422 F C -1.413 174.270 175.800 -0.195 0.000 1.184 422 F CA -1.091 56.920 58.000 0.018 0.000 1.011 422 F CB 1.460 40.488 39.000 0.047 0.000 1.268 422 F HN 0.298 nan 8.300 nan 0.000 0.480 423 L N 6.208 127.087 121.223 -0.574 0.000 2.298 423 L HA 0.540 4.880 4.340 -0.000 0.000 0.284 423 L C -0.086 176.265 176.870 -0.865 0.000 1.013 423 L CA -0.161 54.060 54.840 -1.032 0.000 0.824 423 L CB 1.591 42.575 42.059 -1.791 0.000 1.221 423 L HN 0.683 nan 8.230 nan 0.000 0.418 424 S N 0.358 115.724 115.700 -0.556 0.000 4.019 424 S HA 0.132 4.602 4.470 -0.000 0.000 0.199 424 S C 1.007 175.683 174.600 0.128 0.000 1.177 424 S CA 0.048 58.109 58.200 -0.233 0.000 1.478 424 S CB 0.097 62.910 63.200 -0.645 0.000 1.580 424 S HN 0.794 nan 8.310 nan 0.000 0.766 425 H N 1.469 120.495 119.070 -0.074 0.000 2.363 425 H HA 0.391 4.947 4.556 -0.000 0.000 0.301 425 H C 0.951 176.282 175.328 0.005 0.000 1.074 425 H CA 1.728 57.768 56.048 -0.013 0.000 1.354 425 H CB -0.378 29.373 29.762 -0.018 0.000 1.397 425 H HN 0.280 nan 8.280 nan 0.000 0.516 426 S N -0.115 115.610 115.700 0.043 0.000 2.549 426 S HA 0.494 4.964 4.470 -0.000 0.000 0.283 426 S C -0.646 173.964 174.600 0.017 0.000 1.320 426 S CA 0.107 58.318 58.200 0.017 0.000 1.058 426 S CB -0.129 63.103 63.200 0.053 0.000 0.882 426 S HN 0.638 nan 8.310 nan 0.000 0.498 427 A N 3.369 126.163 122.820 -0.042 0.000 2.590 427 A HA 0.648 4.968 4.320 -0.000 0.000 0.294 427 A C -0.150 177.398 177.584 -0.061 0.000 1.046 427 A CA -0.487 51.521 52.037 -0.047 0.000 0.684 427 A CB 0.824 19.713 19.000 -0.185 0.000 1.279 427 A HN 0.935 nan 8.150 nan 0.000 0.415 428 T N -1.341 113.192 114.554 -0.035 0.000 2.844 428 T HA 0.561 4.911 4.350 -0.000 0.000 0.274 428 T C 0.998 175.668 174.700 -0.051 0.000 0.991 428 T CA 0.082 62.163 62.100 -0.032 0.000 0.983 428 T CB 1.074 69.943 68.868 0.003 0.000 1.310 428 T HN 0.708 nan 8.240 nan 0.000 0.596 429 K N 0.458 120.837 120.400 -0.036 0.000 2.148 429 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 429 K C 1.821 178.406 176.600 -0.025 0.000 1.050 429 K CA 2.144 58.407 56.287 -0.040 0.000 0.942 429 K CB -0.798 31.686 32.500 -0.027 0.000 0.724 429 K HN 0.837 nan 8.250 nan 0.000 0.446 430 T N -2.843 111.711 114.554 -0.001 0.000 3.145 430 T HA 0.337 4.687 4.350 -0.000 0.000 0.281 430 T C -0.314 174.413 174.700 0.045 0.000 1.003 430 T CA -0.695 61.417 62.100 0.020 0.000 0.901 430 T CB 0.087 68.971 68.868 0.026 0.000 1.112 430 T HN 0.088 nan 8.240 nan 0.000 0.535 431 E N 0.094 120.320 120.200 0.044 0.000 2.343 431 E HA 0.303 4.653 4.350 -0.000 0.000 0.278 431 E C -1.985 174.691 176.600 0.127 0.000 0.910 431 E CA -0.849 55.605 56.400 0.090 0.000 0.757 431 E CB 1.659 31.411 29.700 0.087 0.000 1.218 431 E HN 0.215 nan 8.360 nan 0.000 0.435 432 W N 3.579 124.847 121.300 -0.055 0.000 2.314 432 W HA 0.260 4.920 4.660 -0.000 0.000 0.310 432 W C -0.466 175.983 176.519 -0.117 0.000 1.075 432 W CA -0.938 56.342 57.345 -0.109 0.000 1.253 432 W CB 0.548 29.921 29.460 -0.144 0.000 1.238 432 W HN 0.500 nan 8.180 nan 0.000 0.440 433 E N 3.091 123.410 120.200 0.198 0.000 2.289 433 E HA -0.021 4.329 4.350 -0.000 0.000 0.278 433 E C -0.425 176.147 176.600 -0.046 0.000 1.032 433 E CA -0.297 56.144 56.400 0.067 0.000 0.854 433 E CB 1.022 30.771 29.700 0.081 0.000 1.046 433 E HN 0.196 nan 8.360 nan 0.000 0.409 434 D N 2.159 122.579 120.400 0.034 0.000 2.371 434 D HA 0.057 4.697 4.640 -0.000 0.000 0.256 434 D C 0.624 176.975 176.300 0.085 0.000 1.193 434 D CA -0.025 54.032 54.000 0.094 0.000 0.881 434 D CB 1.259 42.249 40.800 0.318 0.000 1.143 434 D HN 0.475 nan 8.370 nan 0.000 0.473 435 A N 3.865 126.652 122.820 -0.054 0.000 2.070 435 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 435 A C 1.345 178.897 177.584 -0.053 0.000 1.159 435 A CA 1.056 52.950 52.037 -0.238 0.000 0.656 435 A CB -0.631 17.917 19.000 -0.753 0.000 0.800 435 A HN 0.731 nan 8.150 nan 0.000 0.453 436 Y N -1.516 118.925 120.300 0.234 0.000 2.466 436 Y HA 0.229 4.778 4.550 -0.000 0.000 0.272 436 Y C 0.920 177.126 175.900 0.510 0.000 1.169 436 Y CA 0.334 58.670 58.100 0.394 0.000 1.285 436 Y CB 0.072 38.655 38.460 0.204 0.000 1.078 436 Y HN 0.333 nan 8.280 nan 0.000 0.523 437 R N -2.509 118.280 120.500 0.481 0.000 3.770 437 R HA -0.256 4.084 4.340 -0.000 0.000 0.305 437 R C 0.542 177.174 176.300 0.553 0.000 1.184 437 R CA 0.700 57.073 56.100 0.454 0.000 0.823 437 R CB -2.477 28.068 30.300 0.409 0.000 1.285 437 R HN 0.433 nan 8.270 nan 0.000 0.499 438 C N -1.261 118.348 119.300 0.515 0.000 2.487 438 C HA 0.244 4.704 4.460 -0.000 0.000 0.311 438 C C 0.788 175.936 174.990 0.263 0.000 1.367 438 C CA 0.331 59.609 59.018 0.433 0.000 1.865 438 C CB 0.742 28.757 27.740 0.457 0.000 2.277 438 C HN 0.261 nan 8.230 nan 0.000 0.521 439 V N 2.951 123.044 119.914 0.298 0.000 2.532 439 V HA 0.357 4.477 4.120 -0.000 0.000 0.294 439 V C -1.252 175.106 176.094 0.439 0.000 1.036 439 V CA -0.580 61.874 62.300 0.257 0.000 0.876 439 V CB 1.199 33.036 31.823 0.023 0.000 1.012 439 V HN 0.336 nan 8.190 nan 0.000 0.432 440 N N 2.279 121.155 118.700 0.294 0.000 2.408 440 N HA 0.735 5.475 4.740 -0.000 0.000 0.260 440 N C 0.074 175.713 175.510 0.214 0.000 1.242 440 N CA -0.193 52.986 53.050 0.215 0.000 0.959 440 N CB 1.509 40.085 38.487 0.148 0.000 1.201 440 N HN 0.866 nan 8.380 nan 0.000 0.511 441 A N -0.217 122.618 122.820 0.026 0.000 2.325 441 A HA 0.559 4.879 4.320 -0.000 0.000 0.333 441 A C -0.009 177.659 177.584 0.140 0.000 1.155 441 A CA -0.651 51.418 52.037 0.052 0.000 0.814 441 A CB 0.379 19.278 19.000 -0.169 0.000 1.206 441 A HN 0.629 nan 8.150 nan 0.000 0.482 442 S N 0.987 116.775 115.700 0.147 0.000 2.541 442 S HA 0.739 5.209 4.470 -0.000 0.000 0.283 442 S C 0.121 174.807 174.600 0.142 0.000 1.196 442 S CA 0.230 58.505 58.200 0.125 0.000 1.062 442 S CB 1.108 64.362 63.200 0.090 0.000 1.009 442 S HN 1.523 nan 8.310 nan 0.000 0.502 443 T N -1.206 113.428 114.554 0.133 0.000 2.888 443 T HA 0.893 5.243 4.350 -0.000 0.000 0.288 443 T C -0.565 174.213 174.700 0.130 0.000 1.063 443 T CA -0.709 61.493 62.100 0.170 0.000 1.010 443 T CB 1.407 70.400 68.868 0.208 0.000 1.214 443 T HN 1.658 nan 8.240 nan 0.000 0.533 444 A N 1.142 124.068 122.820 0.177 0.000 2.566 444 A HA 0.685 5.005 4.320 -0.000 0.000 0.297 444 A C -0.524 177.159 177.584 0.165 0.000 1.059 444 A CA -0.982 51.131 52.037 0.126 0.000 0.691 444 A CB 0.638 19.691 19.000 0.088 0.000 1.282 444 A HN 1.100 nan 8.150 nan 0.000 0.401 445 N N -1.082 117.669 118.700 0.084 0.000 2.714 445 N HA -0.148 4.592 4.740 -0.000 0.000 0.253 445 N C -0.175 175.348 175.510 0.022 0.000 1.024 445 N CA 1.334 54.420 53.050 0.060 0.000 0.726 445 N CB -1.313 37.226 38.487 0.087 0.000 0.908 445 N HN 1.682 nan 8.380 nan 0.000 0.542 446 A N 0.020 122.784 122.820 -0.094 0.000 2.355 446 A HA 0.633 4.953 4.320 -0.000 0.000 0.317 446 A C -0.074 177.312 177.584 -0.329 0.000 1.094 446 A CA -0.687 51.138 52.037 -0.353 0.000 0.764 446 A CB 1.760 20.473 19.000 -0.478 0.000 1.230 446 A HN 0.259 nan 8.150 nan 0.000 0.448 447 E N 2.518 122.486 120.200 -0.388 0.000 2.176 447 E HA 0.346 4.696 4.350 -0.000 0.000 0.267 447 E C -0.610 175.786 176.600 -0.339 0.000 0.893 447 E CA -0.710 55.517 56.400 -0.288 0.000 0.761 447 E CB 0.848 30.424 29.700 -0.206 0.000 1.133 447 E HN 0.661 nan 8.360 nan 0.000 0.409 448 R N 2.399 122.725 120.500 -0.291 0.000 2.449 448 R HA 0.165 4.505 4.340 -0.000 0.000 0.296 448 R C 0.188 176.354 176.300 -0.223 0.000 1.047 448 R CA 0.006 55.926 56.100 -0.301 0.000 1.018 448 R CB 0.529 30.671 30.300 -0.263 0.000 0.962 448 R HN 0.412 nan 8.270 nan 0.000 0.428 449 V N 0.607 120.391 119.914 -0.217 0.000 3.167 449 V HA 0.561 4.681 4.120 -0.000 0.000 0.310 449 V C -2.653 173.425 176.094 -0.028 0.000 1.207 449 V CA -3.060 59.179 62.300 -0.102 0.000 1.059 449 V CB 2.004 33.777 31.823 -0.084 0.000 1.079 449 V HN 0.493 nan 8.190 nan 0.000 0.446 450 P HA 0.278 nan 4.420 nan 0.000 0.260 450 P C -0.307 177.113 177.300 0.199 0.000 1.207 450 P CA 0.696 63.915 63.100 0.199 0.000 0.780 450 P CB -0.272 31.497 31.700 0.115 0.000 0.789 451 N N 1.712 120.630 118.700 0.364 0.000 2.776 451 N HA -0.145 4.595 4.740 -0.000 0.000 0.250 451 N C 0.456 176.067 175.510 0.167 0.000 1.112 451 N CA 1.698 54.884 53.050 0.227 0.000 0.733 451 N CB -1.485 37.100 38.487 0.165 0.000 1.097 451 N HN 0.704 nan 8.380 nan 0.000 0.558 452 G N -1.517 107.316 108.800 0.054 0.000 2.336 452 G HA2 0.512 4.472 3.960 -0.000 0.000 0.286 452 G HA3 0.512 4.472 3.960 -0.000 0.000 0.286 452 G C -1.778 172.864 174.900 -0.430 0.000 1.269 452 G CA -0.720 44.366 45.100 -0.023 0.000 0.873 452 G HN 0.121 nan 8.290 nan 0.000 0.494 453 L N -0.102 120.761 121.223 -0.600 0.000 2.350 453 L HA 0.710 5.050 4.340 -0.000 0.000 0.260 453 L C -0.326 176.167 176.870 -0.630 0.000 1.015 453 L CA -0.931 53.421 54.840 -0.813 0.000 0.821 453 L CB 2.657 43.909 42.059 -1.345 0.000 1.370 453 L HN 0.570 nan 8.230 nan 0.000 0.416 454 K N 1.463 121.473 120.400 -0.650 0.000 2.323 454 K HA 0.624 4.944 4.320 -0.000 0.000 0.259 454 K C -1.736 174.571 176.600 -0.489 0.000 0.947 454 K CA -0.405 55.664 56.287 -0.363 0.000 0.819 454 K CB 1.216 33.613 32.500 -0.172 0.000 1.109 454 K HN 0.305 nan 8.250 nan 0.000 0.429 455 F N 1.643 121.590 119.950 -0.006 0.000 2.507 455 F HA 0.733 5.259 4.527 -0.000 0.000 0.327 455 F C 0.100 175.918 175.800 0.031 0.000 1.068 455 F CA -0.695 57.304 58.000 -0.002 0.000 0.965 455 F CB 2.326 41.330 39.000 0.005 0.000 1.192 455 F HN 0.573 nan 8.300 nan 0.000 0.476 456 A N 1.196 124.146 122.820 0.217 0.000 2.589 456 A HA 0.773 5.093 4.320 -0.000 0.000 0.296 456 A C -0.392 177.257 177.584 0.108 0.000 1.062 456 A CA -0.216 51.903 52.037 0.136 0.000 0.686 456 A CB 1.152 20.199 19.000 0.079 0.000 1.282 456 A HN 1.828 nan 8.150 nan 0.000 0.404 457 G N -0.803 108.049 108.800 0.086 0.000 2.746 457 G HA2 0.285 4.245 3.960 -0.000 0.000 0.685 457 G HA3 0.285 4.245 3.960 -0.000 0.000 0.685 457 G C -0.406 174.531 174.900 0.061 0.000 1.350 457 G CA -0.472 44.666 45.100 0.065 0.000 0.837 457 G HN 1.827 nan 8.290 nan 0.000 0.564 458 V N 1.678 121.621 119.914 0.049 0.000 2.529 458 V HA 0.458 4.578 4.120 -0.000 0.000 0.292 458 V C 1.830 177.954 176.094 0.050 0.000 1.028 458 V CA 2.130 64.458 62.300 0.047 0.000 1.074 458 V CB 0.437 32.282 31.823 0.036 0.000 0.958 458 V HN 2.802 nan 8.190 nan 0.000 0.481 459 G N 3.711 112.546 108.800 0.058 0.000 2.176 459 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.232 459 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.232 459 G C 0.469 175.408 174.900 0.065 0.000 0.986 459 G CA -0.134 44.999 45.100 0.056 0.000 0.643 459 G HN 1.278 nan 8.290 nan 0.000 0.522 460 G N -0.890 107.953 108.800 0.073 0.000 2.522 460 G HA2 0.889 4.849 3.960 -0.000 0.000 0.304 460 G HA3 0.889 4.849 3.960 -0.000 0.000 0.304 460 G C 0.663 175.565 174.900 0.002 0.000 1.210 460 G CA 0.797 45.957 45.100 0.100 0.000 0.960 460 G HN 1.943 nan 8.290 nan 0.000 0.497 461 G N -1.821 106.924 108.800 -0.092 0.000 2.434 461 G HA2 0.501 4.460 3.960 -0.000 0.000 0.671 461 G HA3 0.501 4.460 3.960 -0.000 0.000 0.671 461 G C -0.413 174.288 174.900 -0.331 0.000 1.280 461 G CA -0.020 44.654 45.100 -0.709 0.000 0.975 461 G HN 2.006 nan 8.290 nan 0.000 0.510 462 A N -0.965 121.692 122.820 -0.272 0.000 2.380 462 A HA 0.922 5.241 4.320 -0.000 0.000 0.315 462 A C -0.590 177.097 177.584 0.171 0.000 1.101 462 A CA -0.219 51.878 52.037 0.101 0.000 0.771 462 A CB 1.893 21.082 19.000 0.315 0.000 1.287 462 A HN 2.029 nan 8.150 nan 0.000 0.436 463 L N 1.146 122.485 121.223 0.195 0.000 2.356 463 L HA 0.625 4.965 4.340 -0.000 0.000 0.277 463 L C -1.767 175.304 176.870 0.335 0.000 0.996 463 L CA -0.463 54.524 54.840 0.244 0.000 0.822 463 L CB 1.254 43.353 42.059 0.067 0.000 1.256 463 L HN 0.789 nan 8.230 nan 0.000 0.413 464 W N 8.117 129.560 121.300 0.238 0.000 2.318 464 W HA 0.488 5.148 4.660 -0.000 0.000 0.315 464 W C -2.455 174.201 176.519 0.228 0.000 1.033 464 W CA -2.912 54.573 57.345 0.233 0.000 1.275 464 W CB 1.145 30.776 29.460 0.285 0.000 1.250 464 W HN 0.297 nan 8.180 nan 0.000 0.421 465 P HA 0.144 nan 4.420 nan 0.000 0.275 465 P C 0.179 177.461 177.300 -0.030 0.000 1.227 465 P CA 0.106 63.279 63.100 0.121 0.000 0.781 465 P CB 1.960 33.696 31.700 0.061 0.000 0.906 466 V N 1.919 121.784 119.914 -0.081 0.000 3.949 466 V HA -0.028 4.091 4.120 -0.000 0.000 0.195 466 V C 2.128 178.130 176.094 -0.154 0.000 1.114 466 V CA 1.262 63.448 62.300 -0.189 0.000 1.384 466 V CB -0.943 30.663 31.823 -0.363 0.000 1.685 466 V HN 0.570 nan 8.190 nan 0.000 0.492 467 S N -0.441 115.181 115.700 -0.130 0.000 2.515 467 S HA -0.144 4.325 4.470 -0.000 0.000 0.231 467 S C 1.577 176.144 174.600 -0.055 0.000 0.987 467 S CA 0.825 58.974 58.200 -0.085 0.000 0.936 467 S CB -0.289 62.869 63.200 -0.069 0.000 0.766 467 S HN 0.496 nan 8.310 nan 0.000 0.528 468 Q N 1.141 120.918 119.800 -0.040 0.000 2.515 468 Q HA 0.097 4.437 4.340 -0.000 0.000 0.212 468 Q C 1.797 177.781 176.000 -0.026 0.000 0.970 468 Q CA 0.638 56.428 55.803 -0.021 0.000 0.941 468 Q CB -0.405 28.330 28.738 -0.005 0.000 0.998 468 Q HN 0.754 nan 8.270 nan 0.000 0.518 469 Q N -0.789 118.979 119.800 -0.053 0.000 2.297 469 Q HA -0.005 4.334 4.340 -0.000 0.000 0.204 469 Q C 0.811 176.801 176.000 -0.016 0.000 0.962 469 Q CA 0.765 56.537 55.803 -0.050 0.000 0.879 469 Q CB 0.273 28.942 28.738 -0.115 0.000 0.947 469 Q HN 0.469 nan 8.270 nan 0.000 0.462 470 G N 0.167 108.956 108.800 -0.019 0.000 2.715 470 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.221 470 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.221 470 G C 0.239 175.145 174.900 0.011 0.000 1.204 470 G CA 0.153 45.255 45.100 0.003 0.000 1.063 470 G HN 0.263 nan 8.290 nan 0.000 0.586 471 Q N 0.604 120.437 119.800 0.054 0.000 2.123 471 Q HA 0.030 4.370 4.340 -0.000 0.000 0.199 471 Q C 0.474 176.500 176.000 0.043 0.000 0.966 471 Q CA 1.497 57.343 55.803 0.072 0.000 0.845 471 Q CB -0.129 28.702 28.738 0.154 0.000 0.907 471 Q HN 0.549 nan 8.270 nan 0.000 0.439 472 N N 0.976 119.709 118.700 0.054 0.000 2.518 472 N HA 0.187 4.927 4.740 -0.000 0.000 0.254 472 N C -1.704 173.722 175.510 -0.140 0.000 0.979 472 N CA -0.167 52.856 53.050 -0.046 0.000 0.930 472 N CB 1.553 40.095 38.487 0.092 0.000 1.152 472 N HN 0.040 nan 8.380 nan 0.000 0.505 473 Q N 1.763 121.421 119.800 -0.236 0.000 2.465 473 Q HA 0.239 4.579 4.340 -0.000 0.000 0.237 473 Q C 0.444 176.270 176.000 -0.291 0.000 1.051 473 Q CA -0.297 55.372 55.803 -0.223 0.000 0.874 473 Q CB 1.060 29.709 28.738 -0.148 0.000 1.207 473 Q HN 0.462 nan 8.270 nan 0.000 0.508 474 R N 0.842 121.159 120.500 -0.306 0.000 2.280 474 R HA -0.039 4.301 4.340 -0.000 0.000 0.207 474 R C 0.527 176.802 176.300 -0.041 0.000 1.043 474 R CA 0.939 56.892 56.100 -0.245 0.000 1.006 474 R CB 0.306 30.491 30.300 -0.191 0.000 0.885 474 R HN 0.602 nan 8.270 nan 0.000 0.467 475 Y N -0.541 119.541 120.300 -0.363 0.000 2.658 475 Y HA 0.094 4.644 4.550 -0.000 0.000 0.276 475 Y C 1.792 177.206 175.900 -0.810 0.000 1.167 475 Y CA -0.645 57.007 58.100 -0.747 0.000 1.230 475 Y CB 0.180 38.238 38.460 -0.671 0.000 1.144 475 Y HN 0.215 nan 8.280 nan 0.000 0.529 476 H N 1.221 120.067 119.070 -0.374 0.000 2.457 476 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 476 H C 1.759 176.962 175.328 -0.208 0.000 1.092 476 H CA 2.025 57.908 56.048 -0.275 0.000 1.309 476 H CB -0.132 29.516 29.762 -0.190 0.000 1.382 476 H HN 0.630 nan 8.280 nan 0.000 0.535 477 F N -0.061 119.911 119.950 0.036 0.000 2.307 477 F HA -0.050 4.476 4.527 -0.000 0.000 0.301 477 F C 2.489 178.314 175.800 0.042 0.000 1.076 477 F CA 0.743 58.779 58.000 0.060 0.000 1.383 477 F CB -0.702 38.308 39.000 0.016 0.000 1.055 477 F HN 0.088 nan 8.300 nan 0.000 0.526 478 A N 1.157 123.764 122.820 -0.355 0.000 2.070 478 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 478 A C 1.928 179.537 177.584 0.043 0.000 1.159 478 A CA 1.461 53.481 52.037 -0.030 0.000 0.656 478 A CB -0.863 17.880 19.000 -0.427 0.000 0.800 478 A HN 0.544 nan 8.150 nan 0.000 0.453 479 N N -0.723 117.835 118.700 -0.238 0.000 2.550 479 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 479 N C 0.871 176.156 175.510 -0.375 0.000 1.110 479 N CA 0.889 53.724 53.050 -0.358 0.000 0.912 479 N CB -0.164 37.936 38.487 -0.646 0.000 0.968 479 N HN 0.668 nan 8.380 nan 0.000 0.448 480 H N -0.804 118.283 119.070 0.029 0.000 2.695 480 H HA 0.476 5.032 4.556 -0.000 0.000 0.267 480 H C 0.358 175.728 175.328 0.070 0.000 0.973 480 H CA 0.389 56.466 56.048 0.048 0.000 1.223 480 H CB 1.317 31.110 29.762 0.052 0.000 1.442 480 H HN 0.063 nan 8.280 nan 0.000 0.478 481 A N 0.642 123.619 122.820 0.261 0.000 2.585 481 A HA 0.455 4.775 4.320 -0.000 0.000 0.299 481 A C -1.832 175.946 177.584 0.322 0.000 1.047 481 A CA -0.589 51.538 52.037 0.150 0.000 0.723 481 A CB 0.665 19.709 19.000 0.074 0.000 1.275 481 A HN 0.211 nan 8.150 nan 0.000 0.408 482 F N -1.487 118.526 119.950 0.106 0.000 2.799 482 F HA 0.817 5.344 4.527 -0.000 0.000 0.316 482 F C -0.947 174.880 175.800 0.045 0.000 1.155 482 F CA -0.548 57.521 58.000 0.115 0.000 0.916 482 F CB 0.968 40.092 39.000 0.207 0.000 1.294 482 F HN 0.516 nan 8.300 nan 0.000 0.447 483 T N 3.136 117.910 114.554 0.368 0.000 2.841 483 T HA 0.639 4.989 4.350 -0.000 0.000 0.285 483 T C -1.694 173.150 174.700 0.241 0.000 0.991 483 T CA -0.375 61.858 62.100 0.222 0.000 0.966 483 T CB 1.485 70.374 68.868 0.035 0.000 0.962 483 T HN 0.772 nan 8.240 nan 0.000 0.438 484 L N 4.802 126.129 121.223 0.173 0.000 2.322 484 L HA 0.822 5.162 4.340 -0.000 0.000 0.281 484 L C -1.139 175.721 176.870 -0.017 0.000 1.014 484 L CA -0.492 54.342 54.840 -0.011 0.000 0.815 484 L CB 1.477 43.446 42.059 -0.151 0.000 1.247 484 L HN 0.477 nan 8.230 nan 0.000 0.421 485 V N 3.848 123.754 119.914 -0.014 0.000 2.709 485 V HA 0.998 5.118 4.120 -0.000 0.000 0.308 485 V C -0.443 175.636 176.094 -0.025 0.000 1.062 485 V CA -0.274 62.004 62.300 -0.037 0.000 0.901 485 V CB 1.355 33.197 31.823 0.031 0.000 1.003 485 V HN 1.005 nan 8.190 nan 0.000 0.425 486 A N 2.620 125.393 122.820 -0.078 0.000 2.612 486 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 486 A C -0.861 176.738 177.584 0.025 0.000 1.075 486 A CA -0.526 51.513 52.037 0.002 0.000 0.680 486 A CB 2.015 21.020 19.000 0.008 0.000 1.279 486 A HN 0.627 nan 8.150 nan 0.000 0.411 487 S N -0.018 115.757 115.700 0.124 0.000 2.454 487 S HA 0.722 5.192 4.470 -0.000 0.000 0.306 487 S C -0.339 174.344 174.600 0.139 0.000 1.100 487 S CA -0.161 58.139 58.200 0.167 0.000 1.087 487 S CB 1.191 64.513 63.200 0.203 0.000 1.019 487 S HN 1.872 nan 8.310 nan 0.000 0.480 488 V N 1.161 121.156 119.914 0.136 0.000 3.007 488 V HA 0.930 5.050 4.120 -0.000 0.000 0.311 488 V C -0.851 175.293 176.094 0.082 0.000 1.120 488 V CA -0.571 61.788 62.300 0.099 0.000 0.980 488 V CB 2.059 33.927 31.823 0.075 0.000 1.033 488 V HN 0.685 nan 8.190 nan 0.000 0.429 489 T N 4.274 118.810 114.554 -0.029 0.000 2.991 489 T HA 0.632 4.982 4.350 -0.000 0.000 0.303 489 T C -0.623 173.848 174.700 -0.381 0.000 1.015 489 T CA -0.142 61.880 62.100 -0.129 0.000 1.007 489 T CB 1.252 70.048 68.868 -0.119 0.000 1.034 489 T HN 0.736 nan 8.240 nan 0.000 0.446 490 I N 3.232 123.579 120.570 -0.371 0.000 2.353 490 I HA 0.308 4.478 4.170 -0.000 0.000 0.293 490 I C 1.033 176.962 176.117 -0.314 0.000 0.992 490 I CA -0.701 60.312 61.300 -0.478 0.000 1.268 490 I CB 1.049 38.639 38.000 -0.684 0.000 1.387 490 I HN 0.752 nan 8.210 nan 0.000 0.478 491 H N 3.668 122.743 119.070 0.008 0.000 2.654 491 H HA 0.296 4.852 4.556 -0.000 0.000 0.264 491 H C -0.052 175.332 175.328 0.094 0.000 0.954 491 H CA 0.278 56.361 56.048 0.058 0.000 1.199 491 H CB 0.747 30.536 29.762 0.046 0.000 1.446 491 H HN 0.583 nan 8.280 nan 0.000 0.516 492 E N 0.448 120.772 120.200 0.207 0.000 2.343 492 E HA 0.354 4.704 4.350 -0.000 0.000 0.278 492 E C -1.249 175.483 176.600 0.221 0.000 0.910 492 E CA -0.591 55.927 56.400 0.196 0.000 0.757 492 E CB 2.549 32.349 29.700 0.166 0.000 1.218 492 E HN -0.190 nan 8.360 nan 0.000 0.435 493 V N 4.764 124.793 119.914 0.191 0.000 2.555 493 V HA 0.331 4.451 4.120 -0.000 0.000 0.286 493 V C -1.758 174.407 176.094 0.118 0.000 1.044 493 V CA -0.987 61.412 62.300 0.166 0.000 1.026 493 V CB 0.424 32.285 31.823 0.063 0.000 0.981 493 V HN 0.624 nan 8.190 nan 0.000 0.480 494 P HA 0.400 nan 4.420 nan 0.000 0.284 494 P C 0.109 177.406 177.300 -0.004 0.000 1.258 494 P CA -0.806 62.312 63.100 0.029 0.000 0.824 494 P CB 1.644 33.304 31.700 -0.067 0.000 1.038 495 K N 0.122 120.518 120.400 -0.008 0.000 2.283 495 K HA 0.146 4.466 4.320 -0.000 0.000 0.202 495 K C 1.072 177.657 176.600 -0.025 0.000 1.048 495 K CA 1.049 57.330 56.287 -0.010 0.000 0.948 495 K CB -0.141 32.357 32.500 -0.003 0.000 0.742 495 K HN 0.753 nan 8.250 nan 0.000 0.458 496 G N -0.721 108.049 108.800 -0.048 0.000 2.579 496 G HA2 0.447 4.407 3.960 -0.000 0.000 0.292 496 G HA3 0.447 4.407 3.960 -0.000 0.000 0.292 496 G C -1.483 173.353 174.900 -0.106 0.000 1.484 496 G CA -0.588 44.477 45.100 -0.057 0.000 0.813 496 G HN 0.117 nan 8.290 nan 0.000 0.515 497 A N 0.554 123.317 122.820 -0.096 0.000 2.517 497 A HA 0.354 4.674 4.320 -0.000 0.000 0.286 497 A C 0.789 178.242 177.584 -0.218 0.000 0.908 497 A CA 1.497 53.455 52.037 -0.131 0.000 1.089 497 A CB -0.528 18.441 19.000 -0.052 0.000 0.754 497 A HN 1.569 nan 8.150 nan 0.000 0.410 498 S N 4.570 120.006 115.700 -0.442 0.000 2.542 498 S HA 0.751 5.221 4.470 -0.000 0.000 0.293 498 S C -2.866 171.509 174.600 -0.375 0.000 1.089 498 S CA -1.044 56.836 58.200 -0.532 0.000 0.961 498 S CB 2.089 64.782 63.200 -0.844 0.000 1.062 498 S HN 0.617 nan 8.310 nan 0.000 0.483 499 P HA 0.402 nan 4.420 nan 0.000 0.284 499 P C 0.018 177.393 177.300 0.125 0.000 1.253 499 P CA -0.489 62.548 63.100 -0.104 0.000 0.800 499 P CB 0.932 32.291 31.700 -0.567 0.000 0.961 500 L N 1.609 122.953 121.223 0.201 0.000 2.586 500 L HA 0.420 4.760 4.340 -0.000 0.000 0.204 500 L C -0.106 176.819 176.870 0.092 0.000 1.053 500 L CA 0.255 55.182 54.840 0.146 0.000 0.856 500 L CB 0.477 42.613 42.059 0.129 0.000 1.192 500 L HN 0.258 nan 8.230 nan 0.000 0.484 501 L N -0.741 120.522 121.223 0.066 0.000 2.612 501 L HA 0.730 5.070 4.340 -0.000 0.000 0.256 501 L C -1.040 175.606 176.870 -0.373 0.000 0.949 501 L CA 0.213 54.980 54.840 -0.121 0.000 0.867 501 L CB 1.994 43.999 42.059 -0.090 0.000 1.417 501 L HN 0.070 nan 8.230 nan 0.000 0.414 502 G N 1.987 110.295 108.800 -0.820 0.000 2.322 502 G HA2 0.687 4.646 3.960 -0.000 0.000 0.295 502 G HA3 0.687 4.646 3.960 -0.000 0.000 0.295 502 G C -2.141 172.420 174.900 -0.566 0.000 1.369 502 G CA -0.155 44.500 45.100 -0.742 0.000 0.821 502 G HN 1.047 nan 8.290 nan 0.000 0.536 503 A N -0.151 122.572 122.820 -0.162 0.000 2.304 503 A HA 0.842 5.162 4.320 -0.000 0.000 0.314 503 A C 0.072 177.608 177.584 -0.080 0.000 1.187 503 A CA 0.221 52.183 52.037 -0.124 0.000 0.810 503 A CB 1.359 20.336 19.000 -0.038 0.000 1.183 503 A HN 1.894 nan 8.150 nan 0.000 0.487 504 S N 2.226 117.811 115.700 -0.191 0.000 2.509 504 S HA 0.575 5.045 4.470 -0.000 0.000 0.297 504 S C 0.570 175.043 174.600 -0.212 0.000 1.118 504 S CA -0.674 57.437 58.200 -0.149 0.000 1.074 504 S CB 0.717 63.776 63.200 -0.235 0.000 1.038 504 S HN 0.590 nan 8.310 nan 0.000 0.498 505 L N 2.371 123.526 121.223 -0.113 0.000 2.354 505 L HA 0.245 4.585 4.340 -0.000 0.000 0.212 505 L C 0.933 177.763 176.870 -0.066 0.000 1.091 505 L CA 0.233 55.015 54.840 -0.097 0.000 0.828 505 L CB -0.099 41.922 42.059 -0.064 0.000 0.973 505 L HN 0.742 nan 8.230 nan 0.000 0.461 506 D N -1.816 118.557 120.400 -0.046 0.000 2.592 506 D HA 0.078 4.718 4.640 -0.000 0.000 0.259 506 D C 0.840 177.175 176.300 0.058 0.000 1.144 506 D CA 0.163 54.156 54.000 -0.012 0.000 1.080 506 D CB 1.126 41.911 40.800 -0.026 0.000 1.225 506 D HN -0.087 nan 8.370 nan 0.000 0.619 507 S N -1.090 114.646 115.700 0.059 0.000 2.496 507 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 507 S C 1.802 176.461 174.600 0.099 0.000 0.996 507 S CA 0.910 59.176 58.200 0.109 0.000 0.927 507 S CB -0.570 62.642 63.200 0.021 0.000 0.774 507 S HN 0.559 nan 8.310 nan 0.000 0.524 508 S N 0.925 116.629 115.700 0.007 0.000 2.425 508 S HA 0.417 4.887 4.470 -0.000 0.000 0.225 508 S C 1.814 176.296 174.600 -0.198 0.000 1.024 508 S CA 0.749 58.889 58.200 -0.100 0.000 0.951 508 S CB -0.673 62.437 63.200 -0.151 0.000 0.796 508 S HN 1.396 nan 8.310 nan 0.000 0.498 509 G N 0.150 108.869 108.800 -0.134 0.000 2.176 509 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.232 509 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.232 509 G C 0.916 175.631 174.900 -0.309 0.000 0.986 509 G CA 0.145 45.102 45.100 -0.239 0.000 0.643 509 G HN 1.011 nan 8.290 nan 0.000 0.522 510 G N -0.125 108.507 108.800 -0.279 0.000 2.464 510 G HA2 0.212 4.172 3.960 -0.000 0.000 0.217 510 G HA3 0.212 4.172 3.960 -0.000 0.000 0.217 510 G C 0.742 175.587 174.900 -0.091 0.000 1.138 510 G CA 1.154 46.133 45.100 -0.203 0.000 0.793 510 G HN 0.589 nan 8.290 nan 0.000 0.539 511 K N 1.169 121.528 120.400 -0.069 0.000 2.404 511 K HA 0.332 4.652 4.320 -0.000 0.000 0.257 511 K C -0.518 176.075 176.600 -0.012 0.000 1.026 511 K CA -0.453 55.815 56.287 -0.033 0.000 0.951 511 K CB 0.344 32.822 32.500 -0.035 0.000 1.203 511 K HN 0.018 nan 8.250 nan 0.000 0.446 512 K N 3.523 123.935 120.400 0.020 0.000 2.110 512 K HA 0.154 4.473 4.320 -0.000 0.000 0.263 512 K C 0.682 177.303 176.600 0.037 0.000 0.975 512 K CA -0.598 55.722 56.287 0.056 0.000 0.895 512 K CB 1.568 34.133 32.500 0.109 0.000 1.060 512 K HN 0.357 nan 8.250 nan 0.000 0.448 513 L N 2.509 123.752 121.223 0.033 0.000 2.130 513 L HA 0.244 4.584 4.340 -0.000 0.000 0.200 513 L C -0.406 176.504 176.870 0.066 0.000 1.075 513 L CA 1.254 56.118 54.840 0.040 0.000 0.768 513 L CB 0.328 42.404 42.059 0.028 0.000 0.933 513 L HN 0.544 nan 8.230 nan 0.000 0.451 514 L N -0.143 121.126 121.223 0.077 0.000 2.562 514 L HA 0.759 5.098 4.340 -0.000 0.000 0.266 514 L C -0.619 176.262 176.870 0.018 0.000 0.949 514 L CA 0.368 55.232 54.840 0.039 0.000 0.879 514 L CB 1.307 43.417 42.059 0.084 0.000 1.278 514 L HN 0.151 nan 8.230 nan 0.000 0.404 515 G N 3.044 111.814 108.800 -0.049 0.000 2.727 515 G HA2 0.674 4.634 3.960 -0.000 0.000 0.289 515 G HA3 0.674 4.634 3.960 -0.000 0.000 0.289 515 G C -2.479 172.383 174.900 -0.063 0.000 1.418 515 G CA -0.661 44.431 45.100 -0.015 0.000 0.818 515 G HN 0.741 nan 8.290 nan 0.000 0.486 516 L N 0.017 121.240 121.223 -0.000 0.000 2.436 516 L HA 0.847 5.187 4.340 -0.000 0.000 0.268 516 L C -0.325 176.617 176.870 0.121 0.000 0.974 516 L CA -0.254 54.587 54.840 0.001 0.000 0.826 516 L CB 1.996 43.995 42.059 -0.100 0.000 1.291 516 L HN 0.571 nan 8.230 nan 0.000 0.406 517 S N 2.268 118.065 115.700 0.162 0.000 2.709 517 S HA 0.811 5.281 4.470 -0.000 0.000 0.302 517 S C -1.630 173.169 174.600 0.332 0.000 1.127 517 S CA -0.323 57.995 58.200 0.197 0.000 0.905 517 S CB 1.613 64.857 63.200 0.073 0.000 1.151 517 S HN 0.604 nan 8.310 nan 0.000 0.510 518 Y N -0.032 120.310 120.300 0.071 0.000 2.524 518 Y HA 0.811 5.361 4.550 -0.000 0.000 0.347 518 Y C -0.838 175.109 175.900 0.078 0.000 1.005 518 Y CA -1.139 56.981 58.100 0.034 0.000 1.025 518 Y CB 0.971 39.231 38.460 -0.333 0.000 1.275 518 Y HN 0.668 nan 8.280 nan 0.000 0.460 519 D N 0.618 121.120 120.400 0.170 0.000 2.727 519 D HA 0.220 4.860 4.640 -0.000 0.000 0.264 519 D C 0.034 176.384 176.300 0.082 0.000 1.101 519 D CA -1.049 52.977 54.000 0.043 0.000 1.122 519 D CB 1.168 41.989 40.800 0.034 0.000 1.390 519 D HN 0.699 nan 8.370 nan 0.000 0.606 520 K N -0.745 119.648 120.400 -0.012 0.000 2.487 520 K HA 0.113 4.432 4.320 -0.000 0.000 0.192 520 K C 0.221 176.750 176.600 -0.119 0.000 1.027 520 K CA 0.056 56.306 56.287 -0.061 0.000 1.054 520 K CB 0.016 32.493 32.500 -0.037 0.000 0.824 520 K HN 0.288 nan 8.250 nan 0.000 0.510 521 R N 0.575 121.012 120.500 -0.105 0.000 2.652 521 R HA 0.155 4.494 4.340 -0.000 0.000 0.372 521 R C -0.873 175.337 176.300 -0.151 0.000 1.104 521 R CA -0.407 55.643 56.100 -0.084 0.000 1.072 521 R CB -0.300 29.978 30.300 -0.037 0.000 1.367 521 R HN 0.318 nan 8.270 nan 0.000 0.577 522 H N -0.086 118.717 119.070 -0.444 0.000 2.791 522 H HA -0.194 4.362 4.556 -0.000 0.000 0.302 522 H C -0.471 174.281 175.328 -0.961 0.000 1.198 522 H CA 0.862 56.222 56.048 -1.146 0.000 1.145 522 H CB -1.263 27.851 29.762 -1.080 0.000 1.385 522 H HN 0.403 nan 8.280 nan 0.000 0.409 523 Q N -0.796 118.880 119.800 -0.206 0.000 2.351 523 Q HA 0.372 4.712 4.340 -0.000 0.000 0.273 523 Q C -0.267 175.923 176.000 0.316 0.000 1.077 523 Q CA -0.946 54.870 55.803 0.021 0.000 0.843 523 Q CB 1.675 30.441 28.738 0.046 0.000 1.367 523 Q HN 0.317 nan 8.270 nan 0.000 0.449 524 W N 0.980 122.478 121.300 0.330 0.000 2.381 524 W HA 0.318 4.978 4.660 -0.000 0.000 0.329 524 W C 0.018 176.609 176.519 0.119 0.000 1.157 524 W CA -0.350 57.120 57.345 0.208 0.000 1.240 524 W CB 1.008 30.527 29.460 0.099 0.000 1.199 524 W HN 0.329 nan 8.180 nan 0.000 0.579 525 Q N 3.640 123.654 119.800 0.357 0.000 2.454 525 Q HA 0.260 4.600 4.340 -0.000 0.000 0.255 525 Q C -2.343 173.712 176.000 0.091 0.000 1.034 525 Q CA -2.031 53.883 55.803 0.185 0.000 0.736 525 Q CB 1.662 30.479 28.738 0.132 0.000 1.210 525 Q HN -0.020 nan 8.270 nan 0.000 0.500 526 P HA 0.262 nan 4.420 nan 0.000 0.286 526 P C -0.750 176.367 177.300 -0.306 0.000 1.269 526 P CA -0.070 62.925 63.100 -0.177 0.000 0.787 526 P CB 0.984 32.592 31.700 -0.153 0.000 0.920 527 I N 4.004 124.309 120.570 -0.442 0.000 2.439 527 I HA 0.311 4.481 4.170 -0.000 0.000 0.285 527 I C -0.638 175.240 176.117 -0.398 0.000 1.021 527 I CA -0.863 60.265 61.300 -0.287 0.000 1.091 527 I CB 1.243 39.197 38.000 -0.078 0.000 1.242 527 I HN 0.251 nan 8.210 nan 0.000 0.439 528 Y N 4.766 125.080 120.300 0.024 0.000 2.369 528 Y HA 0.585 5.135 4.550 -0.000 0.000 0.337 528 Y C 1.239 177.147 175.900 0.013 0.000 0.961 528 Y CA -0.273 57.834 58.100 0.012 0.000 1.186 528 Y CB 1.226 39.683 38.460 -0.005 0.000 1.139 528 Y HN 0.878 nan 8.280 nan 0.000 0.494 529 G N 2.087 110.961 108.800 0.124 0.000 2.672 529 G HA2 -0.421 3.538 3.960 -0.000 0.000 0.324 529 G HA3 -0.421 3.538 3.960 -0.000 0.000 0.324 529 G C 1.242 176.179 174.900 0.063 0.000 1.286 529 G CA 1.164 46.310 45.100 0.077 0.000 1.004 529 G HN 1.022 nan 8.290 nan 0.000 0.548 530 S N -1.040 114.692 115.700 0.053 0.000 2.524 530 S HA 0.358 4.828 4.470 -0.000 0.000 0.215 530 S C 0.955 175.584 174.600 0.047 0.000 0.986 530 S CA 1.145 59.369 58.200 0.039 0.000 0.911 530 S CB 0.044 63.257 63.200 0.022 0.000 0.805 530 S HN 1.045 nan 8.310 nan 0.000 0.501 531 T N 5.167 119.761 114.554 0.067 0.000 2.933 531 T HA 0.222 4.571 4.350 -0.000 0.000 0.306 531 T C -2.451 172.295 174.700 0.076 0.000 1.045 531 T CA -0.325 61.816 62.100 0.069 0.000 1.143 531 T CB -0.004 68.918 68.868 0.090 0.000 1.003 531 T HN 0.270 nan 8.240 nan 0.000 0.540 532 P HA 0.186 nan 4.420 nan 0.000 0.269 532 P C -0.719 176.624 177.300 0.073 0.000 1.209 532 P CA -0.436 62.696 63.100 0.053 0.000 0.776 532 P CB 0.361 32.083 31.700 0.037 0.000 0.876 533 V N 3.085 123.038 119.914 0.066 0.000 2.461 533 V HA 0.210 4.330 4.120 -0.000 0.000 0.275 533 V C 0.474 176.612 176.094 0.075 0.000 1.047 533 V CA 0.172 62.518 62.300 0.078 0.000 0.955 533 V CB 0.841 32.701 31.823 0.061 0.000 0.988 533 V HN 0.524 nan 8.190 nan 0.000 0.471 534 T N 7.353 121.964 114.554 0.095 0.000 2.788 534 T HA 0.418 4.768 4.350 -0.000 0.000 0.296 534 T C -2.448 172.311 174.700 0.099 0.000 1.009 534 T CA -1.006 61.144 62.100 0.085 0.000 0.949 534 T CB 1.415 70.332 68.868 0.081 0.000 0.946 534 T HN 0.473 nan 8.240 nan 0.000 0.453 535 P HA 0.448 nan 4.420 nan 0.000 0.272 535 P C -0.237 177.133 177.300 0.115 0.000 1.223 535 P CA -0.217 62.950 63.100 0.112 0.000 0.784 535 P CB 0.725 32.478 31.700 0.089 0.000 0.923 536 T N -0.117 114.531 114.554 0.156 0.000 2.802 536 T HA 0.588 4.938 4.350 -0.000 0.000 0.311 536 T C -0.169 174.656 174.700 0.207 0.000 1.405 536 T CA 0.486 62.675 62.100 0.148 0.000 1.016 536 T CB 0.656 69.605 68.868 0.134 0.000 1.352 536 T HN 0.762 nan 8.240 nan 0.000 0.498 537 G N 1.739 110.640 108.800 0.169 0.000 2.641 537 G HA2 0.087 4.046 3.960 -0.000 0.000 0.254 537 G HA3 0.087 4.046 3.960 -0.000 0.000 0.254 537 G C -0.148 174.824 174.900 0.120 0.000 1.315 537 G CA 0.221 45.442 45.100 0.202 0.000 0.907 537 G HN 1.528 nan 8.290 nan 0.000 0.572 538 S N -0.459 115.314 115.700 0.121 0.000 2.537 538 S HA 0.760 5.230 4.470 -0.000 0.000 0.270 538 S C -1.164 173.423 174.600 -0.022 0.000 1.142 538 S CA 0.337 58.504 58.200 -0.055 0.000 0.870 538 S CB 0.982 64.165 63.200 -0.028 0.000 1.112 538 S HN 1.710 nan 8.310 nan 0.000 0.466 539 W N 1.863 123.034 121.300 -0.216 0.000 3.075 539 W HA 0.697 5.357 4.660 -0.000 0.000 0.334 539 W C -1.542 174.999 176.519 0.035 0.000 1.243 539 W CA -0.785 56.461 57.345 -0.164 0.000 1.170 539 W CB 0.405 29.452 29.460 -0.689 0.000 1.452 539 W HN 0.595 nan 8.180 nan 0.000 0.572 540 E N 1.930 122.456 120.200 0.542 0.000 2.212 540 E HA 0.358 4.708 4.350 -0.000 0.000 0.268 540 E C -0.507 176.407 176.600 0.523 0.000 0.902 540 E CA -1.267 55.349 56.400 0.359 0.000 0.779 540 E CB 3.150 32.970 29.700 0.199 0.000 1.172 540 E HN 0.418 nan 8.360 nan 0.000 0.409 541 M N 1.801 121.662 119.600 0.436 0.000 2.252 541 M HA 0.171 4.651 4.480 -0.000 0.000 0.348 541 M C 0.856 177.289 176.300 0.222 0.000 1.334 541 M CA 1.591 57.117 55.300 0.375 0.000 1.071 541 M CB -0.015 32.782 32.600 0.329 0.000 1.763 541 M HN 0.822 nan 8.290 nan 0.000 0.452 542 G N 3.317 112.217 108.800 0.165 0.000 2.176 542 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 542 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 542 G C -0.002 174.942 174.900 0.073 0.000 0.979 542 G CA 0.498 45.671 45.100 0.123 0.000 0.641 542 G HN 0.733 nan 8.290 nan 0.000 0.530 543 K N 0.700 121.140 120.400 0.067 0.000 2.183 543 K HA 0.513 4.832 4.320 -0.000 0.000 0.274 543 K C 0.678 177.164 176.600 -0.191 0.000 1.009 543 K CA -0.977 55.275 56.287 -0.059 0.000 0.888 543 K CB 0.561 33.020 32.500 -0.069 0.000 1.078 543 K HN 0.125 nan 8.250 nan 0.000 0.459 544 R N 3.570 123.947 120.500 -0.205 0.000 2.491 544 R HA 0.110 4.450 4.340 -0.000 0.000 0.283 544 R C -1.243 174.863 176.300 -0.324 0.000 1.072 544 R CA 0.396 56.406 56.100 -0.149 0.000 1.048 544 R CB 0.285 30.562 30.300 -0.038 0.000 0.983 544 R HN 0.586 nan 8.270 nan 0.000 0.450 545 Y N 0.876 121.270 120.300 0.157 0.000 2.545 545 Y HA 0.220 4.770 4.550 -0.000 0.000 0.348 545 Y C -0.271 175.739 175.900 0.184 0.000 1.002 545 Y CA -0.918 57.297 58.100 0.191 0.000 1.039 545 Y CB 1.679 40.268 38.460 0.214 0.000 1.271 545 Y HN 0.639 nan 8.280 nan 0.000 0.467 546 H N 1.180 120.409 119.070 0.265 0.000 2.519 546 H HA 0.685 5.240 4.556 -0.000 0.000 0.316 546 H C -1.588 173.763 175.328 0.039 0.000 1.065 546 H CA -0.553 55.590 56.048 0.157 0.000 1.264 546 H CB 0.792 30.691 29.762 0.229 0.000 1.413 546 H HN 0.390 nan 8.280 nan 0.000 0.465 547 V N 6.502 126.190 119.914 -0.376 0.000 2.448 547 V HA 0.393 4.513 4.120 -0.000 0.000 0.295 547 V C -0.642 175.235 176.094 -0.362 0.000 1.025 547 V CA -0.801 61.302 62.300 -0.328 0.000 0.859 547 V CB 1.562 33.246 31.823 -0.231 0.000 0.988 547 V HN 0.584 nan 8.190 nan 0.000 0.431 548 V N 6.232 126.010 119.914 -0.226 0.000 2.588 548 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 548 V C -0.580 175.518 176.094 0.007 0.000 1.042 548 V CA -0.477 61.740 62.300 -0.138 0.000 0.877 548 V CB 2.082 33.784 31.823 -0.203 0.000 0.996 548 V HN 0.677 nan 8.190 nan 0.000 0.425 549 L N 4.662 125.891 121.223 0.011 0.000 2.381 549 L HA 0.772 5.112 4.340 -0.000 0.000 0.274 549 L C -0.116 176.771 176.870 0.028 0.000 0.988 549 L CA -0.343 54.528 54.840 0.052 0.000 0.824 549 L CB 2.414 44.519 42.059 0.076 0.000 1.263 549 L HN 0.796 nan 8.230 nan 0.000 0.410 550 T N 0.471 115.006 114.554 -0.031 0.000 2.893 550 T HA 0.718 5.068 4.350 -0.000 0.000 0.291 550 T C -0.600 173.893 174.700 -0.346 0.000 1.028 550 T CA -0.753 61.227 62.100 -0.201 0.000 0.995 550 T CB 2.592 71.409 68.868 -0.086 0.000 1.051 550 T HN 0.409 nan 8.240 nan 0.000 0.470 551 M N 2.247 121.465 119.600 -0.638 0.000 2.224 551 M HA 0.707 5.187 4.480 -0.000 0.000 0.281 551 M C -1.905 174.193 176.300 -0.337 0.000 1.025 551 M CA -0.418 54.569 55.300 -0.522 0.000 0.954 551 M CB 1.329 33.472 32.600 -0.762 0.000 1.639 551 M HN 1.240 nan 8.290 nan 0.000 0.461 552 A N 4.202 126.922 122.820 -0.167 0.000 2.577 552 A HA 0.620 4.939 4.320 -0.000 0.000 0.297 552 A C -0.282 177.273 177.584 -0.049 0.000 1.060 552 A CA -0.373 51.614 52.037 -0.084 0.000 0.697 552 A CB 0.753 19.710 19.000 -0.072 0.000 1.281 552 A HN 1.001 nan 8.150 nan 0.000 0.402 553 N N 1.034 119.724 118.700 -0.017 0.000 2.747 553 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 553 N C 0.156 175.657 175.510 -0.016 0.000 1.107 553 N CA 1.078 54.122 53.050 -0.009 0.000 0.707 553 N CB -1.345 37.133 38.487 -0.016 0.000 1.054 553 N HN 0.879 nan 8.380 nan 0.000 0.555 554 K N -2.281 118.108 120.400 -0.018 0.000 3.391 554 K HA -0.188 4.132 4.320 -0.000 0.000 0.307 554 K C -0.622 175.962 176.600 -0.027 0.000 1.304 554 K CA 1.211 57.486 56.287 -0.020 0.000 0.904 554 K CB -1.236 31.257 32.500 -0.012 0.000 1.293 554 K HN 0.550 nan 8.250 nan 0.000 0.470 555 I N 0.379 120.924 120.570 -0.041 0.000 2.509 555 I HA 0.407 4.577 4.170 -0.000 0.000 0.293 555 I C 0.632 176.721 176.117 -0.047 0.000 1.020 555 I CA -0.796 60.477 61.300 -0.045 0.000 1.088 555 I CB 2.055 40.024 38.000 -0.053 0.000 1.267 555 I HN 0.095 nan 8.210 nan 0.000 0.430 556 G N 3.087 111.886 108.800 -0.003 0.000 2.448 556 G HA2 0.715 4.675 3.960 -0.000 0.000 0.324 556 G HA3 0.715 4.675 3.960 -0.000 0.000 0.324 556 G C -1.182 173.768 174.900 0.084 0.000 1.203 556 G CA -0.322 44.803 45.100 0.042 0.000 0.954 556 G HN 0.522 nan 8.290 nan 0.000 0.480 557 S N -0.898 114.831 115.700 0.049 0.000 2.569 557 S HA 0.734 5.204 4.470 -0.000 0.000 0.280 557 S C -0.789 173.792 174.600 -0.032 0.000 1.111 557 S CA -0.573 57.624 58.200 -0.005 0.000 0.887 557 S CB 2.177 65.332 63.200 -0.076 0.000 1.095 557 S HN 0.592 nan 8.310 nan 0.000 0.476 558 V N 2.397 122.208 119.914 -0.171 0.000 2.656 558 V HA 0.586 4.706 4.120 -0.000 0.000 0.307 558 V C -1.797 174.094 176.094 -0.338 0.000 1.051 558 V CA -0.644 61.559 62.300 -0.162 0.000 0.893 558 V CB 1.362 33.099 31.823 -0.143 0.000 0.999 558 V HN 0.891 nan 8.190 nan 0.000 0.426 559 Y N 3.877 124.080 120.300 -0.161 0.000 2.442 559 Y HA 0.684 5.233 4.550 -0.000 0.000 0.344 559 Y C -0.318 175.438 175.900 -0.240 0.000 0.976 559 Y CA -1.083 56.916 58.100 -0.168 0.000 1.040 559 Y CB 1.929 40.310 38.460 -0.132 0.000 1.228 559 Y HN 0.324 nan 8.280 nan 0.000 0.451 560 I N 2.919 123.441 120.570 -0.081 0.000 2.474 560 I HA 0.225 4.395 4.170 -0.000 0.000 0.294 560 I C -0.256 175.817 176.117 -0.073 0.000 1.005 560 I CA -0.986 60.227 61.300 -0.145 0.000 1.113 560 I CB 1.581 39.423 38.000 -0.263 0.000 1.289 560 I HN 0.747 nan 8.210 nan 0.000 0.436 561 D N 4.990 125.356 120.400 -0.056 0.000 2.737 561 D HA -0.199 4.440 4.640 -0.000 0.000 0.233 561 D C 1.258 177.033 176.300 -0.875 0.000 1.155 561 D CA 1.544 55.289 54.000 -0.425 0.000 0.667 561 D CB -0.934 39.743 40.800 -0.204 0.000 1.060 561 D HN 1.146 nan 8.370 nan 0.000 0.427 562 G N -1.098 107.458 108.800 -0.407 0.000 2.162 562 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 562 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 562 G C -0.021 174.847 174.900 -0.054 0.000 0.976 562 G CA 0.531 45.460 45.100 -0.285 0.000 0.655 562 G HN 0.395 nan 8.290 nan 0.000 0.533 563 E N 0.303 120.513 120.200 0.016 0.000 2.266 563 E HA 0.480 4.830 4.350 -0.000 0.000 0.268 563 E C -2.763 173.878 176.600 0.070 0.000 0.879 563 E CA -2.184 54.268 56.400 0.086 0.000 0.762 563 E CB 2.108 31.810 29.700 0.003 0.000 1.199 563 E HN 0.056 nan 8.360 nan 0.000 0.422 564 P HA 0.117 nan 4.420 nan 0.000 0.271 564 P C 0.132 177.327 177.300 -0.176 0.000 1.220 564 P CA -0.072 62.833 63.100 -0.324 0.000 0.768 564 P CB 0.463 31.970 31.700 -0.322 0.000 0.848 565 L N 1.959 123.070 121.223 -0.186 0.000 2.483 565 L HA 0.048 4.388 4.340 -0.000 0.000 0.275 565 L C 1.345 178.183 176.870 -0.052 0.000 1.220 565 L CA 0.059 54.848 54.840 -0.085 0.000 0.833 565 L CB 0.093 42.109 42.059 -0.073 0.000 1.102 565 L HN 0.464 nan 8.230 nan 0.000 0.490 566 E N 1.028 121.226 120.200 -0.004 0.000 2.413 566 E HA 0.103 4.453 4.350 -0.000 0.000 0.263 566 E C 0.959 177.562 176.600 0.005 0.000 1.015 566 E CA 0.715 57.115 56.400 -0.001 0.000 0.916 566 E CB 0.459 30.171 29.700 0.021 0.000 0.947 566 E HN 0.761 nan 8.360 nan 0.000 0.440 567 G N 2.955 111.740 108.800 -0.025 0.000 2.184 567 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.264 567 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.264 567 G C 0.385 175.223 174.900 -0.104 0.000 0.975 567 G CA 0.569 45.642 45.100 -0.046 0.000 0.642 567 G HN 0.690 nan 8.290 nan 0.000 0.536 568 S N -0.223 115.433 115.700 -0.074 0.000 2.617 568 S HA 0.515 4.984 4.470 -0.000 0.000 0.255 568 S C 1.435 175.904 174.600 -0.217 0.000 1.318 568 S CA 1.485 59.630 58.200 -0.093 0.000 0.978 568 S CB 0.560 63.724 63.200 -0.059 0.000 0.961 568 S HN 2.298 nan 8.310 nan 0.000 0.582 569 G N 1.780 110.454 108.800 -0.209 0.000 2.470 569 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.286 569 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.286 569 G C -0.452 174.284 174.900 -0.274 0.000 1.115 569 G CA -0.119 44.867 45.100 -0.191 0.000 1.122 569 G HN 0.644 nan 8.290 nan 0.000 0.522 570 Q N -0.380 119.174 119.800 -0.409 0.000 2.359 570 Q HA 0.553 4.893 4.340 -0.000 0.000 0.275 570 Q C 0.324 176.221 176.000 -0.172 0.000 1.082 570 Q CA -0.642 54.928 55.803 -0.388 0.000 0.849 570 Q CB 1.598 29.896 28.738 -0.733 0.000 1.377 570 Q HN 0.260 nan 8.270 nan 0.000 0.452 571 T N 1.233 115.718 114.554 -0.115 0.000 2.829 571 T HA 0.109 4.459 4.350 -0.000 0.000 0.293 571 T C 1.260 175.961 174.700 0.002 0.000 0.970 571 T CA 0.103 62.175 62.100 -0.047 0.000 1.168 571 T CB 0.124 68.967 68.868 -0.042 0.000 0.911 571 T HN 0.494 nan 8.240 nan 0.000 0.535 572 V N 2.284 122.209 119.914 0.018 0.000 3.307 572 V HA 0.306 4.426 4.120 -0.000 0.000 0.244 572 V C 0.622 176.728 176.094 0.020 0.000 1.196 572 V CA 0.068 62.395 62.300 0.045 0.000 1.132 572 V CB 0.111 31.973 31.823 0.065 0.000 0.875 572 V HN 0.510 nan 8.190 nan 0.000 0.468 573 V N 2.961 122.876 119.914 0.002 0.000 2.333 573 V HA 0.410 4.530 4.120 -0.000 0.000 0.274 573 V C -2.360 173.730 176.094 -0.007 0.000 1.028 573 V CA -1.516 60.779 62.300 -0.008 0.000 0.851 573 V CB 0.707 32.519 31.823 -0.019 0.000 1.000 573 V HN 0.317 nan 8.190 nan 0.000 0.456 574 P HA 0.061 nan 4.420 nan 0.000 0.240 574 P C -0.167 177.130 177.300 -0.005 0.000 1.594 574 P CA -0.255 62.843 63.100 -0.005 0.000 1.184 574 P CB -0.834 30.864 31.700 -0.004 0.000 1.915 575 D N 0.571 120.967 120.400 -0.005 0.000 6.755 575 D HA -0.060 4.580 4.640 -0.000 0.000 0.179 575 D C 1.125 177.425 176.300 0.001 0.000 1.247 575 D CA 1.310 55.308 54.000 -0.002 0.000 0.816 575 D CB -0.675 40.124 40.800 -0.002 0.000 1.460 575 D HN 0.500 nan 8.370 nan 0.000 0.805 576 E N -0.644 119.556 120.200 -0.000 0.000 4.069 576 E HA 0.674 5.024 4.350 -0.000 0.000 0.186 576 E C 1.016 177.618 176.600 0.003 0.000 1.219 576 E CA -0.037 56.364 56.400 0.002 0.000 0.751 576 E CB -0.230 29.470 29.700 -0.001 0.000 2.924 576 E HN 0.508 nan 8.360 nan 0.000 0.552 577 R N 0.472 120.970 120.500 -0.002 0.000 2.726 577 R HA 0.579 4.919 4.340 -0.000 0.000 0.272 577 R C 0.641 176.931 176.300 -0.017 0.000 1.097 577 R CA 0.481 56.579 56.100 -0.003 0.000 1.198 577 R CB -0.724 29.573 30.300 -0.006 0.000 1.114 577 R HN 0.557 nan 8.270 nan 0.000 0.550 578 T N 3.027 117.568 114.554 -0.023 0.000 2.869 578 T HA 0.380 4.730 4.350 -0.000 0.000 0.295 578 T C -1.936 172.703 174.700 -0.103 0.000 0.987 578 T CA -0.564 61.492 62.100 -0.073 0.000 1.109 578 T CB 1.103 69.936 68.868 -0.059 0.000 0.932 578 T HN 0.619 nan 8.240 nan 0.000 0.518 579 P HA 0.144 nan 4.420 nan 0.000 0.267 579 P C -0.504 176.694 177.300 -0.170 0.000 1.201 579 P CA -0.072 62.944 63.100 -0.141 0.000 0.775 579 P CB 0.386 31.993 31.700 -0.155 0.000 0.854 580 D N 1.697 122.013 120.400 -0.140 0.000 2.443 580 D HA 0.232 4.872 4.640 -0.000 0.000 0.281 580 D C -0.211 175.991 176.300 -0.164 0.000 1.210 580 D CA -0.362 53.552 54.000 -0.143 0.000 0.875 580 D CB -0.332 40.420 40.800 -0.080 0.000 1.125 580 D HN 0.177 nan 8.370 nan 0.000 0.503 581 I N 1.342 121.770 120.570 -0.237 0.000 2.752 581 I HA -0.075 4.095 4.170 -0.000 0.000 0.289 581 I C 1.721 177.685 176.117 -0.254 0.000 1.197 581 I CA 0.206 61.333 61.300 -0.289 0.000 1.432 581 I CB 1.176 38.917 38.000 -0.431 0.000 1.359 581 I HN 0.203 nan 8.210 nan 0.000 0.571 582 S N 5.551 121.122 115.700 -0.215 0.000 2.355 582 S HA 0.024 4.494 4.470 -0.000 0.000 0.216 582 S C 0.286 174.879 174.600 -0.012 0.000 1.037 582 S CA 0.472 58.631 58.200 -0.069 0.000 0.955 582 S CB 0.141 63.372 63.200 0.051 0.000 0.877 582 S HN 0.837 nan 8.310 nan 0.000 0.488 583 H N -2.282 116.664 119.070 -0.207 0.000 2.967 583 H HA 0.369 4.925 4.556 -0.000 0.000 0.318 583 H C -1.894 173.295 175.328 -0.232 0.000 1.375 583 H CA -0.976 54.964 56.048 -0.180 0.000 1.132 583 H CB -0.125 29.654 29.762 0.029 0.000 1.848 583 H HN 0.255 nan 8.280 nan 0.000 0.524 584 F N 1.601 121.627 119.950 0.126 0.000 2.436 584 F HA 0.335 4.862 4.527 -0.000 0.000 0.340 584 F C -0.267 175.673 175.800 0.234 0.000 1.113 584 F CA -1.008 56.997 58.000 0.009 0.000 1.022 584 F CB 1.283 40.300 39.000 0.029 0.000 1.128 584 F HN 0.430 nan 8.300 nan 0.000 0.466 585 Y N 0.659 121.163 120.300 0.340 0.000 2.387 585 Y HA 0.808 5.358 4.550 -0.000 0.000 0.336 585 Y C -1.273 174.723 175.900 0.160 0.000 1.067 585 Y CA -1.677 56.594 58.100 0.285 0.000 1.114 585 Y CB 0.883 39.508 38.460 0.275 0.000 1.208 585 Y HN 0.259 nan 8.280 nan 0.000 0.458 586 V N 2.717 122.757 119.914 0.211 0.000 2.525 586 V HA 0.636 4.756 4.120 -0.000 0.000 0.299 586 V C 0.529 176.555 176.094 -0.113 0.000 1.034 586 V CA -0.620 61.728 62.300 0.081 0.000 0.863 586 V CB 1.005 32.906 31.823 0.130 0.000 0.999 586 V HN 1.326 nan 8.190 nan 0.000 0.423 587 G N 2.918 111.655 108.800 -0.104 0.000 2.221 587 G HA2 0.273 4.233 3.960 -0.000 0.000 0.265 587 G HA3 0.273 4.233 3.960 -0.000 0.000 0.265 587 G C 0.708 175.387 174.900 -0.369 0.000 1.041 587 G CA 0.399 45.328 45.100 -0.286 0.000 0.807 587 G HN 2.387 nan 8.290 nan 0.000 0.502 588 G N -2.228 106.451 108.800 -0.203 0.000 2.331 588 G HA2 0.238 4.198 3.960 -0.000 0.000 0.402 588 G HA3 0.238 4.198 3.960 -0.000 0.000 0.402 588 G C -0.019 174.753 174.900 -0.213 0.000 1.275 588 G CA 0.084 45.035 45.100 -0.249 0.000 1.003 588 G HN 0.654 nan 8.290 nan 0.000 0.500 589 Y N 0.417 120.672 120.300 -0.075 0.000 2.458 589 Y HA 0.362 4.912 4.550 -0.000 0.000 0.254 589 Y C 1.884 177.772 175.900 -0.020 0.000 1.120 589 Y CA 0.385 58.434 58.100 -0.084 0.000 1.282 589 Y CB 0.548 38.925 38.460 -0.138 0.000 1.109 589 Y HN 0.564 nan 8.280 nan 0.000 0.526 590 K N 1.587 122.047 120.400 0.101 0.000 3.035 590 K HA -0.215 4.105 4.320 -0.000 0.000 0.262 590 K C -1.262 175.376 176.600 0.063 0.000 1.024 590 K CA 0.392 56.720 56.287 0.068 0.000 0.748 590 K CB -0.569 31.966 32.500 0.059 0.000 1.247 590 K HN 0.181 nan 8.250 nan 0.000 0.482 591 R N 0.071 120.620 120.500 0.081 0.000 2.473 591 R HA 0.123 4.463 4.340 -0.000 0.000 0.303 591 R C 1.059 177.378 176.300 0.031 0.000 1.002 591 R CA 0.142 56.263 56.100 0.034 0.000 0.884 591 R CB 1.546 31.841 30.300 -0.009 0.000 1.173 591 R HN 0.224 nan 8.270 nan 0.000 0.464 592 S N 0.568 116.279 115.700 0.019 0.000 2.442 592 S HA -0.116 4.354 4.470 -0.000 0.000 0.236 592 S C 1.838 176.440 174.600 0.004 0.000 1.007 592 S CA 1.052 59.262 58.200 0.017 0.000 0.965 592 S CB -0.023 63.185 63.200 0.013 0.000 0.773 592 S HN 0.746 nan 8.310 nan 0.000 0.504 593 G N 1.891 110.683 108.800 -0.013 0.000 2.442 593 G HA2 0.001 3.961 3.960 -0.000 0.000 0.219 593 G HA3 0.001 3.961 3.960 -0.000 0.000 0.219 593 G C 0.645 175.524 174.900 -0.035 0.000 1.141 593 G CA 0.453 45.535 45.100 -0.029 0.000 0.763 593 G HN 0.402 nan 8.290 nan 0.000 0.554 594 M N 0.963 120.542 119.600 -0.034 0.000 2.249 594 M HA 0.212 4.692 4.480 -0.000 0.000 0.351 594 M C -1.812 174.505 176.300 0.029 0.000 1.180 594 M CA -1.776 53.508 55.300 -0.028 0.000 1.127 594 M CB 1.546 34.105 32.600 -0.068 0.000 1.546 594 M HN -0.111 nan 8.290 nan 0.000 0.461 595 P HA 0.069 nan 4.420 nan 0.000 0.256 595 P C -0.146 177.178 177.300 0.041 0.000 1.384 595 P CA 0.146 63.263 63.100 0.028 0.000 0.879 595 P CB -0.573 31.134 31.700 0.012 0.000 1.403 596 T N -2.555 112.044 114.554 0.075 0.000 2.913 596 T HA 0.395 4.745 4.350 -0.000 0.000 0.287 596 T C -0.428 174.291 174.700 0.031 0.000 1.008 596 T CA -0.564 61.563 62.100 0.046 0.000 1.067 596 T CB 1.439 70.336 68.868 0.048 0.000 0.996 596 T HN -0.186 nan 8.240 nan 0.000 0.513 597 D N 0.965 121.372 120.400 0.012 0.000 2.469 597 D HA 0.336 4.976 4.640 -0.000 0.000 0.251 597 D C -0.985 175.344 176.300 0.048 0.000 1.173 597 D CA -0.413 53.608 54.000 0.035 0.000 0.882 597 D CB 1.311 42.136 40.800 0.041 0.000 1.129 597 D HN 0.475 nan 8.370 nan 0.000 0.549 598 S N 3.591 119.331 115.700 0.067 0.000 2.429 598 S HA 0.437 4.907 4.470 -0.000 0.000 0.302 598 S C -0.074 174.629 174.600 0.172 0.000 1.115 598 S CA -0.804 57.477 58.200 0.135 0.000 1.095 598 S CB 1.012 64.265 63.200 0.088 0.000 0.987 598 S HN 0.214 nan 8.310 nan 0.000 0.474 599 R N 3.045 123.665 120.500 0.200 0.000 2.247 599 R HA 0.545 4.884 4.340 -0.000 0.000 0.329 599 R C -0.401 176.003 176.300 0.174 0.000 1.014 599 R CA -0.328 55.898 56.100 0.211 0.000 0.907 599 R CB 0.255 30.683 30.300 0.213 0.000 1.146 599 R HN 0.542 nan 8.270 nan 0.000 0.499 600 V N -1.602 118.436 119.914 0.208 0.000 3.282 600 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 600 V C -0.526 175.665 176.094 0.162 0.000 1.451 600 V CA -0.872 61.438 62.300 0.017 0.000 1.062 600 V CB 2.452 34.240 31.823 -0.058 0.000 1.128 600 V HN 0.454 nan 8.190 nan 0.000 0.456 601 T N 1.250 115.834 114.554 0.051 0.000 2.841 601 T HA 0.795 5.145 4.350 -0.000 0.000 0.283 601 T C -0.825 173.952 174.700 0.128 0.000 1.000 601 T CA -0.454 61.723 62.100 0.129 0.000 0.977 601 T CB 1.618 70.588 68.868 0.170 0.000 0.979 601 T HN 0.973 nan 8.240 nan 0.000 0.446 602 V N 4.162 124.185 119.914 0.182 0.000 2.588 602 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 602 V C -0.608 175.653 176.094 0.278 0.000 1.042 602 V CA -1.074 61.374 62.300 0.247 0.000 0.877 602 V CB 2.036 34.086 31.823 0.378 0.000 0.996 602 V HN 0.798 nan 8.190 nan 0.000 0.425 603 N N 2.529 121.375 118.700 0.243 0.000 2.240 603 N HA 0.426 5.165 4.740 -0.000 0.000 0.302 603 N C -0.552 175.088 175.510 0.218 0.000 1.106 603 N CA -0.755 52.441 53.050 0.244 0.000 0.778 603 N CB 1.817 40.411 38.487 0.179 0.000 1.431 603 N HN 0.851 nan 8.380 nan 0.000 0.479 604 N N -0.631 118.181 118.700 0.187 0.000 2.608 604 N HA -0.157 4.583 4.740 -0.000 0.000 0.273 604 N C -1.182 174.456 175.510 0.213 0.000 1.133 604 N CA 0.037 53.214 53.050 0.211 0.000 0.726 604 N CB -0.689 37.982 38.487 0.307 0.000 0.890 604 N HN 0.195 nan 8.380 nan 0.000 0.548 605 V N 2.116 122.045 119.914 0.026 0.000 2.406 605 V HA 0.412 4.532 4.120 -0.000 0.000 0.272 605 V C 0.656 176.839 176.094 0.149 0.000 1.043 605 V CA -0.313 61.974 62.300 -0.020 0.000 0.915 605 V CB 1.213 32.844 31.823 -0.319 0.000 0.988 605 V HN 0.252 nan 8.190 nan 0.000 0.466 606 L N 5.479 126.798 121.223 0.160 0.000 2.334 606 L HA 0.702 5.042 4.340 -0.000 0.000 0.273 606 L C -0.704 176.194 176.870 0.046 0.000 1.013 606 L CA -0.732 54.177 54.840 0.114 0.000 0.816 606 L CB 2.019 44.108 42.059 0.049 0.000 1.278 606 L HN 0.525 nan 8.230 nan 0.000 0.431 607 L N 2.370 123.532 121.223 -0.103 0.000 2.406 607 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 607 L C -1.573 175.108 176.870 -0.314 0.000 0.980 607 L CA 0.044 54.758 54.840 -0.210 0.000 0.831 607 L CB 1.260 43.041 42.059 -0.464 0.000 1.253 607 L HN 0.294 nan 8.230 nan 0.000 0.406 608 Y N 2.495 122.706 120.300 -0.148 0.000 2.487 608 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 608 Y C 0.764 176.547 175.900 -0.196 0.000 1.076 608 Y CA -0.657 57.332 58.100 -0.184 0.000 1.115 608 Y CB 1.470 39.844 38.460 -0.143 0.000 1.235 608 Y HN 0.716 nan 8.280 nan 0.000 0.468 609 N N 1.745 120.282 118.700 -0.273 0.000 2.327 609 N HA 0.128 4.867 4.740 -0.000 0.000 0.231 609 N C -0.606 174.755 175.510 -0.248 0.000 1.130 609 N CA -0.353 52.320 53.050 -0.628 0.000 0.845 609 N CB -0.013 37.637 38.487 -1.394 0.000 1.073 609 N HN 0.799 nan 8.380 nan 0.000 0.496 610 R N -2.409 118.051 120.500 -0.067 0.000 2.741 610 R HA 0.265 4.605 4.340 -0.000 0.000 0.274 610 R C -1.475 174.792 176.300 -0.055 0.000 1.029 610 R CA -0.989 55.079 56.100 -0.052 0.000 0.880 610 R CB 0.558 30.812 30.300 -0.078 0.000 1.264 610 R HN 0.057 nan 8.270 nan 0.000 0.465 611 Q N 2.054 121.807 119.800 -0.079 0.000 2.337 611 Q HA 0.306 4.646 4.340 -0.000 0.000 0.255 611 Q C -0.654 175.267 176.000 -0.131 0.000 0.997 611 Q CA -0.574 55.166 55.803 -0.106 0.000 0.925 611 Q CB 0.840 29.524 28.738 -0.090 0.000 1.212 611 Q HN 0.489 nan 8.270 nan 0.000 0.436 612 L N 3.299 124.408 121.223 -0.191 0.000 2.482 612 L HA 0.061 4.401 4.340 -0.000 0.000 0.273 612 L C 0.638 177.403 176.870 -0.175 0.000 1.228 612 L CA -0.262 54.434 54.840 -0.240 0.000 0.827 612 L CB 0.039 41.884 42.059 -0.358 0.000 1.099 612 L HN 0.805 nan 8.230 nan 0.000 0.494 613 N N 0.745 119.352 118.700 -0.155 0.000 2.447 613 N HA 0.303 5.043 4.740 -0.000 0.000 0.271 613 N C 0.585 176.023 175.510 -0.120 0.000 1.226 613 N CA -0.078 52.905 53.050 -0.111 0.000 0.980 613 N CB 0.763 39.201 38.487 -0.082 0.000 1.206 613 N HN 0.594 nan 8.380 nan 0.000 0.558 614 A N -0.344 122.428 122.820 -0.080 0.000 1.927 614 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 614 A C 1.995 179.536 177.584 -0.072 0.000 1.185 614 A CA 2.123 54.120 52.037 -0.068 0.000 0.639 614 A CB -1.170 17.815 19.000 -0.025 0.000 0.820 614 A HN 0.907 nan 8.150 nan 0.000 0.451 615 E N -0.596 119.566 120.200 -0.064 0.000 2.046 615 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 615 E C 1.976 178.533 176.600 -0.072 0.000 0.982 615 E CA 1.035 57.403 56.400 -0.054 0.000 0.800 615 E CB -0.118 29.555 29.700 -0.045 0.000 0.756 615 E HN 0.751 nan 8.360 nan 0.000 0.449 616 E N 0.490 120.628 120.200 -0.104 0.000 2.118 616 E HA -0.205 4.144 4.350 -0.000 0.000 0.195 616 E C 2.177 178.695 176.600 -0.137 0.000 0.992 616 E CA 1.187 57.507 56.400 -0.134 0.000 0.804 616 E CB -0.091 29.494 29.700 -0.193 0.000 0.741 616 E HN 0.386 nan 8.360 nan 0.000 0.458 617 I N 0.652 121.125 120.570 -0.162 0.000 2.142 617 I HA -0.285 3.884 4.170 -0.000 0.000 0.240 617 I C 2.705 178.794 176.117 -0.048 0.000 1.078 617 I CA 1.177 62.379 61.300 -0.163 0.000 1.343 617 I CB -0.233 37.569 38.000 -0.329 0.000 1.046 617 I HN 0.028 nan 8.210 nan 0.000 0.405 618 R N 1.001 121.482 120.500 -0.031 0.000 2.091 618 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 618 R C 2.154 178.487 176.300 0.056 0.000 1.136 618 R CA 2.328 58.461 56.100 0.056 0.000 0.959 618 R CB -0.692 29.632 30.300 0.040 0.000 0.856 618 R HN 0.225 nan 8.270 nan 0.000 0.437 619 T N 0.895 115.447 114.554 -0.003 0.000 2.833 619 T HA -0.053 4.296 4.350 -0.000 0.000 0.269 619 T C 1.607 176.289 174.700 -0.030 0.000 1.054 619 T CA 1.325 63.410 62.100 -0.025 0.000 1.135 619 T CB -0.086 68.761 68.868 -0.035 0.000 0.869 619 T HN 0.174 nan 8.240 nan 0.000 0.466 620 L N -0.096 121.123 121.223 -0.006 0.000 2.217 620 L HA 0.062 4.402 4.340 -0.000 0.000 0.211 620 L C 2.210 179.020 176.870 -0.100 0.000 1.107 620 L CA 0.666 55.514 54.840 0.013 0.000 0.783 620 L CB -0.452 41.668 42.059 0.102 0.000 0.919 620 L HN 0.203 nan 8.230 nan 0.000 0.442 621 F N 1.227 120.977 119.950 -0.332 0.000 2.075 621 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 621 F C 2.087 177.692 175.800 -0.324 0.000 1.113 621 F CA 1.550 59.201 58.000 -0.582 0.000 1.218 621 F CB -0.507 38.319 39.000 -0.290 0.000 0.984 621 F HN -0.124 nan 8.300 nan 0.000 0.472 622 L N 0.118 121.101 121.223 -0.400 0.000 2.201 622 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 622 L C 1.976 178.681 176.870 -0.276 0.000 1.105 622 L CA 1.445 56.017 54.840 -0.448 0.000 0.775 622 L CB -0.900 41.004 42.059 -0.259 0.000 0.913 622 L HN 0.372 nan 8.230 nan 0.000 0.440 623 S N -1.212 114.383 115.700 -0.175 0.000 2.574 623 S HA 0.018 4.488 4.470 -0.000 0.000 0.242 623 S C 1.404 175.972 174.600 -0.054 0.000 0.982 623 S CA -0.583 57.558 58.200 -0.098 0.000 0.977 623 S CB 0.023 63.187 63.200 -0.060 0.000 0.814 623 S HN 0.533 nan 8.310 nan 0.000 0.464 624 Q N 0.749 120.503 119.800 -0.075 0.000 2.500 624 Q HA -0.025 4.315 4.340 -0.000 0.000 0.213 624 Q C 0.334 176.359 176.000 0.042 0.000 0.974 624 Q CA 1.038 56.851 55.803 0.017 0.000 0.918 624 Q CB -0.386 28.385 28.738 0.055 0.000 0.980 624 Q HN 0.488 nan 8.270 nan 0.000 0.505 625 D N 0.502 120.905 120.400 0.005 0.000 2.339 625 D HA 0.117 4.757 4.640 -0.000 0.000 0.217 625 D C 1.309 177.637 176.300 0.047 0.000 1.050 625 D CA 0.346 54.363 54.000 0.027 0.000 0.856 625 D CB 0.515 41.315 40.800 0.000 0.000 0.922 625 D HN 0.367 nan 8.370 nan 0.000 0.518 626 L N 0.384 121.636 121.223 0.047 0.000 2.642 626 L HA 0.213 4.553 4.340 -0.000 0.000 0.233 626 L C 2.306 179.243 176.870 0.111 0.000 1.077 626 L CA 0.138 55.016 54.840 0.064 0.000 0.879 626 L CB 0.045 42.115 42.059 0.020 0.000 1.151 626 L HN -0.056 nan 8.230 nan 0.000 0.495 627 I N -1.469 119.175 120.570 0.124 0.000 3.111 627 I HA 0.205 4.374 4.170 -0.000 0.000 0.272 627 I C 1.274 177.576 176.117 0.308 0.000 1.268 627 I CA -0.081 61.326 61.300 0.177 0.000 1.467 627 I CB -0.773 37.297 38.000 0.117 0.000 1.087 627 I HN 0.051 nan 8.210 nan 0.000 0.467 628 G N 1.603 110.555 108.800 0.254 0.000 2.559 628 G HA2 0.155 4.115 3.960 -0.000 0.000 0.235 628 G HA3 0.155 4.115 3.960 -0.000 0.000 0.235 628 G C 0.934 175.929 174.900 0.159 0.000 1.266 628 G CA 0.430 45.656 45.100 0.210 0.000 0.847 628 G HN 0.470 nan 8.290 nan 0.000 0.583 629 T N -1.970 112.598 114.554 0.024 0.000 3.086 629 T HA 0.052 4.402 4.350 -0.000 0.000 0.250 629 T C 1.697 176.405 174.700 0.014 0.000 1.074 629 T CA 0.895 62.958 62.100 -0.061 0.000 0.988 629 T CB -0.016 68.675 68.868 -0.294 0.000 0.988 629 T HN 0.750 nan 8.240 nan 0.000 0.530 630 E N 2.062 122.221 120.200 -0.069 0.000 2.219 630 E HA -0.148 4.202 4.350 -0.000 0.000 0.198 630 E C 2.131 178.639 176.600 -0.154 0.000 0.998 630 E CA 1.302 57.471 56.400 -0.384 0.000 0.818 630 E CB -0.631 28.806 29.700 -0.439 0.000 0.741 630 E HN 0.623 nan 8.360 nan 0.000 0.477 631 A N 0.648 123.531 122.820 0.104 0.000 2.067 631 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 631 A C 0.324 177.981 177.584 0.121 0.000 1.156 631 A CA 0.695 52.807 52.037 0.125 0.000 0.683 631 A CB -0.347 18.731 19.000 0.130 0.000 0.808 631 A HN 0.259 nan 8.150 nan 0.000 0.455 632 H N 0.000 119.082 119.070 0.021 0.000 2.539 632 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 632 H CA 0.000 56.074 56.048 0.043 0.000 1.023 632 H CB 0.000 29.795 29.762 0.055 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496