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 3apm_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQGTLIRVTP EQPTHAVCVL GTLTQLDICS SXXXXXXSFS INASPGVVVD DATA SEQUENCE IAHXXXXXXX XXXXSTWPLD PGVEVTLTMK VASGSTGDQK VQISYYGPKT DATA SEQUENCE PPVKALLYLT GVEISLCADI TRTGKVKXXX XXXXQRTWTW GPCGQGAILL DATA SEQUENCE VNCDRDXXXX XXXXXXXXXX LDSEDLQDMS LMTLSTKTPK DFFTNHTLVL DATA SEQUENCE HVARSEMDKV RVFQATRXXX XXKCSVVLGP KWPSHYLMVP GGKHNMDFYV DATA SEQUENCE EALAFPDTDF PGLITLTISL LDTSNLELPE AVVFQDSVVF RVAPWIMTPN DATA SEQUENCE TQPPQEVYAC SXXXXXXXLK SVTTLAMKAK CKLTICXXXX XXXXXXXQDE DATA SEQUENCE MEIGYIQAPH KTLPVVFDSX XXXXXXXXXX XXXXXXDFGY VTRGXXXXXX DATA SEQUENCE XGLDSFGNLE VSPPVTVRGK EYPLGRILFG DSCYPSNDSR QMHQALQDFL DATA SEQUENCE SAQQVQAPVK LYSDWLSVGH VDEFLSFVPA PDRKGFRLLL ASPRSCYKLF DATA SEQUENCE QEQQNEGHGE ALLFXXXXXX KQQKIKNILS NKTLREHNSF VERCIDWNRE DATA SEQUENCE LLKRELGLAE SDIIDIPQLF KLKEFSKAEA FFPNMVNMLV LGKHLGIPKP DATA SEQUENCE FGPVINGRCC LEEKVCSLLE PLGLQCTFIN DXXXXXXXXX XXXCGTNVRR DATA SEQUENCE KPFSFKWWNM VP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.606 177.584 0.036 0.000 1.274 2 A CA 0.000 52.054 52.037 0.029 0.000 0.836 2 A CB 0.000 19.022 19.000 0.036 0.000 0.831 3 Q N -1.433 118.398 119.800 0.051 0.000 2.501 3 Q HA 0.619 4.964 4.340 0.009 0.000 0.288 3 Q C -0.394 175.652 176.000 0.077 0.000 1.051 3 Q CA 0.075 55.913 55.803 0.058 0.000 0.788 3 Q CB 2.093 30.866 28.738 0.058 0.000 1.469 3 Q HN 2.104 nan 8.270 nan 0.000 0.416 4 G N -0.010 108.835 108.800 0.074 0.000 2.427 4 G HA2 0.364 4.330 3.960 0.009 0.000 0.306 4 G HA3 0.364 4.330 3.960 0.009 0.000 0.306 4 G C -1.351 173.596 174.900 0.077 0.000 1.280 4 G CA -0.038 45.114 45.100 0.088 0.000 0.837 4 G HN 0.585 nan 8.290 nan 0.000 0.482 5 T N -1.274 113.326 114.554 0.078 0.000 2.880 5 T HA 0.646 5.001 4.350 0.009 0.000 0.279 5 T C -0.961 173.767 174.700 0.047 0.000 0.990 5 T CA -0.327 61.813 62.100 0.068 0.000 0.938 5 T CB 1.049 69.967 68.868 0.083 0.000 1.206 5 T HN 0.834 nan 8.240 nan 0.000 0.573 6 L N 2.406 123.656 121.223 0.043 0.000 2.342 6 L HA 0.615 4.960 4.340 0.009 0.000 0.276 6 L C -1.119 175.768 176.870 0.028 0.000 0.997 6 L CA -0.328 54.530 54.840 0.030 0.000 0.838 6 L CB 0.751 42.825 42.059 0.026 0.000 1.224 6 L HN 0.566 nan 8.230 nan 0.000 0.416 7 I N 5.161 125.742 120.570 0.019 0.000 2.336 7 I HA 0.436 4.611 4.170 0.009 0.000 0.292 7 I C -0.125 175.993 176.117 0.003 0.000 0.991 7 I CA -0.604 60.706 61.300 0.016 0.000 1.227 7 I CB 1.116 39.123 38.000 0.012 0.000 1.366 7 I HN 0.518 nan 8.210 nan 0.000 0.466 8 R N 5.863 126.367 120.500 0.006 0.000 2.310 8 R HA 0.515 4.860 4.340 0.009 0.000 0.324 8 R C -0.650 175.645 176.300 -0.009 0.000 0.955 8 R CA -0.659 55.439 56.100 -0.004 0.000 0.830 8 R CB 1.805 32.106 30.300 0.002 0.000 1.154 8 R HN 0.531 nan 8.270 nan 0.000 0.458 9 V N -0.356 119.544 119.914 -0.023 0.000 2.834 9 V HA 0.821 4.946 4.120 0.009 0.000 0.313 9 V C 0.051 176.115 176.094 -0.051 0.000 1.060 9 V CA -0.526 61.753 62.300 -0.036 0.000 0.989 9 V CB 1.870 33.666 31.823 -0.045 0.000 1.041 9 V HN 0.895 nan 8.190 nan 0.000 0.459 10 T N -0.411 114.092 114.554 -0.084 0.000 2.923 10 T HA 0.571 4.927 4.350 0.009 0.000 0.311 10 T C -2.555 172.026 174.700 -0.198 0.000 1.183 10 T CA -1.444 60.573 62.100 -0.138 0.000 1.020 10 T CB 1.807 70.624 68.868 -0.084 0.000 1.165 10 T HN 0.410 nan 8.240 nan 0.000 0.482 11 P HA -0.000 nan 4.420 nan 0.000 0.223 11 P C 1.376 178.585 177.300 -0.152 0.000 1.151 11 P CA 0.685 63.609 63.100 -0.293 0.000 0.787 11 P CB 0.248 31.705 31.700 -0.405 0.000 0.788 12 E N 0.771 120.898 120.200 -0.121 0.000 2.012 12 E HA -0.204 4.151 4.350 0.009 0.000 0.211 12 E C 1.016 177.592 176.600 -0.040 0.000 1.029 12 E CA 1.557 57.918 56.400 -0.065 0.000 0.867 12 E CB -0.324 29.348 29.700 -0.047 0.000 0.790 12 E HN 0.296 nan 8.360 nan 0.000 0.482 13 Q N -0.993 118.792 119.800 -0.025 0.000 2.892 13 Q HA 0.566 4.911 4.340 0.009 0.000 0.307 13 Q C -2.525 173.484 176.000 0.015 0.000 1.039 13 Q CA -2.066 53.743 55.803 0.010 0.000 0.792 13 Q CB 2.039 30.799 28.738 0.035 0.000 1.504 13 Q HN 0.085 nan 8.270 nan 0.000 0.487 14 P HA 0.294 nan 4.420 nan 0.000 0.287 14 P C -0.952 176.400 177.300 0.086 0.000 1.279 14 P CA -0.271 62.860 63.100 0.052 0.000 0.867 14 P CB 1.783 33.575 31.700 0.154 0.000 1.127 15 T N 1.147 115.696 114.554 -0.008 0.000 2.912 15 T HA 0.486 4.841 4.350 0.009 0.000 0.288 15 T C -0.644 174.016 174.700 -0.066 0.000 1.030 15 T CA -0.236 61.900 62.100 0.061 0.000 1.020 15 T CB 0.573 69.461 68.868 0.033 0.000 1.056 15 T HN 0.426 nan 8.240 nan 0.000 0.480 16 H N 0.010 119.160 119.070 0.132 0.000 2.621 16 H HA 0.839 5.401 4.556 0.008 0.000 0.360 16 H C -0.358 175.033 175.328 0.105 0.000 1.163 16 H CA -0.608 55.529 56.048 0.148 0.000 1.194 16 H CB 1.719 31.544 29.762 0.105 0.000 1.649 16 H HN 0.910 nan 8.280 nan 0.000 0.532 17 A N 1.095 124.034 122.820 0.199 0.000 2.594 17 A HA 0.513 4.838 4.320 0.009 0.000 0.296 17 A C -1.567 176.087 177.584 0.116 0.000 1.056 17 A CA -0.664 51.459 52.037 0.143 0.000 0.693 17 A CB 0.735 19.790 19.000 0.091 0.000 1.278 17 A HN 0.428 nan 8.150 nan 0.000 0.408 18 V N 0.161 120.139 119.914 0.107 0.000 2.481 18 V HA 0.520 4.645 4.120 0.009 0.000 0.286 18 V C -0.164 175.928 176.094 -0.004 0.000 1.042 18 V CA -0.384 61.944 62.300 0.047 0.000 0.928 18 V CB 1.113 32.959 31.823 0.037 0.000 0.986 18 V HN 0.982 nan 8.190 nan 0.000 0.462 19 C N 4.286 123.548 119.300 -0.063 0.000 2.431 19 C HA 0.580 5.045 4.460 0.009 0.000 0.321 19 C C 0.042 174.927 174.990 -0.174 0.000 1.202 19 C CA -0.841 58.124 59.018 -0.089 0.000 1.398 19 C CB 1.267 28.970 27.740 -0.061 0.000 2.047 19 C HN 0.655 nan 8.230 nan 0.000 0.465 20 V N 4.631 124.394 119.914 -0.252 0.000 2.498 20 V HA 0.249 4.374 4.120 0.009 0.000 0.279 20 V C 0.134 176.056 176.094 -0.287 0.000 1.048 20 V CA -0.443 61.617 62.300 -0.399 0.000 0.967 20 V CB 0.945 32.252 31.823 -0.860 0.000 0.988 20 V HN 0.635 nan 8.190 nan 0.000 0.473 21 L N 4.608 125.690 121.223 -0.236 0.000 2.513 21 L HA 0.487 4.833 4.340 0.009 0.000 0.272 21 L C 1.302 178.093 176.870 -0.132 0.000 1.187 21 L CA 1.936 56.685 54.840 -0.151 0.000 0.895 21 L CB 0.155 42.143 42.059 -0.118 0.000 1.147 21 L HN 1.013 nan 8.230 nan 0.000 0.483 22 G N 1.295 110.044 108.800 -0.085 0.000 2.284 22 G HA2 -0.250 3.715 3.960 0.009 0.000 0.216 22 G HA3 -0.250 3.715 3.960 0.009 0.000 0.216 22 G C 0.543 175.428 174.900 -0.026 0.000 1.009 22 G CA 0.077 45.148 45.100 -0.047 0.000 0.625 22 G HN 0.721 nan 8.290 nan 0.000 0.501 23 T N 1.640 116.165 114.554 -0.049 0.000 2.913 23 T HA 0.567 4.922 4.350 0.009 0.000 0.287 23 T C 0.057 174.756 174.700 -0.001 0.000 1.008 23 T CA -0.381 61.718 62.100 -0.000 0.000 1.067 23 T CB 0.832 69.701 68.868 0.002 0.000 0.996 23 T HN 0.583 nan 8.240 nan 0.000 0.513 24 L N 5.083 126.320 121.223 0.023 0.000 2.259 24 L HA 0.402 4.747 4.340 0.009 0.000 0.288 24 L C -0.285 176.599 176.870 0.023 0.000 1.051 24 L CA -0.114 54.737 54.840 0.018 0.000 0.824 24 L CB 0.401 42.474 42.059 0.023 0.000 1.206 24 L HN 0.757 nan 8.230 nan 0.000 0.429 25 T N 5.219 119.780 114.554 0.012 0.000 2.743 25 T HA 0.344 4.699 4.350 0.009 0.000 0.293 25 T C 0.112 174.820 174.700 0.014 0.000 0.945 25 T CA -0.298 61.812 62.100 0.016 0.000 1.030 25 T CB 1.072 69.944 68.868 0.006 0.000 0.912 25 T HN 0.532 nan 8.240 nan 0.000 0.483 26 Q N 1.975 121.786 119.800 0.019 0.000 2.235 26 Q HA 0.540 4.885 4.340 0.009 0.000 0.250 26 Q C -0.984 175.019 176.000 0.005 0.000 0.909 26 Q CA -0.882 54.929 55.803 0.013 0.000 0.910 26 Q CB 1.674 30.422 28.738 0.018 0.000 1.223 26 Q HN 0.372 nan 8.270 nan 0.000 0.432 27 L N 2.102 123.321 121.223 -0.006 0.000 2.341 27 L HA 0.350 4.695 4.340 0.009 0.000 0.278 27 L C -1.297 175.549 176.870 -0.040 0.000 1.005 27 L CA -0.338 54.489 54.840 -0.022 0.000 0.818 27 L CB 1.921 43.961 42.059 -0.032 0.000 1.259 27 L HN 0.532 nan 8.230 nan 0.000 0.418 28 D N 3.880 124.255 120.400 -0.041 0.000 2.392 28 D HA 0.326 4.972 4.640 0.009 0.000 0.228 28 D C 0.614 176.867 176.300 -0.079 0.000 1.074 28 D CA -0.313 53.656 54.000 -0.052 0.000 0.838 28 D CB 0.796 41.581 40.800 -0.026 0.000 1.067 28 D HN 0.382 nan 8.370 nan 0.000 0.511 29 I N 2.625 123.107 120.570 -0.146 0.000 2.810 29 I HA -0.066 4.109 4.170 0.009 0.000 0.262 29 I C 2.068 178.109 176.117 -0.127 0.000 1.131 29 I CA 0.346 61.522 61.300 -0.207 0.000 1.453 29 I CB -0.966 36.700 38.000 -0.557 0.000 1.161 29 I HN 0.545 nan 8.210 nan 0.000 0.444 30 C N 0.310 119.526 119.300 -0.140 0.000 2.435 30 C HA -0.049 4.417 4.460 0.009 0.000 0.279 30 C C 2.231 177.229 174.990 0.013 0.000 1.321 30 C CA 0.303 59.276 59.018 -0.075 0.000 1.752 30 C CB -1.052 26.644 27.740 -0.074 0.000 1.959 30 C HN 0.439 nan 8.230 nan 0.000 0.500 31 S N 1.951 117.655 115.700 0.006 0.000 4.053 31 S HA 0.117 4.593 4.470 0.009 0.000 0.184 31 S C 0.768 175.387 174.600 0.032 0.000 1.324 31 S CA -0.146 58.064 58.200 0.017 0.000 0.956 31 S CB -0.790 62.411 63.200 0.003 0.000 1.503 31 S HN 0.730 nan 8.310 nan 0.000 0.440 40 F N -0.386 119.235 119.950 -0.549 0.000 2.675 40 F HA 0.969 5.502 4.527 0.009 0.000 0.324 40 F C -0.624 174.966 175.800 -0.350 0.000 1.106 40 F CA -0.706 57.033 58.000 -0.435 0.000 0.970 40 F CB 1.304 40.034 39.000 -0.450 0.000 1.385 40 F HN 0.421 nan 8.300 nan 0.000 0.489 41 S N 1.669 117.280 115.700 -0.147 0.000 2.549 41 S HA 0.700 5.175 4.470 0.009 0.000 0.280 41 S C -1.538 172.998 174.600 -0.108 0.000 1.109 41 S CA -0.597 57.315 58.200 -0.480 0.000 0.905 41 S CB 1.792 64.790 63.200 -0.337 0.000 1.081 41 S HN 0.527 nan 8.310 nan 0.000 0.477 42 I N 3.532 123.965 120.570 -0.228 0.000 2.389 42 I HA 0.455 4.630 4.170 0.009 0.000 0.288 42 I C -0.476 175.590 176.117 -0.084 0.000 0.999 42 I CA -0.517 60.754 61.300 -0.050 0.000 1.129 42 I CB 1.379 39.395 38.000 0.027 0.000 1.288 42 I HN 0.577 nan 8.210 nan 0.000 0.444 43 N N 5.305 123.976 118.700 -0.048 0.000 2.352 43 N HA 0.787 5.532 4.740 0.009 0.000 0.291 43 N C -1.434 174.052 175.510 -0.039 0.000 1.040 43 N CA -0.299 52.725 53.050 -0.043 0.000 0.864 43 N CB 2.167 40.629 38.487 -0.042 0.000 1.440 43 N HN 0.741 nan 8.380 nan 0.000 0.483 44 A N 1.590 124.390 122.820 -0.032 0.000 2.566 44 A HA 0.715 5.040 4.320 0.009 0.000 0.292 44 A C -0.524 177.043 177.584 -0.028 0.000 1.112 44 A CA -0.697 51.318 52.037 -0.037 0.000 0.707 44 A CB 0.749 19.728 19.000 -0.035 0.000 1.302 44 A HN 0.575 nan 8.150 nan 0.000 0.409 45 S N 2.210 117.892 115.700 -0.031 0.000 2.558 45 S HA 0.141 4.616 4.470 0.009 0.000 0.287 45 S C -1.234 173.357 174.600 -0.015 0.000 1.321 45 S CA 0.141 58.329 58.200 -0.020 0.000 1.048 45 S CB 0.180 63.370 63.200 -0.017 0.000 0.844 45 S HN 0.650 nan 8.310 nan 0.000 0.512 46 P HA -0.148 nan 4.420 nan 0.000 0.216 46 P C 1.464 178.758 177.300 -0.010 0.000 1.153 46 P CA 1.664 64.759 63.100 -0.008 0.000 0.858 46 P CB -0.325 31.371 31.700 -0.006 0.000 0.789 47 G N -0.267 108.525 108.800 -0.012 0.000 2.559 47 G HA2 -0.014 3.952 3.960 0.009 0.000 0.216 47 G HA3 -0.014 3.952 3.960 0.009 0.000 0.216 47 G C 0.552 175.441 174.900 -0.019 0.000 1.126 47 G CA 0.124 45.214 45.100 -0.016 0.000 0.778 47 G HN 0.247 nan 8.290 nan 0.000 0.543 48 V N 1.335 121.238 119.914 -0.018 0.000 2.350 48 V HA 0.296 4.422 4.120 0.009 0.000 0.276 48 V C -0.183 175.902 176.094 -0.015 0.000 1.028 48 V CA -0.745 61.543 62.300 -0.020 0.000 0.860 48 V CB 1.780 33.589 31.823 -0.023 0.000 0.990 48 V HN -0.068 nan 8.190 nan 0.000 0.453 49 V N 6.484 126.390 119.914 -0.013 0.000 2.368 49 V HA 0.271 4.396 4.120 0.009 0.000 0.266 49 V C 0.053 176.145 176.094 -0.003 0.000 1.045 49 V CA -0.275 62.021 62.300 -0.007 0.000 0.899 49 V CB 1.466 33.285 31.823 -0.007 0.000 1.006 49 V HN 0.615 nan 8.190 nan 0.000 0.470 50 V N 4.747 124.663 119.914 0.002 0.000 2.313 50 V HA 0.385 4.510 4.120 0.009 0.000 0.278 50 V C -0.394 175.713 176.094 0.021 0.000 1.017 50 V CA -0.429 61.877 62.300 0.010 0.000 0.823 50 V CB 1.585 33.413 31.823 0.008 0.000 1.010 50 V HN 0.927 nan 8.190 nan 0.000 0.443 51 D N 4.297 124.712 120.400 0.024 0.000 2.375 51 D HA 0.589 5.234 4.640 0.009 0.000 0.247 51 D C -0.878 175.449 176.300 0.044 0.000 1.061 51 D CA -0.397 53.622 54.000 0.031 0.000 0.834 51 D CB 1.609 42.422 40.800 0.021 0.000 1.247 51 D HN 0.435 nan 8.370 nan 0.000 0.489 52 I N 1.724 122.330 120.570 0.060 0.000 2.785 52 I HA 0.841 5.016 4.170 0.009 0.000 0.302 52 I C -1.851 174.306 176.117 0.067 0.000 1.069 52 I CA -0.868 60.481 61.300 0.083 0.000 1.045 52 I CB 1.529 39.614 38.000 0.142 0.000 1.236 52 I HN 0.517 nan 8.210 nan 0.000 0.429 53 A N 5.238 128.103 122.820 0.075 0.000 2.398 53 A HA 0.524 4.849 4.320 0.009 0.000 0.301 53 A C -0.407 177.256 177.584 0.132 0.000 1.041 53 A CA -0.571 51.497 52.037 0.052 0.000 0.711 53 A CB 0.404 19.423 19.000 0.032 0.000 1.240 53 A HN 0.996 nan 8.150 nan 0.000 0.420 67 T N -1.087 113.652 114.554 0.308 0.000 2.802 67 T HA 0.605 4.960 4.350 0.009 0.000 0.311 67 T C -0.497 174.372 174.700 0.283 0.000 1.405 67 T CA -0.911 61.464 62.100 0.458 0.000 1.016 67 T CB 0.981 70.060 68.868 0.351 0.000 1.352 67 T HN 0.664 nan 8.240 nan 0.000 0.498 68 W N -0.279 120.820 121.300 -0.335 0.000 2.808 68 W HA 0.210 4.875 4.660 0.009 0.000 0.266 68 W C -2.000 174.236 176.519 -0.472 0.000 1.247 68 W CA -0.861 56.158 57.345 -0.543 0.000 1.440 68 W CB -0.465 28.842 29.460 -0.256 0.000 1.040 68 W HN 0.457 nan 8.180 nan 0.000 0.606 69 P HA -0.079 nan 4.420 nan 0.000 0.261 69 P C 0.276 177.669 177.300 0.155 0.000 1.203 69 P CA 0.696 63.820 63.100 0.040 0.000 0.767 69 P CB 0.290 32.005 31.700 0.024 0.000 0.785 70 L N 4.465 125.763 121.223 0.125 0.000 2.511 70 L HA 0.098 4.444 4.340 0.009 0.000 0.239 70 L C -0.004 176.894 176.870 0.047 0.000 1.400 70 L CA 0.758 55.682 54.840 0.141 0.000 1.226 70 L CB -1.742 40.302 42.059 -0.024 0.000 1.475 70 L HN 0.301 nan 8.230 nan 0.000 0.428 71 D N 2.238 122.687 120.400 0.081 0.000 2.256 71 D HA 0.313 4.958 4.640 0.009 0.000 0.240 71 D C -1.454 174.861 176.300 0.025 0.000 1.062 71 D CA -2.032 51.989 54.000 0.034 0.000 0.832 71 D CB 1.857 42.674 40.800 0.028 0.000 1.135 71 D HN 0.097 nan 8.370 nan 0.000 0.484 72 P HA -0.098 nan 4.420 nan 0.000 0.218 72 P C 1.197 178.502 177.300 0.008 0.000 1.146 72 P CA 0.847 63.941 63.100 -0.009 0.000 0.813 72 P CB 0.140 31.834 31.700 -0.009 0.000 0.778 73 G N 0.077 108.889 108.800 0.020 0.000 2.776 73 G HA2 -0.020 3.946 3.960 0.009 0.000 0.209 73 G HA3 -0.020 3.946 3.960 0.009 0.000 0.209 73 G C 0.532 175.463 174.900 0.052 0.000 1.145 73 G CA -0.125 44.993 45.100 0.029 0.000 0.791 73 G HN 0.320 nan 8.290 nan 0.000 0.530 74 V N 1.161 121.116 119.914 0.068 0.000 2.583 74 V HA 0.334 4.459 4.120 0.009 0.000 0.287 74 V C -0.788 175.354 176.094 0.081 0.000 1.051 74 V CA -0.774 61.594 62.300 0.113 0.000 1.010 74 V CB 1.463 33.401 31.823 0.191 0.000 0.988 74 V HN 0.207 nan 8.190 nan 0.000 0.478 75 E N 5.681 125.936 120.200 0.092 0.000 2.133 75 E HA 0.455 4.811 4.350 0.009 0.000 0.274 75 E C -1.041 175.599 176.600 0.067 0.000 0.930 75 E CA -0.405 56.032 56.400 0.062 0.000 0.770 75 E CB 1.805 31.537 29.700 0.054 0.000 1.104 75 E HN 0.403 nan 8.360 nan 0.000 0.403 76 V N 2.688 122.627 119.914 0.040 0.000 2.448 76 V HA 0.519 4.644 4.120 0.009 0.000 0.295 76 V C -0.018 176.089 176.094 0.021 0.000 1.025 76 V CA -0.718 61.605 62.300 0.039 0.000 0.859 76 V CB 1.761 33.595 31.823 0.018 0.000 0.988 76 V HN 0.799 nan 8.190 nan 0.000 0.431 77 T N 2.973 117.541 114.554 0.023 0.000 2.886 77 T HA 0.837 5.192 4.350 0.009 0.000 0.292 77 T C -1.010 173.694 174.700 0.008 0.000 1.012 77 T CA -0.681 61.428 62.100 0.014 0.000 0.982 77 T CB 1.720 70.598 68.868 0.016 0.000 1.018 77 T HN 0.174 nan 8.240 nan 0.000 0.451 78 L N 2.442 123.666 121.223 0.001 0.000 2.322 78 L HA 0.880 5.226 4.340 0.009 0.000 0.269 78 L C 0.345 177.209 176.870 -0.011 0.000 1.012 78 L CA -0.414 54.422 54.840 -0.007 0.000 0.815 78 L CB 2.118 44.170 42.059 -0.013 0.000 1.295 78 L HN 1.110 nan 8.230 nan 0.000 0.438 79 T N -0.580 113.963 114.554 -0.018 0.000 3.842 79 T HA 0.422 4.777 4.350 0.009 0.000 0.336 79 T C -0.428 174.252 174.700 -0.033 0.000 0.900 79 T CA -0.680 61.404 62.100 -0.027 0.000 1.022 79 T CB 0.393 69.248 68.868 -0.020 0.000 1.068 79 T HN 0.280 nan 8.240 nan 0.000 0.464 80 M N 2.979 122.551 119.600 -0.046 0.000 2.252 80 M HA 0.341 4.826 4.480 0.009 0.000 0.321 80 M C 1.458 177.730 176.300 -0.047 0.000 1.070 80 M CA -0.022 55.249 55.300 -0.049 0.000 1.143 80 M CB 0.891 33.450 32.600 -0.069 0.000 1.498 80 M HN 0.807 nan 8.290 nan 0.000 0.445 81 K N 1.928 122.304 120.400 -0.040 0.000 2.121 81 K HA 0.257 4.583 4.320 0.009 0.000 0.203 81 K C -0.651 175.924 176.600 -0.042 0.000 1.041 81 K CA 0.902 57.168 56.287 -0.035 0.000 0.969 81 K CB 0.462 32.947 32.500 -0.026 0.000 0.799 81 K HN 0.493 nan 8.250 nan 0.000 0.456 82 V N 0.965 120.853 119.914 -0.044 0.000 3.040 82 V HA 0.605 4.730 4.120 0.009 0.000 0.312 82 V C -0.917 175.139 176.094 -0.064 0.000 1.115 82 V CA -1.248 61.023 62.300 -0.049 0.000 0.998 82 V CB 1.574 33.376 31.823 -0.035 0.000 1.042 82 V HN 0.314 nan 8.190 nan 0.000 0.433 83 A N 2.195 124.971 122.820 -0.075 0.000 2.537 83 A HA 0.334 4.659 4.320 0.009 0.000 0.260 83 A C 0.729 178.264 177.584 -0.082 0.000 1.082 83 A CA 0.308 52.285 52.037 -0.101 0.000 0.765 83 A CB -0.426 18.513 19.000 -0.102 0.000 1.019 83 A HN 0.841 nan 8.150 nan 0.000 0.507 84 S N 2.209 117.855 115.700 -0.090 0.000 2.558 84 S HA 0.208 4.683 4.470 0.009 0.000 0.291 84 S C 1.710 176.280 174.600 -0.051 0.000 1.306 84 S CA 0.306 58.472 58.200 -0.057 0.000 1.056 84 S CB 1.043 64.214 63.200 -0.048 0.000 0.836 84 S HN 1.000 nan 8.310 nan 0.000 0.504 85 G N 1.361 110.146 108.800 -0.024 0.000 2.511 85 G HA2 0.139 4.104 3.960 0.009 0.000 0.217 85 G HA3 0.139 4.104 3.960 0.009 0.000 0.217 85 G C 0.333 175.231 174.900 -0.003 0.000 1.133 85 G CA 0.623 45.715 45.100 -0.013 0.000 0.792 85 G HN 0.839 nan 8.290 nan 0.000 0.539 86 S N -1.802 113.899 115.700 0.002 0.000 2.625 86 S HA 0.498 4.973 4.470 0.009 0.000 0.271 86 S C -0.639 173.979 174.600 0.029 0.000 1.161 86 S CA -0.640 57.571 58.200 0.018 0.000 0.820 86 S CB 1.226 64.437 63.200 0.019 0.000 1.137 86 S HN -0.005 nan 8.310 nan 0.000 0.470 87 T N 1.583 116.167 114.554 0.050 0.000 2.934 87 T HA 0.451 4.806 4.350 0.009 0.000 0.306 87 T C 1.427 176.165 174.700 0.064 0.000 1.042 87 T CA 1.157 63.300 62.100 0.073 0.000 1.145 87 T CB -0.312 68.602 68.868 0.077 0.000 0.982 87 T HN 2.080 nan 8.240 nan 0.000 0.544 88 G N 3.093 111.951 108.800 0.097 0.000 2.225 88 G HA2 -0.269 3.696 3.960 0.009 0.000 0.267 88 G HA3 -0.269 3.696 3.960 0.009 0.000 0.267 88 G C 0.626 175.605 174.900 0.132 0.000 1.024 88 G CA 0.358 45.540 45.100 0.137 0.000 0.784 88 G HN 0.794 nan 8.290 nan 0.000 0.507 89 D N -0.270 120.176 120.400 0.076 0.000 2.117 89 D HA 0.025 4.670 4.640 0.009 0.000 0.197 89 D C 1.458 177.791 176.300 0.056 0.000 0.987 89 D CA 1.322 55.354 54.000 0.054 0.000 0.829 89 D CB 0.106 40.919 40.800 0.022 0.000 0.961 89 D HN 0.555 nan 8.370 nan 0.000 0.460 90 Q N 0.021 119.850 119.800 0.048 0.000 2.274 90 Q HA 0.429 4.774 4.340 0.009 0.000 0.260 90 Q C -0.429 175.579 176.000 0.013 0.000 0.974 90 Q CA -0.483 55.332 55.803 0.021 0.000 0.876 90 Q CB 1.876 30.613 28.738 -0.003 0.000 1.297 90 Q HN 0.073 nan 8.270 nan 0.000 0.446 91 K N -0.492 119.881 120.400 -0.044 0.000 2.395 91 K HA 0.886 5.211 4.320 0.009 0.000 0.245 91 K C -1.145 175.370 176.600 -0.141 0.000 1.017 91 K CA -1.086 55.106 56.287 -0.157 0.000 0.852 91 K CB 1.602 33.938 32.500 -0.274 0.000 1.311 91 K HN 0.239 nan 8.250 nan 0.000 0.452 92 V N 1.325 121.127 119.914 -0.188 0.000 2.711 92 V HA 0.215 4.340 4.120 0.009 0.000 0.304 92 V C -1.335 174.673 176.094 -0.144 0.000 1.097 92 V CA -0.789 61.437 62.300 -0.124 0.000 0.906 92 V CB 1.657 33.427 31.823 -0.088 0.000 1.015 92 V HN 0.911 nan 8.190 nan 0.000 0.427 93 Q N 4.956 124.696 119.800 -0.099 0.000 2.337 93 Q HA 0.781 5.127 4.340 0.009 0.000 0.266 93 Q C -1.375 174.615 176.000 -0.016 0.000 1.023 93 Q CA -0.866 54.890 55.803 -0.079 0.000 0.829 93 Q CB 2.601 31.294 28.738 -0.075 0.000 1.306 93 Q HN 0.541 nan 8.270 nan 0.000 0.449 94 I N 2.147 122.731 120.570 0.024 0.000 2.339 94 I HA 0.286 4.461 4.170 0.009 0.000 0.290 94 I C -0.473 175.771 176.117 0.212 0.000 0.994 94 I CA -0.734 60.641 61.300 0.125 0.000 1.191 94 I CB 1.117 39.207 38.000 0.151 0.000 1.343 94 I HN 0.647 nan 8.210 nan 0.000 0.458 95 S N 6.456 122.291 115.700 0.224 0.000 2.411 95 S HA 0.420 4.895 4.470 0.009 0.000 0.294 95 S C -0.576 174.287 174.600 0.438 0.000 1.115 95 S CA -0.300 58.064 58.200 0.272 0.000 1.071 95 S CB 0.052 63.348 63.200 0.160 0.000 0.967 95 S HN 0.263 nan 8.310 nan 0.000 0.488 96 Y N 4.343 124.752 120.300 0.182 0.000 2.350 96 Y HA 0.487 5.042 4.550 0.009 0.000 0.340 96 Y C 0.150 176.190 175.900 0.234 0.000 1.006 96 Y CA -0.730 57.460 58.100 0.150 0.000 1.166 96 Y CB 0.266 38.767 38.460 0.068 0.000 1.168 96 Y HN 0.733 nan 8.280 nan 0.000 0.502 97 Y N 0.488 120.857 120.300 0.116 0.000 2.853 97 Y HA 0.936 5.491 4.550 0.009 0.000 0.326 97 Y C -0.267 175.670 175.900 0.062 0.000 1.384 97 Y CA -1.230 56.924 58.100 0.089 0.000 1.077 97 Y CB 1.058 39.562 38.460 0.072 0.000 1.395 97 Y HN 0.691 nan 8.280 nan 0.000 0.451 98 G N -0.966 107.945 108.800 0.184 0.000 2.367 98 G HA2 0.303 4.268 3.960 0.009 0.000 0.272 98 G HA3 0.303 4.268 3.960 0.009 0.000 0.272 98 G C -3.021 171.959 174.900 0.132 0.000 1.271 98 G CA -0.587 44.549 45.100 0.061 0.000 0.893 98 G HN 0.645 nan 8.290 nan 0.000 0.485 99 P HA 0.059 nan 4.420 nan 0.000 0.197 99 P C 0.056 177.396 177.300 0.067 0.000 1.121 99 P CA 1.110 64.248 63.100 0.063 0.000 1.318 99 P CB -0.309 31.413 31.700 0.037 0.000 1.634 100 K N 0.247 120.696 120.400 0.081 0.000 3.181 100 K HA -0.128 4.197 4.320 0.009 0.000 0.269 100 K C -0.847 175.794 176.600 0.069 0.000 1.097 100 K CA 1.019 57.347 56.287 0.068 0.000 0.783 100 K CB -1.869 30.659 32.500 0.047 0.000 1.267 100 K HN 0.574 nan 8.250 nan 0.000 0.484 101 T N -0.357 114.253 114.554 0.093 0.000 2.921 101 T HA 0.497 4.852 4.350 0.009 0.000 0.297 101 T C -2.756 172.007 174.700 0.105 0.000 1.013 101 T CA -1.663 60.491 62.100 0.089 0.000 0.990 101 T CB 1.928 70.852 68.868 0.092 0.000 1.023 101 T HN 0.005 nan 8.240 nan 0.000 0.447 102 P HA 0.211 nan 4.420 nan 0.000 0.259 102 P C -2.419 174.937 177.300 0.093 0.000 1.211 102 P CA -0.821 62.320 63.100 0.068 0.000 0.810 102 P CB -0.896 30.831 31.700 0.045 0.000 0.815 103 P HA -0.112 nan 4.420 nan 0.000 0.257 103 P C 0.360 177.737 177.300 0.128 0.000 1.144 103 P CA 0.496 63.697 63.100 0.167 0.000 0.761 103 P CB 0.201 31.962 31.700 0.102 0.000 0.734 104 V N 4.263 124.271 119.914 0.157 0.000 3.036 104 V HA 0.368 4.493 4.120 0.009 0.000 0.308 104 V C 0.283 176.422 176.094 0.075 0.000 1.070 104 V CA -0.295 62.050 62.300 0.075 0.000 1.056 104 V CB 1.169 33.004 31.823 0.021 0.000 1.084 104 V HN 0.563 nan 8.190 nan 0.000 0.471 105 K N 4.034 124.433 120.400 -0.001 0.000 2.397 105 K HA 0.836 5.161 4.320 0.009 0.000 0.253 105 K C -1.100 175.454 176.600 -0.076 0.000 0.932 105 K CA -0.658 55.627 56.287 -0.005 0.000 0.795 105 K CB 2.177 34.676 32.500 -0.002 0.000 1.159 105 K HN 0.653 nan 8.250 nan 0.000 0.424 106 A N 4.363 127.139 122.820 -0.073 0.000 2.287 106 A HA 0.556 4.881 4.320 0.009 0.000 0.317 106 A C -0.888 176.633 177.584 -0.104 0.000 1.220 106 A CA -0.859 51.108 52.037 -0.117 0.000 0.835 106 A CB 0.394 19.308 19.000 -0.144 0.000 1.180 106 A HN 0.631 nan 8.150 nan 0.000 0.500 107 L N 1.895 123.037 121.223 -0.135 0.000 2.360 107 L HA 0.747 5.092 4.340 0.009 0.000 0.271 107 L C -0.439 176.270 176.870 -0.267 0.000 1.057 107 L CA -0.561 54.140 54.840 -0.232 0.000 0.803 107 L CB 1.625 43.520 42.059 -0.274 0.000 1.207 107 L HN 0.638 nan 8.230 nan 0.000 0.445 108 L N 2.171 123.150 121.223 -0.407 0.000 2.661 108 L HA 0.436 4.782 4.340 0.009 0.000 0.263 108 L C -1.795 174.835 176.870 -0.401 0.000 0.956 108 L CA -0.132 54.520 54.840 -0.313 0.000 0.918 108 L CB 1.004 42.965 42.059 -0.163 0.000 1.280 108 L HN 0.326 nan 8.230 nan 0.000 0.416 109 Y N 5.662 125.820 120.300 -0.236 0.000 2.341 109 Y HA 0.653 5.208 4.550 0.009 0.000 0.340 109 Y C -0.203 175.650 175.900 -0.079 0.000 0.997 109 Y CA -0.742 57.256 58.100 -0.170 0.000 1.149 109 Y CB 1.164 39.485 38.460 -0.231 0.000 1.171 109 Y HN 0.328 nan 8.280 nan 0.000 0.494 110 L N 2.805 124.080 121.223 0.087 0.000 2.334 110 L HA 0.611 4.956 4.340 0.009 0.000 0.272 110 L C 0.032 176.941 176.870 0.064 0.000 1.020 110 L CA -0.705 54.171 54.840 0.060 0.000 0.812 110 L CB 1.718 43.783 42.059 0.009 0.000 1.264 110 L HN 0.559 nan 8.230 nan 0.000 0.439 111 T N 0.848 115.426 114.554 0.041 0.000 2.890 111 T HA 0.558 4.913 4.350 0.009 0.000 0.295 111 T C 0.147 174.799 174.700 -0.079 0.000 0.993 111 T CA -0.615 61.489 62.100 0.005 0.000 0.979 111 T CB 1.585 70.490 68.868 0.063 0.000 0.967 111 T HN 0.787 nan 8.240 nan 0.000 0.441 112 G N 2.120 110.852 108.800 -0.112 0.000 2.322 112 G HA2 0.597 4.562 3.960 0.009 0.000 0.309 112 G HA3 0.597 4.562 3.960 0.009 0.000 0.309 112 G C -0.157 174.590 174.900 -0.255 0.000 1.121 112 G CA -0.590 44.414 45.100 -0.160 0.000 0.886 112 G HN 0.816 nan 8.290 nan 0.000 0.447 113 V N 0.290 120.007 119.914 -0.328 0.000 2.823 113 V HA 0.731 4.857 4.120 0.009 0.000 0.312 113 V C -0.436 175.485 176.094 -0.289 0.000 1.072 113 V CA -1.349 60.704 62.300 -0.412 0.000 0.937 113 V CB 2.034 33.411 31.823 -0.743 0.000 1.013 113 V HN 0.768 nan 8.190 nan 0.000 0.430 114 E N 3.834 123.909 120.200 -0.208 0.000 2.109 114 E HA 0.509 4.865 4.350 0.009 0.000 0.278 114 E C -1.302 175.254 176.600 -0.073 0.000 0.954 114 E CA -0.726 55.593 56.400 -0.135 0.000 0.779 114 E CB 1.261 30.912 29.700 -0.081 0.000 1.093 114 E HN 0.711 nan 8.360 nan 0.000 0.401 115 I N 4.796 125.319 120.570 -0.078 0.000 2.495 115 I HA 0.168 4.343 4.170 0.009 0.000 0.277 115 I C -0.754 175.450 176.117 0.144 0.000 1.045 115 I CA -0.611 60.734 61.300 0.076 0.000 1.135 115 I CB 0.576 38.682 38.000 0.178 0.000 1.241 115 I HN 0.391 nan 8.210 nan 0.000 0.469 116 S N 6.407 122.179 115.700 0.120 0.000 2.519 116 S HA 0.591 5.066 4.470 0.009 0.000 0.309 116 S C -0.537 174.125 174.600 0.102 0.000 1.100 116 S CA -0.734 57.533 58.200 0.112 0.000 1.059 116 S CB 2.581 65.814 63.200 0.056 0.000 1.008 116 S HN 0.491 nan 8.310 nan 0.000 0.478 117 L N 3.496 124.773 121.223 0.090 0.000 2.259 117 L HA 0.474 4.819 4.340 0.009 0.000 0.288 117 L C -1.012 175.865 176.870 0.013 0.000 1.051 117 L CA -0.384 54.487 54.840 0.052 0.000 0.824 117 L CB -0.039 42.028 42.059 0.013 0.000 1.206 117 L HN 0.872 nan 8.230 nan 0.000 0.429 118 C N 4.054 123.365 119.300 0.018 0.000 2.454 118 C HA 0.961 5.426 4.460 0.009 0.000 0.336 118 C C 0.576 175.552 174.990 -0.022 0.000 1.189 118 C CA -0.412 58.596 59.018 -0.016 0.000 1.877 118 C CB 1.208 28.941 27.740 -0.012 0.000 2.348 118 C HN 0.959 nan 8.230 nan 0.000 0.508 119 A N 0.719 123.495 122.820 -0.074 0.000 2.535 119 A HA 0.671 4.997 4.320 0.009 0.000 0.296 119 A C -1.201 176.323 177.584 -0.101 0.000 1.248 119 A CA -0.169 51.824 52.037 -0.074 0.000 0.686 119 A CB 0.567 19.449 19.000 -0.196 0.000 1.315 119 A HN 0.673 nan 8.150 nan 0.000 0.460 120 D N 1.202 121.549 120.400 -0.088 0.000 2.713 120 D HA 0.175 4.820 4.640 0.009 0.000 0.229 120 D C 1.313 177.511 176.300 -0.171 0.000 1.136 120 D CA -0.093 53.846 54.000 -0.102 0.000 1.010 120 D CB -0.570 40.193 40.800 -0.063 0.000 1.084 120 D HN 0.479 nan 8.370 nan 0.000 0.495 121 I N -0.692 119.761 120.570 -0.196 0.000 2.676 121 I HA -0.083 4.092 4.170 0.009 0.000 0.259 121 I C 1.498 177.458 176.117 -0.262 0.000 1.194 121 I CA 0.982 62.134 61.300 -0.247 0.000 1.473 121 I CB -0.542 37.322 38.000 -0.228 0.000 1.096 121 I HN 0.121 nan 8.210 nan 0.000 0.443 122 T N -2.134 112.299 114.554 -0.202 0.000 3.144 122 T HA 0.250 4.605 4.350 0.009 0.000 0.249 122 T C 0.983 175.565 174.700 -0.196 0.000 1.089 122 T CA -0.210 61.780 62.100 -0.183 0.000 0.989 122 T CB -0.154 68.642 68.868 -0.119 0.000 0.992 122 T HN 0.393 nan 8.240 nan 0.000 0.540 123 R N -0.399 119.937 120.500 -0.273 0.000 4.000 123 R HA -0.148 4.197 4.340 0.009 0.000 0.348 123 R C 1.259 177.473 176.300 -0.143 0.000 1.204 123 R CA 1.173 57.054 56.100 -0.366 0.000 0.987 123 R CB -2.938 26.984 30.300 -0.630 0.000 1.446 123 R HN 0.519 nan 8.270 nan 0.000 0.555 124 T N -1.505 113.002 114.554 -0.079 0.000 3.148 124 T HA 0.264 4.619 4.350 0.009 0.000 0.253 124 T C 1.537 176.245 174.700 0.014 0.000 1.134 124 T CA 1.339 63.431 62.100 -0.012 0.000 1.051 124 T CB -0.143 68.713 68.868 -0.020 0.000 0.959 124 T HN 0.781 nan 8.240 nan 0.000 0.525 125 G N 1.265 110.070 108.800 0.009 0.000 2.179 125 G HA2 -0.238 3.727 3.960 0.009 0.000 0.260 125 G HA3 -0.238 3.727 3.960 0.009 0.000 0.260 125 G C 0.031 174.951 174.900 0.032 0.000 0.977 125 G CA 0.543 45.677 45.100 0.056 0.000 0.641 125 G HN 0.719 nan 8.290 nan 0.000 0.533 126 K N 0.484 120.885 120.400 0.002 0.000 2.345 126 K HA 0.619 4.944 4.320 0.009 0.000 0.255 126 K C 0.459 177.044 176.600 -0.024 0.000 0.934 126 K CA -0.473 55.811 56.287 -0.005 0.000 0.801 126 K CB 2.221 34.718 32.500 -0.005 0.000 1.137 126 K HN 0.564 nan 8.250 nan 0.000 0.424 127 V N 2.578 122.478 119.914 -0.023 0.000 2.488 127 V HA 0.494 4.620 4.120 0.009 0.000 0.277 127 V C -0.263 175.812 176.094 -0.031 0.000 1.046 127 V CA -0.370 61.911 62.300 -0.032 0.000 0.986 127 V CB 0.572 32.379 31.823 -0.027 0.000 0.989 127 V HN 0.887 nan 8.190 nan 0.000 0.475 137 R N 2.325 122.819 120.500 -0.010 0.000 2.287 137 R HA 0.474 4.819 4.340 0.009 0.000 0.327 137 R C -0.834 175.467 176.300 0.002 0.000 1.109 137 R CA 0.274 56.362 56.100 -0.020 0.000 1.013 137 R CB 0.596 30.880 30.300 -0.027 0.000 1.126 137 R HN 0.690 nan 8.270 nan 0.000 0.503 138 T N -1.697 112.858 114.554 0.001 0.000 2.894 138 T HA 0.382 4.737 4.350 0.009 0.000 0.309 138 T C -1.196 173.536 174.700 0.052 0.000 1.208 138 T CA -0.833 61.297 62.100 0.051 0.000 1.016 138 T CB 1.588 70.489 68.868 0.056 0.000 1.192 138 T HN 0.507 nan 8.240 nan 0.000 0.491 139 W N 3.245 124.506 121.300 -0.065 0.000 2.351 139 W HA 0.566 5.231 4.660 0.008 0.000 0.311 139 W C -0.016 176.450 176.519 -0.088 0.000 1.168 139 W CA 0.072 57.347 57.345 -0.116 0.000 1.200 139 W CB 1.205 30.578 29.460 -0.146 0.000 1.221 139 W HN 1.024 nan 8.180 nan 0.000 0.519 140 T N 2.080 116.335 114.554 -0.498 0.000 2.886 140 T HA 0.452 4.807 4.350 0.009 0.000 0.292 140 T C -0.628 173.742 174.700 -0.550 0.000 1.012 140 T CA -0.842 61.110 62.100 -0.247 0.000 0.982 140 T CB 0.748 69.539 68.868 -0.129 0.000 1.018 140 T HN 0.418 nan 8.240 nan 0.000 0.451 141 W N 1.487 122.721 121.300 -0.111 0.000 1.966 141 W HA 0.586 5.252 4.660 0.010 0.000 0.367 141 W C 1.314 177.792 176.519 -0.068 0.000 1.451 141 W CA 1.279 58.613 57.345 -0.019 0.000 1.538 141 W CB -0.208 29.395 29.460 0.238 0.000 1.251 141 W HN 1.433 nan 8.180 nan 0.000 0.671 142 G N 0.319 109.310 108.800 0.319 0.000 2.795 142 G HA2 -0.192 3.773 3.960 0.009 0.000 0.664 142 G HA3 -0.192 3.773 3.960 0.009 0.000 0.664 142 G C -1.657 173.272 174.900 0.049 0.000 1.381 142 G CA -0.489 44.707 45.100 0.160 0.000 0.853 142 G HN 0.381 nan 8.290 nan 0.000 0.545 143 P HA 0.051 nan 4.420 nan 0.000 0.226 143 P C 1.299 178.573 177.300 -0.043 0.000 1.153 143 P CA 1.660 64.739 63.100 -0.036 0.000 0.777 143 P CB 0.084 31.750 31.700 -0.057 0.000 0.794 144 C N -1.027 118.250 119.300 -0.038 0.000 3.038 144 C HA 0.426 4.891 4.460 0.009 0.000 0.279 144 C C 1.745 176.682 174.990 -0.087 0.000 1.276 144 C CA -0.216 58.770 59.018 -0.054 0.000 1.697 144 C CB -0.737 26.983 27.740 -0.034 0.000 2.032 144 C HN 0.191 nan 8.230 nan 0.000 0.636 145 G N 0.233 108.962 108.800 -0.118 0.000 2.553 145 G HA2 0.507 4.473 3.960 0.009 0.000 0.278 145 G HA3 0.507 4.473 3.960 0.009 0.000 0.278 145 G C -0.717 173.992 174.900 -0.318 0.000 1.349 145 G CA 0.057 45.027 45.100 -0.217 0.000 1.037 145 G HN 0.461 nan 8.290 nan 0.000 0.508 146 Q N -1.719 117.793 119.800 -0.480 0.000 2.377 146 Q HA 0.557 4.903 4.340 0.009 0.000 0.279 146 Q C -0.737 174.773 176.000 -0.816 0.000 1.049 146 Q CA -0.578 54.921 55.803 -0.507 0.000 0.825 146 Q CB 2.767 31.316 28.738 -0.316 0.000 1.401 146 Q HN 1.252 nan 8.270 nan 0.000 0.404 147 G N 0.347 108.743 108.800 -0.672 0.000 2.350 147 G HA2 0.358 4.323 3.960 0.009 0.000 0.274 147 G HA3 0.358 4.323 3.960 0.009 0.000 0.274 147 G C -1.063 173.708 174.900 -0.214 0.000 1.621 147 G CA -0.402 44.336 45.100 -0.604 0.000 0.935 147 G HN 0.674 nan 8.290 nan 0.000 0.694 148 A N 1.526 124.256 122.820 -0.151 0.000 2.406 148 A HA 0.786 5.111 4.320 0.009 0.000 0.243 148 A C 0.434 178.153 177.584 0.225 0.000 1.082 148 A CA 0.128 52.106 52.037 -0.098 0.000 0.786 148 A CB 0.347 19.099 19.000 -0.413 0.000 1.029 148 A HN 1.117 nan 8.150 nan 0.000 0.495 149 I N 0.411 121.114 120.570 0.222 0.000 2.569 149 I HA 0.391 4.566 4.170 0.009 0.000 0.296 149 I C -0.677 175.631 176.117 0.317 0.000 1.028 149 I CA -0.240 61.221 61.300 0.270 0.000 1.082 149 I CB 1.776 39.839 38.000 0.105 0.000 1.264 149 I HN 0.464 nan 8.210 nan 0.000 0.429 150 L N 6.128 127.497 121.223 0.242 0.000 2.346 150 L HA 0.581 4.927 4.340 0.009 0.000 0.274 150 L C -0.725 176.206 176.870 0.102 0.000 1.007 150 L CA -0.748 54.170 54.840 0.130 0.000 0.818 150 L CB 1.962 44.013 42.059 -0.013 0.000 1.284 150 L HN 0.372 nan 8.230 nan 0.000 0.424 151 L N 2.353 123.635 121.223 0.099 0.000 2.360 151 L HA 0.535 4.880 4.340 0.009 0.000 0.271 151 L C -0.235 176.594 176.870 -0.069 0.000 1.057 151 L CA -0.952 53.911 54.840 0.038 0.000 0.803 151 L CB 2.007 44.119 42.059 0.089 0.000 1.207 151 L HN 0.251 nan 8.230 nan 0.000 0.445 152 V N 1.174 120.961 119.914 -0.212 0.000 2.686 152 V HA 0.125 4.250 4.120 0.009 0.000 0.295 152 V C 0.356 176.370 176.094 -0.133 0.000 1.057 152 V CA -0.715 61.401 62.300 -0.307 0.000 1.012 152 V CB 1.446 32.769 31.823 -0.834 0.000 1.006 152 V HN 0.674 nan 8.190 nan 0.000 0.477 153 N N 2.604 121.261 118.700 -0.072 0.000 2.416 153 N HA 0.080 4.825 4.740 0.009 0.000 0.265 153 N C -0.802 174.734 175.510 0.043 0.000 1.195 153 N CA -0.044 53.008 53.050 0.003 0.000 0.943 153 N CB 0.469 38.963 38.487 0.012 0.000 1.115 153 N HN 0.704 nan 8.380 nan 0.000 0.481 154 C N 3.762 123.120 119.300 0.097 0.000 2.248 154 C HA 0.420 4.885 4.460 0.009 0.000 0.320 154 C C -0.766 174.342 174.990 0.196 0.000 1.065 154 C CA -0.893 58.230 59.018 0.175 0.000 1.558 154 C CB -1.071 26.812 27.740 0.240 0.000 1.787 154 C HN 0.551 nan 8.230 nan 0.000 0.426 155 D N 1.949 122.428 120.400 0.133 0.000 2.787 155 D HA 0.542 5.187 4.640 0.009 0.000 0.246 155 D C -0.120 176.187 176.300 0.012 0.000 1.150 155 D CA -0.448 53.610 54.000 0.097 0.000 0.864 155 D CB 1.651 42.488 40.800 0.061 0.000 1.481 155 D HN 0.519 nan 8.370 nan 0.000 0.509 156 R N 0.299 120.752 120.500 -0.079 0.000 2.856 156 R HA 0.844 5.189 4.340 0.009 0.000 0.258 156 R C -0.922 175.302 176.300 -0.125 0.000 1.066 156 R CA -0.636 55.350 56.100 -0.190 0.000 1.045 156 R CB 0.778 30.783 30.300 -0.490 0.000 1.178 156 R HN 0.078 nan 8.270 nan 0.000 0.499 173 D N -1.591 118.712 120.400 -0.161 0.000 2.921 173 D HA 0.257 4.902 4.640 0.009 0.000 0.329 173 D C 0.567 176.738 176.300 -0.216 0.000 1.293 173 D CA 0.401 54.297 54.000 -0.174 0.000 0.964 173 D CB 1.446 42.183 40.800 -0.104 0.000 1.435 173 D HN 0.545 nan 8.370 nan 0.000 0.548 174 S N 0.058 115.642 115.700 -0.193 0.000 2.423 174 S HA -0.274 4.201 4.470 0.009 0.000 0.238 174 S C 1.412 175.936 174.600 -0.127 0.000 1.028 174 S CA 1.741 59.836 58.200 -0.175 0.000 1.000 174 S CB -0.301 62.836 63.200 -0.105 0.000 0.797 174 S HN 0.610 nan 8.310 nan 0.000 0.487 175 E N 2.449 122.586 120.200 -0.105 0.000 2.219 175 E HA -0.231 4.124 4.350 0.009 0.000 0.198 175 E C 0.296 176.846 176.600 -0.083 0.000 0.998 175 E CA 1.926 58.282 56.400 -0.075 0.000 0.818 175 E CB -0.404 29.259 29.700 -0.062 0.000 0.741 175 E HN 0.647 nan 8.360 nan 0.000 0.477 176 D N -1.149 119.173 120.400 -0.130 0.000 3.007 176 D HA 0.238 4.883 4.640 0.009 0.000 0.363 176 D C 0.004 176.182 176.300 -0.204 0.000 1.474 176 D CA -0.146 53.773 54.000 -0.135 0.000 0.767 176 D CB -0.110 40.614 40.800 -0.128 0.000 1.227 176 D HN 0.139 nan 8.370 nan 0.000 0.471 177 L N 0.652 121.741 121.223 -0.222 0.000 3.386 177 L HA 0.120 4.466 4.340 0.009 0.000 0.307 177 L C 1.931 178.716 176.870 -0.140 0.000 1.235 177 L CA 0.001 54.665 54.840 -0.294 0.000 1.056 177 L CB 0.565 42.238 42.059 -0.644 0.000 1.453 177 L HN 0.143 nan 8.230 nan 0.000 0.615 178 Q N -0.395 119.373 119.800 -0.054 0.000 2.297 178 Q HA -0.150 4.196 4.340 0.009 0.000 0.204 178 Q C 0.421 176.526 176.000 0.176 0.000 0.962 178 Q CA 1.594 57.430 55.803 0.055 0.000 0.879 178 Q CB -0.145 28.618 28.738 0.042 0.000 0.947 178 Q HN 0.355 nan 8.270 nan 0.000 0.462 179 D N 0.560 121.037 120.400 0.129 0.000 2.323 179 D HA 0.084 4.729 4.640 0.009 0.000 0.209 179 D C 0.371 176.868 176.300 0.328 0.000 0.973 179 D CA 0.643 54.757 54.000 0.190 0.000 0.874 179 D CB 0.169 41.024 40.800 0.093 0.000 0.930 179 D HN 0.262 nan 8.370 nan 0.000 0.521 180 M N 0.065 119.784 119.600 0.197 0.000 2.283 180 M HA 0.280 4.765 4.480 0.009 0.000 0.314 180 M C 0.120 176.410 176.300 -0.017 0.000 1.153 180 M CA -0.339 55.052 55.300 0.150 0.000 1.084 180 M CB 1.535 34.211 32.600 0.125 0.000 1.468 180 M HN -0.305 nan 8.290 nan 0.000 0.474 181 S N 1.810 117.454 115.700 -0.092 0.000 2.525 181 S HA 0.469 4.944 4.470 0.009 0.000 0.278 181 S C -0.700 173.838 174.600 -0.102 0.000 1.234 181 S CA -0.813 57.246 58.200 -0.236 0.000 1.058 181 S CB 0.954 64.102 63.200 -0.087 0.000 0.983 181 S HN 0.497 nan 8.310 nan 0.000 0.495 182 L N 4.126 125.273 121.223 -0.126 0.000 2.305 182 L HA 0.615 4.961 4.340 0.009 0.000 0.281 182 L C -0.485 176.343 176.870 -0.069 0.000 1.085 182 L CA 0.098 54.812 54.840 -0.211 0.000 0.813 182 L CB 0.699 42.651 42.059 -0.178 0.000 1.157 182 L HN 0.763 nan 8.230 nan 0.000 0.436 183 M N 4.954 124.517 119.600 -0.061 0.000 2.259 183 M HA 0.406 4.891 4.480 0.009 0.000 0.304 183 M C -1.073 175.313 176.300 0.143 0.000 1.019 183 M CA -0.267 55.095 55.300 0.103 0.000 0.922 183 M CB 1.851 34.568 32.600 0.196 0.000 1.600 183 M HN 0.715 nan 8.290 nan 0.000 0.433 184 T N 5.146 119.767 114.554 0.112 0.000 2.841 184 T HA 0.524 4.879 4.350 0.009 0.000 0.283 184 T C -1.487 173.309 174.700 0.161 0.000 1.000 184 T CA -0.711 61.462 62.100 0.122 0.000 0.977 184 T CB 1.079 69.955 68.868 0.013 0.000 0.979 184 T HN 0.752 nan 8.240 nan 0.000 0.446 185 L N 4.230 125.597 121.223 0.239 0.000 2.282 185 L HA 0.634 4.979 4.340 0.009 0.000 0.288 185 L C -0.478 176.465 176.870 0.121 0.000 1.033 185 L CA -0.353 54.620 54.840 0.222 0.000 0.807 185 L CB 1.463 43.751 42.059 0.382 0.000 1.209 185 L HN 0.669 nan 8.230 nan 0.000 0.423 186 S N 2.185 117.946 115.700 0.101 0.000 2.482 186 S HA 0.731 5.206 4.470 0.009 0.000 0.303 186 S C -0.429 174.234 174.600 0.104 0.000 1.091 186 S CA -0.535 57.705 58.200 0.067 0.000 1.057 186 S CB 1.954 65.174 63.200 0.033 0.000 1.031 186 S HN 0.748 nan 8.310 nan 0.000 0.485 187 T N 0.475 115.102 114.554 0.122 0.000 2.903 187 T HA 0.700 5.055 4.350 0.009 0.000 0.299 187 T C -1.739 173.026 174.700 0.109 0.000 1.093 187 T CA -1.081 61.107 62.100 0.148 0.000 1.002 187 T CB 1.511 70.545 68.868 0.277 0.000 1.127 187 T HN 0.316 nan 8.240 nan 0.000 0.488 188 K N 2.445 122.870 120.400 0.041 0.000 2.668 188 K HA 0.558 4.884 4.320 0.009 0.000 0.246 188 K C -0.847 175.696 176.600 -0.095 0.000 0.976 188 K CA -0.556 55.731 56.287 -0.001 0.000 0.902 188 K CB 1.748 34.230 32.500 -0.030 0.000 1.172 188 K HN 1.100 nan 8.250 nan 0.000 0.452 189 T N -1.335 113.173 114.554 -0.077 0.000 2.883 189 T HA 0.551 4.906 4.350 0.009 0.000 0.301 189 T C -3.020 171.611 174.700 -0.116 0.000 1.158 189 T CA -2.189 59.750 62.100 -0.269 0.000 1.007 189 T CB 2.254 70.851 68.868 -0.453 0.000 1.186 189 T HN 0.110 nan 8.240 nan 0.000 0.499 190 P HA 0.104 nan 4.420 nan 0.000 0.267 190 P C 0.888 178.237 177.300 0.081 0.000 1.205 190 P CA -0.275 62.825 63.100 -0.002 0.000 0.765 190 P CB 0.892 32.603 31.700 0.017 0.000 0.828 191 K N 3.261 123.707 120.400 0.077 0.000 2.148 191 K HA -0.225 4.100 4.320 0.009 0.000 0.213 191 K C 1.002 177.675 176.600 0.122 0.000 1.050 191 K CA 2.375 58.721 56.287 0.098 0.000 0.932 191 K CB -0.579 31.960 32.500 0.065 0.000 0.717 191 K HN 0.626 nan 8.250 nan 0.000 0.462 192 D N -1.301 119.160 120.400 0.101 0.000 2.325 192 D HA -0.081 4.564 4.640 0.009 0.000 0.225 192 D C 1.685 178.037 176.300 0.087 0.000 1.096 192 D CA -0.206 53.844 54.000 0.083 0.000 0.844 192 D CB -0.685 40.142 40.800 0.046 0.000 0.925 192 D HN 0.195 nan 8.370 nan 0.000 0.513 193 F N 0.737 120.641 119.950 -0.077 0.000 2.171 193 F HA -0.024 4.508 4.527 0.008 0.000 0.300 193 F C 0.970 176.605 175.800 -0.275 0.000 1.090 193 F CA 1.024 58.891 58.000 -0.222 0.000 1.293 193 F CB -0.076 38.650 39.000 -0.457 0.000 1.013 193 F HN -0.188 nan 8.300 nan 0.000 0.486 194 F N 0.381 120.355 119.950 0.040 0.000 2.757 194 F HA 0.099 4.630 4.527 0.007 0.000 0.292 194 F C 1.770 177.509 175.800 -0.101 0.000 1.204 194 F CA 0.394 58.351 58.000 -0.070 0.000 1.417 194 F CB -0.629 38.397 39.000 0.043 0.000 1.001 194 F HN -0.027 nan 8.300 nan 0.000 0.508 195 T N -4.838 109.687 114.554 -0.048 0.000 3.023 195 T HA 0.066 4.421 4.350 0.009 0.000 0.249 195 T C 1.366 175.970 174.700 -0.161 0.000 1.050 195 T CA 0.314 62.374 62.100 -0.067 0.000 1.088 195 T CB 0.067 68.901 68.868 -0.056 0.000 0.946 195 T HN 0.119 nan 8.240 nan 0.000 0.480 196 N N 0.786 119.311 118.700 -0.292 0.000 2.171 196 N HA 0.127 4.872 4.740 0.009 0.000 0.212 196 N C -0.554 174.495 175.510 -0.768 0.000 1.184 196 N CA -0.020 52.741 53.050 -0.481 0.000 0.888 196 N CB 0.749 38.921 38.487 -0.525 0.000 1.038 196 N HN 0.535 nan 8.380 nan 0.000 0.517 197 H N -0.071 118.764 119.070 -0.392 0.000 2.851 197 H HA 0.370 4.930 4.556 0.008 0.000 0.372 197 H C -0.277 175.049 175.328 -0.003 0.000 1.158 197 H CA -0.396 55.463 56.048 -0.315 0.000 1.159 197 H CB 2.249 31.575 29.762 -0.728 0.000 1.757 197 H HN -0.044 nan 8.280 nan 0.000 0.546 198 T N 0.147 114.820 114.554 0.198 0.000 2.903 198 T HA 0.620 4.976 4.350 0.009 0.000 0.299 198 T C -0.511 174.350 174.700 0.268 0.000 1.093 198 T CA -0.948 61.278 62.100 0.211 0.000 1.002 198 T CB 1.529 70.358 68.868 -0.065 0.000 1.127 198 T HN 0.271 nan 8.240 nan 0.000 0.488 199 L N 2.036 123.418 121.223 0.265 0.000 2.295 199 L HA 0.797 5.142 4.340 0.009 0.000 0.285 199 L C -0.309 176.741 176.870 0.300 0.000 1.035 199 L CA -1.156 53.858 54.840 0.290 0.000 0.806 199 L CB 1.777 44.000 42.059 0.274 0.000 1.214 199 L HN 0.604 nan 8.230 nan 0.000 0.426 200 V N 5.119 125.223 119.914 0.316 0.000 2.604 200 V HA 0.500 4.625 4.120 0.009 0.000 0.305 200 V C -0.896 175.380 176.094 0.303 0.000 1.043 200 V CA -0.554 61.950 62.300 0.341 0.000 0.888 200 V CB 2.164 34.187 31.823 0.333 0.000 0.995 200 V HN 0.556 nan 8.190 nan 0.000 0.429 201 L N 7.617 128.987 121.223 0.244 0.000 2.307 201 L HA 0.759 5.105 4.340 0.009 0.000 0.284 201 L C -0.798 176.170 176.870 0.163 0.000 1.023 201 L CA -0.345 54.546 54.840 0.086 0.000 0.810 201 L CB 1.311 43.351 42.059 -0.031 0.000 1.231 201 L HN 0.952 nan 8.230 nan 0.000 0.423 202 H N 2.677 121.742 119.070 -0.007 0.000 2.990 202 H HA 0.711 5.272 4.556 0.009 0.000 0.343 202 H C -1.644 173.673 175.328 -0.017 0.000 1.270 202 H CA -0.843 55.203 56.048 -0.002 0.000 1.118 202 H CB 1.994 31.759 29.762 0.005 0.000 1.861 202 H HN 0.286 nan 8.280 nan 0.000 0.544 203 V N 0.124 120.108 119.914 0.117 0.000 3.007 203 V HA 0.611 4.736 4.120 0.009 0.000 0.311 203 V C 0.477 176.624 176.094 0.088 0.000 1.120 203 V CA -0.657 61.671 62.300 0.047 0.000 0.980 203 V CB 1.622 33.442 31.823 -0.006 0.000 1.033 203 V HN 1.145 nan 8.190 nan 0.000 0.429 204 A N 2.124 124.985 122.820 0.069 0.000 2.425 204 A HA 0.365 4.690 4.320 0.009 0.000 0.242 204 A C 1.183 178.784 177.584 0.028 0.000 1.077 204 A CA 0.037 52.110 52.037 0.059 0.000 0.781 204 A CB 0.034 19.066 19.000 0.053 0.000 1.020 204 A HN 0.903 nan 8.150 nan 0.000 0.494 205 R N 0.649 121.162 120.500 0.022 0.000 2.152 205 R HA -0.124 4.222 4.340 0.009 0.000 0.232 205 R C 2.163 178.457 176.300 -0.010 0.000 1.117 205 R CA 1.622 57.725 56.100 0.005 0.000 0.981 205 R CB -0.208 30.096 30.300 0.007 0.000 0.870 205 R HN 0.902 nan 8.270 nan 0.000 0.451 206 S N 0.005 115.704 115.700 -0.001 0.000 2.555 206 S HA -0.048 4.427 4.470 0.009 0.000 0.230 206 S C 1.209 175.788 174.600 -0.035 0.000 0.978 206 S CA 0.747 58.942 58.200 -0.008 0.000 0.934 206 S CB 0.173 63.384 63.200 0.018 0.000 0.766 206 S HN 0.357 nan 8.310 nan 0.000 0.533 207 E N 0.575 120.752 120.200 -0.039 0.000 2.572 207 E HA 0.230 4.585 4.350 0.009 0.000 0.220 207 E C 1.755 178.286 176.600 -0.115 0.000 0.945 207 E CA 0.194 56.546 56.400 -0.080 0.000 1.070 207 E CB 0.111 29.807 29.700 -0.007 0.000 1.090 207 E HN 0.747 nan 8.360 nan 0.000 0.506 208 M N 1.072 120.618 119.600 -0.090 0.000 2.202 208 M HA -0.111 4.375 4.480 0.009 0.000 0.262 208 M C 1.311 177.521 176.300 -0.150 0.000 1.063 208 M CA 1.714 56.949 55.300 -0.109 0.000 1.097 208 M CB -0.419 32.135 32.600 -0.076 0.000 1.382 208 M HN -0.104 nan 8.290 nan 0.000 0.413 209 D N 0.580 120.889 120.400 -0.152 0.000 2.349 209 D HA -0.055 4.590 4.640 0.009 0.000 0.224 209 D C 0.969 177.144 176.300 -0.207 0.000 1.029 209 D CA 0.591 54.493 54.000 -0.162 0.000 0.879 209 D CB -0.212 40.507 40.800 -0.134 0.000 0.906 209 D HN 0.521 nan 8.370 nan 0.000 0.528 210 K N -0.184 120.061 120.400 -0.258 0.000 2.387 210 K HA 0.256 4.581 4.320 0.009 0.000 0.203 210 K C -0.298 176.172 176.600 -0.217 0.000 1.030 210 K CA -0.180 55.909 56.287 -0.331 0.000 1.099 210 K CB 1.968 34.068 32.500 -0.668 0.000 0.863 210 K HN -0.011 nan 8.250 nan 0.000 0.529 211 V N 0.247 120.052 119.914 -0.182 0.000 3.147 211 V HA 0.576 4.701 4.120 0.009 0.000 0.306 211 V C -2.064 173.917 176.094 -0.189 0.000 1.209 211 V CA -0.967 61.237 62.300 -0.161 0.000 1.023 211 V CB 2.382 34.117 31.823 -0.146 0.000 1.059 211 V HN 0.102 nan 8.190 nan 0.000 0.435 212 R N 2.555 122.947 120.500 -0.180 0.000 2.621 212 R HA 0.823 5.168 4.340 0.009 0.000 0.284 212 R C -2.250 173.908 176.300 -0.235 0.000 0.998 212 R CA -0.303 55.643 56.100 -0.257 0.000 0.895 212 R CB 2.307 32.497 30.300 -0.183 0.000 1.195 212 R HN 0.614 nan 8.270 nan 0.000 0.450 213 V N 5.218 124.910 119.914 -0.369 0.000 2.483 213 V HA 0.548 4.674 4.120 0.009 0.000 0.297 213 V C -1.033 174.907 176.094 -0.257 0.000 1.027 213 V CA -0.632 61.551 62.300 -0.194 0.000 0.855 213 V CB 1.345 33.076 31.823 -0.152 0.000 0.995 213 V HN 0.586 nan 8.190 nan 0.000 0.424 214 F N 2.327 122.332 119.950 0.092 0.000 2.450 214 F HA 0.569 5.101 4.527 0.008 0.000 0.332 214 F C 0.381 176.299 175.800 0.197 0.000 1.093 214 F CA -0.512 57.562 58.000 0.123 0.000 1.003 214 F CB 1.640 40.712 39.000 0.121 0.000 1.151 214 F HN 0.441 nan 8.300 nan 0.000 0.474 215 Q N 2.098 122.063 119.800 0.275 0.000 2.278 215 Q HA 0.664 5.009 4.340 0.009 0.000 0.257 215 Q C -0.948 175.086 176.000 0.057 0.000 0.928 215 Q CA -0.817 55.015 55.803 0.049 0.000 0.932 215 Q CB 1.406 30.155 28.738 0.019 0.000 1.221 215 Q HN 0.817 nan 8.270 nan 0.000 0.434 216 A N 3.899 126.705 122.820 -0.024 0.000 2.415 216 A HA 0.281 4.606 4.320 0.009 0.000 0.309 216 A C -0.279 177.299 177.584 -0.011 0.000 1.356 216 A CA -0.451 51.633 52.037 0.078 0.000 0.998 216 A CB 0.183 19.326 19.000 0.239 0.000 1.145 216 A HN 0.742 nan 8.150 nan 0.000 0.545 217 T N 4.996 119.561 114.554 0.018 0.000 2.987 217 T HA 0.232 4.587 4.350 0.009 0.000 0.288 217 T C 0.618 175.332 174.700 0.023 0.000 0.981 217 T CA -0.221 61.890 62.100 0.018 0.000 1.031 217 T CB -0.230 68.658 68.868 0.034 0.000 0.976 217 T HN 0.571 nan 8.240 nan 0.000 0.612 225 C N 0.078 119.413 119.300 0.059 0.000 2.811 225 C HA 0.734 5.199 4.460 0.009 0.000 0.352 225 C C -0.669 174.458 174.990 0.227 0.000 1.098 225 C CA -0.562 58.535 59.018 0.132 0.000 1.295 225 C CB 1.487 29.286 27.740 0.098 0.000 1.758 225 C HN 0.697 nan 8.230 nan 0.000 0.488 226 S N 0.954 116.795 115.700 0.236 0.000 2.542 226 S HA 0.714 5.189 4.470 0.009 0.000 0.293 226 S C -0.490 174.166 174.600 0.094 0.000 1.089 226 S CA -0.352 57.973 58.200 0.208 0.000 0.961 226 S CB 1.348 64.642 63.200 0.155 0.000 1.062 226 S HN 0.569 nan 8.310 nan 0.000 0.483 227 V N 4.373 124.228 119.914 -0.099 0.000 2.617 227 V HA 0.044 4.169 4.120 0.009 0.000 0.304 227 V C 1.243 177.188 176.094 -0.249 0.000 1.040 227 V CA 0.668 62.690 62.300 -0.465 0.000 1.149 227 V CB 0.730 32.205 31.823 -0.580 0.000 0.914 227 V HN 0.825 nan 8.190 nan 0.000 0.487 228 V N 2.471 122.188 119.914 -0.328 0.000 3.562 228 V HA 0.511 4.636 4.120 0.009 0.000 0.270 228 V C 0.166 176.174 176.094 -0.144 0.000 1.418 228 V CA 0.176 62.325 62.300 -0.252 0.000 1.033 228 V CB 0.069 31.710 31.823 -0.303 0.000 0.820 228 V HN 0.534 nan 8.190 nan 0.000 0.441 229 L N 0.550 121.572 121.223 -0.336 0.000 2.526 229 L HA 0.877 5.222 4.340 0.009 0.000 0.263 229 L C -0.137 176.462 176.870 -0.451 0.000 0.943 229 L CA 0.205 54.886 54.840 -0.266 0.000 0.859 229 L CB 2.000 43.971 42.059 -0.148 0.000 1.313 229 L HN 0.353 nan 8.230 nan 0.000 0.406 230 G N 1.876 110.394 108.800 -0.470 0.000 2.428 230 G HA2 0.337 4.303 3.960 0.009 0.000 0.304 230 G HA3 0.337 4.303 3.960 0.009 0.000 0.304 230 G C -2.910 171.777 174.900 -0.355 0.000 1.303 230 G CA -0.464 44.361 45.100 -0.457 0.000 0.825 230 G HN 0.283 nan 8.290 nan 0.000 0.484 231 P HA -0.046 nan 4.420 nan 0.000 0.220 231 P C 1.489 178.689 177.300 -0.167 0.000 1.144 231 P CA 1.339 64.321 63.100 -0.196 0.000 0.800 231 P CB 0.197 31.797 31.700 -0.167 0.000 0.772 232 K N -2.119 118.116 120.400 -0.275 0.000 2.067 232 K HA 0.005 4.330 4.320 0.009 0.000 0.203 232 K C 0.413 177.073 176.600 0.100 0.000 1.048 232 K CA 0.757 56.968 56.287 -0.127 0.000 0.954 232 K CB 0.019 32.407 32.500 -0.186 0.000 0.737 232 K HN 0.230 nan 8.250 nan 0.000 0.444 233 W N 1.035 122.308 121.300 -0.045 0.000 2.839 233 W HA 0.285 4.949 4.660 0.008 0.000 0.334 233 W C -2.620 173.878 176.519 -0.034 0.000 1.064 233 W CA -2.836 54.488 57.345 -0.035 0.000 1.236 233 W CB 0.092 29.541 29.460 -0.018 0.000 1.405 233 W HN -0.171 nan 8.180 nan 0.000 0.478 234 P HA -0.069 nan 4.420 nan 0.000 0.230 234 P C 0.466 177.848 177.300 0.136 0.000 1.168 234 P CA 0.910 64.068 63.100 0.096 0.000 0.793 234 P CB 0.905 32.643 31.700 0.063 0.000 0.851 235 S N -1.134 114.661 115.700 0.157 0.000 2.667 235 S HA 0.587 5.062 4.470 0.009 0.000 0.292 235 S C -1.049 173.667 174.600 0.193 0.000 1.126 235 S CA -0.654 57.630 58.200 0.139 0.000 0.881 235 S CB 2.093 65.287 63.200 -0.011 0.000 1.132 235 S HN 0.179 nan 8.310 nan 0.000 0.492 236 H N -0.268 118.812 119.070 0.016 0.000 3.140 236 H HA 0.232 4.793 4.556 0.008 0.000 0.336 236 H C -1.990 173.375 175.328 0.061 0.000 1.142 236 H CA -0.415 55.642 56.048 0.014 0.000 1.308 236 H CB 1.075 30.949 29.762 0.187 0.000 1.970 236 H HN 0.817 nan 8.280 nan 0.000 0.521 237 Y N 4.186 124.307 120.300 -0.300 0.000 2.319 237 Y HA 0.209 4.764 4.550 0.009 0.000 0.328 237 Y C 0.643 176.551 175.900 0.014 0.000 1.133 237 Y CA -0.616 57.416 58.100 -0.114 0.000 1.265 237 Y CB 1.067 39.427 38.460 -0.166 0.000 1.218 237 Y HN 0.246 nan 8.280 nan 0.000 0.508 238 L N 4.522 125.925 121.223 0.301 0.000 2.343 238 L HA 0.375 4.721 4.340 0.009 0.000 0.275 238 L C -0.281 176.646 176.870 0.095 0.000 1.056 238 L CA -0.939 54.056 54.840 0.258 0.000 0.804 238 L CB 0.886 43.103 42.059 0.263 0.000 1.203 238 L HN 0.532 nan 8.230 nan 0.000 0.440 239 M N 3.995 123.640 119.600 0.075 0.000 2.289 239 M HA 0.341 4.827 4.480 0.009 0.000 0.354 239 M C -0.835 175.395 176.300 -0.117 0.000 1.210 239 M CA -0.299 54.987 55.300 -0.023 0.000 1.174 239 M CB 0.486 33.096 32.600 0.018 0.000 1.297 239 M HN 0.194 nan 8.290 nan 0.000 0.423 240 V N 5.653 125.393 119.914 -0.290 0.000 2.495 240 V HA 0.550 4.676 4.120 0.009 0.000 0.298 240 V C -1.980 173.797 176.094 -0.528 0.000 1.031 240 V CA -1.327 60.696 62.300 -0.462 0.000 0.871 240 V CB 2.074 33.537 31.823 -0.601 0.000 0.988 240 V HN 0.558 nan 8.190 nan 0.000 0.432 241 P HA 0.310 nan 4.420 nan 0.000 0.281 241 P C 0.157 177.546 177.300 0.149 0.000 1.249 241 P CA -0.012 63.010 63.100 -0.130 0.000 0.810 241 P CB 1.378 32.952 31.700 -0.209 0.000 1.008 242 G N 0.262 109.258 108.800 0.327 0.000 2.636 242 G HA2 0.448 4.413 3.960 0.009 0.000 0.246 242 G HA3 0.448 4.413 3.960 0.009 0.000 0.246 242 G C 0.417 175.444 174.900 0.211 0.000 1.216 242 G CA 0.350 45.680 45.100 0.383 0.000 0.854 242 G HN 0.870 nan 8.290 nan 0.000 0.572 243 G N 0.017 108.918 108.800 0.167 0.000 2.508 243 G HA2 0.117 4.082 3.960 0.009 0.000 0.220 243 G HA3 0.117 4.082 3.960 0.009 0.000 0.220 243 G C -0.102 174.872 174.900 0.123 0.000 1.287 243 G CA 0.261 45.425 45.100 0.107 0.000 0.916 243 G HN 1.482 nan 8.290 nan 0.000 0.574 244 K N -0.194 120.270 120.400 0.107 0.000 2.201 244 K HA 0.810 5.135 4.320 0.009 0.000 0.278 244 K C -0.339 176.372 176.600 0.185 0.000 1.027 244 K CA -0.341 56.014 56.287 0.112 0.000 0.909 244 K CB 1.625 34.164 32.500 0.064 0.000 1.062 244 K HN 1.367 nan 8.250 nan 0.000 0.465 245 H N 0.962 120.064 119.070 0.054 0.000 2.967 245 H HA 0.499 5.058 4.556 0.006 0.000 0.318 245 H C -2.034 173.319 175.328 0.041 0.000 1.375 245 H CA -0.738 55.336 56.048 0.044 0.000 1.132 245 H CB 1.455 31.247 29.762 0.050 0.000 1.848 245 H HN 0.939 nan 8.280 nan 0.000 0.524 246 N N 1.634 119.864 118.700 -0.783 0.000 2.666 246 N HA 0.290 5.035 4.740 0.009 0.000 0.260 246 N C -1.459 173.706 175.510 -0.575 0.000 1.077 246 N CA -0.712 52.065 53.050 -0.455 0.000 1.026 246 N CB 0.947 39.329 38.487 -0.174 0.000 1.653 246 N HN 0.675 nan 8.380 nan 0.000 0.533 247 M N -0.684 118.714 119.600 -0.337 0.000 2.598 247 M HA 0.690 5.175 4.480 0.009 0.000 0.317 247 M C -1.361 174.725 176.300 -0.356 0.000 1.201 247 M CA -0.595 54.514 55.300 -0.319 0.000 0.971 247 M CB 1.417 33.858 32.600 -0.264 0.000 1.657 247 M HN 0.215 nan 8.290 nan 0.000 0.470 248 D N 1.818 121.966 120.400 -0.421 0.000 2.192 248 D HA 0.600 5.245 4.640 0.009 0.000 0.246 248 D C -1.429 174.511 176.300 -0.599 0.000 1.042 248 D CA 0.116 53.879 54.000 -0.395 0.000 0.847 248 D CB 1.375 42.040 40.800 -0.225 0.000 1.186 248 D HN 0.439 nan 8.370 nan 0.000 0.461 249 F N 1.025 120.798 119.950 -0.294 0.000 2.522 249 F HA 0.454 4.988 4.527 0.012 0.000 0.324 249 F C -0.402 175.091 175.800 -0.512 0.000 1.077 249 F CA -0.950 56.922 58.000 -0.214 0.000 0.944 249 F CB 1.366 40.312 39.000 -0.090 0.000 1.175 249 F HN 0.158 nan 8.300 nan 0.000 0.468 250 Y N 1.298 121.748 120.300 0.249 0.000 2.331 250 Y HA 0.653 5.208 4.550 0.007 0.000 0.334 250 Y C -0.585 175.411 175.900 0.159 0.000 0.960 250 Y CA -1.076 57.107 58.100 0.139 0.000 1.130 250 Y CB 1.862 40.360 38.460 0.063 0.000 1.164 250 Y HN 0.241 nan 8.280 nan 0.000 0.458 251 V N 3.095 123.061 119.914 0.088 0.000 2.715 251 V HA 0.630 4.755 4.120 0.009 0.000 0.310 251 V C -0.726 175.344 176.094 -0.041 0.000 1.054 251 V CA -1.078 61.192 62.300 -0.051 0.000 0.928 251 V CB 1.909 33.488 31.823 -0.406 0.000 1.007 251 V HN 0.806 nan 8.190 nan 0.000 0.437 252 E N 2.234 122.418 120.200 -0.027 0.000 2.383 252 E HA 0.839 5.194 4.350 0.009 0.000 0.275 252 E C -0.964 175.595 176.600 -0.069 0.000 0.918 252 E CA -1.022 55.369 56.400 -0.014 0.000 0.764 252 E CB 2.313 32.054 29.700 0.068 0.000 1.252 252 E HN 0.809 nan 8.360 nan 0.000 0.449 253 A N 2.182 124.958 122.820 -0.074 0.000 2.303 253 A HA 0.528 4.853 4.320 0.009 0.000 0.317 253 A C 0.210 177.732 177.584 -0.102 0.000 1.149 253 A CA -0.835 51.150 52.037 -0.087 0.000 0.822 253 A CB 0.256 19.214 19.000 -0.071 0.000 1.131 253 A HN 0.703 nan 8.150 nan 0.000 0.493 254 L N 0.773 121.930 121.223 -0.110 0.000 2.857 254 L HA 0.501 4.846 4.340 0.009 0.000 0.249 254 L C 0.534 177.349 176.870 -0.092 0.000 1.172 254 L CA 0.455 55.234 54.840 -0.102 0.000 0.980 254 L CB -0.107 41.889 42.059 -0.106 0.000 1.299 254 L HN 0.761 nan 8.230 nan 0.000 0.535 255 A N -0.461 122.309 122.820 -0.084 0.000 2.577 255 A HA 0.657 4.982 4.320 0.009 0.000 0.297 255 A C -1.215 176.488 177.584 0.198 0.000 1.060 255 A CA -0.475 51.587 52.037 0.042 0.000 0.697 255 A CB 0.866 19.842 19.000 -0.040 0.000 1.281 255 A HN -0.034 nan 8.150 nan 0.000 0.402 256 F N 1.255 121.367 119.950 0.270 0.000 2.378 256 F HA 0.511 5.043 4.527 0.009 0.000 0.319 256 F C -1.775 174.217 175.800 0.320 0.000 1.155 256 F CA -1.569 56.592 58.000 0.268 0.000 1.157 256 F CB 0.464 39.665 39.000 0.335 0.000 1.252 256 F HN 0.282 nan 8.300 nan 0.000 0.550 257 P HA 0.069 nan 4.420 nan 0.000 0.268 257 P C -1.056 176.351 177.300 0.179 0.000 1.208 257 P CA 0.426 63.488 63.100 -0.063 0.000 0.777 257 P CB 0.549 32.121 31.700 -0.214 0.000 0.875 258 D N -0.724 119.788 120.400 0.188 0.000 2.692 258 D HA 0.088 4.734 4.640 0.009 0.000 0.290 258 D C 0.904 177.309 176.300 0.174 0.000 1.281 258 D CA -0.313 53.841 54.000 0.256 0.000 0.804 258 D CB 0.896 41.914 40.800 0.364 0.000 1.331 258 D HN 0.095 nan 8.370 nan 0.000 0.432 259 T N -0.044 114.606 114.554 0.159 0.000 2.718 259 T HA -0.211 4.144 4.350 0.009 0.000 0.266 259 T C 0.786 175.556 174.700 0.117 0.000 1.033 259 T CA 2.196 64.364 62.100 0.113 0.000 1.151 259 T CB -0.243 68.685 68.868 0.101 0.000 0.853 259 T HN 0.444 nan 8.240 nan 0.000 0.466 260 D N -0.821 119.672 120.400 0.154 0.000 2.593 260 D HA 0.161 4.806 4.640 0.009 0.000 0.241 260 D C -0.432 176.023 176.300 0.259 0.000 1.257 260 D CA -0.588 53.506 54.000 0.157 0.000 0.828 260 D CB -0.364 40.507 40.800 0.118 0.000 1.049 260 D HN 0.309 nan 8.370 nan 0.000 0.490 261 F N 0.797 120.779 119.950 0.053 0.000 3.228 261 F HA 0.376 4.908 4.527 0.008 0.000 0.390 261 F C -2.374 173.450 175.800 0.039 0.000 1.235 261 F CA -2.471 55.556 58.000 0.043 0.000 1.236 261 F CB 1.667 40.697 39.000 0.050 0.000 1.855 261 F HN -0.305 nan 8.300 nan 0.000 0.647 262 P HA 0.017 nan 4.420 nan 0.000 0.217 262 P C 1.048 178.069 177.300 -0.465 0.000 1.148 262 P CA 3.143 66.139 63.100 -0.174 0.000 0.834 262 P CB 0.218 31.891 31.700 -0.044 0.000 0.783 263 G N -3.755 104.426 108.800 -1.032 0.000 2.205 263 G HA2 -0.150 3.815 3.960 0.009 0.000 0.180 263 G HA3 -0.150 3.815 3.960 0.009 0.000 0.180 263 G C -0.128 174.380 174.900 -0.654 0.000 1.004 263 G CA -0.501 43.843 45.100 -1.260 0.000 0.670 263 G HN 0.220 nan 8.290 nan 0.000 0.496 264 L N 1.069 122.108 121.223 -0.306 0.000 2.322 264 L HA 0.773 5.119 4.340 0.009 0.000 0.279 264 L C 0.240 177.197 176.870 0.146 0.000 1.036 264 L CA -0.985 53.802 54.840 -0.088 0.000 0.807 264 L CB 1.671 43.696 42.059 -0.058 0.000 1.226 264 L HN 0.030 nan 8.230 nan 0.000 0.433 265 I N 1.440 122.102 120.570 0.152 0.000 2.499 265 I HA 0.299 4.474 4.170 0.009 0.000 0.288 265 I C -0.595 175.626 176.117 0.172 0.000 1.048 265 I CA -0.232 61.175 61.300 0.177 0.000 1.062 265 I CB 2.355 40.451 38.000 0.160 0.000 1.238 265 I HN 0.526 nan 8.210 nan 0.000 0.426 266 T N 7.078 121.703 114.554 0.118 0.000 2.797 266 T HA 0.596 4.951 4.350 0.009 0.000 0.279 266 T C -0.318 174.412 174.700 0.050 0.000 0.991 266 T CA -0.446 61.708 62.100 0.091 0.000 0.979 266 T CB 1.130 70.029 68.868 0.052 0.000 0.943 266 T HN 0.265 nan 8.240 nan 0.000 0.444 267 L N 3.336 124.589 121.223 0.049 0.000 2.305 267 L HA 0.525 4.871 4.340 0.009 0.000 0.284 267 L C 0.162 176.940 176.870 -0.152 0.000 1.013 267 L CA -0.695 54.119 54.840 -0.043 0.000 0.819 267 L CB 1.648 43.728 42.059 0.036 0.000 1.227 267 L HN 0.595 nan 8.230 nan 0.000 0.417 268 T N 3.344 117.694 114.554 -0.340 0.000 2.856 268 T HA 0.558 4.913 4.350 0.009 0.000 0.283 268 T C -0.637 173.729 174.700 -0.557 0.000 1.008 268 T CA -0.398 61.427 62.100 -0.458 0.000 0.997 268 T CB 2.403 70.953 68.868 -0.531 0.000 0.992 268 T HN 0.263 nan 8.240 nan 0.000 0.454 269 I N 1.851 122.247 120.570 -0.291 0.000 2.460 269 I HA 0.637 4.813 4.170 0.009 0.000 0.298 269 I C -0.546 175.549 176.117 -0.037 0.000 0.989 269 I CA 0.005 61.232 61.300 -0.121 0.000 1.173 269 I CB 1.651 39.634 38.000 -0.029 0.000 1.338 269 I HN 0.541 nan 8.210 nan 0.000 0.456 270 S N 6.654 122.439 115.700 0.142 0.000 2.526 270 S HA 0.633 5.108 4.470 0.009 0.000 0.293 270 S C -1.320 173.418 174.600 0.231 0.000 1.092 270 S CA -0.478 57.825 58.200 0.171 0.000 0.980 270 S CB 1.664 65.026 63.200 0.270 0.000 1.048 270 S HN 0.590 nan 8.310 nan 0.000 0.483 271 L N 4.355 125.732 121.223 0.257 0.000 2.277 271 L HA 0.568 4.913 4.340 0.009 0.000 0.284 271 L C -1.348 175.690 176.870 0.280 0.000 1.028 271 L CA -0.221 54.826 54.840 0.345 0.000 0.835 271 L CB 0.047 42.389 42.059 0.470 0.000 1.215 271 L HN 0.571 nan 8.230 nan 0.000 0.425 272 L N 3.476 124.850 121.223 0.252 0.000 2.325 272 L HA 0.468 4.813 4.340 0.009 0.000 0.279 272 L C -0.377 176.607 176.870 0.191 0.000 1.054 272 L CA -0.718 54.234 54.840 0.187 0.000 0.804 272 L CB 1.460 43.601 42.059 0.136 0.000 1.200 272 L HN 0.519 nan 8.230 nan 0.000 0.436 273 D N 1.350 121.832 120.400 0.135 0.000 2.233 273 D HA 0.344 4.990 4.640 0.009 0.000 0.240 273 D C -0.353 175.886 176.300 -0.101 0.000 1.074 273 D CA -0.223 53.783 54.000 0.010 0.000 0.838 273 D CB 1.456 42.296 40.800 0.066 0.000 1.124 273 D HN 0.572 nan 8.370 nan 0.000 0.475 274 T N 0.104 114.520 114.554 -0.230 0.000 3.839 274 T HA 0.207 4.563 4.350 0.009 0.000 0.230 274 T C 0.767 175.336 174.700 -0.218 0.000 1.095 274 T CA -0.390 61.606 62.100 -0.174 0.000 1.470 274 T CB -0.334 68.444 68.868 -0.149 0.000 0.881 274 T HN 0.204 nan 8.240 nan 0.000 0.637 275 S N 0.462 116.026 115.700 -0.227 0.000 2.492 275 S HA 0.174 4.649 4.470 0.009 0.000 0.218 275 S C 0.379 174.897 174.600 -0.137 0.000 1.016 275 S CA -0.275 57.798 58.200 -0.212 0.000 0.916 275 S CB -0.373 62.684 63.200 -0.237 0.000 0.791 275 S HN 0.456 nan 8.310 nan 0.000 0.513 276 N N 1.607 120.242 118.700 -0.107 0.000 2.485 276 N HA 0.496 5.241 4.740 0.009 0.000 0.243 276 N C 0.089 175.557 175.510 -0.069 0.000 0.987 276 N CA -0.349 52.655 53.050 -0.077 0.000 0.940 276 N CB 1.266 39.718 38.487 -0.057 0.000 1.122 276 N HN 0.028 nan 8.380 nan 0.000 0.509 277 L N 1.004 122.187 121.223 -0.067 0.000 2.187 277 L HA -0.132 4.213 4.340 0.009 0.000 0.213 277 L C 2.159 179.002 176.870 -0.045 0.000 1.100 277 L CA 1.411 56.215 54.840 -0.059 0.000 0.765 277 L CB -0.256 41.770 42.059 -0.055 0.000 0.904 277 L HN 0.570 nan 8.230 nan 0.000 0.437 278 E N 0.022 120.197 120.200 -0.040 0.000 2.021 278 E HA 0.054 4.410 4.350 0.009 0.000 0.189 278 E C 1.036 177.620 176.600 -0.027 0.000 0.980 278 E CA 0.368 56.749 56.400 -0.031 0.000 0.803 278 E CB -0.222 29.462 29.700 -0.028 0.000 0.766 278 E HN 0.341 nan 8.360 nan 0.000 0.449 279 L N 2.919 124.126 121.223 -0.027 0.000 2.473 279 L HA 0.117 4.462 4.340 0.009 0.000 0.268 279 L C -1.668 175.189 176.870 -0.021 0.000 1.215 279 L CA -1.446 53.381 54.840 -0.021 0.000 0.823 279 L CB -0.571 41.477 42.059 -0.019 0.000 1.099 279 L HN 0.049 nan 8.230 nan 0.000 0.483 280 P HA 0.102 nan 4.420 nan 0.000 0.277 280 P C -1.068 176.228 177.300 -0.007 0.000 1.271 280 P CA -0.704 62.392 63.100 -0.008 0.000 0.795 280 P CB 0.379 32.078 31.700 -0.000 0.000 1.101 281 E N -0.258 119.942 120.200 0.001 0.000 2.392 281 E HA 0.377 4.732 4.350 0.009 0.000 0.264 281 E C -0.671 175.944 176.600 0.024 0.000 1.024 281 E CA -0.737 55.667 56.400 0.007 0.000 0.903 281 E CB 0.286 30.000 29.700 0.023 0.000 0.963 281 E HN 0.421 nan 8.360 nan 0.000 0.432 282 A N 3.731 126.571 122.820 0.033 0.000 2.303 282 A HA 0.377 4.702 4.320 0.009 0.000 0.320 282 A C -0.326 177.307 177.584 0.081 0.000 1.192 282 A CA -0.893 51.173 52.037 0.049 0.000 0.821 282 A CB 1.333 20.361 19.000 0.046 0.000 1.188 282 A HN 0.486 nan 8.150 nan 0.000 0.492 283 V N 3.562 123.523 119.914 0.078 0.000 2.521 283 V HA 0.053 4.178 4.120 0.009 0.000 0.286 283 V C 1.016 177.186 176.094 0.127 0.000 1.034 283 V CA 0.376 62.737 62.300 0.102 0.000 1.045 283 V CB 1.143 33.010 31.823 0.073 0.000 0.974 283 V HN 0.727 nan 8.190 nan 0.000 0.480 284 V N 5.407 125.428 119.914 0.179 0.000 3.523 284 V HA 0.353 4.478 4.120 0.009 0.000 0.255 284 V C 0.042 176.313 176.094 0.294 0.000 1.226 284 V CA 0.454 62.879 62.300 0.210 0.000 1.092 284 V CB 0.106 32.067 31.823 0.229 0.000 0.817 284 V HN 0.763 nan 8.190 nan 0.000 0.458 285 F N 0.069 120.078 119.950 0.098 0.000 2.704 285 F HA 0.555 5.087 4.527 0.008 0.000 0.312 285 F C -1.685 174.174 175.800 0.099 0.000 1.108 285 F CA -0.520 57.532 58.000 0.085 0.000 1.005 285 F CB 1.123 40.167 39.000 0.074 0.000 1.277 285 F HN -0.095 nan 8.300 nan 0.000 0.445 286 Q N 3.630 122.871 119.800 -0.932 0.000 2.421 286 Q HA 0.516 4.861 4.340 0.009 0.000 0.280 286 Q C -2.099 173.299 176.000 -1.003 0.000 1.085 286 Q CA -1.105 54.218 55.803 -0.800 0.000 0.807 286 Q CB 3.037 31.616 28.738 -0.264 0.000 1.405 286 Q HN 0.700 nan 8.270 nan 0.000 0.419 287 D N -0.198 119.818 120.400 -0.640 0.000 2.622 287 D HA 0.614 5.259 4.640 0.009 0.000 0.255 287 D C -1.536 174.651 176.300 -0.188 0.000 1.246 287 D CA -0.128 53.678 54.000 -0.323 0.000 0.795 287 D CB 2.039 42.757 40.800 -0.136 0.000 1.369 287 D HN 0.587 nan 8.370 nan 0.000 0.425 288 S N -0.824 114.807 115.700 -0.115 0.000 2.727 288 S HA 0.802 5.277 4.470 0.009 0.000 0.278 288 S C -1.040 173.501 174.600 -0.098 0.000 1.186 288 S CA -0.433 57.701 58.200 -0.110 0.000 0.836 288 S CB 0.827 63.959 63.200 -0.112 0.000 1.186 288 S HN 1.080 nan 8.310 nan 0.000 0.499 289 V N -2.109 117.738 119.914 -0.112 0.000 3.007 289 V HA 0.951 5.076 4.120 0.009 0.000 0.311 289 V C -1.303 174.689 176.094 -0.170 0.000 1.120 289 V CA -0.868 61.312 62.300 -0.200 0.000 0.980 289 V CB 1.517 33.138 31.823 -0.338 0.000 1.033 289 V HN 0.927 nan 8.190 nan 0.000 0.429 290 V N 3.260 123.055 119.914 -0.198 0.000 2.376 290 V HA 0.558 4.683 4.120 0.009 0.000 0.287 290 V C -0.688 175.395 176.094 -0.019 0.000 1.015 290 V CA -0.139 62.145 62.300 -0.026 0.000 0.834 290 V CB 0.973 32.843 31.823 0.077 0.000 1.001 290 V HN 0.756 nan 8.190 nan 0.000 0.428 291 F N 3.296 123.278 119.950 0.052 0.000 2.377 291 F HA 0.672 5.204 4.527 0.008 0.000 0.328 291 F C 0.572 176.285 175.800 -0.144 0.000 1.094 291 F CA -0.544 57.473 58.000 0.028 0.000 1.093 291 F CB 1.149 40.154 39.000 0.009 0.000 1.214 291 F HN 0.335 nan 8.300 nan 0.000 0.518 292 R N 1.292 121.735 120.500 -0.095 0.000 2.534 292 R HA 0.622 4.967 4.340 0.009 0.000 0.301 292 R C -1.839 174.365 176.300 -0.161 0.000 0.961 292 R CA -0.666 55.154 56.100 -0.466 0.000 0.871 292 R CB 1.526 30.966 30.300 -1.433 0.000 1.170 292 R HN 0.547 nan 8.270 nan 0.000 0.446 293 V N 4.139 123.947 119.914 -0.176 0.000 2.479 293 V HA 0.182 4.307 4.120 0.009 0.000 0.281 293 V C 0.718 176.706 176.094 -0.176 0.000 1.031 293 V CA -0.265 61.972 62.300 -0.105 0.000 1.038 293 V CB 0.827 32.613 31.823 -0.062 0.000 0.981 293 V HN 0.940 nan 8.190 nan 0.000 0.478 294 A N 9.486 132.256 122.820 -0.084 0.000 2.546 294 A HA 0.356 4.681 4.320 0.009 0.000 0.243 294 A C -1.508 175.899 177.584 -0.296 0.000 1.063 294 A CA -0.591 51.311 52.037 -0.224 0.000 0.757 294 A CB -0.343 18.702 19.000 0.075 0.000 0.991 294 A HN 0.710 nan 8.150 nan 0.000 0.503 295 P HA 0.124 nan 4.420 nan 0.000 0.274 295 P C -0.770 176.476 177.300 -0.089 0.000 1.256 295 P CA -0.419 62.508 63.100 -0.289 0.000 0.795 295 P CB 0.539 31.958 31.700 -0.469 0.000 1.038 296 W N 1.990 123.153 121.300 -0.228 0.000 2.335 296 W HA 0.502 5.167 4.660 0.008 0.000 0.307 296 W C -1.027 175.288 176.519 -0.341 0.000 1.117 296 W CA -0.284 56.899 57.345 -0.271 0.000 1.228 296 W CB 0.157 29.339 29.460 -0.464 0.000 1.240 296 W HN 0.136 nan 8.180 nan 0.000 0.468 297 I N 8.057 128.013 120.570 -1.022 0.000 2.404 297 I HA 0.285 4.460 4.170 0.009 0.000 0.293 297 I C 0.279 175.717 176.117 -1.132 0.000 0.992 297 I CA -1.072 59.621 61.300 -1.011 0.000 1.149 297 I CB 1.691 39.033 38.000 -1.097 0.000 1.315 297 I HN 0.344 nan 8.210 nan 0.000 0.446 298 M N 3.848 123.007 119.600 -0.736 0.000 2.288 298 M HA 0.253 4.738 4.480 0.009 0.000 0.334 298 M C -0.055 176.187 176.300 -0.096 0.000 1.150 298 M CA 0.103 55.114 55.300 -0.481 0.000 1.118 298 M CB 1.411 33.850 32.600 -0.269 0.000 1.501 298 M HN 0.506 nan 8.290 nan 0.000 0.462 299 T N 5.166 119.700 114.554 -0.033 0.000 2.791 299 T HA 0.547 4.902 4.350 0.009 0.000 0.288 299 T C -2.494 172.193 174.700 -0.022 0.000 0.999 299 T CA -1.688 60.417 62.100 0.009 0.000 0.952 299 T CB 0.873 69.728 68.868 -0.021 0.000 0.938 299 T HN 0.432 nan 8.240 nan 0.000 0.444 300 P HA 0.209 nan 4.420 nan 0.000 0.272 300 P C 0.531 177.795 177.300 -0.061 0.000 1.223 300 P CA -0.398 62.670 63.100 -0.054 0.000 0.784 300 P CB 0.800 32.457 31.700 -0.071 0.000 0.923 301 N N 0.721 119.412 118.700 -0.016 0.000 2.258 301 N HA -0.130 4.615 4.740 0.009 0.000 0.187 301 N C 1.560 177.076 175.510 0.009 0.000 1.012 301 N CA 1.917 54.981 53.050 0.024 0.000 0.870 301 N CB -1.018 37.524 38.487 0.091 0.000 0.977 301 N HN 0.593 nan 8.380 nan 0.000 0.434 302 T N -2.023 112.524 114.554 -0.011 0.000 3.051 302 T HA -0.021 4.334 4.350 0.009 0.000 0.269 302 T C 0.831 175.507 174.700 -0.039 0.000 1.127 302 T CA 0.478 62.585 62.100 0.011 0.000 1.107 302 T CB 0.111 69.000 68.868 0.035 0.000 0.898 302 T HN -0.013 nan 8.240 nan 0.000 0.517 303 Q N 2.214 121.946 119.800 -0.114 0.000 2.293 303 Q HA 0.344 4.689 4.340 0.009 0.000 0.251 303 Q C -2.642 173.289 176.000 -0.114 0.000 0.930 303 Q CA -2.644 53.048 55.803 -0.185 0.000 0.893 303 Q CB 0.986 29.517 28.738 -0.343 0.000 1.215 303 Q HN 0.207 nan 8.270 nan 0.000 0.425 304 P HA 0.010 nan 4.420 nan 0.000 0.261 304 P C -2.346 174.910 177.300 -0.075 0.000 1.183 304 P CA -0.593 62.461 63.100 -0.078 0.000 0.761 304 P CB 0.015 31.669 31.700 -0.076 0.000 0.785 305 P HA 0.099 nan 4.420 nan 0.000 0.276 305 P C -0.109 177.164 177.300 -0.045 0.000 1.235 305 P CA 0.182 63.257 63.100 -0.042 0.000 0.772 305 P CB 1.247 32.926 31.700 -0.035 0.000 0.871 306 Q N 1.216 121.000 119.800 -0.027 0.000 2.394 306 Q HA 0.121 4.466 4.340 0.009 0.000 0.218 306 Q C 0.394 176.377 176.000 -0.027 0.000 0.907 306 Q CA 0.567 56.355 55.803 -0.025 0.000 0.919 306 Q CB 0.870 29.600 28.738 -0.012 0.000 1.051 306 Q HN 0.596 nan 8.270 nan 0.000 0.538 307 E N -0.252 119.936 120.200 -0.021 0.000 2.400 307 E HA 0.330 4.685 4.350 0.009 0.000 0.285 307 E C -1.838 174.665 176.600 -0.161 0.000 1.005 307 E CA -0.414 55.909 56.400 -0.128 0.000 0.816 307 E CB 2.009 31.618 29.700 -0.151 0.000 1.220 307 E HN -0.134 nan 8.360 nan 0.000 0.426 308 V N 3.418 123.164 119.914 -0.279 0.000 2.628 308 V HA 0.517 4.643 4.120 0.009 0.000 0.306 308 V C -1.190 174.685 176.094 -0.366 0.000 1.045 308 V CA -0.600 61.603 62.300 -0.162 0.000 0.905 308 V CB 1.331 33.114 31.823 -0.066 0.000 0.997 308 V HN 0.568 nan 8.190 nan 0.000 0.436 309 Y N 1.846 122.160 120.300 0.025 0.000 2.376 309 Y HA 0.793 5.348 4.550 0.009 0.000 0.340 309 Y C 0.296 176.203 175.900 0.012 0.000 0.965 309 Y CA -0.596 57.511 58.100 0.011 0.000 1.078 309 Y CB 2.073 40.535 38.460 0.003 0.000 1.193 309 Y HN 0.758 nan 8.280 nan 0.000 0.452 310 A N 1.787 124.680 122.820 0.122 0.000 2.401 310 A HA 0.792 5.117 4.320 0.009 0.000 0.310 310 A C -0.078 177.547 177.584 0.069 0.000 1.075 310 A CA -0.682 51.403 52.037 0.080 0.000 0.746 310 A CB 0.319 19.345 19.000 0.044 0.000 1.277 310 A HN 1.023 nan 8.150 nan 0.000 0.425 311 C N 0.141 119.474 119.300 0.055 0.000 2.555 311 C HA 0.913 5.378 4.460 0.009 0.000 0.364 311 C C 1.052 176.060 174.990 0.030 0.000 2.249 311 C CA 0.046 59.087 59.018 0.040 0.000 1.843 311 C CB 0.629 28.390 27.740 0.034 0.000 1.954 311 C HN 1.054 nan 8.230 nan 0.000 0.458 321 K N 0.055 120.471 120.400 0.027 0.000 2.576 321 K HA 0.327 4.653 4.320 0.009 0.000 0.209 321 K C 1.089 177.703 176.600 0.023 0.000 1.049 321 K CA -0.070 56.229 56.287 0.021 0.000 1.140 321 K CB 0.812 33.322 32.500 0.018 0.000 0.871 321 K HN 0.068 nan 8.250 nan 0.000 0.479 322 S N 0.101 115.818 115.700 0.029 0.000 2.425 322 S HA -0.087 4.388 4.470 0.009 0.000 0.225 322 S C 1.818 176.432 174.600 0.023 0.000 1.024 322 S CA 0.484 58.701 58.200 0.029 0.000 0.951 322 S CB 0.181 63.404 63.200 0.038 0.000 0.796 322 S HN 0.263 nan 8.310 nan 0.000 0.498 323 V N 1.843 121.771 119.914 0.023 0.000 2.307 323 V HA -0.141 3.984 4.120 0.009 0.000 0.245 323 V C 2.563 178.663 176.094 0.011 0.000 1.045 323 V CA 2.465 64.777 62.300 0.019 0.000 1.024 323 V CB -0.847 30.990 31.823 0.022 0.000 0.651 323 V HN 0.638 nan 8.190 nan 0.000 0.449 324 T N -1.707 112.852 114.554 0.008 0.000 2.962 324 T HA -0.154 4.202 4.350 0.009 0.000 0.270 324 T C 1.679 176.381 174.700 0.004 0.000 1.088 324 T CA 2.259 64.359 62.100 -0.000 0.000 1.127 324 T CB -0.469 68.399 68.868 -0.001 0.000 0.883 324 T HN 0.649 nan 8.240 nan 0.000 0.493 325 T N 1.859 116.421 114.554 0.012 0.000 2.937 325 T HA 0.220 4.575 4.350 0.009 0.000 0.260 325 T C 1.762 176.478 174.700 0.026 0.000 1.051 325 T CA 0.516 62.627 62.100 0.017 0.000 1.141 325 T CB -0.194 68.686 68.868 0.019 0.000 0.879 325 T HN 0.233 nan 8.240 nan 0.000 0.459 326 L N 1.308 122.547 121.223 0.027 0.000 2.179 326 L HA 0.140 4.485 4.340 0.009 0.000 0.208 326 L C 2.623 179.517 176.870 0.040 0.000 1.096 326 L CA 1.425 56.292 54.840 0.046 0.000 0.779 326 L CB -1.076 41.002 42.059 0.032 0.000 0.922 326 L HN 0.243 nan 8.230 nan 0.000 0.443 327 A N 0.139 122.964 122.820 0.010 0.000 1.940 327 A HA -0.247 4.078 4.320 0.009 0.000 0.219 327 A C 2.243 179.812 177.584 -0.025 0.000 1.176 327 A CA 1.788 53.815 52.037 -0.017 0.000 0.631 327 A CB -0.399 18.585 19.000 -0.028 0.000 0.814 327 A HN 0.456 nan 8.150 nan 0.000 0.446 328 M N -0.483 119.113 119.600 -0.006 0.000 2.065 328 M HA -0.162 4.324 4.480 0.009 0.000 0.259 328 M C 2.022 178.321 176.300 -0.001 0.000 1.071 328 M CA 1.614 56.911 55.300 -0.006 0.000 1.109 328 M CB -0.521 32.083 32.600 0.007 0.000 1.313 328 M HN 0.268 nan 8.290 nan 0.000 0.408 329 K N 0.238 120.668 120.400 0.050 0.000 2.211 329 K HA -0.099 4.226 4.320 0.009 0.000 0.204 329 K C 1.867 178.411 176.600 -0.093 0.000 1.047 329 K CA 1.477 57.838 56.287 0.123 0.000 0.935 329 K CB -0.736 31.956 32.500 0.321 0.000 0.728 329 K HN 0.375 nan 8.250 nan 0.000 0.452 330 A N 1.453 124.169 122.820 -0.172 0.000 1.969 330 A HA -0.108 4.217 4.320 0.009 0.000 0.218 330 A C 0.374 177.820 177.584 -0.231 0.000 1.169 330 A CA 0.835 52.665 52.037 -0.345 0.000 0.635 330 A CB -0.118 18.776 19.000 -0.176 0.000 0.810 330 A HN 0.334 nan 8.150 nan 0.000 0.445 331 K N -1.986 118.337 120.400 -0.129 0.000 3.203 331 K HA -0.149 4.176 4.320 0.009 0.000 0.270 331 K C -0.575 175.976 176.600 -0.081 0.000 1.132 331 K CA 0.773 57.007 56.287 -0.089 0.000 0.794 331 K CB -2.820 29.625 32.500 -0.091 0.000 1.270 331 K HN 0.862 nan 8.250 nan 0.000 0.491 332 C N 0.605 119.859 119.300 -0.077 0.000 2.701 332 C HA 0.501 4.967 4.460 0.009 0.000 0.336 332 C C 0.337 175.283 174.990 -0.073 0.000 1.123 332 C CA -1.057 57.918 59.018 -0.072 0.000 1.326 332 C CB 1.504 29.198 27.740 -0.077 0.000 1.833 332 C HN 0.599 nan 8.230 nan 0.000 0.473 333 K N 3.899 124.253 120.400 -0.077 0.000 2.508 333 K HA 0.336 4.661 4.320 0.009 0.000 0.273 333 K C -0.888 175.634 176.600 -0.130 0.000 0.964 333 K CA 0.332 56.564 56.287 -0.092 0.000 0.948 333 K CB 0.347 32.791 32.500 -0.094 0.000 0.917 333 K HN 0.740 nan 8.250 nan 0.000 0.512 334 L N 3.296 124.443 121.223 -0.127 0.000 2.455 334 L HA 0.487 4.832 4.340 0.009 0.000 0.264 334 L C -1.353 175.433 176.870 -0.141 0.000 0.968 334 L CA -0.082 54.673 54.840 -0.142 0.000 0.827 334 L CB 1.630 43.641 42.059 -0.081 0.000 1.317 334 L HN 1.112 nan 8.230 nan 0.000 0.407 335 T N 2.281 116.726 114.554 -0.182 0.000 2.903 335 T HA 0.763 5.119 4.350 0.009 0.000 0.299 335 T C -0.418 174.254 174.700 -0.046 0.000 1.093 335 T CA -0.648 61.384 62.100 -0.114 0.000 1.002 335 T CB 2.150 70.936 68.868 -0.138 0.000 1.127 335 T HN 0.399 nan 8.240 nan 0.000 0.488 336 I N 1.601 122.168 120.570 -0.005 0.000 2.603 336 I HA 0.471 4.646 4.170 0.009 0.000 0.300 336 I C 1.348 177.487 176.117 0.037 0.000 1.017 336 I CA -1.183 60.130 61.300 0.021 0.000 1.098 336 I CB 1.822 39.829 38.000 0.011 0.000 1.279 336 I HN 1.109 nan 8.210 nan 0.000 0.437 350 D N 2.552 122.973 120.400 0.034 0.000 2.870 350 D HA 0.151 4.796 4.640 0.009 0.000 0.241 350 D C -0.028 176.294 176.300 0.037 0.000 1.234 350 D CA 0.134 54.162 54.000 0.047 0.000 0.844 350 D CB 0.460 41.308 40.800 0.079 0.000 1.051 350 D HN 0.517 nan 8.370 nan 0.000 0.469 351 E N -0.219 119.973 120.200 -0.013 0.000 2.526 351 E HA 0.150 4.505 4.350 0.009 0.000 0.208 351 E C 0.051 176.515 176.600 -0.227 0.000 0.997 351 E CA 0.096 56.471 56.400 -0.041 0.000 0.961 351 E CB 0.357 30.031 29.700 -0.044 0.000 1.030 351 E HN 0.350 nan 8.360 nan 0.000 0.483 352 M N -0.974 118.469 119.600 -0.262 0.000 2.658 352 M HA 0.593 5.079 4.480 0.009 0.000 0.295 352 M C -1.006 175.145 176.300 -0.248 0.000 1.248 352 M CA -1.065 53.929 55.300 -0.509 0.000 0.843 352 M CB 1.972 34.375 32.600 -0.328 0.000 1.749 352 M HN -0.323 nan 8.290 nan 0.000 0.464 353 E N 0.862 120.944 120.200 -0.197 0.000 2.241 353 E HA 0.649 5.004 4.350 0.009 0.000 0.263 353 E C -1.926 174.865 176.600 0.318 0.000 0.882 353 E CA -0.420 56.098 56.400 0.197 0.000 0.769 353 E CB 1.314 31.339 29.700 0.542 0.000 1.185 353 E HN 0.702 nan 8.360 nan 0.000 0.415 354 I N 3.974 124.685 120.570 0.236 0.000 2.379 354 I HA 0.463 4.638 4.170 0.009 0.000 0.290 354 I C 0.940 177.180 176.117 0.205 0.000 1.063 354 I CA 0.363 61.793 61.300 0.216 0.000 1.351 354 I CB 1.180 39.268 38.000 0.147 0.000 1.410 354 I HN 0.581 nan 8.210 nan 0.000 0.505 355 G N 4.852 113.802 108.800 0.250 0.000 3.135 355 G HA2 0.741 4.706 3.960 0.009 0.000 0.159 355 G HA3 0.741 4.706 3.960 0.009 0.000 0.159 355 G C -1.382 173.502 174.900 -0.026 0.000 1.244 355 G CA -0.361 44.646 45.100 -0.156 0.000 0.965 355 G HN 0.545 nan 8.290 nan 0.000 0.599 356 Y N -1.331 118.770 120.300 -0.333 0.000 2.573 356 Y HA 0.621 5.176 4.550 0.009 0.000 0.328 356 Y C -1.177 174.688 175.900 -0.058 0.000 1.170 356 Y CA -1.897 56.125 58.100 -0.130 0.000 1.078 356 Y CB 0.446 38.840 38.460 -0.110 0.000 1.341 356 Y HN 0.797 nan 8.280 nan 0.000 0.459 357 I N 1.173 121.904 120.570 0.270 0.000 2.603 357 I HA 0.750 4.925 4.170 0.009 0.000 0.300 357 I C -1.041 175.310 176.117 0.391 0.000 1.017 357 I CA -1.043 60.396 61.300 0.232 0.000 1.098 357 I CB 2.256 40.406 38.000 0.251 0.000 1.279 357 I HN 0.841 nan 8.210 nan 0.000 0.437 358 Q N 4.002 124.078 119.800 0.460 0.000 2.305 358 Q HA 0.798 5.143 4.340 0.009 0.000 0.271 358 Q C -1.929 174.512 176.000 0.735 0.000 1.046 358 Q CA -0.816 55.339 55.803 0.587 0.000 0.798 358 Q CB 2.502 31.695 28.738 0.758 0.000 1.286 358 Q HN 1.018 nan 8.270 nan 0.000 0.435 359 A N 4.285 127.378 122.820 0.454 0.000 2.475 359 A HA 0.600 4.925 4.320 0.009 0.000 0.301 359 A C -2.478 175.239 177.584 0.222 0.000 1.059 359 A CA -1.533 50.691 52.037 0.312 0.000 0.710 359 A CB 1.470 20.496 19.000 0.044 0.000 1.288 359 A HN 0.641 nan 8.150 nan 0.000 0.408 360 P HA -0.279 nan 4.420 nan 0.000 0.220 360 P C 1.012 178.423 177.300 0.186 0.000 1.155 360 P CA 2.276 65.489 63.100 0.188 0.000 0.880 360 P CB -0.109 31.591 31.700 0.000 0.000 0.790 361 H N -2.753 116.376 119.070 0.098 0.000 2.551 361 H HA 0.253 4.814 4.556 0.009 0.000 0.266 361 H C 0.564 175.955 175.328 0.105 0.000 0.977 361 H CA 0.770 56.873 56.048 0.091 0.000 1.163 361 H CB 0.112 29.921 29.762 0.079 0.000 1.381 361 H HN 0.034 nan 8.280 nan 0.000 0.581 362 K N 0.903 121.136 120.400 -0.278 0.000 2.768 362 K HA 0.069 4.394 4.320 0.009 0.000 0.283 362 K C -1.540 175.021 176.600 -0.065 0.000 1.078 362 K CA 0.138 56.330 56.287 -0.158 0.000 0.920 362 K CB 1.749 34.147 32.500 -0.172 0.000 1.390 362 K HN 0.340 nan 8.250 nan 0.000 0.389 363 T N 1.451 116.014 114.554 0.015 0.000 2.841 363 T HA 0.703 5.059 4.350 0.009 0.000 0.283 363 T C -0.828 173.892 174.700 0.034 0.000 1.000 363 T CA -0.776 61.369 62.100 0.075 0.000 0.977 363 T CB 0.900 69.802 68.868 0.057 0.000 0.979 363 T HN 0.475 nan 8.240 nan 0.000 0.446 364 L N 4.786 126.050 121.223 0.068 0.000 2.409 364 L HA 0.615 4.960 4.340 0.009 0.000 0.272 364 L C -2.808 174.061 176.870 -0.002 0.000 0.980 364 L CA -2.564 52.286 54.840 0.018 0.000 0.826 364 L CB 2.448 44.530 42.059 0.038 0.000 1.268 364 L HN 0.476 nan 8.230 nan 0.000 0.407 365 P HA 0.125 nan 4.420 nan 0.000 0.267 365 P C -1.254 175.857 177.300 -0.314 0.000 1.205 365 P CA -0.008 62.915 63.100 -0.294 0.000 0.765 365 P CB 1.035 32.336 31.700 -0.665 0.000 0.828 366 V N 4.989 124.869 119.914 -0.057 0.000 2.588 366 V HA 0.275 4.400 4.120 0.009 0.000 0.304 366 V C 0.191 176.401 176.094 0.194 0.000 1.042 366 V CA -0.751 61.597 62.300 0.080 0.000 0.877 366 V CB 2.327 34.343 31.823 0.322 0.000 0.996 366 V HN 0.204 nan 8.190 nan 0.000 0.425 367 V N 4.835 124.771 119.914 0.036 0.000 2.644 367 V HA 0.464 4.590 4.120 0.009 0.000 0.295 367 V C -0.570 175.568 176.094 0.073 0.000 1.053 367 V CA -0.436 61.912 62.300 0.080 0.000 0.987 367 V CB 1.637 33.428 31.823 -0.053 0.000 1.006 367 V HN 0.666 nan 8.190 nan 0.000 0.472 368 F N 4.876 124.693 119.950 -0.222 0.000 2.477 368 F HA 0.651 5.184 4.527 0.009 0.000 0.335 368 F C -0.255 175.068 175.800 -0.797 0.000 1.130 368 F CA -1.730 55.957 58.000 -0.522 0.000 0.948 368 F CB 1.302 39.858 39.000 -0.741 0.000 1.154 368 F HN 0.800 nan 8.300 nan 0.000 0.439 369 D N 2.144 122.244 120.400 -0.500 0.000 2.781 369 D HA 0.779 5.424 4.640 0.009 0.000 0.295 369 D C -1.358 174.692 176.300 -0.417 0.000 1.143 369 D CA -0.555 53.043 54.000 -0.670 0.000 1.076 369 D CB 1.859 42.483 40.800 -0.294 0.000 1.444 369 D HN 0.268 nan 8.370 nan 0.000 0.567 389 F N 0.834 120.806 119.950 0.037 0.000 2.522 389 F HA 0.681 5.213 4.527 0.008 0.000 0.324 389 F C 1.072 176.845 175.800 -0.045 0.000 1.077 389 F CA -0.532 57.416 58.000 -0.087 0.000 0.944 389 F CB 2.125 40.941 39.000 -0.306 0.000 1.175 389 F HN 0.034 nan 8.300 nan 0.000 0.468 390 G N 1.112 109.920 108.800 0.013 0.000 2.441 390 G HA2 0.583 4.548 3.960 0.009 0.000 0.334 390 G HA3 0.583 4.548 3.960 0.009 0.000 0.334 390 G C -2.145 172.791 174.900 0.059 0.000 1.161 390 G CA -0.313 44.891 45.100 0.172 0.000 0.935 390 G HN 0.399 nan 8.290 nan 0.000 0.488 391 Y N -1.200 119.182 120.300 0.136 0.000 2.605 391 Y HA 0.699 5.254 4.550 0.008 0.000 0.343 391 Y C 0.056 175.982 175.900 0.043 0.000 1.036 391 Y CA -1.102 57.050 58.100 0.087 0.000 1.065 391 Y CB 2.404 40.900 38.460 0.060 0.000 1.288 391 Y HN 0.455 nan 8.280 nan 0.000 0.481 392 V N -0.321 119.676 119.914 0.140 0.000 3.147 392 V HA 0.695 4.821 4.120 0.009 0.000 0.306 392 V C -0.931 175.223 176.094 0.100 0.000 1.209 392 V CA -1.116 61.173 62.300 -0.018 0.000 1.023 392 V CB 2.225 33.729 31.823 -0.532 0.000 1.059 392 V HN 0.785 nan 8.190 nan 0.000 0.435 393 T N 1.908 116.493 114.554 0.053 0.000 3.298 393 T HA 0.380 4.736 4.350 0.009 0.000 0.318 393 T C -0.437 174.267 174.700 0.006 0.000 1.165 393 T CA -0.418 61.708 62.100 0.042 0.000 1.557 393 T CB 0.449 69.308 68.868 -0.015 0.000 0.898 393 T HN 0.628 nan 8.240 nan 0.000 0.585 394 R N 1.177 121.734 120.500 0.095 0.000 2.643 394 R HA 0.913 5.258 4.340 0.009 0.000 0.272 394 R C 0.469 176.716 176.300 -0.089 0.000 0.995 394 R CA 0.580 56.653 56.100 -0.046 0.000 1.032 394 R CB 0.917 31.124 30.300 -0.155 0.000 1.126 394 R HN 0.746 nan 8.270 nan 0.000 0.505 404 L N 0.832 122.120 121.223 0.108 0.000 2.376 404 L HA 0.048 4.393 4.340 0.009 0.000 0.219 404 L C 1.698 178.570 176.870 0.003 0.000 1.133 404 L CA 0.545 55.438 54.840 0.088 0.000 0.816 404 L CB 0.092 42.214 42.059 0.105 0.000 0.933 404 L HN 0.452 nan 8.230 nan 0.000 0.449 405 D N -0.040 120.357 120.400 -0.005 0.000 2.324 405 D HA -0.011 4.634 4.640 0.009 0.000 0.235 405 D C 0.721 176.951 176.300 -0.116 0.000 1.095 405 D CA 0.178 54.140 54.000 -0.063 0.000 0.871 405 D CB 0.275 41.062 40.800 -0.021 0.000 0.906 405 D HN 0.046 nan 8.370 nan 0.000 0.522 406 S N -1.242 114.391 115.700 -0.112 0.000 2.651 406 S HA 0.276 4.751 4.470 0.009 0.000 0.291 406 S C 0.778 175.251 174.600 -0.212 0.000 1.141 406 S CA -0.633 57.506 58.200 -0.102 0.000 1.027 406 S CB 0.535 63.699 63.200 -0.059 0.000 1.043 406 S HN 0.024 nan 8.310 nan 0.000 0.530 407 F N 1.668 121.501 119.950 -0.194 0.000 2.748 407 F HA 0.185 4.717 4.527 0.009 0.000 0.299 407 F C 2.310 178.017 175.800 -0.155 0.000 1.154 407 F CA 0.575 58.482 58.000 -0.155 0.000 1.446 407 F CB -0.104 38.816 39.000 -0.134 0.000 1.112 407 F HN 0.776 nan 8.300 nan 0.000 0.584 408 G N -0.693 108.019 108.800 -0.146 0.000 2.650 408 G HA2 -0.238 3.727 3.960 0.009 0.000 0.214 408 G HA3 -0.238 3.727 3.960 0.009 0.000 0.214 408 G C 1.159 175.745 174.900 -0.523 0.000 1.136 408 G CA 0.316 45.223 45.100 -0.320 0.000 0.789 408 G HN 0.250 nan 8.290 nan 0.000 0.536 409 N N -0.549 117.882 118.700 -0.448 0.000 2.273 409 N HA 0.205 4.950 4.740 0.009 0.000 0.231 409 N C -0.761 174.730 175.510 -0.031 0.000 1.134 409 N CA -0.387 52.537 53.050 -0.210 0.000 0.856 409 N CB 0.090 38.502 38.487 -0.125 0.000 1.068 409 N HN 0.089 nan 8.380 nan 0.000 0.510 410 L N 0.567 121.776 121.223 -0.024 0.000 2.349 410 L HA 0.572 4.917 4.340 0.009 0.000 0.278 410 L C -0.822 176.111 176.870 0.106 0.000 0.996 410 L CA -0.173 54.706 54.840 0.064 0.000 0.825 410 L CB 1.323 43.398 42.059 0.028 0.000 1.243 410 L HN -0.012 nan 8.230 nan 0.000 0.412 411 E N 3.276 123.546 120.200 0.117 0.000 2.450 411 E HA 0.775 5.130 4.350 0.009 0.000 0.272 411 E C -1.515 175.128 176.600 0.072 0.000 0.967 411 E CA -0.664 55.796 56.400 0.099 0.000 0.818 411 E CB 2.388 32.146 29.700 0.098 0.000 1.401 411 E HN 0.237 nan 8.360 nan 0.000 0.450 412 V N 0.262 120.185 119.914 0.015 0.000 2.777 412 V HA 0.345 4.471 4.120 0.009 0.000 0.306 412 V C 0.057 175.982 176.094 -0.282 0.000 1.112 412 V CA -1.104 61.150 62.300 -0.077 0.000 0.917 412 V CB 1.546 33.339 31.823 -0.050 0.000 1.018 412 V HN 0.772 nan 8.190 nan 0.000 0.426 413 S N 4.196 119.663 115.700 -0.389 0.000 2.614 413 S HA 0.631 5.106 4.470 0.009 0.000 0.265 413 S C -2.450 171.746 174.600 -0.674 0.000 1.303 413 S CA -0.928 56.779 58.200 -0.822 0.000 1.000 413 S CB 1.216 64.083 63.200 -0.555 0.000 0.935 413 S HN 0.564 nan 8.310 nan 0.000 0.551 414 P HA 0.371 nan 4.420 nan 0.000 0.274 414 P C -2.621 174.519 177.300 -0.268 0.000 1.256 414 P CA -1.522 61.278 63.100 -0.500 0.000 0.795 414 P CB -0.578 30.656 31.700 -0.776 0.000 1.038 415 P HA 0.042 nan 4.420 nan 0.000 0.265 415 P C -0.718 176.597 177.300 0.024 0.000 1.193 415 P CA 0.762 63.816 63.100 -0.077 0.000 0.765 415 P CB 0.306 31.976 31.700 -0.049 0.000 0.823 416 V N 3.238 123.169 119.914 0.028 0.000 3.087 416 V HA 0.516 4.641 4.120 0.009 0.000 0.306 416 V C -1.041 175.129 176.094 0.127 0.000 1.187 416 V CA -0.347 62.020 62.300 0.112 0.000 0.999 416 V CB 2.783 34.675 31.823 0.115 0.000 1.049 416 V HN 0.415 nan 8.190 nan 0.000 0.431 417 T N 4.073 118.693 114.554 0.111 0.000 2.797 417 T HA 0.681 5.037 4.350 0.009 0.000 0.279 417 T C -0.949 173.818 174.700 0.112 0.000 0.991 417 T CA -0.342 61.809 62.100 0.085 0.000 0.979 417 T CB 1.455 70.339 68.868 0.026 0.000 0.943 417 T HN 0.606 nan 8.240 nan 0.000 0.444 418 V N 4.881 124.878 119.914 0.139 0.000 2.380 418 V HA 0.449 4.574 4.120 0.009 0.000 0.286 418 V C 0.349 176.486 176.094 0.071 0.000 1.015 418 V CA -1.031 61.342 62.300 0.122 0.000 0.834 418 V CB 0.964 32.897 31.823 0.182 0.000 1.009 418 V HN 0.938 nan 8.190 nan 0.000 0.428 419 R N 3.699 124.222 120.500 0.039 0.000 3.322 419 R HA -0.248 4.097 4.340 0.009 0.000 0.253 419 R C 1.347 177.649 176.300 0.003 0.000 0.987 419 R CA 0.828 56.938 56.100 0.018 0.000 0.666 419 R CB -1.449 28.862 30.300 0.018 0.000 1.072 419 R HN 1.525 nan 8.270 nan 0.000 0.447 420 G N -0.508 108.289 108.800 -0.005 0.000 2.383 420 G HA2 -0.412 3.553 3.960 0.009 0.000 0.229 420 G HA3 -0.412 3.553 3.960 0.009 0.000 0.229 420 G C 0.193 175.057 174.900 -0.060 0.000 1.089 420 G CA 0.434 45.519 45.100 -0.026 0.000 0.640 420 G HN 0.416 nan 8.290 nan 0.000 0.510 421 K N 1.757 122.111 120.400 -0.076 0.000 2.350 421 K HA 0.442 4.767 4.320 0.009 0.000 0.279 421 K C -0.049 176.381 176.600 -0.283 0.000 1.027 421 K CA -0.096 56.075 56.287 -0.193 0.000 0.969 421 K CB 0.460 32.829 32.500 -0.218 0.000 0.954 421 K HN 0.386 nan 8.250 nan 0.000 0.474 422 E N 3.251 123.221 120.200 -0.383 0.000 2.216 422 E HA 0.140 4.495 4.350 0.009 0.000 0.279 422 E C -1.467 174.757 176.600 -0.626 0.000 0.997 422 E CA -0.614 55.565 56.400 -0.369 0.000 0.817 422 E CB 0.671 30.218 29.700 -0.255 0.000 1.096 422 E HN 0.509 nan 8.360 nan 0.000 0.393 423 Y N 4.691 124.868 120.300 -0.204 0.000 2.748 423 Y HA 0.235 4.790 4.550 0.009 0.000 0.359 423 Y C -1.947 173.743 175.900 -0.351 0.000 1.030 423 Y CA -1.804 56.147 58.100 -0.249 0.000 1.169 423 Y CB 1.290 39.639 38.460 -0.185 0.000 1.127 423 Y HN 0.593 nan 8.280 nan 0.000 0.644 424 P HA -0.128 nan 4.420 nan 0.000 0.220 424 P C 0.718 177.547 177.300 -0.785 0.000 1.148 424 P CA 1.465 64.155 63.100 -0.683 0.000 0.803 424 P CB 0.378 31.238 31.700 -1.400 0.000 0.782 425 L N -2.495 118.290 121.223 -0.730 0.000 2.769 425 L HA 0.428 4.773 4.340 0.009 0.000 0.240 425 L C 1.091 177.585 176.870 -0.627 0.000 1.163 425 L CA -0.175 54.006 54.840 -1.098 0.000 0.962 425 L CB -0.655 41.043 42.059 -0.601 0.000 1.258 425 L HN 0.061 nan 8.230 nan 0.000 0.513 426 G N 1.171 109.742 108.800 -0.383 0.000 2.698 426 G HA2 -0.225 3.740 3.960 0.009 0.000 0.225 426 G HA3 -0.225 3.740 3.960 0.009 0.000 0.225 426 G C -0.588 174.191 174.900 -0.202 0.000 1.345 426 G CA -0.705 44.253 45.100 -0.236 0.000 0.871 426 G HN 0.256 nan 8.290 nan 0.000 0.540 427 R N -0.612 119.749 120.500 -0.232 0.000 2.502 427 R HA 0.490 4.836 4.340 0.009 0.000 0.298 427 R C 0.454 176.667 176.300 -0.145 0.000 1.018 427 R CA -0.973 54.984 56.100 -0.237 0.000 0.899 427 R CB 0.768 30.838 30.300 -0.383 0.000 1.181 427 R HN 0.539 nan 8.270 nan 0.000 0.444 428 I N 5.004 125.532 120.570 -0.070 0.000 2.752 428 I HA -0.042 4.134 4.170 0.009 0.000 0.289 428 I C -0.235 175.911 176.117 0.049 0.000 1.197 428 I CA 0.267 61.581 61.300 0.024 0.000 1.432 428 I CB 0.012 38.074 38.000 0.103 0.000 1.359 428 I HN 0.423 nan 8.210 nan 0.000 0.571 429 L N 8.863 130.131 121.223 0.076 0.000 2.333 429 L HA 0.529 4.874 4.340 0.009 0.000 0.280 429 L C -0.403 176.564 176.870 0.161 0.000 1.004 429 L CA -0.357 54.519 54.840 0.060 0.000 0.820 429 L CB 1.259 43.354 42.059 0.061 0.000 1.247 429 L HN 0.435 nan 8.230 nan 0.000 0.416 430 F N 0.692 120.669 119.950 0.046 0.000 2.608 430 F HA 0.921 5.453 4.527 0.009 0.000 0.309 430 F C 0.001 175.855 175.800 0.089 0.000 1.103 430 F CA -1.003 57.019 58.000 0.038 0.000 0.954 430 F CB 1.362 40.365 39.000 0.004 0.000 1.267 430 F HN 0.502 nan 8.300 nan 0.000 0.444 431 G N 1.431 110.363 108.800 0.221 0.000 2.471 431 G HA2 0.636 4.601 3.960 0.009 0.000 0.332 431 G HA3 0.636 4.601 3.960 0.009 0.000 0.332 431 G C -1.569 173.486 174.900 0.258 0.000 1.176 431 G CA -0.143 45.065 45.100 0.181 0.000 0.949 431 G HN 1.057 nan 8.290 nan 0.000 0.488 432 D N -2.026 118.514 120.400 0.233 0.000 3.831 432 D HA 0.343 4.989 4.640 0.009 0.000 0.327 432 D C -0.036 176.441 176.300 0.294 0.000 1.505 432 D CA -0.010 54.130 54.000 0.234 0.000 0.976 432 D CB 0.302 41.242 40.800 0.234 0.000 1.421 432 D HN 0.634 nan 8.370 nan 0.000 0.624 433 S N -1.253 114.566 115.700 0.199 0.000 2.690 433 S HA 0.430 4.906 4.470 0.009 0.000 0.291 433 S C 1.088 175.652 174.600 -0.060 0.000 1.138 433 S CA -0.513 57.776 58.200 0.149 0.000 1.013 433 S CB 1.205 64.410 63.200 0.007 0.000 1.053 433 S HN 0.658 nan 8.310 nan 0.000 0.539 434 C N 0.295 119.352 119.300 -0.405 0.000 2.435 434 C HA 0.180 4.645 4.460 0.009 0.000 0.279 434 C C 0.487 175.431 174.990 -0.078 0.000 1.321 434 C CA 0.395 59.171 59.018 -0.403 0.000 1.752 434 C CB -1.770 25.498 27.740 -0.786 0.000 1.959 434 C HN 0.870 nan 8.230 nan 0.000 0.500 435 Y N -1.682 118.533 120.300 -0.143 0.000 2.592 435 Y HA 0.589 5.144 4.550 0.009 0.000 0.334 435 Y C -3.181 172.696 175.900 -0.038 0.000 1.136 435 Y CA -3.222 54.832 58.100 -0.076 0.000 1.042 435 Y CB -0.215 38.190 38.460 -0.092 0.000 1.325 435 Y HN -0.214 nan 8.280 nan 0.000 0.457 436 P HA 0.318 nan 4.420 nan 0.000 0.271 436 P C -0.743 176.616 177.300 0.097 0.000 1.226 436 P CA 0.288 63.430 63.100 0.070 0.000 0.765 436 P CB 1.723 33.477 31.700 0.090 0.000 0.835 437 S N 2.128 117.807 115.700 -0.034 0.000 2.841 437 S HA 0.307 4.782 4.470 0.009 0.000 0.318 437 S C 1.250 175.844 174.600 -0.011 0.000 1.127 437 S CA -0.766 57.430 58.200 -0.008 0.000 0.883 437 S CB 0.948 64.074 63.200 -0.123 0.000 1.271 437 S HN 0.422 nan 8.310 nan 0.000 0.567 438 N N 1.167 119.860 118.700 -0.012 0.000 2.300 438 N HA -0.034 4.711 4.740 0.009 0.000 0.179 438 N C -0.364 175.115 175.510 -0.051 0.000 1.016 438 N CA 1.166 54.203 53.050 -0.023 0.000 0.876 438 N CB -0.192 38.282 38.487 -0.021 0.000 0.979 438 N HN 0.541 nan 8.380 nan 0.000 0.432 439 D N -0.370 119.986 120.400 -0.073 0.000 2.643 439 D HA 0.173 4.819 4.640 0.009 0.000 0.244 439 D C -0.615 175.630 176.300 -0.091 0.000 1.257 439 D CA -0.086 53.852 54.000 -0.104 0.000 0.831 439 D CB 0.419 41.131 40.800 -0.146 0.000 1.043 439 D HN -0.149 nan 8.370 nan 0.000 0.488 440 S N 0.765 116.420 115.700 -0.075 0.000 2.525 440 S HA 0.430 4.906 4.470 0.009 0.000 0.278 440 S C 0.341 174.926 174.600 -0.024 0.000 1.234 440 S CA -0.842 57.321 58.200 -0.062 0.000 1.058 440 S CB 1.306 64.452 63.200 -0.090 0.000 0.983 440 S HN 0.158 nan 8.310 nan 0.000 0.495 441 R N 1.847 122.348 120.500 0.001 0.000 2.643 441 R HA 0.581 4.927 4.340 0.009 0.000 0.272 441 R C -0.171 176.160 176.300 0.052 0.000 0.995 441 R CA -0.801 55.312 56.100 0.022 0.000 1.032 441 R CB 1.035 31.350 30.300 0.025 0.000 1.126 441 R HN 0.794 nan 8.270 nan 0.000 0.505 442 Q N 0.914 120.751 119.800 0.061 0.000 2.685 442 Q HA 0.371 4.717 4.340 0.009 0.000 0.301 442 Q C -1.320 174.723 176.000 0.071 0.000 0.924 442 Q CA -0.968 54.891 55.803 0.092 0.000 0.755 442 Q CB 1.737 30.523 28.738 0.080 0.000 1.470 442 Q HN 0.506 nan 8.270 nan 0.000 0.434 443 M N 1.815 121.457 119.600 0.069 0.000 2.216 443 M HA 0.264 4.749 4.480 0.009 0.000 0.356 443 M C -0.543 175.728 176.300 -0.048 0.000 1.205 443 M CA -0.503 54.773 55.300 -0.040 0.000 1.122 443 M CB 0.674 33.149 32.600 -0.208 0.000 1.571 443 M HN 0.896 nan 8.290 nan 0.000 0.464 444 H N 2.944 121.943 119.070 -0.118 0.000 3.173 444 H HA -0.119 4.442 4.556 0.009 0.000 0.311 444 H C 0.721 175.996 175.328 -0.090 0.000 0.972 444 H CA 1.107 57.102 56.048 -0.089 0.000 1.384 444 H CB 0.712 30.415 29.762 -0.098 0.000 1.349 444 H HN 0.742 nan 8.280 nan 0.000 0.582 445 Q N 4.375 123.869 119.800 -0.510 0.000 2.234 445 Q HA -0.133 4.212 4.340 0.009 0.000 0.206 445 Q C 1.960 177.850 176.000 -0.184 0.000 0.980 445 Q CA 1.894 57.524 55.803 -0.288 0.000 0.869 445 Q CB -0.359 28.229 28.738 -0.251 0.000 0.912 445 Q HN 0.792 nan 8.270 nan 0.000 0.436 446 A N -0.155 122.558 122.820 -0.179 0.000 1.930 446 A HA -0.117 4.208 4.320 0.009 0.000 0.217 446 A C 2.096 179.738 177.584 0.096 0.000 1.175 446 A CA 1.175 53.252 52.037 0.067 0.000 0.627 446 A CB -0.633 18.519 19.000 0.254 0.000 0.815 446 A HN 0.463 nan 8.150 nan 0.000 0.443 447 L N -0.834 120.415 121.223 0.044 0.000 2.005 447 L HA -0.253 4.092 4.340 0.009 0.000 0.207 447 L C 2.997 179.840 176.870 -0.045 0.000 1.072 447 L CA 1.719 56.548 54.840 -0.019 0.000 0.744 447 L CB -0.519 41.414 42.059 -0.211 0.000 0.895 447 L HN 0.509 nan 8.230 nan 0.000 0.433 448 Q N -0.321 119.367 119.800 -0.185 0.000 2.014 448 Q HA -0.264 4.081 4.340 0.009 0.000 0.207 448 Q C 1.844 177.835 176.000 -0.015 0.000 0.993 448 Q CA 1.945 57.624 55.803 -0.206 0.000 0.850 448 Q CB -0.264 28.384 28.738 -0.152 0.000 0.916 448 Q HN 0.492 nan 8.270 nan 0.000 0.417 449 D N 0.076 120.492 120.400 0.026 0.000 2.158 449 D HA -0.175 4.470 4.640 0.009 0.000 0.197 449 D C 1.595 177.959 176.300 0.106 0.000 0.995 449 D CA 0.960 55.000 54.000 0.067 0.000 0.846 449 D CB -0.265 40.577 40.800 0.071 0.000 0.941 449 D HN 0.155 nan 8.370 nan 0.000 0.456 450 F N 1.231 121.183 119.950 0.003 0.000 2.146 450 F HA -0.062 4.470 4.527 0.008 0.000 0.298 450 F C 2.157 177.966 175.800 0.015 0.000 1.096 450 F CA 0.859 58.865 58.000 0.011 0.000 1.275 450 F CB -0.281 38.729 39.000 0.016 0.000 1.008 450 F HN -0.134 nan 8.300 nan 0.000 0.480 451 L N -0.746 120.443 121.223 -0.056 0.000 2.056 451 L HA -0.208 4.137 4.340 0.009 0.000 0.207 451 L C 2.510 179.314 176.870 -0.110 0.000 1.078 451 L CA 1.435 56.217 54.840 -0.096 0.000 0.749 451 L CB -1.009 41.084 42.059 0.057 0.000 0.901 451 L HN 0.033 nan 8.230 nan 0.000 0.433 452 S N -0.058 115.616 115.700 -0.043 0.000 2.402 452 S HA -0.104 4.371 4.470 0.009 0.000 0.229 452 S C 2.156 176.716 174.600 -0.066 0.000 1.021 452 S CA 1.060 59.248 58.200 -0.021 0.000 0.974 452 S CB -0.224 62.991 63.200 0.026 0.000 0.800 452 S HN 0.480 nan 8.310 nan 0.000 0.484 453 A N 1.208 123.961 122.820 -0.110 0.000 2.067 453 A HA -0.087 4.239 4.320 0.009 0.000 0.219 453 A C 2.038 179.511 177.584 -0.185 0.000 1.158 453 A CA 0.927 52.891 52.037 -0.121 0.000 0.661 453 A CB -0.293 18.651 19.000 -0.094 0.000 0.801 453 A HN 0.347 nan 8.150 nan 0.000 0.452 454 Q N -0.590 119.044 119.800 -0.277 0.000 2.245 454 Q HA -0.173 4.172 4.340 0.009 0.000 0.201 454 Q C 1.499 177.427 176.000 -0.120 0.000 0.955 454 Q CA 1.276 56.926 55.803 -0.254 0.000 0.870 454 Q CB -0.490 28.063 28.738 -0.308 0.000 0.945 454 Q HN 1.000 nan 8.270 nan 0.000 0.461 455 Q N -1.258 118.487 119.800 -0.092 0.000 2.026 455 Q HA -0.278 4.067 4.340 0.009 0.000 0.155 455 Q C 1.025 177.001 176.000 -0.041 0.000 0.702 455 Q CA 1.934 57.707 55.803 -0.050 0.000 1.507 455 Q CB -2.223 26.491 28.738 -0.040 0.000 1.645 455 Q HN 0.253 nan 8.270 nan 0.000 0.824 456 V N 0.399 120.300 119.914 -0.022 0.000 3.305 456 V HA -0.097 4.028 4.120 0.009 0.000 0.269 456 V C 1.164 177.249 176.094 -0.016 0.000 1.157 456 V CA 2.199 64.506 62.300 0.012 0.000 1.157 456 V CB -0.140 31.758 31.823 0.124 0.000 0.772 456 V HN 0.487 nan 8.190 nan 0.000 0.498 457 Q N -0.076 119.704 119.800 -0.034 0.000 2.088 457 Q HA 0.465 4.810 4.340 0.009 0.000 0.270 457 Q C 0.455 176.432 176.000 -0.038 0.000 0.854 457 Q CA 0.244 56.019 55.803 -0.047 0.000 1.104 457 Q CB 1.040 29.725 28.738 -0.089 0.000 1.251 457 Q HN 0.488 nan 8.270 nan 0.000 0.436 458 A N 2.663 125.485 122.820 0.003 0.000 1.840 458 A HA -0.136 4.189 4.320 0.009 0.000 0.341 458 A C -2.271 175.287 177.584 -0.043 0.000 0.784 458 A CA -0.272 51.764 52.037 -0.002 0.000 1.538 458 A CB -0.799 18.234 19.000 0.056 0.000 0.619 458 A HN 0.131 nan 8.150 nan 0.000 0.209 459 P HA 0.239 nan 4.420 nan 0.000 0.267 459 P C -0.423 176.876 177.300 -0.001 0.000 1.200 459 P CA -0.006 63.145 63.100 0.084 0.000 0.772 459 P CB 0.738 32.597 31.700 0.265 0.000 0.855 460 V N 3.988 123.857 119.914 -0.075 0.000 2.444 460 V HA 0.244 4.369 4.120 0.009 0.000 0.294 460 V C 0.158 176.037 176.094 -0.359 0.000 1.022 460 V CA -0.657 61.547 62.300 -0.162 0.000 0.850 460 V CB 1.637 33.380 31.823 -0.134 0.000 0.992 460 V HN 0.416 nan 8.190 nan 0.000 0.426 461 K N 5.113 125.268 120.400 -0.408 0.000 2.276 461 K HA 0.612 4.937 4.320 0.009 0.000 0.283 461 K C -0.705 175.772 176.600 -0.205 0.000 1.044 461 K CA -0.127 55.809 56.287 -0.584 0.000 0.944 461 K CB 0.954 33.236 32.500 -0.363 0.000 1.012 461 K HN 0.482 nan 8.250 nan 0.000 0.472 462 L N 1.867 123.021 121.223 -0.116 0.000 2.341 462 L HA 0.458 4.804 4.340 0.009 0.000 0.267 462 L C -0.591 176.478 176.870 0.331 0.000 1.022 462 L CA -1.233 53.714 54.840 0.177 0.000 0.844 462 L CB 0.843 43.079 42.059 0.295 0.000 1.436 462 L HN 0.577 nan 8.230 nan 0.000 0.483 463 Y N 0.115 120.594 120.300 0.299 0.000 2.402 463 Y HA 0.209 4.764 4.550 0.009 0.000 0.332 463 Y C 0.481 176.623 175.900 0.403 0.000 0.960 463 Y CA -0.401 57.867 58.100 0.280 0.000 1.228 463 Y CB 1.270 39.866 38.460 0.227 0.000 1.120 463 Y HN 0.627 nan 8.280 nan 0.000 0.491 464 S N 0.847 116.667 115.700 0.200 0.000 2.649 464 S HA -0.019 4.456 4.470 0.009 0.000 0.246 464 S C 0.983 175.310 174.600 -0.455 0.000 1.057 464 S CA 0.188 58.306 58.200 -0.137 0.000 1.051 464 S CB 0.037 63.315 63.200 0.131 0.000 1.018 464 S HN 0.778 nan 8.310 nan 0.000 0.569 465 D N 2.369 122.712 120.400 -0.094 0.000 2.322 465 D HA -0.137 4.508 4.640 0.009 0.000 0.210 465 D C 1.555 177.807 176.300 -0.079 0.000 0.983 465 D CA 1.589 55.589 54.000 -0.000 0.000 0.902 465 D CB -0.256 40.690 40.800 0.243 0.000 0.905 465 D HN 0.797 nan 8.370 nan 0.000 0.483 466 W N 0.011 121.139 121.300 -0.286 0.000 2.584 466 W HA 0.120 4.785 4.660 0.009 0.000 0.264 466 W C 0.090 176.570 176.519 -0.065 0.000 1.264 466 W CA -0.316 56.933 57.345 -0.159 0.000 1.306 466 W CB -1.074 28.168 29.460 -0.362 0.000 1.110 466 W HN -0.115 nan 8.180 nan 0.000 0.606 467 L N 2.065 122.735 121.223 -0.921 0.000 2.371 467 L HA 0.056 4.402 4.340 0.009 0.000 0.272 467 L C 2.149 178.856 176.870 -0.271 0.000 1.124 467 L CA -0.111 54.313 54.840 -0.692 0.000 0.816 467 L CB 1.390 42.899 42.059 -0.917 0.000 1.129 467 L HN -0.141 nan 8.230 nan 0.000 0.448 468 S N 1.981 117.610 115.700 -0.118 0.000 2.359 468 S HA -0.158 4.317 4.470 0.009 0.000 0.223 468 S C 1.597 176.150 174.600 -0.078 0.000 1.039 468 S CA 1.905 60.081 58.200 -0.039 0.000 1.042 468 S CB 0.072 63.272 63.200 -0.000 0.000 0.915 468 S HN 0.479 nan 8.310 nan 0.000 0.439 469 V N 0.257 120.083 119.914 -0.146 0.000 2.346 469 V HA 0.195 4.321 4.120 0.009 0.000 0.244 469 V C 2.029 178.008 176.094 -0.191 0.000 1.037 469 V CA 1.218 63.386 62.300 -0.220 0.000 1.029 469 V CB -1.281 30.303 31.823 -0.398 0.000 0.663 469 V HN 0.793 nan 8.190 nan 0.000 0.454 470 G N -0.661 108.013 108.800 -0.210 0.000 2.131 470 G HA2 -0.218 3.747 3.960 0.009 0.000 0.223 470 G HA3 -0.218 3.747 3.960 0.009 0.000 0.223 470 G C -0.033 174.932 174.900 0.109 0.000 0.990 470 G CA 0.043 45.079 45.100 -0.107 0.000 0.671 470 G HN 0.632 nan 8.290 nan 0.000 0.521 471 H N -0.557 118.478 119.070 -0.058 0.000 2.525 471 H HA 0.385 4.946 4.556 0.009 0.000 0.339 471 H C 1.746 177.053 175.328 -0.035 0.000 1.109 471 H CA -0.423 55.615 56.048 -0.017 0.000 1.352 471 H CB 2.004 31.763 29.762 -0.004 0.000 1.461 471 H HN 0.337 nan 8.280 nan 0.000 0.533 472 V N -0.407 119.541 119.914 0.057 0.000 2.913 472 V HA -0.174 3.952 4.120 0.009 0.000 0.260 472 V C 1.383 177.223 176.094 -0.423 0.000 1.098 472 V CA 1.792 63.939 62.300 -0.254 0.000 1.121 472 V CB -0.157 31.536 31.823 -0.217 0.000 0.714 472 V HN 0.723 nan 8.190 nan 0.000 0.487 473 D N 1.000 121.335 120.400 -0.108 0.000 2.312 473 D HA -0.104 4.541 4.640 0.009 0.000 0.211 473 D C 2.060 178.354 176.300 -0.010 0.000 0.964 473 D CA 1.085 55.052 54.000 -0.055 0.000 0.877 473 D CB -0.094 40.740 40.800 0.055 0.000 0.924 473 D HN 0.718 nan 8.370 nan 0.000 0.515 474 E N -1.240 118.982 120.200 0.037 0.000 2.427 474 E HA -0.073 4.283 4.350 0.009 0.000 0.196 474 E C 1.095 177.890 176.600 0.325 0.000 1.028 474 E CA 0.456 56.949 56.400 0.155 0.000 0.864 474 E CB 0.014 29.787 29.700 0.123 0.000 0.813 474 E HN 0.518 nan 8.360 nan 0.000 0.514 475 F N -0.925 119.132 119.950 0.179 0.000 2.784 475 F HA 0.282 4.814 4.527 0.009 0.000 0.323 475 F C 0.077 175.956 175.800 0.131 0.000 1.085 475 F CA -0.984 57.152 58.000 0.226 0.000 1.196 475 F CB 0.288 39.467 39.000 0.300 0.000 1.053 475 F HN -0.191 nan 8.300 nan 0.000 0.578 476 L N -0.764 120.296 121.223 -0.271 0.000 2.277 476 L HA 0.949 5.294 4.340 0.009 0.000 0.254 476 L C -0.404 176.345 176.870 -0.201 0.000 1.044 476 L CA -1.348 53.350 54.840 -0.237 0.000 0.842 476 L CB 1.415 43.237 42.059 -0.396 0.000 1.422 476 L HN -0.037 nan 8.230 nan 0.000 0.422 477 S N -0.687 114.846 115.700 -0.280 0.000 2.586 477 S HA 0.768 5.243 4.470 0.009 0.000 0.277 477 S C -1.990 172.401 174.600 -0.348 0.000 1.131 477 S CA -0.493 57.598 58.200 -0.181 0.000 0.848 477 S CB 0.451 63.624 63.200 -0.045 0.000 1.091 477 S HN 0.522 nan 8.310 nan 0.000 0.453 478 F N 2.247 122.200 119.950 0.006 0.000 2.508 478 F HA 0.752 5.284 4.527 0.009 0.000 0.325 478 F C 0.190 176.018 175.800 0.047 0.000 1.090 478 F CA -0.535 57.474 58.000 0.014 0.000 0.945 478 F CB 2.211 41.162 39.000 -0.082 0.000 1.156 478 F HN 0.489 nan 8.300 nan 0.000 0.463 479 V N 0.427 120.512 119.914 0.285 0.000 3.007 479 V HA 0.690 4.816 4.120 0.009 0.000 0.311 479 V C -3.040 173.201 176.094 0.245 0.000 1.120 479 V CA -3.089 59.333 62.300 0.204 0.000 0.980 479 V CB 1.925 33.829 31.823 0.136 0.000 1.033 479 V HN 0.422 nan 8.190 nan 0.000 0.429 480 P HA 0.552 nan 4.420 nan 0.000 0.271 480 P C -0.635 176.754 177.300 0.149 0.000 1.216 480 P CA 0.348 63.551 63.100 0.172 0.000 0.776 480 P CB 0.942 32.710 31.700 0.113 0.000 0.881 481 A N 4.139 127.041 122.820 0.138 0.000 2.498 481 A HA 0.654 4.979 4.320 0.009 0.000 0.298 481 A C -2.224 175.391 177.584 0.051 0.000 1.075 481 A CA -1.167 50.917 52.037 0.078 0.000 0.714 481 A CB 1.326 20.353 19.000 0.044 0.000 1.299 481 A HN 0.389 nan 8.150 nan 0.000 0.407 482 P HA 0.127 nan 4.420 nan 0.000 0.264 482 P C -0.444 176.861 177.300 0.008 0.000 1.259 482 P CA 0.652 63.767 63.100 0.025 0.000 0.841 482 P CB 0.613 32.328 31.700 0.026 0.000 1.232 483 D N -0.822 119.574 120.400 -0.007 0.000 3.206 483 D HA 0.044 4.689 4.640 0.009 0.000 0.267 483 D C 1.935 178.209 176.300 -0.044 0.000 1.506 483 D CA 0.018 54.007 54.000 -0.019 0.000 1.173 483 D CB -0.728 40.063 40.800 -0.016 0.000 1.141 483 D HN -0.267 nan 8.370 nan 0.000 0.350 484 R N 1.006 121.462 120.500 -0.073 0.000 2.433 484 R HA -0.010 4.335 4.340 0.009 0.000 0.183 484 R C 0.983 177.197 176.300 -0.142 0.000 0.879 484 R CA 1.822 57.853 56.100 -0.115 0.000 0.951 484 R CB -0.346 29.856 30.300 -0.164 0.000 0.654 484 R HN 0.137 nan 8.270 nan 0.000 0.504 485 K N -1.292 118.944 120.400 -0.273 0.000 2.399 485 K HA 0.266 4.591 4.320 0.009 0.000 0.204 485 K C 0.055 176.563 176.600 -0.153 0.000 1.023 485 K CA 0.530 56.671 56.287 -0.242 0.000 1.127 485 K CB 1.157 33.434 32.500 -0.372 0.000 0.856 485 K HN 0.704 nan 8.250 nan 0.000 0.514 486 G N 1.884 110.614 108.800 -0.118 0.000 2.131 486 G HA2 -0.248 3.717 3.960 0.009 0.000 0.223 486 G HA3 -0.248 3.717 3.960 0.009 0.000 0.223 486 G C -0.216 174.796 174.900 0.186 0.000 0.990 486 G CA 0.297 45.428 45.100 0.051 0.000 0.671 486 G HN 0.348 nan 8.290 nan 0.000 0.521 487 F N -2.759 117.241 119.950 0.082 0.000 2.944 487 F HA 0.864 5.396 4.527 0.009 0.000 0.324 487 F C -1.151 174.727 175.800 0.129 0.000 1.151 487 F CA -2.016 56.055 58.000 0.119 0.000 0.883 487 F CB 0.619 39.712 39.000 0.156 0.000 1.341 487 F HN 0.208 nan 8.300 nan 0.000 0.456 488 R N 1.521 122.355 120.500 0.558 0.000 2.604 488 R HA 0.619 4.964 4.340 0.009 0.000 0.281 488 R C -2.054 174.489 176.300 0.404 0.000 1.020 488 R CA -0.728 55.587 56.100 0.358 0.000 0.899 488 R CB 2.005 32.395 30.300 0.151 0.000 1.205 488 R HN 1.010 nan 8.270 nan 0.000 0.450 489 L N 5.370 126.754 121.223 0.268 0.000 2.290 489 L HA 0.487 4.832 4.340 0.009 0.000 0.284 489 L C -1.095 175.717 176.870 -0.096 0.000 1.078 489 L CA -0.537 54.240 54.840 -0.106 0.000 0.815 489 L CB 0.483 42.522 42.059 -0.034 0.000 1.162 489 L HN 0.574 nan 8.230 nan 0.000 0.435 490 L N 6.933 128.044 121.223 -0.186 0.000 2.280 490 L HA 0.466 4.811 4.340 0.009 0.000 0.287 490 L C -0.567 176.274 176.870 -0.047 0.000 1.023 490 L CA -0.462 54.341 54.840 -0.062 0.000 0.819 490 L CB 1.512 43.556 42.059 -0.025 0.000 1.212 490 L HN 0.582 nan 8.230 nan 0.000 0.420 491 L N 2.867 124.110 121.223 0.033 0.000 2.329 491 L HA 0.628 4.973 4.340 0.009 0.000 0.279 491 L C 0.552 177.516 176.870 0.156 0.000 1.014 491 L CA -0.604 54.305 54.840 0.115 0.000 0.814 491 L CB 2.068 44.197 42.059 0.117 0.000 1.257 491 L HN 0.691 nan 8.230 nan 0.000 0.424 492 A N 2.094 125.061 122.820 0.245 0.000 2.483 492 A HA 0.359 4.684 4.320 0.009 0.000 0.238 492 A C 0.190 177.913 177.584 0.231 0.000 1.070 492 A CA 0.095 52.306 52.037 0.290 0.000 0.770 492 A CB 0.538 19.845 19.000 0.512 0.000 1.008 492 A HN 0.576 nan 8.150 nan 0.000 0.497 493 S N 2.609 118.437 115.700 0.212 0.000 2.721 493 S HA 0.546 5.021 4.470 0.009 0.000 0.264 493 S C -2.281 172.422 174.600 0.170 0.000 1.161 493 S CA -1.096 57.196 58.200 0.152 0.000 1.113 493 S CB 1.191 64.454 63.200 0.105 0.000 1.079 493 S HN 0.385 nan 8.310 nan 0.000 0.479 494 P HA -0.073 nan 4.420 nan 0.000 0.218 494 P C 1.606 179.068 177.300 0.270 0.000 1.149 494 P CA 0.513 63.760 63.100 0.246 0.000 0.817 494 P CB 0.120 31.987 31.700 0.279 0.000 0.785 495 R N -0.231 120.376 120.500 0.179 0.000 2.083 495 R HA -0.134 4.211 4.340 0.009 0.000 0.237 495 R C 2.295 178.678 176.300 0.138 0.000 1.137 495 R CA 2.069 58.258 56.100 0.149 0.000 0.951 495 R CB -1.002 29.335 30.300 0.062 0.000 0.851 495 R HN 0.071 nan 8.270 nan 0.000 0.434 496 S N -0.456 115.303 115.700 0.099 0.000 2.419 496 S HA -0.157 4.319 4.470 0.009 0.000 0.233 496 S C 2.058 176.682 174.600 0.039 0.000 1.016 496 S CA 1.319 59.562 58.200 0.072 0.000 0.974 496 S CB -0.459 62.784 63.200 0.071 0.000 0.786 496 S HN 0.612 nan 8.310 nan 0.000 0.492 497 C N 0.004 119.308 119.300 0.005 0.000 2.492 497 C HA 0.210 4.675 4.460 0.009 0.000 0.279 497 C C 2.114 176.915 174.990 -0.315 0.000 1.335 497 C CA 0.160 59.051 59.018 -0.212 0.000 1.734 497 C CB -1.582 25.997 27.740 -0.268 0.000 2.027 497 C HN 0.747 nan 8.230 nan 0.000 0.496 498 Y N 1.329 121.564 120.300 -0.108 0.000 2.163 498 Y HA -0.143 4.412 4.550 0.009 0.000 0.288 498 Y C 2.568 178.491 175.900 0.038 0.000 1.136 498 Y CA 2.295 60.378 58.100 -0.027 0.000 1.147 498 Y CB -0.328 38.134 38.460 0.004 0.000 0.987 498 Y HN 0.299 nan 8.280 nan 0.000 0.509 499 K N 0.448 120.955 120.400 0.179 0.000 2.032 499 K HA -0.213 4.112 4.320 0.009 0.000 0.209 499 K C 2.131 178.802 176.600 0.119 0.000 1.048 499 K CA 1.439 57.803 56.287 0.129 0.000 0.927 499 K CB -0.468 32.087 32.500 0.092 0.000 0.712 499 K HN 0.320 nan 8.250 nan 0.000 0.441 500 L N 0.286 121.569 121.223 0.100 0.000 2.017 500 L HA -0.173 4.172 4.340 0.009 0.000 0.208 500 L C 2.171 179.201 176.870 0.266 0.000 1.073 500 L CA 1.646 56.567 54.840 0.135 0.000 0.745 500 L CB -0.427 41.695 42.059 0.105 0.000 0.894 500 L HN 0.215 nan 8.230 nan 0.000 0.432 501 F N 0.512 120.456 119.950 -0.010 0.000 2.171 501 F HA -0.222 4.310 4.527 0.009 0.000 0.300 501 F C 2.766 178.571 175.800 0.008 0.000 1.090 501 F CA 1.383 59.367 58.000 -0.027 0.000 1.293 501 F CB -1.046 37.919 39.000 -0.058 0.000 1.013 501 F HN 0.263 nan 8.300 nan 0.000 0.486 502 Q N 0.851 120.795 119.800 0.241 0.000 2.046 502 Q HA -0.173 4.172 4.340 0.009 0.000 0.200 502 Q C 1.947 178.013 176.000 0.109 0.000 0.975 502 Q CA 1.910 57.809 55.803 0.161 0.000 0.836 502 Q CB -0.442 28.391 28.738 0.159 0.000 0.896 502 Q HN 0.462 nan 8.270 nan 0.000 0.428 503 E N -0.382 119.878 120.200 0.099 0.000 2.160 503 E HA -0.260 4.095 4.350 0.009 0.000 0.195 503 E C 1.991 178.616 176.600 0.042 0.000 0.991 503 E CA 1.108 57.545 56.400 0.063 0.000 0.810 503 E CB -0.021 29.709 29.700 0.051 0.000 0.742 503 E HN 0.316 nan 8.360 nan 0.000 0.466 504 Q N 0.843 120.665 119.800 0.037 0.000 2.046 504 Q HA -0.175 4.170 4.340 0.009 0.000 0.200 504 Q C 2.006 178.037 176.000 0.053 0.000 0.975 504 Q CA 1.533 57.322 55.803 -0.023 0.000 0.836 504 Q CB -0.073 28.617 28.738 -0.081 0.000 0.896 504 Q HN 0.248 nan 8.270 nan 0.000 0.428 505 Q N -0.040 119.795 119.800 0.059 0.000 2.030 505 Q HA -0.213 4.133 4.340 0.009 0.000 0.204 505 Q C 1.693 177.737 176.000 0.073 0.000 0.986 505 Q CA 1.923 57.766 55.803 0.066 0.000 0.843 505 Q CB -0.192 28.582 28.738 0.059 0.000 0.904 505 Q HN 0.548 nan 8.270 nan 0.000 0.420 506 N N -0.054 118.686 118.700 0.066 0.000 2.133 506 N HA -0.232 4.513 4.740 0.009 0.000 0.193 506 N C 1.271 176.821 175.510 0.066 0.000 1.012 506 N CA 1.177 54.261 53.050 0.057 0.000 0.871 506 N CB -0.090 38.427 38.487 0.051 0.000 1.011 506 N HN 0.214 nan 8.380 nan 0.000 0.435 507 E N -0.518 119.742 120.200 0.100 0.000 2.511 507 E HA 0.049 4.404 4.350 0.009 0.000 0.196 507 E C 0.978 177.691 176.600 0.189 0.000 1.066 507 E CA 0.417 56.909 56.400 0.153 0.000 0.871 507 E CB -0.080 29.720 29.700 0.168 0.000 0.863 507 E HN 0.426 nan 8.360 nan 0.000 0.520 508 G N 0.108 108.975 108.800 0.112 0.000 2.157 508 G HA2 -0.287 3.678 3.960 0.009 0.000 0.239 508 G HA3 -0.287 3.678 3.960 0.009 0.000 0.239 508 G C 0.241 175.065 174.900 -0.126 0.000 0.982 508 G CA 0.311 45.396 45.100 -0.025 0.000 0.650 508 G HN 0.425 nan 8.290 nan 0.000 0.527 509 H N 0.141 119.184 119.070 -0.044 0.000 2.537 509 H HA 0.414 4.975 4.556 0.009 0.000 0.295 509 H C 2.200 177.476 175.328 -0.087 0.000 1.054 509 H CA 0.556 56.563 56.048 -0.069 0.000 1.156 509 H CB 0.226 29.936 29.762 -0.086 0.000 1.468 509 H HN 0.337 nan 8.280 nan 0.000 0.551 510 G N 0.356 109.168 108.800 0.020 0.000 2.586 510 G HA2 -0.259 3.707 3.960 0.009 0.000 0.215 510 G HA3 -0.259 3.707 3.960 0.009 0.000 0.215 510 G C 1.526 176.405 174.900 -0.036 0.000 1.128 510 G CA 0.522 45.615 45.100 -0.011 0.000 0.774 510 G HN 0.320 nan 8.290 nan 0.000 0.543 511 E N 0.210 120.385 120.200 -0.042 0.000 2.474 511 E HA 0.397 4.752 4.350 0.009 0.000 0.194 511 E C 1.593 178.155 176.600 -0.064 0.000 1.041 511 E CA 0.072 56.442 56.400 -0.049 0.000 0.874 511 E CB -0.092 29.577 29.700 -0.053 0.000 0.914 511 E HN 0.316 nan 8.360 nan 0.000 0.498 512 A N 0.648 123.422 122.820 -0.076 0.000 2.561 512 A HA 0.163 4.488 4.320 0.009 0.000 0.234 512 A C -0.231 177.261 177.584 -0.154 0.000 1.055 512 A CA 0.202 52.172 52.037 -0.112 0.000 0.756 512 A CB 0.022 18.931 19.000 -0.152 0.000 0.986 512 A HN 0.313 nan 8.150 nan 0.000 0.505 513 L N 2.414 123.551 121.223 -0.143 0.000 2.309 513 L HA 0.453 4.798 4.340 0.009 0.000 0.282 513 L C 0.007 176.736 176.870 -0.235 0.000 1.036 513 L CA -0.374 54.377 54.840 -0.148 0.000 0.806 513 L CB 1.301 43.312 42.059 -0.080 0.000 1.220 513 L HN 0.656 nan 8.230 nan 0.000 0.429 514 L N 4.147 125.165 121.223 -0.341 0.000 2.295 514 L HA 0.581 4.926 4.340 0.009 0.000 0.285 514 L C -1.069 175.419 176.870 -0.636 0.000 1.035 514 L CA -0.223 54.225 54.840 -0.652 0.000 0.806 514 L CB 0.966 42.430 42.059 -0.991 0.000 1.214 514 L HN 0.580 nan 8.230 nan 0.000 0.426 523 Q N 2.809 122.701 119.800 0.154 0.000 2.230 523 Q HA 0.373 4.718 4.340 0.009 0.000 0.248 523 Q C -0.930 175.160 176.000 0.150 0.000 0.915 523 Q CA -0.857 55.070 55.803 0.206 0.000 0.900 523 Q CB 1.674 30.471 28.738 0.098 0.000 1.229 523 Q HN 0.618 nan 8.270 nan 0.000 0.439 524 Q N 0.786 120.646 119.800 0.100 0.000 2.372 524 Q HA 0.383 4.728 4.340 0.009 0.000 0.273 524 Q C -1.304 174.683 176.000 -0.022 0.000 1.078 524 Q CA -0.829 55.018 55.803 0.074 0.000 0.806 524 Q CB 2.839 31.686 28.738 0.181 0.000 1.332 524 Q HN 0.400 nan 8.270 nan 0.000 0.435 525 K N 1.737 122.134 120.400 -0.005 0.000 2.276 525 K HA 0.187 4.512 4.320 0.009 0.000 0.283 525 K C 0.844 177.414 176.600 -0.051 0.000 1.044 525 K CA -0.163 56.097 56.287 -0.046 0.000 0.944 525 K CB 1.054 33.540 32.500 -0.024 0.000 1.012 525 K HN 0.640 nan 8.250 nan 0.000 0.472 526 I N 2.430 122.917 120.570 -0.138 0.000 2.730 526 I HA -0.310 3.865 4.170 0.009 0.000 0.266 526 I C 1.918 178.014 176.117 -0.036 0.000 1.228 526 I CA 1.461 62.652 61.300 -0.181 0.000 1.445 526 I CB 0.123 37.899 38.000 -0.373 0.000 1.102 526 I HN 0.563 nan 8.210 nan 0.000 0.464 527 K N 1.065 121.458 120.400 -0.011 0.000 2.128 527 K HA -0.082 4.244 4.320 0.009 0.000 0.202 527 K C 1.565 178.197 176.600 0.053 0.000 1.050 527 K CA 1.077 57.379 56.287 0.025 0.000 0.966 527 K CB -0.185 32.323 32.500 0.013 0.000 0.759 527 K HN 0.425 nan 8.250 nan 0.000 0.454 528 N N 1.295 120.027 118.700 0.053 0.000 2.171 528 N HA -0.114 4.631 4.740 0.009 0.000 0.184 528 N C 1.933 177.503 175.510 0.100 0.000 1.021 528 N CA 0.780 53.872 53.050 0.071 0.000 0.854 528 N CB -0.247 38.282 38.487 0.070 0.000 0.994 528 N HN 0.059 nan 8.380 nan 0.000 0.426 529 I N 1.440 122.086 120.570 0.126 0.000 2.118 529 I HA -0.225 3.950 4.170 0.009 0.000 0.241 529 I C 2.095 178.309 176.117 0.162 0.000 1.070 529 I CA 0.847 62.242 61.300 0.158 0.000 1.327 529 I CB -0.627 37.521 38.000 0.246 0.000 1.034 529 I HN 0.051 nan 8.210 nan 0.000 0.405 530 L N 0.217 121.548 121.223 0.179 0.000 1.989 530 L HA -0.212 4.133 4.340 0.009 0.000 0.211 530 L C 2.764 179.739 176.870 0.175 0.000 1.071 530 L CA 2.401 57.379 54.840 0.229 0.000 0.749 530 L CB -1.830 40.344 42.059 0.192 0.000 0.890 530 L HN 0.481 nan 8.230 nan 0.000 0.431 531 S N -0.908 114.862 115.700 0.116 0.000 2.469 531 S HA -0.119 4.356 4.470 0.009 0.000 0.238 531 S C 1.169 175.812 174.600 0.072 0.000 0.998 531 S CA 0.195 58.444 58.200 0.082 0.000 0.957 531 S CB -0.770 62.467 63.200 0.061 0.000 0.764 531 S HN 0.446 nan 8.310 nan 0.000 0.514 532 N N 2.483 121.232 118.700 0.083 0.000 2.406 532 N HA 0.107 4.853 4.740 0.009 0.000 0.274 532 N C 0.672 176.210 175.510 0.046 0.000 1.249 532 N CA 0.146 53.228 53.050 0.054 0.000 0.951 532 N CB 0.447 38.960 38.487 0.043 0.000 1.241 532 N HN 0.453 nan 8.380 nan 0.000 0.485 533 K N 1.561 121.977 120.400 0.026 0.000 2.057 533 K HA -0.086 4.240 4.320 0.009 0.000 0.206 533 K C 1.452 178.053 176.600 0.002 0.000 1.050 533 K CA 1.330 57.626 56.287 0.015 0.000 0.935 533 K CB 0.060 32.568 32.500 0.013 0.000 0.715 533 K HN 0.441 nan 8.250 nan 0.000 0.439 534 T N 2.313 116.852 114.554 -0.025 0.000 2.708 534 T HA -0.119 4.236 4.350 0.009 0.000 0.266 534 T C 1.740 176.335 174.700 -0.174 0.000 1.037 534 T CA 0.843 62.900 62.100 -0.073 0.000 1.146 534 T CB -0.155 68.642 68.868 -0.117 0.000 0.865 534 T HN 0.153 nan 8.240 nan 0.000 0.435 535 L N 0.517 121.635 121.223 -0.176 0.000 2.042 535 L HA -0.138 4.207 4.340 0.009 0.000 0.210 535 L C 2.846 179.735 176.870 0.033 0.000 1.076 535 L CA 1.586 56.322 54.840 -0.174 0.000 0.749 535 L CB -0.358 41.609 42.059 -0.153 0.000 0.893 535 L HN 0.226 nan 8.230 nan 0.000 0.432 536 R N -0.039 120.501 120.500 0.067 0.000 2.083 536 R HA -0.231 4.114 4.340 0.009 0.000 0.237 536 R C 2.095 178.397 176.300 0.003 0.000 1.137 536 R CA 2.150 58.253 56.100 0.005 0.000 0.951 536 R CB -0.080 30.177 30.300 -0.071 0.000 0.851 536 R HN 0.473 nan 8.270 nan 0.000 0.434 537 E N -1.392 118.845 120.200 0.062 0.000 2.072 537 E HA -0.195 4.160 4.350 0.009 0.000 0.191 537 E C 1.965 178.688 176.600 0.205 0.000 0.985 537 E CA 1.250 57.713 56.400 0.105 0.000 0.801 537 E CB -0.136 29.632 29.700 0.114 0.000 0.750 537 E HN 0.439 nan 8.360 nan 0.000 0.452 538 H N 0.802 119.910 119.070 0.064 0.000 2.289 538 H HA -0.080 4.481 4.556 0.009 0.000 0.296 538 H C 1.890 177.318 175.328 0.166 0.000 1.091 538 H CA 1.435 57.551 56.048 0.114 0.000 1.274 538 H CB -0.165 29.649 29.762 0.087 0.000 1.364 538 H HN 0.116 nan 8.280 nan 0.000 0.490 539 N N -0.370 118.490 118.700 0.267 0.000 2.244 539 N HA -0.125 4.620 4.740 0.009 0.000 0.183 539 N C 2.051 177.602 175.510 0.068 0.000 1.016 539 N CA 1.090 54.262 53.050 0.203 0.000 0.866 539 N CB -0.194 38.475 38.487 0.303 0.000 0.980 539 N HN 0.289 nan 8.380 nan 0.000 0.430 540 S N 0.328 116.051 115.700 0.039 0.000 2.402 540 S HA -0.109 4.366 4.470 0.009 0.000 0.229 540 S C 1.770 176.350 174.600 -0.033 0.000 1.021 540 S CA 0.541 58.725 58.200 -0.027 0.000 0.974 540 S CB -0.329 62.855 63.200 -0.026 0.000 0.800 540 S HN 0.383 nan 8.310 nan 0.000 0.484 541 F N 1.698 121.590 119.950 -0.096 0.000 2.163 541 F HA 0.077 4.610 4.527 0.009 0.000 0.297 541 F C 1.986 177.629 175.800 -0.261 0.000 1.094 541 F CA 1.231 59.144 58.000 -0.145 0.000 1.290 541 F CB -0.379 38.548 39.000 -0.122 0.000 1.017 541 F HN 0.070 nan 8.300 nan 0.000 0.483 542 V N 0.825 120.471 119.914 -0.446 0.000 2.407 542 V HA -0.290 3.835 4.120 0.009 0.000 0.248 542 V C 2.375 177.991 176.094 -0.797 0.000 1.055 542 V CA 2.224 64.053 62.300 -0.785 0.000 1.049 542 V CB -0.785 30.777 31.823 -0.434 0.000 0.662 542 V HN 0.458 nan 8.190 nan 0.000 0.455 543 E N 0.135 120.072 120.200 -0.438 0.000 2.085 543 E HA -0.292 4.064 4.350 0.009 0.000 0.194 543 E C 2.409 178.778 176.600 -0.385 0.000 0.994 543 E CA 1.487 57.694 56.400 -0.321 0.000 0.801 543 E CB -0.039 29.559 29.700 -0.170 0.000 0.743 543 E HN 0.456 nan 8.360 nan 0.000 0.453 544 R N -0.347 119.888 120.500 -0.441 0.000 2.073 544 R HA -0.142 4.203 4.340 0.009 0.000 0.234 544 R C 2.465 178.479 176.300 -0.477 0.000 1.134 544 R CA 1.942 57.809 56.100 -0.389 0.000 0.952 544 R CB -0.354 29.707 30.300 -0.398 0.000 0.850 544 R HN 0.308 nan 8.270 nan 0.000 0.433 545 C N -0.209 118.554 119.300 -0.894 0.000 2.446 545 C HA -0.023 4.443 4.460 0.009 0.000 0.277 545 C C 2.442 176.917 174.990 -0.858 0.000 1.275 545 C CA 0.411 58.783 59.018 -1.077 0.000 1.727 545 C CB -0.771 25.571 27.740 -2.329 0.000 2.010 545 C HN 0.492 nan 8.230 nan 0.000 0.486 546 I N 1.247 121.281 120.570 -0.893 0.000 2.252 546 I HA -0.170 4.005 4.170 0.009 0.000 0.245 546 I C 2.104 178.063 176.117 -0.264 0.000 1.102 546 I CA 1.487 62.443 61.300 -0.575 0.000 1.385 546 I CB -0.597 37.162 38.000 -0.402 0.000 1.064 546 I HN 0.301 nan 8.210 nan 0.000 0.414 547 D N 0.300 120.576 120.400 -0.207 0.000 2.144 547 D HA -0.240 4.405 4.640 0.009 0.000 0.199 547 D C 1.753 178.019 176.300 -0.056 0.000 0.984 547 D CA 0.965 54.904 54.000 -0.101 0.000 0.834 547 D CB -0.404 40.344 40.800 -0.087 0.000 0.955 547 D HN 0.515 nan 8.370 nan 0.000 0.465 548 W N 1.993 123.173 121.300 -0.200 0.000 2.338 548 W HA -0.149 4.516 4.660 0.009 0.000 0.304 548 W C 1.521 177.992 176.519 -0.080 0.000 1.212 548 W CA 0.904 58.170 57.345 -0.132 0.000 1.264 548 W CB -0.193 29.190 29.460 -0.128 0.000 1.142 548 W HN -0.038 nan 8.180 nan 0.000 0.512 549 N N 0.461 119.165 118.700 0.006 0.000 2.270 549 N HA -0.152 4.593 4.740 0.009 0.000 0.181 549 N C 1.950 177.460 175.510 -0.000 0.000 1.016 549 N CA 1.020 54.087 53.050 0.028 0.000 0.870 549 N CB -0.505 38.008 38.487 0.043 0.000 0.979 549 N HN 0.264 nan 8.380 nan 0.000 0.431 550 R N 1.441 121.925 120.500 -0.027 0.000 2.080 550 R HA -0.129 4.216 4.340 0.009 0.000 0.236 550 R C 1.573 177.833 176.300 -0.066 0.000 1.137 550 R CA 1.325 57.415 56.100 -0.016 0.000 0.943 550 R CB 0.097 30.379 30.300 -0.029 0.000 0.846 550 R HN 0.076 nan 8.270 nan 0.000 0.431 551 E N 0.642 120.752 120.200 -0.150 0.000 2.058 551 E HA -0.200 4.155 4.350 0.009 0.000 0.194 551 E C 2.001 178.465 176.600 -0.226 0.000 0.997 551 E CA 0.888 57.163 56.400 -0.208 0.000 0.801 551 E CB -0.360 29.145 29.700 -0.325 0.000 0.746 551 E HN 0.214 nan 8.360 nan 0.000 0.450 552 L N 0.483 121.533 121.223 -0.288 0.000 2.012 552 L HA -0.155 4.191 4.340 0.009 0.000 0.210 552 L C 2.409 179.223 176.870 -0.094 0.000 1.073 552 L CA 1.359 56.066 54.840 -0.221 0.000 0.748 552 L CB -0.691 41.254 42.059 -0.190 0.000 0.891 552 L HN 0.110 nan 8.230 nan 0.000 0.431 553 L N -1.394 119.811 121.223 -0.030 0.000 2.201 553 L HA -0.204 4.142 4.340 0.009 0.000 0.212 553 L C 2.374 179.257 176.870 0.022 0.000 1.105 553 L CA 1.014 55.871 54.840 0.028 0.000 0.775 553 L CB -0.473 41.641 42.059 0.091 0.000 0.913 553 L HN 0.191 nan 8.230 nan 0.000 0.440 554 K N -0.325 120.070 120.400 -0.009 0.000 2.155 554 K HA -0.142 4.184 4.320 0.009 0.000 0.203 554 K C 2.227 178.817 176.600 -0.016 0.000 1.052 554 K CA 0.868 57.154 56.287 -0.001 0.000 0.948 554 K CB -0.010 32.477 32.500 -0.021 0.000 0.728 554 K HN 0.182 nan 8.250 nan 0.000 0.448 555 R N 1.120 121.590 120.500 -0.050 0.000 2.051 555 R HA -0.080 4.265 4.340 0.009 0.000 0.225 555 R C 1.709 177.986 176.300 -0.039 0.000 1.155 555 R CA 1.264 57.333 56.100 -0.051 0.000 0.945 555 R CB 0.088 30.337 30.300 -0.085 0.000 0.840 555 R HN -0.017 nan 8.270 nan 0.000 0.432 556 E N 0.428 120.593 120.200 -0.058 0.000 2.265 556 E HA -0.139 4.216 4.350 0.009 0.000 0.196 556 E C 1.270 177.810 176.600 -0.101 0.000 0.996 556 E CA 0.776 57.126 56.400 -0.084 0.000 0.832 556 E CB 0.153 29.791 29.700 -0.103 0.000 0.756 556 E HN 0.264 nan 8.360 nan 0.000 0.491 557 L N -0.810 120.390 121.223 -0.039 0.000 2.766 557 L HA 0.283 4.629 4.340 0.009 0.000 0.242 557 L C 1.007 177.913 176.870 0.061 0.000 1.136 557 L CA 0.452 55.288 54.840 -0.007 0.000 0.933 557 L CB 0.208 42.297 42.059 0.049 0.000 1.241 557 L HN 0.145 nan 8.230 nan 0.000 0.522 558 G N 0.625 109.452 108.800 0.046 0.000 2.283 558 G HA2 -0.286 3.680 3.960 0.009 0.000 0.280 558 G HA3 -0.286 3.680 3.960 0.009 0.000 0.280 558 G C 0.415 175.359 174.900 0.074 0.000 1.029 558 G CA 0.484 45.618 45.100 0.057 0.000 0.840 558 G HN 0.295 nan 8.290 nan 0.000 0.505 559 L N -0.617 120.656 121.223 0.083 0.000 2.456 559 L HA 0.677 5.022 4.340 0.009 0.000 0.257 559 L C 0.830 177.729 176.870 0.047 0.000 1.162 559 L CA -0.095 54.803 54.840 0.097 0.000 0.808 559 L CB 1.289 43.431 42.059 0.138 0.000 1.136 559 L HN 0.385 nan 8.230 nan 0.000 0.466 560 A N 0.280 123.122 122.820 0.036 0.000 2.454 560 A HA 0.404 4.729 4.320 0.009 0.000 0.302 560 A C 0.531 178.123 177.584 0.013 0.000 1.079 560 A CA -0.553 51.492 52.037 0.013 0.000 0.731 560 A CB 1.406 20.406 19.000 -0.000 0.000 1.299 560 A HN 0.741 nan 8.150 nan 0.000 0.413 561 E N 0.879 121.082 120.200 0.007 0.000 2.187 561 E HA -0.190 4.165 4.350 0.009 0.000 0.199 561 E C 2.053 178.657 176.600 0.007 0.000 1.004 561 E CA 1.998 58.403 56.400 0.008 0.000 0.813 561 E CB -0.351 29.350 29.700 0.003 0.000 0.736 561 E HN 0.786 nan 8.360 nan 0.000 0.468 562 S N 0.575 116.273 115.700 -0.003 0.000 2.537 562 S HA -0.095 4.380 4.470 0.009 0.000 0.240 562 S C 1.080 175.665 174.600 -0.026 0.000 0.981 562 S CA 0.804 58.996 58.200 -0.013 0.000 0.948 562 S CB 0.088 63.276 63.200 -0.021 0.000 0.759 562 S HN 0.099 nan 8.310 nan 0.000 0.531 563 D N 0.804 121.194 120.400 -0.015 0.000 2.389 563 D HA 0.336 4.982 4.640 0.009 0.000 0.206 563 D C 0.285 176.616 176.300 0.051 0.000 1.055 563 D CA 0.180 54.166 54.000 -0.023 0.000 0.856 563 D CB 0.374 41.174 40.800 0.000 0.000 0.957 563 D HN 0.451 nan 8.370 nan 0.000 0.509 564 I N 1.357 121.954 120.570 0.045 0.000 2.525 564 I HA 0.269 4.445 4.170 0.009 0.000 0.301 564 I C -0.266 175.874 176.117 0.038 0.000 0.992 564 I CA -0.673 60.657 61.300 0.050 0.000 1.162 564 I CB 2.390 40.415 38.000 0.043 0.000 1.332 564 I HN -0.323 nan 8.210 nan 0.000 0.458 565 I N 3.813 124.407 120.570 0.040 0.000 2.468 565 I HA 0.254 4.429 4.170 0.009 0.000 0.285 565 I C -1.030 175.116 176.117 0.048 0.000 1.039 565 I CA -0.477 60.848 61.300 0.042 0.000 1.074 565 I CB 1.550 39.578 38.000 0.047 0.000 1.228 565 I HN 0.558 nan 8.210 nan 0.000 0.436 566 D N 6.566 126.997 120.400 0.052 0.000 2.308 566 D HA 0.374 5.019 4.640 0.009 0.000 0.251 566 D C -0.033 176.313 176.300 0.078 0.000 1.127 566 D CA -0.103 53.937 54.000 0.065 0.000 0.876 566 D CB 1.562 42.397 40.800 0.060 0.000 1.176 566 D HN 0.164 nan 8.370 nan 0.000 0.446 567 I N 4.080 124.709 120.570 0.098 0.000 2.359 567 I HA 0.242 4.418 4.170 0.009 0.000 0.294 567 I C -2.116 174.078 176.117 0.128 0.000 0.987 567 I CA -2.913 58.454 61.300 0.112 0.000 1.225 567 I CB 1.250 39.325 38.000 0.125 0.000 1.366 567 I HN 0.158 nan 8.210 nan 0.000 0.466 568 P HA 0.103 nan 4.420 nan 0.000 0.267 568 P C -0.834 176.585 177.300 0.198 0.000 1.209 568 P CA -0.061 63.109 63.100 0.117 0.000 0.763 568 P CB 0.985 32.727 31.700 0.069 0.000 0.816 569 Q N 2.878 122.768 119.800 0.149 0.000 2.364 569 Q HA 0.454 4.800 4.340 0.009 0.000 0.257 569 Q C -2.136 173.762 176.000 -0.171 0.000 0.956 569 Q CA -0.461 55.326 55.803 -0.027 0.000 0.924 569 Q CB 0.801 29.544 28.738 0.008 0.000 1.413 569 Q HN 0.173 nan 8.270 nan 0.000 0.418 570 L N 3.515 124.372 121.223 -0.611 0.000 2.358 570 L HA 0.749 5.094 4.340 0.009 0.000 0.268 570 L C -0.895 175.693 176.870 -0.470 0.000 1.032 570 L CA -0.152 54.515 54.840 -0.287 0.000 0.805 570 L CB 1.075 43.085 42.059 -0.082 0.000 1.253 570 L HN 0.762 nan 8.230 nan 0.000 0.452 571 F N 0.369 120.329 119.950 0.017 0.000 2.664 571 F HA 0.670 5.202 4.527 0.009 0.000 0.317 571 F C -0.466 175.404 175.800 0.116 0.000 1.108 571 F CA -0.948 57.116 58.000 0.106 0.000 0.957 571 F CB 1.826 40.929 39.000 0.172 0.000 1.365 571 F HN 0.205 nan 8.300 nan 0.000 0.475 572 K N 0.955 121.589 120.400 0.390 0.000 2.523 572 K HA 0.622 4.947 4.320 0.009 0.000 0.257 572 K C -2.175 174.638 176.600 0.355 0.000 0.932 572 K CA -0.370 56.115 56.287 0.330 0.000 0.812 572 K CB 1.550 34.210 32.500 0.267 0.000 1.326 572 K HN 0.624 nan 8.250 nan 0.000 0.433 573 L N 5.600 127.081 121.223 0.430 0.000 2.255 573 L HA 0.380 4.725 4.340 0.009 0.000 0.289 573 L C 0.685 177.648 176.870 0.155 0.000 1.046 573 L CA -0.631 54.316 54.840 0.179 0.000 0.816 573 L CB 0.965 42.915 42.059 -0.182 0.000 1.197 573 L HN 0.658 nan 8.230 nan 0.000 0.427 574 K N 2.267 122.725 120.400 0.097 0.000 3.860 574 K HA 0.262 4.587 4.320 0.009 0.000 0.165 574 K C 0.024 176.595 176.600 -0.047 0.000 1.146 574 K CA -0.410 55.899 56.287 0.037 0.000 1.673 574 K CB 0.136 32.652 32.500 0.027 0.000 2.306 574 K HN 0.450 nan 8.250 nan 0.000 0.504 575 E N 1.262 121.390 120.200 -0.121 0.000 2.417 575 E HA -0.017 4.339 4.350 0.009 0.000 0.261 575 E C -0.790 175.681 176.600 -0.215 0.000 1.000 575 E CA 0.194 56.382 56.400 -0.353 0.000 0.919 575 E CB -0.104 29.314 29.700 -0.470 0.000 0.955 575 E HN 0.222 nan 8.360 nan 0.000 0.455 576 F N 1.150 121.094 119.950 -0.010 0.000 3.057 576 F HA -0.303 4.229 4.527 0.009 0.000 0.287 576 F C 0.942 176.715 175.800 -0.044 0.000 0.834 576 F CA 0.835 58.821 58.000 -0.023 0.000 1.147 576 F CB -2.771 36.220 39.000 -0.016 0.000 1.245 576 F HN 0.535 nan 8.300 nan 0.000 0.509 577 S N -2.305 113.418 115.700 0.039 0.000 3.476 577 S HA -0.231 4.244 4.470 0.009 0.000 0.309 577 S C 0.693 175.290 174.600 -0.005 0.000 1.222 577 S CA 1.138 59.306 58.200 -0.053 0.000 0.922 577 S CB -0.586 62.528 63.200 -0.143 0.000 1.023 577 S HN 0.454 nan 8.310 nan 0.000 0.591 578 K N 1.186 121.635 120.400 0.081 0.000 2.126 578 K HA 0.688 5.014 4.320 0.009 0.000 0.257 578 K C 0.445 177.123 176.600 0.129 0.000 1.007 578 K CA 0.087 56.444 56.287 0.117 0.000 0.928 578 K CB 0.687 33.255 32.500 0.113 0.000 1.013 578 K HN 0.331 nan 8.250 nan 0.000 0.473 579 A N 1.978 124.899 122.820 0.167 0.000 2.310 579 A HA 0.435 4.760 4.320 0.009 0.000 0.299 579 A C -0.391 177.310 177.584 0.195 0.000 1.147 579 A CA -0.334 51.847 52.037 0.242 0.000 0.818 579 A CB 0.490 19.729 19.000 0.398 0.000 1.096 579 A HN 0.691 nan 8.150 nan 0.000 0.495 580 E N 0.164 120.535 120.200 0.286 0.000 2.393 580 E HA 0.565 4.921 4.350 0.009 0.000 0.273 580 E C -0.691 176.053 176.600 0.240 0.000 0.918 580 E CA -1.037 55.491 56.400 0.213 0.000 0.773 580 E CB 2.225 32.000 29.700 0.125 0.000 1.275 580 E HN 0.836 nan 8.360 nan 0.000 0.451 581 A N 1.763 124.608 122.820 0.043 0.000 2.454 581 A HA 0.111 4.436 4.320 0.009 0.000 0.260 581 A C 0.344 177.880 177.584 -0.081 0.000 1.106 581 A CA 0.051 51.939 52.037 -0.247 0.000 0.780 581 A CB -0.346 18.496 19.000 -0.264 0.000 1.044 581 A HN 0.864 nan 8.150 nan 0.000 0.498 582 F N 2.840 122.593 119.950 -0.329 0.000 2.161 582 F HA 0.036 4.568 4.527 0.009 0.000 0.300 582 F C 0.352 176.220 175.800 0.113 0.000 1.089 582 F CA 1.134 59.084 58.000 -0.083 0.000 1.282 582 F CB 0.046 38.996 39.000 -0.082 0.000 1.010 582 F HN 0.659 nan 8.300 nan 0.000 0.485 583 F N -1.880 118.105 119.950 0.058 0.000 2.626 583 F HA 0.603 5.135 4.527 0.009 0.000 0.311 583 F C -3.023 172.801 175.800 0.040 0.000 1.088 583 F CA -3.923 54.116 58.000 0.066 0.000 0.949 583 F CB -0.554 38.523 39.000 0.129 0.000 1.322 583 F HN -0.384 nan 8.300 nan 0.000 0.461 584 P HA -0.155 nan 4.420 nan 0.000 0.258 584 P C -0.716 176.727 177.300 0.238 0.000 1.136 584 P CA 0.795 64.058 63.100 0.272 0.000 0.761 584 P CB 0.082 31.971 31.700 0.313 0.000 0.724 585 N N 3.392 122.142 118.700 0.082 0.000 2.406 585 N HA 0.028 4.773 4.740 0.009 0.000 0.269 585 N C 1.285 176.867 175.510 0.121 0.000 1.210 585 N CA -0.252 52.818 53.050 0.033 0.000 0.966 585 N CB 0.090 38.582 38.487 0.009 0.000 1.293 585 N HN 0.388 nan 8.380 nan 0.000 0.491 586 M N 1.968 121.673 119.600 0.175 0.000 2.374 586 M HA -0.107 4.378 4.480 0.009 0.000 0.264 586 M C 1.698 178.080 176.300 0.137 0.000 1.067 586 M CA 0.790 56.203 55.300 0.189 0.000 1.103 586 M CB 0.107 32.858 32.600 0.251 0.000 1.402 586 M HN 0.389 nan 8.290 nan 0.000 0.444 587 V N 0.695 120.686 119.914 0.128 0.000 3.573 587 V HA -0.008 4.117 4.120 0.009 0.000 0.270 587 V C 0.706 176.848 176.094 0.079 0.000 1.221 587 V CA 0.863 63.227 62.300 0.105 0.000 1.163 587 V CB -0.566 31.339 31.823 0.136 0.000 0.847 587 V HN 0.371 nan 8.190 nan 0.000 0.468 588 N N 2.110 120.862 118.700 0.088 0.000 3.271 588 N HA 0.239 4.984 4.740 0.009 0.000 0.303 588 N C -0.219 175.334 175.510 0.072 0.000 1.415 588 N CA -0.227 52.870 53.050 0.078 0.000 1.159 588 N CB 0.109 38.648 38.487 0.086 0.000 1.432 588 N HN 0.641 nan 8.380 nan 0.000 0.521 589 M N -0.987 118.649 119.600 0.060 0.000 2.478 589 M HA 0.415 4.900 4.480 0.009 0.000 0.327 589 M C -0.369 175.958 176.300 0.045 0.000 1.187 589 M CA -0.846 54.481 55.300 0.045 0.000 1.022 589 M CB 1.884 34.499 32.600 0.025 0.000 1.629 589 M HN -0.060 nan 8.290 nan 0.000 0.461 590 L N 3.582 124.827 121.223 0.036 0.000 2.385 590 L HA 0.312 4.657 4.340 0.009 0.000 0.285 590 L C -1.065 175.826 176.870 0.036 0.000 1.125 590 L CA -0.603 54.262 54.840 0.041 0.000 0.890 590 L CB 0.512 42.594 42.059 0.037 0.000 1.251 590 L HN 0.652 nan 8.230 nan 0.000 0.445 591 V N 6.604 126.547 119.914 0.048 0.000 2.326 591 V HA 0.027 4.152 4.120 0.009 0.000 0.249 591 V C 0.452 176.572 176.094 0.043 0.000 1.114 591 V CA -0.252 62.078 62.300 0.050 0.000 1.028 591 V CB 0.694 32.558 31.823 0.068 0.000 1.170 591 V HN 0.497 nan 8.190 nan 0.000 0.494 592 L N 6.181 127.427 121.223 0.038 0.000 2.466 592 L HA 0.606 4.952 4.340 0.009 0.000 0.248 592 L C 1.098 177.967 176.870 -0.002 0.000 1.240 592 L CA 1.409 56.258 54.840 0.016 0.000 1.180 592 L CB -0.588 41.478 42.059 0.012 0.000 1.413 592 L HN 0.836 nan 8.230 nan 0.000 0.406 593 G N 2.228 111.029 108.800 0.002 0.000 2.652 593 G HA2 -0.378 3.588 3.960 0.009 0.000 0.278 593 G HA3 -0.378 3.588 3.960 0.009 0.000 0.278 593 G C 0.792 175.719 174.900 0.045 0.000 1.263 593 G CA 0.388 45.483 45.100 -0.007 0.000 0.966 593 G HN 0.596 nan 8.290 nan 0.000 0.544 594 K N 0.843 121.292 120.400 0.082 0.000 2.438 594 K HA 0.318 4.643 4.320 0.009 0.000 0.205 594 K C 0.028 176.806 176.600 0.296 0.000 1.033 594 K CA -0.028 56.360 56.287 0.169 0.000 1.089 594 K CB 0.077 32.674 32.500 0.162 0.000 0.857 594 K HN 0.730 nan 8.250 nan 0.000 0.522 595 H N 1.961 121.025 119.070 -0.010 0.000 2.673 595 H HA 0.272 4.833 4.556 0.009 0.000 0.293 595 H C -0.623 174.682 175.328 -0.039 0.000 1.065 595 H CA -0.932 55.099 56.048 -0.027 0.000 1.236 595 H CB 1.158 30.905 29.762 -0.025 0.000 1.389 595 H HN 0.053 nan 8.280 nan 0.000 0.481 596 L N 2.121 123.354 121.223 0.016 0.000 2.326 596 L HA 0.336 4.682 4.340 0.009 0.000 0.278 596 L C 1.065 177.875 176.870 -0.100 0.000 1.092 596 L CA -0.605 54.213 54.840 -0.036 0.000 0.810 596 L CB 0.916 42.934 42.059 -0.067 0.000 1.153 596 L HN 0.659 nan 8.230 nan 0.000 0.439 597 G N 4.458 113.216 108.800 -0.070 0.000 3.818 597 G HA2 0.505 4.470 3.960 0.009 0.000 0.338 597 G HA3 0.505 4.470 3.960 0.009 0.000 0.338 597 G C -0.053 174.793 174.900 -0.089 0.000 1.318 597 G CA -0.397 44.653 45.100 -0.084 0.000 1.242 597 G HN 0.465 nan 8.290 nan 0.000 0.493 598 I N 1.725 122.173 120.570 -0.204 0.000 2.529 598 I HA 0.163 4.338 4.170 0.009 0.000 0.284 598 I C -1.998 174.136 176.117 0.028 0.000 1.082 598 I CA -1.927 59.298 61.300 -0.124 0.000 1.406 598 I CB 1.611 39.450 38.000 -0.270 0.000 1.405 598 I HN 0.128 nan 8.210 nan 0.000 0.548 599 P HA 0.025 nan 4.420 nan 0.000 0.268 599 P C -0.770 176.692 177.300 0.270 0.000 1.205 599 P CA -0.265 62.943 63.100 0.180 0.000 0.771 599 P CB 0.474 32.274 31.700 0.167 0.000 0.858 600 K N 4.818 125.351 120.400 0.221 0.000 2.310 600 K HA 0.172 4.497 4.320 0.009 0.000 0.290 600 K C -2.051 174.544 176.600 -0.010 0.000 1.077 600 K CA -1.694 54.622 56.287 0.049 0.000 0.922 600 K CB 0.162 32.543 32.500 -0.199 0.000 1.057 600 K HN 0.335 nan 8.250 nan 0.000 0.479 601 P HA 0.082 nan 4.420 nan 0.000 0.262 601 P C -0.880 176.277 177.300 -0.239 0.000 1.620 601 P CA -0.453 62.591 63.100 -0.093 0.000 1.089 601 P CB 0.006 31.553 31.700 -0.255 0.000 1.601 602 F N 2.663 122.560 119.950 -0.087 0.000 2.624 602 F HA 0.193 4.726 4.527 0.009 0.000 0.352 602 F C 1.776 177.449 175.800 -0.211 0.000 1.275 602 F CA 0.639 58.578 58.000 -0.101 0.000 1.220 602 F CB -0.760 38.245 39.000 0.007 0.000 1.674 602 F HN 0.245 nan 8.300 nan 0.000 0.683 603 G N 1.595 110.249 108.800 -0.243 0.000 2.532 603 G HA2 0.442 4.407 3.960 0.009 0.000 0.291 603 G HA3 0.442 4.407 3.960 0.009 0.000 0.291 603 G C -2.721 172.007 174.900 -0.287 0.000 1.349 603 G CA -1.832 43.069 45.100 -0.333 0.000 1.038 603 G HN 0.088 nan 8.290 nan 0.000 0.518 604 P HA 0.115 nan 4.420 nan 0.000 0.257 604 P C -0.209 176.955 177.300 -0.228 0.000 1.189 604 P CA -0.096 62.808 63.100 -0.326 0.000 0.780 604 P CB 0.582 31.990 31.700 -0.487 0.000 0.772 605 V N 6.703 126.519 119.914 -0.163 0.000 2.387 605 V HA 0.082 4.207 4.120 0.009 0.000 0.260 605 V C 0.607 176.646 176.094 -0.092 0.000 1.054 605 V CA 0.244 62.470 62.300 -0.124 0.000 0.967 605 V CB -0.238 31.533 31.823 -0.086 0.000 1.036 605 V HN 0.359 nan 8.190 nan 0.000 0.481 606 I N 4.266 124.768 120.570 -0.112 0.000 2.362 606 I HA 0.367 4.542 4.170 0.009 0.000 0.289 606 I C 0.688 176.764 176.117 -0.068 0.000 0.994 606 I CA -0.060 61.185 61.300 -0.092 0.000 1.158 606 I CB 0.888 38.735 38.000 -0.256 0.000 1.315 606 I HN 0.714 nan 8.210 nan 0.000 0.451 607 N N 4.929 123.625 118.700 -0.007 0.000 2.756 607 N HA -0.203 4.542 4.740 0.009 0.000 0.248 607 N C 1.050 176.541 175.510 -0.031 0.000 1.062 607 N CA 0.471 53.515 53.050 -0.010 0.000 0.696 607 N CB -0.548 37.927 38.487 -0.020 0.000 0.946 607 N HN 1.196 nan 8.380 nan 0.000 0.548 608 G N -0.259 108.521 108.800 -0.033 0.000 2.196 608 G HA2 -0.362 3.603 3.960 0.009 0.000 0.268 608 G HA3 -0.362 3.603 3.960 0.009 0.000 0.268 608 G C 0.092 174.954 174.900 -0.064 0.000 0.975 608 G CA 0.936 46.011 45.100 -0.041 0.000 0.648 608 G HN 0.560 nan 8.290 nan 0.000 0.538 609 R N -0.447 120.003 120.500 -0.082 0.000 2.532 609 R HA 0.441 4.787 4.340 0.009 0.000 0.297 609 R C 0.358 176.567 176.300 -0.152 0.000 0.984 609 R CA -0.280 55.751 56.100 -0.115 0.000 0.884 609 R CB 1.043 31.282 30.300 -0.101 0.000 1.182 609 R HN 0.486 nan 8.270 nan 0.000 0.442 610 C N 5.877 125.057 119.300 -0.200 0.000 2.517 610 C HA -0.021 4.444 4.460 0.009 0.000 0.403 610 C C 2.364 177.222 174.990 -0.221 0.000 1.467 610 C CA -0.421 58.453 59.018 -0.240 0.000 1.542 610 C CB -1.428 26.111 27.740 -0.335 0.000 2.482 610 C HN 1.016 nan 8.230 nan 0.000 0.610 611 C N 4.493 123.681 119.300 -0.185 0.000 2.410 611 C HA -0.096 4.370 4.460 0.009 0.000 0.281 611 C C 2.228 177.161 174.990 -0.096 0.000 1.318 611 C CA 0.918 59.858 59.018 -0.131 0.000 1.776 611 C CB -1.897 25.774 27.740 -0.115 0.000 1.942 611 C HN 0.921 nan 8.230 nan 0.000 0.508 612 L N 0.835 121.980 121.223 -0.129 0.000 2.023 612 L HA -0.082 4.264 4.340 0.009 0.000 0.205 612 L C 3.049 179.818 176.870 -0.168 0.000 1.073 612 L CA 2.050 56.818 54.840 -0.120 0.000 0.745 612 L CB -0.826 41.100 42.059 -0.222 0.000 0.900 612 L HN 0.348 nan 8.230 nan 0.000 0.435 613 E N 0.069 120.055 120.200 -0.356 0.000 2.070 613 E HA -0.303 4.052 4.350 0.009 0.000 0.197 613 E C 2.193 178.645 176.600 -0.246 0.000 1.004 613 E CA 1.539 57.570 56.400 -0.615 0.000 0.805 613 E CB 0.028 29.184 29.700 -0.906 0.000 0.744 613 E HN 0.258 nan 8.360 nan 0.000 0.451 614 E N 0.663 120.754 120.200 -0.181 0.000 2.085 614 E HA -0.239 4.117 4.350 0.009 0.000 0.194 614 E C 1.956 178.541 176.600 -0.025 0.000 0.994 614 E CA 1.354 57.704 56.400 -0.082 0.000 0.801 614 E CB -0.083 29.562 29.700 -0.091 0.000 0.743 614 E HN 0.010 nan 8.360 nan 0.000 0.453 615 K N 0.300 120.686 120.400 -0.023 0.000 2.097 615 K HA -0.055 4.270 4.320 0.009 0.000 0.205 615 K C 2.111 178.741 176.600 0.049 0.000 1.050 615 K CA 1.115 57.411 56.287 0.015 0.000 0.938 615 K CB -0.544 31.969 32.500 0.021 0.000 0.718 615 K HN -0.013 nan 8.250 nan 0.000 0.442 616 V N 0.205 120.165 119.914 0.077 0.000 2.343 616 V HA -0.315 3.810 4.120 0.009 0.000 0.247 616 V C 2.369 178.542 176.094 0.132 0.000 1.051 616 V CA 1.919 64.301 62.300 0.137 0.000 1.036 616 V CB -0.505 31.467 31.823 0.248 0.000 0.654 616 V HN 0.472 nan 8.190 nan 0.000 0.451 617 C N 0.578 119.963 119.300 0.142 0.000 2.435 617 C HA -0.088 4.377 4.460 0.009 0.000 0.279 617 C C 3.059 178.085 174.990 0.059 0.000 1.321 617 C CA 1.111 60.193 59.018 0.107 0.000 1.752 617 C CB -1.209 26.598 27.740 0.112 0.000 1.959 617 C HN 0.741 nan 8.230 nan 0.000 0.500 618 S N 0.254 115.983 115.700 0.047 0.000 2.555 618 S HA 0.066 4.542 4.470 0.009 0.000 0.230 618 S C 1.372 175.993 174.600 0.035 0.000 0.978 618 S CA 0.998 59.217 58.200 0.032 0.000 0.934 618 S CB -0.449 62.764 63.200 0.023 0.000 0.766 618 S HN 0.660 nan 8.310 nan 0.000 0.533 619 L N -0.595 120.655 121.223 0.045 0.000 2.500 619 L HA 0.363 4.708 4.340 0.009 0.000 0.219 619 L C 2.100 178.996 176.870 0.043 0.000 1.057 619 L CA 0.336 55.202 54.840 0.044 0.000 0.854 619 L CB -0.069 42.022 42.059 0.054 0.000 1.078 619 L HN 0.270 nan 8.230 nan 0.000 0.480 620 L N -1.131 120.120 121.223 0.047 0.000 2.286 620 L HA 0.058 4.403 4.340 0.009 0.000 0.203 620 L C 2.206 179.094 176.870 0.030 0.000 1.068 620 L CA 0.446 55.310 54.840 0.040 0.000 0.811 620 L CB -0.274 41.809 42.059 0.040 0.000 0.989 620 L HN 0.099 nan 8.230 nan 0.000 0.467 621 E N 1.066 121.281 120.200 0.026 0.000 2.114 621 E HA -0.208 4.147 4.350 0.009 0.000 0.199 621 E C -0.906 175.703 176.600 0.016 0.000 1.008 621 E CA 1.508 57.917 56.400 0.015 0.000 0.810 621 E CB -0.895 28.813 29.700 0.014 0.000 0.739 621 E HN 0.437 nan 8.360 nan 0.000 0.456 622 P HA -0.118 nan 4.420 nan 0.000 0.236 622 P C 0.711 178.022 177.300 0.018 0.000 1.172 622 P CA 1.050 64.160 63.100 0.016 0.000 0.759 622 P CB 0.071 31.781 31.700 0.016 0.000 0.843 623 L N -2.237 118.999 121.223 0.023 0.000 2.664 623 L HA 0.321 4.667 4.340 0.009 0.000 0.233 623 L C 1.639 178.527 176.870 0.031 0.000 1.113 623 L CA 0.733 55.590 54.840 0.028 0.000 0.896 623 L CB -0.096 41.985 42.059 0.037 0.000 1.163 623 L HN 0.098 nan 8.230 nan 0.000 0.497 624 G N -0.278 108.537 108.800 0.025 0.000 2.218 624 G HA2 -0.195 3.770 3.960 0.009 0.000 0.216 624 G HA3 -0.195 3.770 3.960 0.009 0.000 0.216 624 G C 0.186 175.099 174.900 0.022 0.000 0.994 624 G CA -0.541 44.574 45.100 0.025 0.000 0.637 624 G HN 0.005 nan 8.290 nan 0.000 0.505 625 L N 1.287 122.523 121.223 0.021 0.000 2.453 625 L HA 0.345 4.691 4.340 0.009 0.000 0.272 625 L C 0.836 177.678 176.870 -0.046 0.000 1.182 625 L CA 0.621 55.466 54.840 0.009 0.000 0.858 625 L CB 0.821 42.891 42.059 0.018 0.000 1.120 625 L HN 0.429 nan 8.230 nan 0.000 0.474 626 Q N 2.482 122.213 119.800 -0.115 0.000 2.430 626 Q HA 0.247 4.593 4.340 0.009 0.000 0.245 626 Q C -1.020 174.867 176.000 -0.187 0.000 1.021 626 Q CA -0.511 55.171 55.803 -0.201 0.000 0.867 626 Q CB 0.890 29.358 28.738 -0.449 0.000 1.210 626 Q HN 0.724 nan 8.270 nan 0.000 0.487 627 C N 2.699 121.908 119.300 -0.151 0.000 2.536 627 C HA 0.609 5.074 4.460 0.009 0.000 0.396 627 C C 0.621 175.414 174.990 -0.329 0.000 1.279 627 C CA -0.410 58.452 59.018 -0.261 0.000 2.148 627 C CB 0.339 27.939 27.740 -0.232 0.000 2.584 627 C HN 0.784 nan 8.230 nan 0.000 0.579 628 T N 1.645 115.891 114.554 -0.513 0.000 3.071 628 T HA 0.588 4.943 4.350 0.009 0.000 0.311 628 T C -1.159 173.210 174.700 -0.551 0.000 1.042 628 T CA -0.422 61.454 62.100 -0.373 0.000 1.028 628 T CB 0.352 69.131 68.868 -0.149 0.000 1.068 628 T HN 0.345 nan 8.240 nan 0.000 0.451 629 F N 5.316 125.244 119.950 -0.036 0.000 2.391 629 F HA 0.550 5.082 4.527 0.009 0.000 0.359 629 F C 0.600 176.383 175.800 -0.029 0.000 1.122 629 F CA -1.340 56.634 58.000 -0.043 0.000 1.120 629 F CB 0.682 39.623 39.000 -0.099 0.000 1.142 629 F HN 0.390 nan 8.300 nan 0.000 0.483 630 I N 1.842 122.473 120.570 0.102 0.000 2.677 630 I HA 0.155 4.330 4.170 0.009 0.000 0.305 630 I C 0.400 176.605 176.117 0.148 0.000 0.988 630 I CA -0.790 60.569 61.300 0.099 0.000 1.260 630 I CB 1.187 39.229 38.000 0.070 0.000 1.410 630 I HN 0.495 nan 8.210 nan 0.000 0.523 631 N N 2.822 121.620 118.700 0.164 0.000 3.131 631 N HA 0.012 4.757 4.740 0.009 0.000 0.312 631 N C 0.104 175.721 175.510 0.178 0.000 1.433 631 N CA -0.147 53.051 53.050 0.247 0.000 1.141 631 N CB -0.176 38.482 38.487 0.286 0.000 1.431 631 N HN 0.475 nan 8.380 nan 0.000 0.523 646 G N 2.880 111.713 108.800 0.055 0.000 2.428 646 G HA2 0.487 4.452 3.960 0.009 0.000 0.293 646 G HA3 0.487 4.452 3.960 0.009 0.000 0.293 646 G C 0.190 175.130 174.900 0.067 0.000 1.059 646 G CA 1.039 46.173 45.100 0.057 0.000 1.194 646 G HN 1.169 nan 8.290 nan 0.000 0.435 647 T N -0.288 114.312 114.554 0.078 0.000 3.172 647 T HA 0.469 4.824 4.350 0.009 0.000 0.320 647 T C -0.613 174.155 174.700 0.112 0.000 1.085 647 T CA -1.068 61.089 62.100 0.096 0.000 1.052 647 T CB 1.707 70.623 68.868 0.080 0.000 1.107 647 T HN 0.317 nan 8.240 nan 0.000 0.458 648 N N 0.595 119.388 118.700 0.156 0.000 2.483 648 N HA 0.791 5.536 4.740 0.009 0.000 0.285 648 N C -1.214 174.433 175.510 0.229 0.000 1.210 648 N CA -0.804 52.347 53.050 0.168 0.000 0.931 648 N CB 1.972 40.538 38.487 0.133 0.000 1.220 648 N HN 0.574 nan 8.380 nan 0.000 0.542 649 V N 1.272 121.309 119.914 0.205 0.000 2.516 649 V HA 0.292 4.417 4.120 0.009 0.000 0.271 649 V C -0.413 175.793 176.094 0.186 0.000 0.992 649 V CA -0.738 61.673 62.300 0.186 0.000 0.857 649 V CB 0.886 32.771 31.823 0.104 0.000 1.047 649 V HN 0.566 nan 8.190 nan 0.000 0.455 650 R N 4.443 125.116 120.500 0.289 0.000 2.404 650 R HA 0.316 4.661 4.340 0.009 0.000 0.315 650 R C -0.179 176.182 176.300 0.100 0.000 1.032 650 R CA 0.268 56.504 56.100 0.227 0.000 0.992 650 R CB 0.285 30.818 30.300 0.388 0.000 0.959 650 R HN 0.629 nan 8.270 nan 0.000 0.428 651 R N 2.742 123.261 120.500 0.031 0.000 2.778 651 R HA 0.221 4.566 4.340 0.009 0.000 0.277 651 R C -0.447 175.789 176.300 -0.108 0.000 0.977 651 R CA -1.073 55.003 56.100 -0.040 0.000 0.950 651 R CB 1.435 31.698 30.300 -0.062 0.000 1.165 651 R HN 0.328 nan 8.270 nan 0.000 0.474 652 K N 2.516 122.828 120.400 -0.148 0.000 2.472 652 K HA 0.040 4.365 4.320 0.009 0.000 0.280 652 K C -2.340 174.057 176.600 -0.339 0.000 1.028 652 K CA -0.715 55.447 56.287 -0.208 0.000 1.045 652 K CB 0.342 32.739 32.500 -0.172 0.000 0.902 652 K HN 0.141 nan 8.250 nan 0.000 0.478 653 P HA -0.003 nan 4.420 nan 0.000 0.270 653 P C -0.693 176.351 177.300 -0.428 0.000 1.223 653 P CA -0.043 62.595 63.100 -0.769 0.000 0.785 653 P CB 0.332 31.207 31.700 -1.375 0.000 0.923 654 F N 0.237 120.114 119.950 -0.122 0.000 2.553 654 F HA -0.020 4.512 4.527 0.008 0.000 0.356 654 F C 1.992 177.792 175.800 -0.000 0.000 1.142 654 F CA 0.831 58.843 58.000 0.021 0.000 1.322 654 F CB -0.059 39.028 39.000 0.144 0.000 1.126 654 F HN 0.294 nan 8.300 nan 0.000 0.599 655 S N 1.809 117.641 115.700 0.220 0.000 2.406 655 S HA -0.118 4.357 4.470 0.009 0.000 0.228 655 S C 0.472 175.133 174.600 0.102 0.000 1.020 655 S CA 0.172 58.435 58.200 0.106 0.000 0.965 655 S CB -0.277 62.974 63.200 0.084 0.000 0.798 655 S HN 0.470 nan 8.310 nan 0.000 0.488 656 F N 4.026 124.000 119.950 0.040 0.000 2.533 656 F HA 0.118 4.650 4.527 0.009 0.000 0.378 656 F C 0.269 175.965 175.800 -0.174 0.000 1.070 656 F CA -0.570 57.388 58.000 -0.071 0.000 1.172 656 F CB 0.407 39.368 39.000 -0.065 0.000 1.085 656 F HN -0.214 nan 8.300 nan 0.000 0.552 657 K N 8.417 128.526 120.400 -0.485 0.000 2.383 657 K HA -0.112 4.213 4.320 0.009 0.000 0.286 657 K C 1.161 177.343 176.600 -0.696 0.000 1.051 657 K CA -0.174 55.530 56.287 -0.972 0.000 0.974 657 K CB 0.240 31.640 32.500 -1.832 0.000 0.968 657 K HN 0.868 nan 8.250 nan 0.000 0.475 658 W N 3.734 124.874 121.300 -0.267 0.000 2.331 658 W HA -0.233 4.432 4.660 0.008 0.000 0.291 658 W C 0.901 177.609 176.519 0.315 0.000 1.214 658 W CA 0.859 58.269 57.345 0.108 0.000 1.228 658 W CB -0.979 28.585 29.460 0.173 0.000 1.135 658 W HN 0.754 nan 8.180 nan 0.000 0.537 659 W N 1.925 122.764 121.300 -0.769 0.000 3.077 659 W HA 0.212 4.877 4.660 0.009 0.000 0.245 659 W C 0.861 177.352 176.519 -0.045 0.000 1.316 659 W CA 0.554 57.525 57.345 -0.624 0.000 1.537 659 W CB -1.809 26.931 29.460 -1.201 0.000 1.131 659 W HN -0.123 nan 8.180 nan 0.000 0.695 660 N N 0.233 118.873 118.700 -0.100 0.000 2.236 660 N HA 0.088 4.833 4.740 0.009 0.000 0.196 660 N C 0.888 176.615 175.510 0.362 0.000 1.114 660 N CA -0.332 52.721 53.050 0.006 0.000 0.859 660 N CB 0.068 38.249 38.487 -0.510 0.000 0.982 660 N HN 0.113 nan 8.380 nan 0.000 0.493 661 M N 1.122 121.029 119.600 0.512 0.000 2.055 661 M HA 0.156 4.641 4.480 0.009 0.000 0.279 661 M C -0.245 176.191 176.300 0.227 0.000 1.236 661 M CA 0.129 55.627 55.300 0.330 0.000 1.074 661 M CB 0.793 33.523 32.600 0.216 0.000 1.394 661 M HN -0.099 nan 8.290 nan 0.000 0.492 662 V N 0.045 119.945 119.914 -0.023 0.000 2.703 662 V HA 0.436 4.561 4.120 0.009 0.000 0.290 662 V C -2.474 173.432 176.094 -0.315 0.000 1.035 662 V CA -1.438 60.788 62.300 -0.123 0.000 1.185 662 V CB -0.925 30.874 31.823 -0.040 0.000 1.178 662 V HN 0.706 nan 8.190 nan 0.000 0.562 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.819 63.100 -0.468 0.000 0.800 663 P CB 0.000 31.281 31.700 -0.698 0.000 0.726