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 3apn_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQGTLIRVTP EQPTHAVCVL GTLTQLDICS SAPXXCTSFS INASPGVVVD DATA SEQUENCE IAHXXXXXXX XXXXSTWPLD PGVEVTLTMK AASGSTGDQK VQISYYGPKT DATA SEQUENCE PPVKALLYLT AVEISLCADI 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 0.000 177.603 177.584 0.032 0.000 1.274 2 A CA 0.000 52.052 52.037 0.025 0.000 0.836 2 A CB 0.000 19.020 19.000 0.033 0.000 0.831 3 Q N -0.858 118.971 119.800 0.048 0.000 2.387 3 Q HA 0.680 5.020 4.340 0.000 0.000 0.273 3 Q C -0.162 175.886 176.000 0.079 0.000 1.089 3 Q CA 0.347 56.182 55.803 0.053 0.000 0.824 3 Q CB 1.917 30.683 28.738 0.046 0.000 1.367 3 Q HN 2.116 nan 8.270 nan 0.000 0.443 4 G N 0.220 109.064 108.800 0.073 0.000 2.435 4 G HA2 0.356 4.316 3.960 0.000 0.000 0.228 4 G HA3 0.356 4.316 3.960 0.000 0.000 0.228 4 G C -1.273 173.673 174.900 0.076 0.000 1.198 4 G CA 0.060 45.215 45.100 0.091 0.000 0.948 4 G HN 0.708 nan 8.290 nan 0.000 0.487 5 T N -1.224 113.372 114.554 0.070 0.000 2.905 5 T HA 0.709 5.059 4.350 0.000 0.000 0.283 5 T C -1.682 173.042 174.700 0.041 0.000 1.031 5 T CA -0.410 61.725 62.100 0.059 0.000 1.002 5 T CB 1.510 70.421 68.868 0.071 0.000 1.200 5 T HN 1.099 nan 8.240 nan 0.000 0.560 6 L N 2.504 123.748 121.223 0.035 0.000 2.404 6 L HA 0.647 4.987 4.340 0.000 0.000 0.272 6 L C -1.208 175.674 176.870 0.021 0.000 0.980 6 L CA -0.463 54.391 54.840 0.023 0.000 0.836 6 L CB 1.025 43.095 42.059 0.019 0.000 1.238 6 L HN 0.635 nan 8.230 nan 0.000 0.408 7 I N 4.625 125.203 120.570 0.014 0.000 2.385 7 I HA 0.433 4.603 4.170 0.000 0.000 0.294 7 I C -0.034 176.084 176.117 0.001 0.000 0.988 7 I CA -0.645 60.663 61.300 0.013 0.000 1.265 7 I CB 1.177 39.183 38.000 0.010 0.000 1.388 7 I HN 0.539 nan 8.210 nan 0.000 0.480 8 R N 5.458 125.961 120.500 0.006 0.000 2.310 8 R HA 0.489 4.829 4.340 0.000 0.000 0.324 8 R C -0.802 175.499 176.300 0.001 0.000 0.955 8 R CA -0.622 55.478 56.100 -0.001 0.000 0.830 8 R CB 1.600 31.902 30.300 0.003 0.000 1.154 8 R HN 0.516 nan 8.270 nan 0.000 0.458 9 V N -0.396 119.517 119.914 -0.002 0.000 2.732 9 V HA 0.821 4.941 4.120 0.000 0.000 0.310 9 V C 0.109 176.214 176.094 0.019 0.000 1.053 9 V CA -0.527 61.778 62.300 0.008 0.000 0.957 9 V CB 1.834 33.660 31.823 0.005 0.000 1.018 9 V HN 0.880 nan 8.190 nan 0.000 0.452 10 T N -0.004 114.551 114.554 0.002 0.000 2.883 10 T HA 0.651 5.001 4.350 0.000 0.000 0.301 10 T C -2.577 172.077 174.700 -0.076 0.000 1.158 10 T CA -1.661 60.407 62.100 -0.053 0.000 1.007 10 T CB 1.965 70.801 68.868 -0.054 0.000 1.186 10 T HN 0.421 nan 8.240 nan 0.000 0.499 11 P HA 0.114 nan 4.420 nan 0.000 0.227 11 P C 1.295 178.547 177.300 -0.080 0.000 1.161 11 P CA 0.413 63.419 63.100 -0.156 0.000 0.788 11 P CB 0.231 31.758 31.700 -0.288 0.000 0.822 12 E N 0.963 121.117 120.200 -0.076 0.000 2.002 12 E HA -0.205 4.145 4.350 0.000 0.000 0.213 12 E C 0.871 177.463 176.600 -0.012 0.000 1.024 12 E CA 1.576 57.952 56.400 -0.040 0.000 0.876 12 E CB -0.280 29.399 29.700 -0.034 0.000 0.799 12 E HN 0.274 nan 8.360 nan 0.000 0.497 13 Q N -0.750 119.052 119.800 0.003 0.000 2.668 13 Q HA 0.555 4.895 4.340 0.000 0.000 0.298 13 Q C -2.532 173.493 176.000 0.042 0.000 1.071 13 Q CA -2.184 53.639 55.803 0.033 0.000 0.789 13 Q CB 1.989 30.755 28.738 0.047 0.000 1.497 13 Q HN 0.082 nan 8.270 nan 0.000 0.460 14 P HA 0.167 nan 4.420 nan 0.000 0.281 14 P C -0.854 176.521 177.300 0.126 0.000 1.249 14 P CA -0.155 62.975 63.100 0.050 0.000 0.810 14 P CB 1.218 32.976 31.700 0.097 0.000 1.008 15 T N 1.731 116.304 114.554 0.031 0.000 2.823 15 T HA 0.393 4.743 4.350 0.000 0.000 0.279 15 T C -0.481 174.266 174.700 0.079 0.000 0.998 15 T CA -0.247 61.918 62.100 0.108 0.000 0.994 15 T CB 0.342 69.232 68.868 0.037 0.000 0.960 15 T HN 0.384 nan 8.240 nan 0.000 0.448 16 H N 0.711 119.843 119.070 0.104 0.000 2.472 16 H HA 0.804 5.361 4.556 0.000 0.000 0.338 16 H C -0.154 175.237 175.328 0.104 0.000 1.133 16 H CA -0.355 55.779 56.048 0.143 0.000 1.216 16 H CB 1.541 31.390 29.762 0.145 0.000 1.497 16 H HN 0.928 nan 8.280 nan 0.000 0.500 17 A N 1.747 124.678 122.820 0.185 0.000 2.608 17 A HA 0.578 4.898 4.320 0.000 0.000 0.292 17 A C -1.459 176.194 177.584 0.116 0.000 1.066 17 A CA -0.647 51.474 52.037 0.140 0.000 0.676 17 A CB 0.790 19.842 19.000 0.088 0.000 1.277 17 A HN 0.432 nan 8.150 nan 0.000 0.413 18 V N -0.591 119.386 119.914 0.104 0.000 2.713 18 V HA 0.637 4.757 4.120 0.000 0.000 0.307 18 V C -0.262 175.830 176.094 -0.003 0.000 1.052 18 V CA -0.530 61.799 62.300 0.048 0.000 0.967 18 V CB 1.472 33.319 31.823 0.040 0.000 1.019 18 V HN 1.041 nan 8.190 nan 0.000 0.459 19 C N 2.640 121.900 119.300 -0.067 0.000 2.446 19 C HA 0.569 5.029 4.460 0.000 0.000 0.329 19 C C -0.089 174.790 174.990 -0.184 0.000 1.166 19 C CA -0.766 58.199 59.018 -0.088 0.000 1.341 19 C CB 1.178 28.882 27.740 -0.060 0.000 1.970 19 C HN 0.645 nan 8.230 nan 0.000 0.452 20 V N 4.484 124.242 119.914 -0.260 0.000 2.546 20 V HA 0.259 4.379 4.120 0.000 0.000 0.284 20 V C 0.152 176.071 176.094 -0.292 0.000 1.050 20 V CA -0.482 61.551 62.300 -0.445 0.000 0.981 20 V CB 1.052 32.267 31.823 -1.014 0.000 0.990 20 V HN 0.604 nan 8.190 nan 0.000 0.474 21 L N 4.494 125.567 121.223 -0.250 0.000 2.462 21 L HA 0.479 4.819 4.340 0.000 0.000 0.272 21 L C 1.207 178.009 176.870 -0.113 0.000 1.166 21 L CA 1.688 56.439 54.840 -0.148 0.000 0.880 21 L CB -0.062 41.923 42.059 -0.124 0.000 1.142 21 L HN 1.024 nan 8.230 nan 0.000 0.473 22 G N 1.514 110.278 108.800 -0.060 0.000 2.192 22 G HA2 -0.199 3.761 3.960 0.000 0.000 0.193 22 G HA3 -0.199 3.761 3.960 0.000 0.000 0.193 22 G C 0.276 175.189 174.900 0.021 0.000 0.999 22 G CA 0.096 45.187 45.100 -0.014 0.000 0.659 22 G HN 0.836 nan 8.290 nan 0.000 0.503 23 T N -1.257 113.303 114.554 0.010 0.000 2.950 23 T HA 0.743 5.094 4.350 0.000 0.000 0.288 23 T C -0.132 174.586 174.700 0.029 0.000 1.035 23 T CA -0.949 61.182 62.100 0.053 0.000 1.028 23 T CB 2.586 71.511 68.868 0.095 0.000 1.109 23 T HN 0.637 nan 8.240 nan 0.000 0.514 24 L N 2.430 123.678 121.223 0.042 0.000 2.257 24 L HA 0.417 4.758 4.340 0.000 0.000 0.290 24 L C -0.591 176.297 176.870 0.030 0.000 1.044 24 L CA -0.142 54.716 54.840 0.029 0.000 0.810 24 L CB 0.601 42.678 42.059 0.030 0.000 1.193 24 L HN 0.952 nan 8.230 nan 0.000 0.425 25 T N 5.313 119.878 114.554 0.019 0.000 2.781 25 T HA 0.385 4.735 4.350 0.000 0.000 0.305 25 T C 0.118 174.828 174.700 0.015 0.000 1.001 25 T CA -0.354 61.757 62.100 0.018 0.000 0.950 25 T CB 0.854 69.727 68.868 0.008 0.000 0.955 25 T HN 0.560 nan 8.240 nan 0.000 0.471 26 Q N 1.942 121.753 119.800 0.018 0.000 2.260 26 Q HA 0.616 4.956 4.340 0.000 0.000 0.242 26 Q C -0.911 175.092 176.000 0.004 0.000 0.932 26 Q CA -0.891 54.920 55.803 0.014 0.000 0.891 26 Q CB 1.292 30.040 28.738 0.017 0.000 1.222 26 Q HN 0.383 nan 8.270 nan 0.000 0.453 27 L N 1.633 122.852 121.223 -0.006 0.000 2.376 27 L HA 0.283 4.623 4.340 0.000 0.000 0.275 27 L C -1.323 175.519 176.870 -0.047 0.000 0.987 27 L CA -0.409 54.416 54.840 -0.026 0.000 0.828 27 L CB 1.836 43.874 42.059 -0.036 0.000 1.249 27 L HN 0.505 nan 8.230 nan 0.000 0.409 28 D N 4.135 124.508 120.400 -0.045 0.000 2.359 28 D HA 0.295 4.936 4.640 0.000 0.000 0.230 28 D C 0.726 176.976 176.300 -0.083 0.000 1.118 28 D CA 0.079 54.046 54.000 -0.055 0.000 0.844 28 D CB 0.873 41.657 40.800 -0.028 0.000 1.059 28 D HN 0.495 nan 8.370 nan 0.000 0.493 29 I N 2.030 122.507 120.570 -0.156 0.000 3.081 29 I HA -0.079 4.092 4.170 0.000 0.000 0.274 29 I C 2.032 178.102 176.117 -0.079 0.000 1.178 29 I CA 0.111 61.284 61.300 -0.212 0.000 1.460 29 I CB 0.206 37.832 38.000 -0.622 0.000 1.137 29 I HN 0.429 nan 8.210 nan 0.000 0.443 30 C N -0.023 119.225 119.300 -0.087 0.000 2.467 30 C HA -0.029 4.431 4.460 0.000 0.000 0.279 30 C C 3.035 178.020 174.990 -0.008 0.000 1.347 30 C CA 0.273 59.279 59.018 -0.020 0.000 1.748 30 C CB -0.820 26.902 27.740 -0.031 0.000 1.977 30 C HN 0.431 nan 8.230 nan 0.000 0.501 31 S N 1.274 116.962 115.700 -0.020 0.000 2.406 31 S HA -0.219 4.251 4.470 0.000 0.000 0.242 31 S C 1.567 176.150 174.600 -0.029 0.000 1.079 31 S CA 2.285 60.473 58.200 -0.020 0.000 1.133 31 S CB -0.266 62.923 63.200 -0.018 0.000 1.005 31 S HN 0.715 nan 8.310 nan 0.000 0.443 32 S N 0.145 115.820 115.700 -0.042 0.000 2.809 32 S HA 0.600 5.071 4.470 0.000 0.000 0.248 32 S C -0.026 174.482 174.600 -0.152 0.000 1.071 32 S CA -0.215 57.940 58.200 -0.076 0.000 1.059 32 S CB 0.854 64.012 63.200 -0.070 0.000 0.923 32 S HN 0.577 nan 8.310 nan 0.000 0.516 33 A N 3.296 126.039 122.820 -0.129 0.000 2.346 33 A HA 0.636 4.956 4.320 0.000 0.000 0.252 33 A C -1.400 176.073 177.584 -0.185 0.000 1.089 33 A CA -0.995 50.902 52.037 -0.232 0.000 0.797 33 A CB -0.458 18.593 19.000 0.085 0.000 1.047 33 A HN 0.304 nan 8.150 nan 0.000 0.494 38 T N -0.002 114.546 114.554 -0.011 0.000 3.051 38 T HA 0.390 4.740 4.350 0.000 0.000 0.254 38 T C 0.456 175.122 174.700 -0.056 0.000 0.916 38 T CA 0.321 62.411 62.100 -0.017 0.000 0.894 38 T CB 0.161 69.024 68.868 -0.009 0.000 1.251 38 T HN 0.620 nan 8.240 nan 0.000 0.517 39 S N 0.737 116.308 115.700 -0.214 0.000 2.709 39 S HA 0.885 5.356 4.470 0.000 0.000 0.302 39 S C -1.397 172.894 174.600 -0.515 0.000 1.127 39 S CA -0.831 57.164 58.200 -0.341 0.000 0.905 39 S CB 1.645 64.567 63.200 -0.463 0.000 1.151 39 S HN 0.609 nan 8.310 nan 0.000 0.510 40 F N -1.074 118.510 119.950 -0.609 0.000 2.662 40 F HA 0.879 5.406 4.527 0.000 0.000 0.312 40 F C -0.803 174.705 175.800 -0.487 0.000 1.113 40 F CA -0.680 56.984 58.000 -0.559 0.000 0.951 40 F CB 1.293 39.944 39.000 -0.581 0.000 1.344 40 F HN 0.428 nan 8.300 nan 0.000 0.462 41 S N 1.848 117.313 115.700 -0.392 0.000 2.541 41 S HA 0.754 5.224 4.470 0.000 0.000 0.280 41 S C -1.550 172.884 174.600 -0.277 0.000 1.112 41 S CA -0.600 57.210 58.200 -0.651 0.000 0.925 41 S CB 1.474 64.369 63.200 -0.509 0.000 1.067 41 S HN 0.521 nan 8.310 nan 0.000 0.479 42 I N 4.157 124.543 120.570 -0.307 0.000 2.389 42 I HA 0.472 4.642 4.170 0.000 0.000 0.288 42 I C -0.221 175.834 176.117 -0.103 0.000 0.999 42 I CA -0.646 60.596 61.300 -0.097 0.000 1.129 42 I CB 1.240 39.253 38.000 0.022 0.000 1.288 42 I HN 0.594 nan 8.210 nan 0.000 0.444 43 N N 5.031 123.690 118.700 -0.070 0.000 2.249 43 N HA 0.837 5.577 4.740 0.000 0.000 0.296 43 N C -1.490 173.999 175.510 -0.035 0.000 1.051 43 N CA -0.334 52.687 53.050 -0.049 0.000 0.815 43 N CB 2.390 40.846 38.487 -0.051 0.000 1.487 43 N HN 0.761 nan 8.380 nan 0.000 0.475 44 A N 1.197 124.003 122.820 -0.023 0.000 2.599 44 A HA 0.680 5.000 4.320 0.000 0.000 0.290 44 A C -0.637 176.941 177.584 -0.009 0.000 1.101 44 A CA -0.725 51.300 52.037 -0.021 0.000 0.674 44 A CB 0.480 19.466 19.000 -0.024 0.000 1.277 44 A HN 0.609 nan 8.150 nan 0.000 0.419 45 S N 1.746 117.443 115.700 -0.005 0.000 2.537 45 S HA 0.124 4.594 4.470 0.000 0.000 0.280 45 S C -1.245 173.355 174.600 0.001 0.000 1.335 45 S CA 0.396 58.598 58.200 0.003 0.000 1.025 45 S CB 0.045 63.250 63.200 0.009 0.000 0.836 45 S HN 0.662 nan 8.310 nan 0.000 0.523 46 P HA -0.077 nan 4.420 nan 0.000 0.218 46 P C 1.312 178.611 177.300 -0.002 0.000 1.149 46 P CA 1.419 64.520 63.100 0.001 0.000 0.817 46 P CB -0.307 31.394 31.700 0.002 0.000 0.785 47 G N -0.217 108.581 108.800 -0.004 0.000 2.776 47 G HA2 0.068 4.028 3.960 0.000 0.000 0.209 47 G HA3 0.068 4.028 3.960 0.000 0.000 0.209 47 G C 0.412 175.305 174.900 -0.011 0.000 1.145 47 G CA 0.073 45.168 45.100 -0.008 0.000 0.791 47 G HN 0.221 nan 8.290 nan 0.000 0.530 48 V N 1.535 121.444 119.914 -0.008 0.000 2.334 48 V HA 0.257 4.377 4.120 0.000 0.000 0.281 48 V C -0.240 175.852 176.094 -0.003 0.000 1.016 48 V CA -0.773 61.522 62.300 -0.008 0.000 0.832 48 V CB 1.803 33.620 31.823 -0.010 0.000 0.999 48 V HN -0.025 nan 8.190 nan 0.000 0.439 49 V N 5.921 125.834 119.914 -0.002 0.000 2.299 49 V HA 0.184 4.304 4.120 0.000 0.000 0.255 49 V C 0.329 176.428 176.094 0.009 0.000 1.100 49 V CA -0.476 61.826 62.300 0.004 0.000 0.938 49 V CB 0.965 32.789 31.823 0.002 0.000 1.139 49 V HN 0.604 nan 8.190 nan 0.000 0.490 50 V N 4.154 124.076 119.914 0.014 0.000 2.326 50 V HA 0.148 4.268 4.120 0.000 0.000 0.249 50 V C 0.238 176.354 176.094 0.036 0.000 1.114 50 V CA 0.044 62.358 62.300 0.023 0.000 1.028 50 V CB 0.541 32.377 31.823 0.022 0.000 1.170 50 V HN 0.879 nan 8.190 nan 0.000 0.494 51 D N 4.380 124.801 120.400 0.035 0.000 2.168 51 D HA 0.655 5.295 4.640 0.000 0.000 0.246 51 D C -0.515 175.819 176.300 0.057 0.000 1.050 51 D CA -0.301 53.724 54.000 0.042 0.000 0.857 51 D CB 1.533 42.350 40.800 0.028 0.000 1.169 51 D HN 0.544 nan 8.370 nan 0.000 0.453 52 I N 0.900 121.514 120.570 0.073 0.000 2.913 52 I HA 0.813 4.983 4.170 0.000 0.000 0.302 52 I C -1.875 174.299 176.117 0.094 0.000 1.246 52 I CA -0.616 60.743 61.300 0.098 0.000 1.010 52 I CB 1.859 39.947 38.000 0.146 0.000 1.259 52 I HN 0.514 nan 8.210 nan 0.000 0.434 53 A N 4.472 127.354 122.820 0.104 0.000 2.530 53 A HA 0.624 4.945 4.320 0.000 0.000 0.288 53 A C -0.996 176.705 177.584 0.195 0.000 1.172 53 A CA -0.682 51.406 52.037 0.085 0.000 0.733 53 A CB 1.037 20.052 19.000 0.025 0.000 1.320 53 A HN 0.945 nan 8.150 nan 0.000 0.419 67 T N -0.595 114.163 114.554 0.339 0.000 2.897 67 T HA 0.542 4.892 4.350 0.000 0.000 0.278 67 T C 0.472 175.452 174.700 0.466 0.000 0.981 67 T CA -0.814 61.527 62.100 0.402 0.000 0.973 67 T CB 1.451 70.494 68.868 0.292 0.000 1.092 67 T HN 0.685 nan 8.240 nan 0.000 0.543 68 W N -0.379 120.760 121.300 -0.269 0.000 2.901 68 W HA 0.182 4.841 4.660 -0.000 0.000 0.281 68 W C -1.968 174.335 176.519 -0.360 0.000 1.167 68 W CA -0.938 56.161 57.345 -0.411 0.000 1.506 68 W CB -0.410 28.936 29.460 -0.189 0.000 0.985 68 W HN 0.486 nan 8.180 nan 0.000 0.590 69 P HA -0.108 nan 4.420 nan 0.000 0.276 69 P C 0.311 177.721 177.300 0.184 0.000 1.264 69 P CA 0.658 63.794 63.100 0.060 0.000 0.815 69 P CB 0.557 32.270 31.700 0.021 0.000 1.121 70 L N 0.257 121.563 121.223 0.139 0.000 3.255 70 L HA 0.279 4.619 4.340 0.000 0.000 0.293 70 L C -0.376 176.540 176.870 0.076 0.000 1.302 70 L CA -0.039 54.892 54.840 0.152 0.000 0.977 70 L CB -0.625 41.490 42.059 0.094 0.000 1.390 70 L HN 0.264 nan 8.230 nan 0.000 0.588 71 D N 2.031 122.478 120.400 0.078 0.000 2.351 71 D HA 0.190 4.830 4.640 0.000 0.000 0.251 71 D C -1.549 174.772 176.300 0.035 0.000 1.137 71 D CA -1.628 52.396 54.000 0.040 0.000 0.879 71 D CB 1.625 42.439 40.800 0.024 0.000 1.181 71 D HN 0.140 nan 8.370 nan 0.000 0.448 72 P HA 0.095 nan 4.420 nan 0.000 0.252 72 P C 0.677 177.987 177.300 0.017 0.000 1.265 72 P CA 0.148 63.251 63.100 0.005 0.000 0.775 72 P CB 0.180 31.881 31.700 0.001 0.000 1.128 73 G N -0.404 108.414 108.800 0.030 0.000 3.159 73 G HA2 0.084 4.045 3.960 0.000 0.000 0.232 73 G HA3 0.084 4.045 3.960 0.000 0.000 0.232 73 G C 0.186 175.124 174.900 0.063 0.000 1.116 73 G CA 0.056 45.179 45.100 0.039 0.000 0.767 73 G HN 0.268 nan 8.290 nan 0.000 0.547 74 V N 0.671 120.631 119.914 0.077 0.000 2.686 74 V HA 0.405 4.525 4.120 0.000 0.000 0.295 74 V C -0.455 175.697 176.094 0.097 0.000 1.055 74 V CA -0.557 61.816 62.300 0.122 0.000 1.050 74 V CB 1.586 33.522 31.823 0.187 0.000 0.984 74 V HN 0.318 nan 8.190 nan 0.000 0.482 75 E N 4.983 125.248 120.200 0.107 0.000 2.102 75 E HA 0.456 4.807 4.350 0.000 0.000 0.263 75 E C -1.462 175.189 176.600 0.084 0.000 0.894 75 E CA -0.561 55.884 56.400 0.076 0.000 0.746 75 E CB 1.514 31.252 29.700 0.063 0.000 1.129 75 E HN 0.583 nan 8.360 nan 0.000 0.416 76 V N 5.214 125.168 119.914 0.066 0.000 2.294 76 V HA 0.268 4.388 4.120 0.000 0.000 0.272 76 V C 0.031 176.146 176.094 0.036 0.000 1.027 76 V CA -0.493 61.847 62.300 0.067 0.000 0.823 76 V CB 0.979 32.838 31.823 0.061 0.000 1.030 76 V HN 0.765 nan 8.190 nan 0.000 0.457 77 T N 3.531 118.107 114.554 0.037 0.000 2.855 77 T HA 0.840 5.190 4.350 0.000 0.000 0.281 77 T C -0.777 173.934 174.700 0.019 0.000 1.007 77 T CA -0.745 61.369 62.100 0.024 0.000 1.009 77 T CB 1.972 70.854 68.868 0.023 0.000 0.983 77 T HN 0.133 nan 8.240 nan 0.000 0.455 78 L N 2.490 123.719 121.223 0.010 0.000 2.334 78 L HA 0.787 5.127 4.340 0.000 0.000 0.273 78 L C 0.494 177.363 176.870 -0.001 0.000 1.013 78 L CA -0.440 54.402 54.840 0.003 0.000 0.816 78 L CB 2.229 44.285 42.059 -0.004 0.000 1.278 78 L HN 1.088 nan 8.230 nan 0.000 0.431 79 T N -0.287 114.263 114.554 -0.005 0.000 2.971 79 T HA 0.688 5.038 4.350 0.000 0.000 0.304 79 T C -0.467 174.222 174.700 -0.019 0.000 1.038 79 T CA -0.665 61.428 62.100 -0.012 0.000 1.007 79 T CB 1.258 70.121 68.868 -0.008 0.000 1.055 79 T HN 0.304 nan 8.240 nan 0.000 0.451 80 M N 2.321 121.903 119.600 -0.030 0.000 2.342 80 M HA 0.486 4.966 4.480 0.000 0.000 0.332 80 M C 1.059 177.339 176.300 -0.035 0.000 1.166 80 M CA -0.265 55.014 55.300 -0.035 0.000 1.086 80 M CB 1.268 33.838 32.600 -0.051 0.000 1.541 80 M HN 0.715 nan 8.290 nan 0.000 0.462 81 K N 1.156 121.538 120.400 -0.030 0.000 2.352 81 K HA 0.526 4.847 4.320 0.000 0.000 0.194 81 K C -0.513 176.066 176.600 -0.035 0.000 1.038 81 K CA 0.190 56.461 56.287 -0.028 0.000 1.023 81 K CB 0.532 33.020 32.500 -0.020 0.000 0.840 81 K HN 0.674 nan 8.250 nan 0.000 0.519 82 A N 0.320 123.114 122.820 -0.043 0.000 2.583 82 A HA 0.600 4.921 4.320 0.000 0.000 0.292 82 A C -1.496 176.049 177.584 -0.065 0.000 1.045 82 A CA -0.800 51.207 52.037 -0.050 0.000 0.672 82 A CB 0.407 19.386 19.000 -0.036 0.000 1.283 82 A HN 0.058 nan 8.150 nan 0.000 0.419 83 A N 1.326 124.099 122.820 -0.078 0.000 2.584 83 A HA 0.490 4.810 4.320 0.000 0.000 0.239 83 A C 0.847 178.384 177.584 -0.079 0.000 1.043 83 A CA 0.997 52.972 52.037 -0.103 0.000 0.756 83 A CB -0.578 18.362 19.000 -0.099 0.000 0.963 83 A HN 1.543 nan 8.150 nan 0.000 0.511 84 S N 1.717 117.363 115.700 -0.090 0.000 2.600 84 S HA 0.395 4.865 4.470 0.000 0.000 0.265 84 S C 1.628 176.204 174.600 -0.040 0.000 1.325 84 S CA -0.008 58.160 58.200 -0.053 0.000 1.002 84 S CB 1.330 64.503 63.200 -0.044 0.000 0.921 84 S HN 1.021 nan 8.310 nan 0.000 0.554 85 G N 0.223 109.013 108.800 -0.016 0.000 2.545 85 G HA2 0.221 4.181 3.960 0.000 0.000 0.212 85 G HA3 0.221 4.181 3.960 0.000 0.000 0.212 85 G C 0.297 175.203 174.900 0.010 0.000 1.144 85 G CA 0.422 45.520 45.100 -0.003 0.000 0.813 85 G HN 0.756 nan 8.290 nan 0.000 0.531 86 S N -1.010 114.697 115.700 0.012 0.000 2.720 86 S HA 0.561 5.031 4.470 0.000 0.000 0.287 86 S C -0.636 173.987 174.600 0.038 0.000 1.168 86 S CA -0.608 57.609 58.200 0.029 0.000 0.832 86 S CB 1.278 64.491 63.200 0.021 0.000 1.166 86 S HN 0.086 nan 8.310 nan 0.000 0.493 87 T N 0.758 115.348 114.554 0.060 0.000 2.870 87 T HA 0.537 4.888 4.350 0.000 0.000 0.300 87 T C 1.138 175.868 174.700 0.051 0.000 0.989 87 T CA 0.288 62.439 62.100 0.085 0.000 1.139 87 T CB 0.042 68.979 68.868 0.115 0.000 0.920 87 T HN 2.041 nan 8.240 nan 0.000 0.537 88 G N 2.975 111.817 108.800 0.069 0.000 2.256 88 G HA2 -0.209 3.751 3.960 0.000 0.000 0.272 88 G HA3 -0.209 3.751 3.960 0.000 0.000 0.272 88 G C 0.385 175.317 174.900 0.054 0.000 1.076 88 G CA -0.017 45.122 45.100 0.065 0.000 0.882 88 G HN 0.760 nan 8.290 nan 0.000 0.497 89 D N -0.498 119.928 120.400 0.042 0.000 2.224 89 D HA 0.092 4.732 4.640 0.000 0.000 0.205 89 D C 1.358 177.686 176.300 0.046 0.000 0.965 89 D CA 1.156 55.175 54.000 0.032 0.000 0.852 89 D CB 0.208 41.016 40.800 0.012 0.000 0.947 89 D HN 0.511 nan 8.370 nan 0.000 0.494 90 Q N 0.221 120.053 119.800 0.053 0.000 2.274 90 Q HA 0.466 4.806 4.340 0.000 0.000 0.260 90 Q C -0.581 175.457 176.000 0.063 0.000 0.974 90 Q CA -0.324 55.504 55.803 0.042 0.000 0.876 90 Q CB 1.934 30.679 28.738 0.013 0.000 1.297 90 Q HN -0.107 nan 8.270 nan 0.000 0.446 91 K N 0.455 120.875 120.400 0.032 0.000 2.340 91 K HA 0.810 5.130 4.320 0.000 0.000 0.244 91 K C -1.255 175.306 176.600 -0.065 0.000 0.973 91 K CA -1.018 55.253 56.287 -0.027 0.000 0.828 91 K CB 2.198 34.696 32.500 -0.004 0.000 1.226 91 K HN 0.258 nan 8.250 nan 0.000 0.437 92 V N 1.875 121.715 119.914 -0.123 0.000 2.567 92 V HA 0.194 4.314 4.120 0.000 0.000 0.298 92 V C -0.975 175.051 176.094 -0.113 0.000 1.047 92 V CA -0.788 61.457 62.300 -0.091 0.000 0.880 92 V CB 1.614 33.392 31.823 -0.075 0.000 1.009 92 V HN 0.699 nan 8.190 nan 0.000 0.429 93 Q N 4.807 124.559 119.800 -0.079 0.000 2.290 93 Q HA 0.558 4.898 4.340 0.000 0.000 0.259 93 Q C -1.303 174.670 176.000 -0.045 0.000 0.941 93 Q CA -0.726 55.038 55.803 -0.066 0.000 0.912 93 Q CB 1.550 30.259 28.738 -0.048 0.000 1.244 93 Q HN 0.651 nan 8.270 nan 0.000 0.441 94 I N 3.074 123.628 120.570 -0.027 0.000 2.330 94 I HA 0.253 4.423 4.170 0.000 0.000 0.286 94 I C -0.369 175.742 176.117 -0.010 0.000 1.025 94 I CA -0.425 60.840 61.300 -0.058 0.000 1.197 94 I CB 0.884 38.821 38.000 -0.106 0.000 1.358 94 I HN 0.446 nan 8.210 nan 0.000 0.467 95 S N 6.613 122.301 115.700 -0.021 0.000 2.430 95 S HA 0.465 4.935 4.470 0.000 0.000 0.289 95 S C -0.617 174.043 174.600 0.099 0.000 1.143 95 S CA -0.302 57.950 58.200 0.088 0.000 1.067 95 S CB 0.147 63.388 63.200 0.069 0.000 0.964 95 S HN 0.278 nan 8.310 nan 0.000 0.485 96 Y N 3.952 124.330 120.300 0.129 0.000 2.385 96 Y HA 0.445 4.995 4.550 0.000 0.000 0.341 96 Y C 0.054 176.035 175.900 0.136 0.000 0.965 96 Y CA -0.969 57.184 58.100 0.089 0.000 1.180 96 Y CB 0.196 38.671 38.460 0.026 0.000 1.139 96 Y HN 0.683 nan 8.280 nan 0.000 0.502 97 Y N 0.322 120.700 120.300 0.130 0.000 2.605 97 Y HA 1.018 5.568 4.550 0.000 0.000 0.343 97 Y C -0.069 175.881 175.900 0.084 0.000 1.036 97 Y CA -1.479 56.673 58.100 0.086 0.000 1.065 97 Y CB 1.600 40.084 38.460 0.040 0.000 1.288 97 Y HN 0.586 nan 8.280 nan 0.000 0.481 98 G N 0.273 109.174 108.800 0.169 0.000 3.008 98 G HA2 0.426 4.386 3.960 0.000 0.000 0.148 98 G HA3 0.426 4.386 3.960 0.000 0.000 0.148 98 G C -2.212 172.762 174.900 0.124 0.000 1.184 98 G CA -0.720 44.429 45.100 0.080 0.000 1.087 98 G HN 0.484 nan 8.290 nan 0.000 0.602 99 P HA -0.102 nan 4.420 nan 0.000 0.217 99 P C 0.234 177.580 177.300 0.076 0.000 0.848 99 P CA 1.604 64.745 63.100 0.067 0.000 1.049 99 P CB 0.059 31.787 31.700 0.048 0.000 0.690 100 K N -0.915 119.524 120.400 0.064 0.000 3.271 100 K HA 0.322 4.642 4.320 0.000 0.000 0.192 100 K C -0.412 176.223 176.600 0.058 0.000 1.108 100 K CA -0.104 56.218 56.287 0.057 0.000 0.902 100 K CB 0.681 33.205 32.500 0.041 0.000 0.889 100 K HN 0.335 nan 8.250 nan 0.000 0.520 101 T N -2.306 112.295 114.554 0.078 0.000 2.864 101 T HA 0.478 4.828 4.350 0.000 0.000 0.299 101 T C -2.746 172.017 174.700 0.105 0.000 1.166 101 T CA -1.301 60.844 62.100 0.076 0.000 1.007 101 T CB 2.438 71.347 68.868 0.068 0.000 1.219 101 T HN -0.080 nan 8.240 nan 0.000 0.506 102 P HA 0.424 nan 4.420 nan 0.000 0.323 102 P C -2.228 175.136 177.300 0.106 0.000 1.588 102 P CA -0.819 62.338 63.100 0.095 0.000 1.400 102 P CB -0.411 31.317 31.700 0.048 0.000 1.638 103 P HA -0.258 nan 4.420 nan 0.000 0.299 103 P C 0.509 177.864 177.300 0.091 0.000 1.965 103 P CA 0.601 63.756 63.100 0.091 0.000 1.761 103 P CB -0.068 31.697 31.700 0.108 0.000 0.248 104 V N -1.093 118.867 119.914 0.076 0.000 3.214 104 V HA 0.179 4.299 4.120 0.000 0.000 0.306 104 V C 0.594 176.791 176.094 0.172 0.000 1.078 104 V CA 0.246 62.588 62.300 0.069 0.000 1.077 104 V CB 0.706 32.514 31.823 -0.027 0.000 1.121 104 V HN 0.278 nan 8.190 nan 0.000 0.468 105 K N 1.698 122.175 120.400 0.129 0.000 2.535 105 K HA 0.642 4.962 4.320 0.000 0.000 0.253 105 K C -0.651 176.015 176.600 0.110 0.000 0.953 105 K CA -0.339 56.032 56.287 0.141 0.000 0.863 105 K CB 1.820 34.361 32.500 0.068 0.000 1.111 105 K HN 0.808 nan 8.250 nan 0.000 0.431 106 A N 3.979 126.910 122.820 0.183 0.000 2.409 106 A HA 0.414 4.734 4.320 0.000 0.000 0.262 106 A C -0.451 177.127 177.584 -0.009 0.000 1.113 106 A CA -0.400 51.701 52.037 0.107 0.000 0.790 106 A CB -0.055 19.083 19.000 0.231 0.000 1.046 106 A HN 0.603 nan 8.150 nan 0.000 0.496 107 L N 2.450 123.624 121.223 -0.081 0.000 2.309 107 L HA 0.660 5.000 4.340 0.000 0.000 0.282 107 L C -0.414 176.257 176.870 -0.333 0.000 1.036 107 L CA -0.427 54.271 54.840 -0.237 0.000 0.806 107 L CB 1.472 43.367 42.059 -0.275 0.000 1.220 107 L HN 0.602 nan 8.230 nan 0.000 0.429 108 L N 3.573 124.524 121.223 -0.453 0.000 2.446 108 L HA 0.472 4.812 4.340 0.000 0.000 0.268 108 L C -1.591 174.990 176.870 -0.482 0.000 0.975 108 L CA -0.131 54.479 54.840 -0.384 0.000 0.848 108 L CB 1.049 43.000 42.059 -0.181 0.000 1.225 108 L HN 0.363 nan 8.230 nan 0.000 0.410 109 Y N 6.043 126.208 120.300 -0.225 0.000 2.434 109 Y HA 0.543 5.093 4.550 -0.000 0.000 0.341 109 Y C -0.241 175.586 175.900 -0.123 0.000 0.965 109 Y CA -0.963 57.008 58.100 -0.216 0.000 1.205 109 Y CB 0.889 39.121 38.460 -0.380 0.000 1.121 109 Y HN 0.315 nan 8.280 nan 0.000 0.507 110 L N 2.789 124.049 121.223 0.060 0.000 2.375 110 L HA 0.564 4.905 4.340 0.000 0.000 0.268 110 L C 0.206 177.107 176.870 0.052 0.000 1.058 110 L CA -0.608 54.259 54.840 0.045 0.000 0.803 110 L CB 1.393 43.457 42.059 0.008 0.000 1.212 110 L HN 0.501 nan 8.230 nan 0.000 0.451 111 T N 1.031 115.605 114.554 0.034 0.000 2.985 111 T HA 0.628 4.978 4.350 0.000 0.000 0.315 111 T C -0.090 174.563 174.700 -0.079 0.000 1.001 111 T CA -0.499 61.604 62.100 0.005 0.000 1.016 111 T CB 1.516 70.425 68.868 0.069 0.000 0.993 111 T HN 0.718 nan 8.240 nan 0.000 0.454 112 A N 3.097 125.854 122.820 -0.105 0.000 2.331 112 A HA 0.837 5.157 4.320 0.000 0.000 0.283 112 A C 0.322 177.757 177.584 -0.248 0.000 1.142 112 A CA -0.551 51.393 52.037 -0.155 0.000 0.812 112 A CB 0.223 19.156 19.000 -0.110 0.000 1.074 112 A HN 1.054 nan 8.150 nan 0.000 0.497 113 V N -0.081 119.642 119.914 -0.318 0.000 3.078 113 V HA 0.763 4.884 4.120 0.000 0.000 0.311 113 V C -0.642 175.268 176.094 -0.306 0.000 1.138 113 V CA -0.822 61.233 62.300 -0.408 0.000 1.007 113 V CB 1.725 33.114 31.823 -0.723 0.000 1.045 113 V HN 0.961 nan 8.190 nan 0.000 0.432 114 E N 1.918 121.976 120.200 -0.236 0.000 2.145 114 E HA 0.699 5.049 4.350 0.000 0.000 0.270 114 E C -1.418 175.115 176.600 -0.112 0.000 0.906 114 E CA -0.770 55.535 56.400 -0.158 0.000 0.761 114 E CB 1.635 31.279 29.700 -0.093 0.000 1.116 114 E HN 0.794 nan 8.360 nan 0.000 0.408 115 I N 3.899 124.402 120.570 -0.111 0.000 2.583 115 I HA 0.192 4.362 4.170 0.000 0.000 0.276 115 I C -0.960 175.223 176.117 0.110 0.000 1.089 115 I CA -0.484 60.831 61.300 0.024 0.000 1.103 115 I CB 1.735 39.762 38.000 0.045 0.000 1.209 115 I HN 0.314 nan 8.210 nan 0.000 0.484 116 S N 6.440 122.197 115.700 0.094 0.000 2.498 116 S HA 0.421 4.891 4.470 0.000 0.000 0.324 116 S C -0.393 174.258 174.600 0.085 0.000 1.071 116 S CA -0.478 57.775 58.200 0.089 0.000 1.113 116 S CB 1.656 64.880 63.200 0.039 0.000 0.976 116 S HN 0.416 nan 8.310 nan 0.000 0.462 117 L N 5.505 126.779 121.223 0.085 0.000 2.259 117 L HA 0.522 4.862 4.340 0.000 0.000 0.288 117 L C -0.507 176.365 176.870 0.003 0.000 1.051 117 L CA -0.266 54.601 54.840 0.046 0.000 0.824 117 L CB -0.393 41.676 42.059 0.017 0.000 1.206 117 L HN 0.920 nan 8.230 nan 0.000 0.429 118 C N 2.896 122.195 119.300 -0.001 0.000 2.802 118 C HA 1.000 5.460 4.460 0.000 0.000 0.307 118 C C 0.223 175.182 174.990 -0.051 0.000 1.222 118 C CA -0.509 58.484 59.018 -0.041 0.000 1.580 118 C CB 0.921 28.641 27.740 -0.034 0.000 2.119 118 C HN 0.962 nan 8.230 nan 0.000 0.479 119 A N 0.572 123.326 122.820 -0.111 0.000 2.681 119 A HA 0.759 5.079 4.320 0.000 0.000 0.278 119 A C -0.575 176.928 177.584 -0.135 0.000 1.272 119 A CA -0.071 51.897 52.037 -0.115 0.000 0.750 119 A CB 0.446 19.311 19.000 -0.225 0.000 1.351 119 A HN 0.829 nan 8.150 nan 0.000 0.514 120 D N 1.433 121.754 120.400 -0.132 0.000 2.801 120 D HA 0.068 4.708 4.640 0.000 0.000 0.232 120 D C 1.342 177.521 176.300 -0.201 0.000 1.128 120 D CA -0.334 53.588 54.000 -0.131 0.000 1.003 120 D CB -0.306 40.444 40.800 -0.083 0.000 1.110 120 D HN 0.429 nan 8.370 nan 0.000 0.477 121 I N 0.013 120.450 120.570 -0.221 0.000 3.010 121 I HA -0.081 4.089 4.170 0.000 0.000 0.271 121 I C 0.808 176.756 176.117 -0.281 0.000 1.293 121 I CA 0.927 62.067 61.300 -0.268 0.000 1.452 121 I CB -1.909 35.948 38.000 -0.239 0.000 1.082 121 I HN 0.153 nan 8.210 nan 0.000 0.484 122 T N -1.352 113.066 114.554 -0.227 0.000 3.269 122 T HA 0.384 4.734 4.350 0.000 0.000 0.269 122 T C 0.553 175.125 174.700 -0.214 0.000 0.993 122 T CA -0.636 61.339 62.100 -0.207 0.000 0.909 122 T CB -0.365 68.421 68.868 -0.137 0.000 1.115 122 T HN 0.248 nan 8.240 nan 0.000 0.543 123 R N 0.263 120.565 120.500 -0.330 0.000 3.314 123 R HA -0.145 4.196 4.340 0.000 0.000 0.243 123 R C 0.956 177.164 176.300 -0.152 0.000 0.954 123 R CA 1.148 56.989 56.100 -0.431 0.000 0.645 123 R CB -2.828 27.011 30.300 -0.768 0.000 1.022 123 R HN 0.545 nan 8.270 nan 0.000 0.468 124 T N -2.366 112.132 114.554 -0.094 0.000 3.084 124 T HA 0.370 4.721 4.350 0.000 0.000 0.270 124 T C 1.314 176.021 174.700 0.012 0.000 1.008 124 T CA 0.706 62.796 62.100 -0.016 0.000 0.900 124 T CB 0.249 69.102 68.868 -0.025 0.000 1.084 124 T HN 0.748 nan 8.240 nan 0.000 0.538 125 G N 1.841 110.650 108.800 0.015 0.000 2.162 125 G HA2 -0.230 3.730 3.960 0.000 0.000 0.260 125 G HA3 -0.230 3.730 3.960 0.000 0.000 0.260 125 G C -0.068 174.851 174.900 0.031 0.000 0.976 125 G CA 0.666 45.802 45.100 0.060 0.000 0.655 125 G HN 0.785 nan 8.290 nan 0.000 0.533 126 K N 0.517 120.916 120.400 -0.001 0.000 2.397 126 K HA 0.624 4.944 4.320 0.000 0.000 0.253 126 K C 0.249 176.831 176.600 -0.031 0.000 0.932 126 K CA -0.387 55.894 56.287 -0.010 0.000 0.795 126 K CB 2.052 34.546 32.500 -0.010 0.000 1.159 126 K HN 0.886 nan 8.250 nan 0.000 0.424 127 V N 1.725 121.622 119.914 -0.029 0.000 2.439 127 V HA 0.483 4.603 4.120 0.000 0.000 0.271 127 V C -0.479 175.590 176.094 -0.041 0.000 1.040 127 V CA -0.065 62.211 62.300 -0.041 0.000 1.002 127 V CB -0.211 31.591 31.823 -0.034 0.000 1.000 127 V HN 0.742 nan 8.190 nan 0.000 0.477 137 R N -0.681 119.788 120.500 -0.051 0.000 3.584 137 R HA -0.125 4.215 4.340 0.000 0.000 0.488 137 R C -1.093 175.199 176.300 -0.014 0.000 0.869 137 R CA 1.517 57.595 56.100 -0.036 0.000 1.325 137 R CB -1.660 28.625 30.300 -0.025 0.000 2.015 137 R HN 0.862 nan 8.270 nan 0.000 0.489 138 T N -3.646 110.900 114.554 -0.013 0.000 2.900 138 T HA 0.511 4.862 4.350 0.000 0.000 0.303 138 T C -1.087 173.634 174.700 0.035 0.000 1.142 138 T CA -0.664 61.459 62.100 0.037 0.000 1.007 138 T CB 1.614 70.509 68.868 0.045 0.000 1.156 138 T HN 0.324 nan 8.240 nan 0.000 0.490 139 W N 3.310 124.566 121.300 -0.074 0.000 2.338 139 W HA 0.549 5.210 4.660 0.001 0.000 0.307 139 W C 0.007 176.464 176.519 -0.104 0.000 1.167 139 W CA 0.088 57.357 57.345 -0.127 0.000 1.208 139 W CB 1.087 30.456 29.460 -0.152 0.000 1.228 139 W HN 1.018 nan 8.180 nan 0.000 0.499 140 T N 2.224 116.463 114.554 -0.526 0.000 2.886 140 T HA 0.446 4.796 4.350 0.000 0.000 0.292 140 T C -0.700 173.663 174.700 -0.562 0.000 1.012 140 T CA -0.859 61.080 62.100 -0.269 0.000 0.982 140 T CB 0.666 69.448 68.868 -0.143 0.000 1.018 140 T HN 0.396 nan 8.240 nan 0.000 0.451 141 W N 1.545 122.775 121.300 -0.117 0.000 2.030 141 W HA 0.593 5.253 4.660 0.001 0.000 0.360 141 W C 1.282 177.753 176.519 -0.079 0.000 1.370 141 W CA 1.351 58.675 57.345 -0.035 0.000 1.433 141 W CB -0.107 29.480 29.460 0.211 0.000 1.204 141 W HN 1.439 nan 8.180 nan 0.000 0.649 142 G N 0.386 109.351 108.800 0.276 0.000 2.661 142 G HA2 -0.174 3.786 3.960 0.000 0.000 0.685 142 G HA3 -0.174 3.786 3.960 0.000 0.000 0.685 142 G C -1.892 173.032 174.900 0.041 0.000 1.298 142 G CA -0.520 44.662 45.100 0.138 0.000 0.855 142 G HN 0.360 nan 8.290 nan 0.000 0.560 143 P HA 0.116 nan 4.420 nan 0.000 0.229 143 P C 1.067 178.341 177.300 -0.042 0.000 1.160 143 P CA 1.429 64.511 63.100 -0.029 0.000 0.777 143 P CB 0.123 31.796 31.700 -0.045 0.000 0.814 144 C N -0.265 119.009 119.300 -0.042 0.000 2.647 144 C HA 0.545 5.005 4.460 0.000 0.000 0.296 144 C C 1.439 176.373 174.990 -0.093 0.000 1.403 144 C CA -0.519 58.464 59.018 -0.060 0.000 1.781 144 C CB -0.496 27.221 27.740 -0.040 0.000 2.464 144 C HN 0.168 nan 8.230 nan 0.000 0.559 145 G N 0.161 108.879 108.800 -0.136 0.000 2.613 145 G HA2 0.628 4.589 3.960 0.000 0.000 0.303 145 G HA3 0.628 4.589 3.960 0.000 0.000 0.303 145 G C -1.057 173.637 174.900 -0.343 0.000 1.312 145 G CA -0.097 44.861 45.100 -0.237 0.000 1.036 145 G HN 0.431 nan 8.290 nan 0.000 0.513 146 Q N -1.441 118.066 119.800 -0.489 0.000 2.389 146 Q HA 0.587 4.927 4.340 0.000 0.000 0.277 146 Q C -0.708 174.794 176.000 -0.831 0.000 1.082 146 Q CA -0.754 54.739 55.803 -0.517 0.000 0.810 146 Q CB 2.819 31.360 28.738 -0.329 0.000 1.374 146 Q HN 1.199 nan 8.270 nan 0.000 0.422 147 G N 0.431 108.811 108.800 -0.699 0.000 2.380 147 G HA2 0.339 4.299 3.960 0.000 0.000 0.250 147 G HA3 0.339 4.299 3.960 0.000 0.000 0.250 147 G C -0.945 173.807 174.900 -0.248 0.000 1.578 147 G CA -0.414 44.295 45.100 -0.651 0.000 0.974 147 G HN 0.687 nan 8.290 nan 0.000 0.680 148 A N 1.498 124.206 122.820 -0.187 0.000 2.429 148 A HA 0.776 5.096 4.320 0.000 0.000 0.242 148 A C 0.423 178.104 177.584 0.161 0.000 1.088 148 A CA 0.221 52.162 52.037 -0.160 0.000 0.784 148 A CB 0.315 19.014 19.000 -0.502 0.000 1.038 148 A HN 1.187 nan 8.150 nan 0.000 0.501 149 I N 0.131 120.814 120.570 0.188 0.000 2.545 149 I HA 0.372 4.542 4.170 0.000 0.000 0.292 149 I C -0.790 175.529 176.117 0.337 0.000 1.040 149 I CA -0.148 61.314 61.300 0.271 0.000 1.068 149 I CB 1.836 39.916 38.000 0.133 0.000 1.251 149 I HN 0.452 nan 8.210 nan 0.000 0.424 150 L N 6.326 127.702 121.223 0.256 0.000 2.346 150 L HA 0.570 4.910 4.340 0.000 0.000 0.276 150 L C -0.705 176.209 176.870 0.074 0.000 1.006 150 L CA -0.692 54.229 54.840 0.135 0.000 0.817 150 L CB 1.746 43.790 42.059 -0.026 0.000 1.272 150 L HN 0.371 nan 8.230 nan 0.000 0.421 151 L N 2.938 124.209 121.223 0.080 0.000 2.357 151 L HA 0.456 4.796 4.340 0.000 0.000 0.273 151 L C -0.014 176.795 176.870 -0.101 0.000 1.080 151 L CA -0.847 53.994 54.840 0.001 0.000 0.803 151 L CB 1.732 43.827 42.059 0.060 0.000 1.174 151 L HN 0.265 nan 8.230 nan 0.000 0.443 152 V N 1.662 121.413 119.914 -0.272 0.000 2.775 152 V HA 0.046 4.166 4.120 0.000 0.000 0.299 152 V C 0.455 176.461 176.094 -0.146 0.000 1.062 152 V CA -0.548 61.558 62.300 -0.322 0.000 1.063 152 V CB 1.304 32.663 31.823 -0.774 0.000 0.994 152 V HN 0.722 nan 8.190 nan 0.000 0.483 153 N N 2.547 121.203 118.700 -0.074 0.000 2.411 153 N HA 0.137 4.877 4.740 0.000 0.000 0.259 153 N C -0.994 174.541 175.510 0.042 0.000 1.103 153 N CA -0.138 52.910 53.050 -0.003 0.000 0.954 153 N CB 0.553 39.045 38.487 0.008 0.000 1.085 153 N HN 0.679 nan 8.380 nan 0.000 0.485 154 C N 3.346 122.698 119.300 0.088 0.000 2.271 154 C HA 0.517 4.977 4.460 0.000 0.000 0.323 154 C C -0.631 174.473 174.990 0.191 0.000 1.245 154 C CA -0.796 58.321 59.018 0.165 0.000 1.548 154 C CB -0.178 27.686 27.740 0.206 0.000 2.214 154 C HN 0.598 nan 8.230 nan 0.000 0.477 155 D N 1.879 122.388 120.400 0.180 0.000 2.966 155 D HA 0.395 5.035 4.640 0.000 0.000 0.222 155 D C -0.578 175.766 176.300 0.074 0.000 1.292 155 D CA -0.480 53.611 54.000 0.152 0.000 0.907 155 D CB 1.542 42.395 40.800 0.088 0.000 1.621 155 D HN 0.614 nan 8.370 nan 0.000 0.557 156 R N 0.688 121.183 120.500 -0.007 0.000 2.598 156 R HA 0.835 5.175 4.340 0.000 0.000 0.279 156 R C -0.770 175.471 176.300 -0.098 0.000 0.984 156 R CA -0.548 55.458 56.100 -0.158 0.000 0.999 156 R CB 0.948 30.951 30.300 -0.494 0.000 1.114 156 R HN 0.037 nan 8.270 nan 0.000 0.493 173 D N -1.108 119.228 120.400 -0.107 0.000 2.837 173 D HA 0.289 4.930 4.640 0.000 0.000 0.294 173 D C 0.754 176.935 176.300 -0.197 0.000 1.158 173 D CA 0.352 54.269 54.000 -0.139 0.000 1.073 173 D CB 1.568 42.323 40.800 -0.075 0.000 1.419 173 D HN 0.546 nan 8.370 nan 0.000 0.584 174 S N 0.204 115.790 115.700 -0.191 0.000 2.428 174 S HA -0.282 4.188 4.470 0.000 0.000 0.240 174 S C 1.363 175.885 174.600 -0.131 0.000 1.036 174 S CA 1.940 60.030 58.200 -0.184 0.000 1.009 174 S CB -0.344 62.792 63.200 -0.107 0.000 0.803 174 S HN 0.567 nan 8.310 nan 0.000 0.486 175 E N 1.765 121.905 120.200 -0.100 0.000 2.393 175 E HA -0.203 4.147 4.350 0.000 0.000 0.201 175 E C 0.320 176.871 176.600 -0.081 0.000 1.025 175 E CA 1.791 58.150 56.400 -0.069 0.000 0.856 175 E CB -0.502 29.167 29.700 -0.052 0.000 0.771 175 E HN 0.721 nan 8.360 nan 0.000 0.526 176 D N -1.178 119.143 120.400 -0.131 0.000 2.969 176 D HA 0.215 4.855 4.640 0.000 0.000 0.317 176 D C -0.170 175.992 176.300 -0.230 0.000 1.650 176 D CA -0.130 53.782 54.000 -0.146 0.000 0.789 176 D CB 0.013 40.731 40.800 -0.137 0.000 1.277 176 D HN 0.115 nan 8.370 nan 0.000 0.463 177 L N 0.808 121.875 121.223 -0.260 0.000 3.439 177 L HA 0.284 4.625 4.340 0.000 0.000 0.313 177 L C 1.361 178.092 176.870 -0.232 0.000 1.292 177 L CA 0.065 54.684 54.840 -0.368 0.000 1.020 177 L CB 0.816 42.434 42.059 -0.735 0.000 1.424 177 L HN 0.040 nan 8.230 nan 0.000 0.612 178 Q N 0.190 119.932 119.800 -0.097 0.000 2.402 178 Q HA -0.074 4.266 4.340 0.000 0.000 0.206 178 Q C 0.691 176.767 176.000 0.127 0.000 0.919 178 Q CA 0.945 56.756 55.803 0.013 0.000 0.923 178 Q CB 0.484 29.240 28.738 0.030 0.000 1.048 178 Q HN 0.414 nan 8.270 nan 0.000 0.515 179 D N -0.090 120.362 120.400 0.086 0.000 2.323 179 D HA 0.026 4.666 4.640 0.000 0.000 0.209 179 D C 0.262 176.722 176.300 0.265 0.000 0.973 179 D CA 0.644 54.743 54.000 0.165 0.000 0.874 179 D CB 0.278 41.121 40.800 0.073 0.000 0.930 179 D HN 0.270 nan 8.370 nan 0.000 0.521 180 M N -0.013 119.651 119.600 0.107 0.000 2.197 180 M HA 0.257 4.737 4.480 0.000 0.000 0.305 180 M C 0.130 176.383 176.300 -0.079 0.000 1.162 180 M CA -0.197 55.143 55.300 0.066 0.000 1.099 180 M CB 1.192 33.809 32.600 0.028 0.000 1.430 180 M HN -0.292 nan 8.290 nan 0.000 0.481 181 S N 1.596 117.254 115.700 -0.070 0.000 2.480 181 S HA 0.473 4.943 4.470 0.000 0.000 0.286 181 S C -0.761 173.824 174.600 -0.024 0.000 1.180 181 S CA -0.792 57.319 58.200 -0.149 0.000 1.075 181 S CB 1.056 64.269 63.200 0.023 0.000 0.996 181 S HN 0.445 nan 8.310 nan 0.000 0.487 182 L N 4.217 125.404 121.223 -0.060 0.000 2.305 182 L HA 0.601 4.941 4.340 0.000 0.000 0.281 182 L C -0.464 176.392 176.870 -0.023 0.000 1.085 182 L CA 0.192 54.961 54.840 -0.118 0.000 0.813 182 L CB 0.660 42.659 42.059 -0.101 0.000 1.157 182 L HN 0.794 nan 8.230 nan 0.000 0.436 183 M N 4.687 124.273 119.600 -0.024 0.000 2.263 183 M HA 0.417 4.898 4.480 0.000 0.000 0.295 183 M C -1.149 175.220 176.300 0.115 0.000 1.028 183 M CA -0.178 55.181 55.300 0.098 0.000 0.921 183 M CB 1.875 34.596 32.600 0.201 0.000 1.601 183 M HN 0.663 nan 8.290 nan 0.000 0.440 184 T N 4.965 119.569 114.554 0.084 0.000 2.829 184 T HA 0.543 4.893 4.350 0.000 0.000 0.280 184 T C -1.606 173.170 174.700 0.127 0.000 0.999 184 T CA -0.667 61.486 62.100 0.089 0.000 0.983 184 T CB 1.164 70.028 68.868 -0.006 0.000 0.968 184 T HN 0.687 nan 8.240 nan 0.000 0.446 185 L N 4.412 125.749 121.223 0.190 0.000 2.294 185 L HA 0.597 4.937 4.340 0.000 0.000 0.283 185 L C -0.604 176.311 176.870 0.076 0.000 1.015 185 L CA -0.281 54.669 54.840 0.182 0.000 0.831 185 L CB 1.176 43.441 42.059 0.343 0.000 1.217 185 L HN 0.627 nan 8.230 nan 0.000 0.420 186 S N 2.605 118.338 115.700 0.055 0.000 2.509 186 S HA 0.764 5.235 4.470 0.000 0.000 0.297 186 S C -0.132 174.506 174.600 0.064 0.000 1.118 186 S CA -0.524 57.687 58.200 0.018 0.000 1.074 186 S CB 1.887 65.087 63.200 0.001 0.000 1.038 186 S HN 0.731 nan 8.310 nan 0.000 0.498 187 T N -0.327 114.277 114.554 0.082 0.000 2.909 187 T HA 0.678 5.028 4.350 0.000 0.000 0.299 187 T C -1.137 173.618 174.700 0.092 0.000 1.073 187 T CA -0.982 61.191 62.100 0.121 0.000 0.999 187 T CB 1.653 70.682 68.868 0.268 0.000 1.098 187 T HN 0.492 nan 8.240 nan 0.000 0.477 188 K N 2.037 122.450 120.400 0.022 0.000 2.690 188 K HA 0.550 4.870 4.320 0.000 0.000 0.243 188 K C -0.943 175.598 176.600 -0.098 0.000 0.982 188 K CA -0.389 55.894 56.287 -0.007 0.000 0.955 188 K CB 1.002 33.486 32.500 -0.027 0.000 1.185 188 K HN 1.049 nan 8.250 nan 0.000 0.467 189 T N 0.072 114.581 114.554 -0.075 0.000 2.864 189 T HA 0.587 4.937 4.350 0.000 0.000 0.299 189 T C -2.949 171.712 174.700 -0.066 0.000 1.166 189 T CA -2.125 59.830 62.100 -0.242 0.000 1.007 189 T CB 1.694 70.237 68.868 -0.542 0.000 1.219 189 T HN 0.236 nan 8.240 nan 0.000 0.506 190 P HA 0.173 nan 4.420 nan 0.000 0.268 190 P C 0.588 177.974 177.300 0.142 0.000 1.205 190 P CA -0.247 62.883 63.100 0.050 0.000 0.771 190 P CB 0.934 32.670 31.700 0.060 0.000 0.858 191 K N 1.854 122.325 120.400 0.118 0.000 2.090 191 K HA -0.224 4.097 4.320 0.000 0.000 0.218 191 K C 1.337 178.040 176.600 0.171 0.000 1.055 191 K CA 2.400 58.768 56.287 0.135 0.000 0.941 191 K CB -0.476 32.076 32.500 0.086 0.000 0.722 191 K HN 0.652 nan 8.250 nan 0.000 0.458 192 D N 0.149 120.635 120.400 0.143 0.000 2.336 192 D HA -0.107 4.533 4.640 0.000 0.000 0.229 192 D C 1.455 177.845 176.300 0.150 0.000 1.061 192 D CA 0.100 54.176 54.000 0.127 0.000 0.875 192 D CB -0.332 40.514 40.800 0.078 0.000 0.904 192 D HN 0.214 nan 8.370 nan 0.000 0.525 193 F N 0.914 120.886 119.950 0.036 0.000 2.126 193 F HA -0.081 4.446 4.527 0.001 0.000 0.299 193 F C 1.107 176.854 175.800 -0.087 0.000 1.096 193 F CA 1.116 59.075 58.000 -0.069 0.000 1.255 193 F CB -0.169 38.679 39.000 -0.254 0.000 0.997 193 F HN -0.192 nan 8.300 nan 0.000 0.479 194 F N 0.459 120.448 119.950 0.065 0.000 2.696 194 F HA 0.073 4.600 4.527 -0.000 0.000 0.296 194 F C 1.929 177.692 175.800 -0.061 0.000 1.181 194 F CA 0.565 58.550 58.000 -0.026 0.000 1.411 194 F CB -0.796 38.264 39.000 0.100 0.000 1.014 194 F HN 0.001 nan 8.300 nan 0.000 0.512 195 T N -4.765 109.792 114.554 0.005 0.000 3.037 195 T HA 0.047 4.397 4.350 0.000 0.000 0.252 195 T C 1.420 176.047 174.700 -0.121 0.000 1.073 195 T CA 0.420 62.505 62.100 -0.026 0.000 1.091 195 T CB 0.036 68.891 68.868 -0.021 0.000 0.935 195 T HN 0.112 nan 8.240 nan 0.000 0.488 196 N N 0.895 119.443 118.700 -0.252 0.000 2.171 196 N HA 0.130 4.870 4.740 0.000 0.000 0.212 196 N C -0.610 174.437 175.510 -0.771 0.000 1.184 196 N CA -0.014 52.763 53.050 -0.454 0.000 0.888 196 N CB 0.676 38.862 38.487 -0.503 0.000 1.038 196 N HN 0.562 nan 8.380 nan 0.000 0.517 197 H N -0.718 118.148 119.070 -0.339 0.000 2.894 197 H HA 0.293 4.849 4.556 0.001 0.000 0.367 197 H C -0.671 174.679 175.328 0.037 0.000 1.144 197 H CA -0.378 55.513 56.048 -0.262 0.000 1.180 197 H CB 2.465 31.846 29.762 -0.636 0.000 1.758 197 H HN -0.158 nan 8.280 nan 0.000 0.541 198 T N 2.266 116.991 114.554 0.284 0.000 2.886 198 T HA 0.489 4.839 4.350 0.000 0.000 0.292 198 T C -0.722 174.232 174.700 0.424 0.000 1.012 198 T CA -0.725 61.606 62.100 0.385 0.000 0.982 198 T CB 0.754 69.781 68.868 0.265 0.000 1.018 198 T HN 0.343 nan 8.240 nan 0.000 0.451 199 L N 4.321 125.821 121.223 0.461 0.000 2.312 199 L HA 0.757 5.097 4.340 0.000 0.000 0.281 199 L C -0.045 177.001 176.870 0.293 0.000 1.070 199 L CA -0.935 54.137 54.840 0.387 0.000 0.805 199 L CB 1.599 43.901 42.059 0.404 0.000 1.174 199 L HN 0.507 nan 8.230 nan 0.000 0.434 200 V N 5.696 125.732 119.914 0.204 0.000 2.656 200 V HA 0.498 4.618 4.120 0.000 0.000 0.307 200 V C -0.936 175.264 176.094 0.176 0.000 1.051 200 V CA -0.549 61.797 62.300 0.076 0.000 0.893 200 V CB 2.194 33.911 31.823 -0.177 0.000 0.999 200 V HN 0.591 nan 8.190 nan 0.000 0.426 201 L N 7.590 128.902 121.223 0.150 0.000 2.307 201 L HA 0.760 5.100 4.340 0.000 0.000 0.284 201 L C -0.894 176.059 176.870 0.137 0.000 1.023 201 L CA -0.428 54.448 54.840 0.061 0.000 0.810 201 L CB 1.168 43.177 42.059 -0.082 0.000 1.231 201 L HN 0.951 nan 8.230 nan 0.000 0.423 202 H N 2.876 121.915 119.070 -0.051 0.000 2.977 202 H HA 0.700 5.256 4.556 0.000 0.000 0.350 202 H C -1.586 173.719 175.328 -0.038 0.000 1.238 202 H CA -0.886 55.141 56.048 -0.035 0.000 1.124 202 H CB 1.863 31.605 29.762 -0.033 0.000 1.866 202 H HN 0.297 nan 8.280 nan 0.000 0.550 203 V N 0.211 120.171 119.914 0.077 0.000 3.040 203 V HA 0.626 4.746 4.120 0.000 0.000 0.312 203 V C 0.459 176.593 176.094 0.067 0.000 1.115 203 V CA -0.687 61.620 62.300 0.013 0.000 0.998 203 V CB 1.675 33.483 31.823 -0.025 0.000 1.042 203 V HN 1.128 nan 8.190 nan 0.000 0.433 204 A N 1.996 124.845 122.820 0.049 0.000 2.386 204 A HA 0.395 4.715 4.320 0.000 0.000 0.248 204 A C 1.177 178.776 177.584 0.025 0.000 1.082 204 A CA -0.063 52.006 52.037 0.053 0.000 0.789 204 A CB 0.067 19.095 19.000 0.046 0.000 1.025 204 A HN 0.894 nan 8.150 nan 0.000 0.490 205 R N 0.806 121.320 120.500 0.024 0.000 2.127 205 R HA -0.140 4.200 4.340 0.000 0.000 0.238 205 R C 2.190 178.485 176.300 -0.009 0.000 1.134 205 R CA 1.734 57.840 56.100 0.009 0.000 0.975 205 R CB -0.216 30.093 30.300 0.014 0.000 0.865 205 R HN 0.906 nan 8.270 nan 0.000 0.447 206 S N 0.016 115.714 115.700 -0.002 0.000 2.555 206 S HA -0.056 4.414 4.470 0.000 0.000 0.230 206 S C 1.127 175.700 174.600 -0.044 0.000 0.978 206 S CA 0.797 58.989 58.200 -0.013 0.000 0.934 206 S CB 0.154 63.361 63.200 0.012 0.000 0.766 206 S HN 0.376 nan 8.310 nan 0.000 0.533 207 E N 0.440 120.611 120.200 -0.047 0.000 2.641 207 E HA 0.224 4.574 4.350 0.000 0.000 0.224 207 E C 1.712 178.243 176.600 -0.115 0.000 0.951 207 E CA 0.212 56.559 56.400 -0.090 0.000 1.102 207 E CB 0.129 29.818 29.700 -0.018 0.000 1.091 207 E HN 0.733 nan 8.360 nan 0.000 0.507 208 M N 1.251 120.798 119.600 -0.088 0.000 2.149 208 M HA -0.113 4.368 4.480 0.000 0.000 0.261 208 M C 1.508 177.726 176.300 -0.138 0.000 1.064 208 M CA 1.792 57.031 55.300 -0.102 0.000 1.102 208 M CB -0.560 31.998 32.600 -0.070 0.000 1.369 208 M HN -0.103 nan 8.290 nan 0.000 0.408 209 D N 0.629 120.946 120.400 -0.138 0.000 2.371 209 D HA -0.076 4.564 4.640 0.000 0.000 0.234 209 D C 1.027 177.212 176.300 -0.193 0.000 1.049 209 D CA 0.666 54.578 54.000 -0.147 0.000 0.907 209 D CB -0.146 40.581 40.800 -0.122 0.000 0.891 209 D HN 0.558 nan 8.370 nan 0.000 0.531 210 K N -0.451 119.806 120.400 -0.238 0.000 2.402 210 K HA 0.210 4.530 4.320 0.000 0.000 0.203 210 K C -0.010 176.475 176.600 -0.192 0.000 1.077 210 K CA -0.168 55.935 56.287 -0.308 0.000 1.051 210 K CB 2.138 34.248 32.500 -0.651 0.000 0.907 210 K HN -0.016 nan 8.250 nan 0.000 0.554 211 V N 0.494 120.312 119.914 -0.159 0.000 3.158 211 V HA 0.627 4.747 4.120 0.000 0.000 0.311 211 V C -1.956 174.052 176.094 -0.144 0.000 1.181 211 V CA -0.958 61.260 62.300 -0.137 0.000 1.054 211 V CB 2.271 34.010 31.823 -0.140 0.000 1.085 211 V HN 0.174 nan 8.190 nan 0.000 0.446 212 R N 1.969 122.395 120.500 -0.124 0.000 2.523 212 R HA 0.673 5.013 4.340 0.000 0.000 0.278 212 R C -2.543 173.721 176.300 -0.061 0.000 1.150 212 R CA -0.304 55.715 56.100 -0.135 0.000 0.987 212 R CB 1.841 32.097 30.300 -0.073 0.000 1.232 212 R HN 0.559 nan 8.270 nan 0.000 0.424 213 V N 5.355 125.180 119.914 -0.149 0.000 2.417 213 V HA 0.576 4.696 4.120 0.000 0.000 0.291 213 V C -0.730 175.342 176.094 -0.038 0.000 1.024 213 V CA -0.490 61.797 62.300 -0.021 0.000 0.861 213 V CB 1.264 33.039 31.823 -0.079 0.000 0.985 213 V HN 0.584 nan 8.190 nan 0.000 0.436 214 F N 2.548 122.551 119.950 0.088 0.000 2.443 214 F HA 0.504 5.031 4.527 0.000 0.000 0.335 214 F C 0.374 176.290 175.800 0.194 0.000 1.104 214 F CA -0.403 57.671 58.000 0.124 0.000 1.013 214 F CB 1.667 40.751 39.000 0.139 0.000 1.136 214 F HN 0.426 nan 8.300 nan 0.000 0.470 215 Q N 2.414 122.370 119.800 0.260 0.000 2.278 215 Q HA 0.670 5.010 4.340 0.000 0.000 0.257 215 Q C -0.997 175.047 176.000 0.072 0.000 0.928 215 Q CA -0.846 55.000 55.803 0.072 0.000 0.932 215 Q CB 1.394 30.146 28.738 0.024 0.000 1.221 215 Q HN 0.802 nan 8.270 nan 0.000 0.434 216 A N 3.752 126.560 122.820 -0.021 0.000 2.310 216 A HA 0.345 4.665 4.320 0.000 0.000 0.300 216 A C -0.381 177.196 177.584 -0.011 0.000 1.269 216 A CA -0.404 51.678 52.037 0.074 0.000 0.909 216 A CB 0.392 19.495 19.000 0.173 0.000 1.144 216 A HN 0.726 nan 8.150 nan 0.000 0.540 217 T N 4.751 119.324 114.554 0.031 0.000 2.747 217 T HA 0.350 4.700 4.350 0.000 0.000 0.301 217 T C 0.484 175.203 174.700 0.033 0.000 0.952 217 T CA -0.470 61.646 62.100 0.026 0.000 0.983 217 T CB 0.207 69.099 68.868 0.039 0.000 0.930 217 T HN 0.597 nan 8.240 nan 0.000 0.494 225 C N 0.654 120.018 119.300 0.108 0.000 2.516 225 C HA 0.663 5.124 4.460 0.000 0.000 0.338 225 C C -0.447 174.698 174.990 0.258 0.000 1.132 225 C CA -0.513 58.616 59.018 0.185 0.000 1.310 225 C CB 1.188 29.045 27.740 0.195 0.000 1.898 225 C HN 0.714 nan 8.230 nan 0.000 0.452 226 S N 1.534 117.350 115.700 0.193 0.000 2.568 226 S HA 0.713 5.183 4.470 0.000 0.000 0.302 226 S C -0.400 174.160 174.600 -0.066 0.000 1.082 226 S CA -0.335 57.931 58.200 0.111 0.000 1.009 226 S CB 1.180 64.441 63.200 0.101 0.000 1.069 226 S HN 0.549 nan 8.310 nan 0.000 0.500 227 V N 4.770 124.492 119.914 -0.321 0.000 2.540 227 V HA 0.072 4.192 4.120 0.000 0.000 0.297 227 V C 1.281 177.163 176.094 -0.353 0.000 1.024 227 V CA 0.692 62.607 62.300 -0.642 0.000 1.105 227 V CB 0.865 32.246 31.823 -0.737 0.000 0.938 227 V HN 0.832 nan 8.190 nan 0.000 0.482 228 V N 3.413 123.098 119.914 -0.381 0.000 3.359 228 V HA 0.473 4.593 4.120 0.000 0.000 0.245 228 V C 0.309 176.252 176.094 -0.252 0.000 1.247 228 V CA 0.350 62.473 62.300 -0.295 0.000 1.145 228 V CB 0.125 31.735 31.823 -0.356 0.000 0.906 228 V HN 0.501 nan 8.190 nan 0.000 0.464 229 L N 0.852 121.854 121.223 -0.368 0.000 2.401 229 L HA 0.940 5.280 4.340 0.000 0.000 0.266 229 L C 0.026 176.632 176.870 -0.441 0.000 0.991 229 L CA 0.177 54.835 54.840 -0.304 0.000 0.818 229 L CB 1.952 43.916 42.059 -0.158 0.000 1.321 229 L HN 0.419 nan 8.230 nan 0.000 0.413 230 G N 1.587 110.121 108.800 -0.443 0.000 2.340 230 G HA2 0.264 4.225 3.960 0.000 0.000 0.299 230 G HA3 0.264 4.225 3.960 0.000 0.000 0.299 230 G C -2.865 171.844 174.900 -0.317 0.000 1.291 230 G CA -0.486 44.374 45.100 -0.400 0.000 0.841 230 G HN 0.287 nan 8.290 nan 0.000 0.500 231 P HA -0.072 nan 4.420 nan 0.000 0.218 231 P C 1.525 178.737 177.300 -0.146 0.000 1.146 231 P CA 1.349 64.348 63.100 -0.167 0.000 0.813 231 P CB 0.211 31.828 31.700 -0.138 0.000 0.778 232 K N -1.582 118.668 120.400 -0.250 0.000 1.991 232 K HA -0.023 4.297 4.320 0.000 0.000 0.208 232 K C 0.577 177.210 176.600 0.055 0.000 1.038 232 K CA 0.882 57.088 56.287 -0.135 0.000 0.943 232 K CB -0.187 32.157 32.500 -0.260 0.000 0.736 232 K HN 0.198 nan 8.250 nan 0.000 0.440 233 W N 1.171 122.462 121.300 -0.015 0.000 2.632 233 W HA 0.297 4.957 4.660 -0.000 0.000 0.328 233 W C -2.431 174.086 176.519 -0.004 0.000 1.044 233 W CA -2.925 54.420 57.345 -0.000 0.000 1.225 233 W CB -0.104 29.372 29.460 0.027 0.000 1.396 233 W HN -0.014 nan 8.180 nan 0.000 0.499 234 P HA -0.059 nan 4.420 nan 0.000 0.230 234 P C 0.385 177.769 177.300 0.139 0.000 1.168 234 P CA 0.795 63.956 63.100 0.101 0.000 0.793 234 P CB 0.872 32.617 31.700 0.075 0.000 0.851 235 S N -1.015 114.793 115.700 0.180 0.000 2.632 235 S HA 0.596 5.066 4.470 0.000 0.000 0.289 235 S C -1.044 173.697 174.600 0.234 0.000 1.115 235 S CA -0.650 57.636 58.200 0.143 0.000 0.889 235 S CB 2.131 65.317 63.200 -0.024 0.000 1.116 235 S HN 0.168 nan 8.310 nan 0.000 0.486 236 H N -0.205 118.871 119.070 0.011 0.000 3.112 236 H HA 0.279 4.835 4.556 0.000 0.000 0.347 236 H C -2.112 173.198 175.328 -0.031 0.000 1.188 236 H CA -0.440 55.643 56.048 0.058 0.000 1.240 236 H CB 1.185 31.094 29.762 0.244 0.000 1.920 236 H HN 0.769 nan 8.280 nan 0.000 0.535 237 Y N 3.453 123.571 120.300 -0.302 0.000 2.304 237 Y HA 0.262 4.812 4.550 0.000 0.000 0.328 237 Y C 0.500 176.432 175.900 0.054 0.000 1.123 237 Y CA -0.401 57.646 58.100 -0.088 0.000 1.218 237 Y CB 1.013 39.390 38.460 -0.138 0.000 1.207 237 Y HN 0.263 nan 8.280 nan 0.000 0.495 238 L N 4.623 126.045 121.223 0.332 0.000 2.307 238 L HA 0.435 4.775 4.340 0.000 0.000 0.282 238 L C -0.274 176.694 176.870 0.164 0.000 1.051 238 L CA -0.603 54.422 54.840 0.308 0.000 0.804 238 L CB 0.942 43.194 42.059 0.322 0.000 1.197 238 L HN 0.549 nan 8.230 nan 0.000 0.431 239 M N 4.485 124.152 119.600 0.112 0.000 2.289 239 M HA 0.339 4.819 4.480 0.000 0.000 0.354 239 M C -1.027 175.221 176.300 -0.088 0.000 1.210 239 M CA -0.390 54.912 55.300 0.002 0.000 1.174 239 M CB 0.942 33.553 32.600 0.019 0.000 1.297 239 M HN 0.260 nan 8.290 nan 0.000 0.423 240 V N 5.337 125.091 119.914 -0.266 0.000 2.495 240 V HA 0.517 4.637 4.120 0.000 0.000 0.298 240 V C -1.985 173.727 176.094 -0.636 0.000 1.031 240 V CA -1.429 60.608 62.300 -0.439 0.000 0.871 240 V CB 1.761 33.258 31.823 -0.542 0.000 0.988 240 V HN 0.588 nan 8.190 nan 0.000 0.432 241 P HA 0.307 nan 4.420 nan 0.000 0.281 241 P C 0.193 177.541 177.300 0.080 0.000 1.249 241 P CA -0.017 62.970 63.100 -0.187 0.000 0.810 241 P CB 1.392 32.950 31.700 -0.237 0.000 1.008 242 G N 0.278 109.256 108.800 0.297 0.000 2.667 242 G HA2 0.426 4.387 3.960 0.000 0.000 0.250 242 G HA3 0.426 4.387 3.960 0.000 0.000 0.250 242 G C 0.420 175.455 174.900 0.225 0.000 1.212 242 G CA 0.376 45.722 45.100 0.409 0.000 0.874 242 G HN 0.873 nan 8.290 nan 0.000 0.561 243 G N -0.515 108.399 108.800 0.189 0.000 2.615 243 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 243 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 243 G C -0.149 174.830 174.900 0.131 0.000 1.339 243 G CA -0.043 45.127 45.100 0.118 0.000 0.884 243 G HN 0.791 nan 8.290 nan 0.000 0.559 244 K N 0.685 121.147 120.400 0.103 0.000 2.297 244 K HA 0.562 4.882 4.320 0.000 0.000 0.286 244 K C -0.004 176.703 176.600 0.178 0.000 1.053 244 K CA -0.049 56.302 56.287 0.106 0.000 0.940 244 K CB 1.175 33.713 32.500 0.063 0.000 1.019 244 K HN 0.885 nan 8.250 nan 0.000 0.475 245 H N 1.543 120.640 119.070 0.045 0.000 2.967 245 H HA 0.384 4.940 4.556 -0.000 0.000 0.318 245 H C -2.024 173.323 175.328 0.032 0.000 1.375 245 H CA -1.126 54.942 56.048 0.033 0.000 1.132 245 H CB 1.278 31.058 29.762 0.031 0.000 1.848 245 H HN 0.705 nan 8.280 nan 0.000 0.524 246 N N 1.809 119.975 118.700 -0.890 0.000 2.666 246 N HA 0.314 5.055 4.740 0.000 0.000 0.260 246 N C -1.472 173.650 175.510 -0.647 0.000 1.077 246 N CA -0.692 52.004 53.050 -0.590 0.000 1.026 246 N CB 0.992 39.348 38.487 -0.218 0.000 1.653 246 N HN 0.687 nan 8.380 nan 0.000 0.533 247 M N -0.677 118.655 119.600 -0.447 0.000 2.578 247 M HA 0.705 5.185 4.480 0.000 0.000 0.321 247 M C -1.456 174.609 176.300 -0.391 0.000 1.182 247 M CA -0.620 54.454 55.300 -0.377 0.000 0.965 247 M CB 1.591 33.980 32.600 -0.351 0.000 1.694 247 M HN 0.225 nan 8.290 nan 0.000 0.461 248 D N 1.844 121.984 120.400 -0.433 0.000 2.185 248 D HA 0.637 5.277 4.640 0.000 0.000 0.247 248 D C -1.348 174.576 176.300 -0.627 0.000 1.027 248 D CA 0.117 53.863 54.000 -0.423 0.000 0.861 248 D CB 1.477 42.083 40.800 -0.323 0.000 1.202 248 D HN 0.457 nan 8.370 nan 0.000 0.453 249 F N 0.597 120.359 119.950 -0.314 0.000 2.579 249 F HA 0.472 4.999 4.527 0.000 0.000 0.324 249 F C -0.507 175.024 175.800 -0.449 0.000 1.058 249 F CA -0.967 56.913 58.000 -0.200 0.000 0.944 249 F CB 1.416 40.369 39.000 -0.079 0.000 1.245 249 F HN 0.148 nan 8.300 nan 0.000 0.477 250 Y N 1.008 121.456 120.300 0.247 0.000 2.338 250 Y HA 0.629 5.179 4.550 0.000 0.000 0.333 250 Y C -0.657 175.313 175.900 0.116 0.000 0.968 250 Y CA -1.063 57.105 58.100 0.114 0.000 1.123 250 Y CB 1.872 40.343 38.460 0.020 0.000 1.165 250 Y HN 0.227 nan 8.280 nan 0.000 0.452 251 V N 3.513 123.481 119.914 0.090 0.000 2.547 251 V HA 0.584 4.705 4.120 0.000 0.000 0.299 251 V C -0.585 175.468 176.094 -0.069 0.000 1.040 251 V CA -0.930 61.335 62.300 -0.058 0.000 0.913 251 V CB 1.771 33.354 31.823 -0.400 0.000 0.992 251 V HN 0.816 nan 8.190 nan 0.000 0.449 252 E N 2.588 122.757 120.200 -0.053 0.000 2.383 252 E HA 0.839 5.189 4.350 0.000 0.000 0.275 252 E C -0.994 175.559 176.600 -0.078 0.000 0.918 252 E CA -1.034 55.340 56.400 -0.044 0.000 0.764 252 E CB 2.282 31.990 29.700 0.012 0.000 1.252 252 E HN 0.766 nan 8.360 nan 0.000 0.449 253 A N 2.173 124.944 122.820 -0.082 0.000 2.303 253 A HA 0.539 4.859 4.320 0.000 0.000 0.317 253 A C 0.178 177.710 177.584 -0.087 0.000 1.149 253 A CA -0.866 51.120 52.037 -0.084 0.000 0.822 253 A CB 0.236 19.188 19.000 -0.080 0.000 1.131 253 A HN 0.680 nan 8.150 nan 0.000 0.493 254 L N 0.822 121.996 121.223 -0.081 0.000 2.910 254 L HA 0.533 4.874 4.340 0.000 0.000 0.252 254 L C 0.443 177.282 176.870 -0.052 0.000 1.195 254 L CA 0.382 55.181 54.840 -0.069 0.000 1.003 254 L CB -0.078 41.936 42.059 -0.075 0.000 1.328 254 L HN 0.739 nan 8.230 nan 0.000 0.540 255 A N -0.229 122.573 122.820 -0.030 0.000 2.518 255 A HA 0.589 4.909 4.320 0.000 0.000 0.295 255 A C -0.889 176.848 177.584 0.256 0.000 1.052 255 A CA -0.508 51.587 52.037 0.096 0.000 0.824 255 A CB 0.567 19.565 19.000 -0.005 0.000 1.325 255 A HN -0.008 nan 8.150 nan 0.000 0.394 256 F N 1.912 122.007 119.950 0.241 0.000 2.472 256 F HA 0.399 4.927 4.527 0.000 0.000 0.312 256 F C -1.613 174.333 175.800 0.243 0.000 1.256 256 F CA -0.817 57.303 58.000 0.200 0.000 1.275 256 F CB 0.302 39.452 39.000 0.250 0.000 1.228 256 F HN 0.316 nan 8.300 nan 0.000 0.567 257 P HA 0.148 nan 4.420 nan 0.000 0.272 257 P C -1.159 176.247 177.300 0.177 0.000 1.240 257 P CA 0.150 63.232 63.100 -0.031 0.000 0.791 257 P CB 0.638 32.215 31.700 -0.206 0.000 0.978 258 D N -1.699 118.811 120.400 0.184 0.000 2.725 258 D HA 0.064 4.704 4.640 0.000 0.000 0.292 258 D C 0.543 176.940 176.300 0.161 0.000 1.288 258 D CA -0.216 53.918 54.000 0.223 0.000 0.784 258 D CB 0.791 41.782 40.800 0.319 0.000 1.308 258 D HN 0.148 nan 8.370 nan 0.000 0.429 259 T N -0.389 114.250 114.554 0.141 0.000 2.969 259 T HA -0.143 4.207 4.350 0.000 0.000 0.271 259 T C 0.703 175.470 174.700 0.112 0.000 1.127 259 T CA 1.432 63.594 62.100 0.103 0.000 1.102 259 T CB -0.204 68.716 68.868 0.086 0.000 0.855 259 T HN 0.378 nan 8.240 nan 0.000 0.536 260 D N -0.759 119.732 120.400 0.152 0.000 2.650 260 D HA 0.187 4.827 4.640 0.000 0.000 0.265 260 D C -0.411 176.041 176.300 0.253 0.000 1.339 260 D CA -0.708 53.384 54.000 0.153 0.000 0.816 260 D CB -0.218 40.650 40.800 0.113 0.000 1.091 260 D HN 0.299 nan 8.370 nan 0.000 0.483 261 F N 0.861 120.839 119.950 0.046 0.000 3.483 261 F HA 0.345 4.872 4.527 0.000 0.000 0.393 261 F C -2.464 173.356 175.800 0.033 0.000 1.240 261 F CA -2.163 55.858 58.000 0.036 0.000 1.320 261 F CB 1.609 40.633 39.000 0.040 0.000 1.965 261 F HN -0.327 nan 8.300 nan 0.000 0.715 262 P HA 0.074 nan 4.420 nan 0.000 0.217 262 P C 0.984 178.006 177.300 -0.463 0.000 1.148 262 P CA 3.079 66.075 63.100 -0.173 0.000 0.828 262 P CB 0.254 31.925 31.700 -0.048 0.000 0.783 263 G N -3.601 104.592 108.800 -1.012 0.000 2.227 263 G HA2 -0.135 3.825 3.960 0.000 0.000 0.168 263 G HA3 -0.135 3.825 3.960 0.000 0.000 0.168 263 G C -0.173 174.331 174.900 -0.660 0.000 1.006 263 G CA -0.565 43.835 45.100 -1.167 0.000 0.684 263 G HN 0.196 nan 8.290 nan 0.000 0.489 264 L N 1.031 122.048 121.223 -0.344 0.000 2.322 264 L HA 0.781 5.121 4.340 0.000 0.000 0.279 264 L C 0.200 177.150 176.870 0.135 0.000 1.036 264 L CA -0.975 53.800 54.840 -0.108 0.000 0.807 264 L CB 1.684 43.712 42.059 -0.051 0.000 1.226 264 L HN 0.027 nan 8.230 nan 0.000 0.433 265 I N 1.481 122.139 120.570 0.147 0.000 2.534 265 I HA 0.301 4.471 4.170 0.000 0.000 0.288 265 I C -0.672 175.544 176.117 0.165 0.000 1.077 265 I CA -0.244 61.160 61.300 0.174 0.000 1.051 265 I CB 2.486 40.575 38.000 0.149 0.000 1.234 265 I HN 0.525 nan 8.210 nan 0.000 0.425 266 T N 6.941 121.561 114.554 0.110 0.000 2.797 266 T HA 0.596 4.946 4.350 0.000 0.000 0.279 266 T C -0.347 174.372 174.700 0.031 0.000 0.991 266 T CA -0.488 61.664 62.100 0.087 0.000 0.979 266 T CB 1.212 70.106 68.868 0.044 0.000 0.943 266 T HN 0.262 nan 8.240 nan 0.000 0.444 267 L N 3.372 124.617 121.223 0.037 0.000 2.305 267 L HA 0.529 4.870 4.340 0.000 0.000 0.284 267 L C 0.175 176.943 176.870 -0.170 0.000 1.013 267 L CA -0.726 54.073 54.840 -0.068 0.000 0.819 267 L CB 1.575 43.635 42.059 0.001 0.000 1.227 267 L HN 0.603 nan 8.230 nan 0.000 0.417 268 T N 3.152 117.483 114.554 -0.372 0.000 2.918 268 T HA 0.576 4.926 4.350 0.000 0.000 0.286 268 T C -0.660 173.747 174.700 -0.488 0.000 1.026 268 T CA -0.422 61.410 62.100 -0.447 0.000 1.031 268 T CB 2.538 71.078 68.868 -0.546 0.000 1.046 268 T HN 0.278 nan 8.240 nan 0.000 0.479 269 I N 1.819 122.250 120.570 -0.232 0.000 2.404 269 I HA 0.540 4.710 4.170 0.000 0.000 0.293 269 I C -0.598 175.550 176.117 0.052 0.000 0.992 269 I CA 0.043 61.311 61.300 -0.054 0.000 1.149 269 I CB 1.487 39.499 38.000 0.020 0.000 1.315 269 I HN 0.523 nan 8.210 nan 0.000 0.446 270 S N 7.235 123.053 115.700 0.196 0.000 2.482 270 S HA 0.626 5.096 4.470 0.000 0.000 0.303 270 S C -1.052 173.699 174.600 0.252 0.000 1.091 270 S CA -0.497 57.824 58.200 0.201 0.000 1.057 270 S CB 1.564 64.888 63.200 0.208 0.000 1.031 270 S HN 0.578 nan 8.310 nan 0.000 0.485 271 L N 4.734 126.135 121.223 0.296 0.000 2.277 271 L HA 0.577 4.917 4.340 0.000 0.000 0.284 271 L C -1.421 175.623 176.870 0.290 0.000 1.028 271 L CA -0.217 54.836 54.840 0.355 0.000 0.835 271 L CB 0.078 42.403 42.059 0.443 0.000 1.215 271 L HN 0.569 nan 8.230 nan 0.000 0.425 272 L N 3.600 124.986 121.223 0.272 0.000 2.322 272 L HA 0.519 4.859 4.340 0.000 0.000 0.279 272 L C -0.417 176.587 176.870 0.223 0.000 1.036 272 L CA -0.809 54.161 54.840 0.216 0.000 0.807 272 L CB 1.521 43.688 42.059 0.180 0.000 1.226 272 L HN 0.500 nan 8.230 nan 0.000 0.433 273 D N 1.197 121.694 120.400 0.162 0.000 2.198 273 D HA 0.321 4.961 4.640 0.000 0.000 0.245 273 D C -0.190 176.059 176.300 -0.084 0.000 1.079 273 D CA -0.189 53.821 54.000 0.017 0.000 0.854 273 D CB 1.413 42.254 40.800 0.069 0.000 1.148 273 D HN 0.604 nan 8.370 nan 0.000 0.456 274 T N -0.088 114.336 114.554 -0.217 0.000 3.697 274 T HA 0.145 4.495 4.350 0.000 0.000 0.260 274 T C 1.022 175.603 174.700 -0.197 0.000 0.998 274 T CA -0.275 61.737 62.100 -0.146 0.000 1.128 274 T CB -0.341 68.467 68.868 -0.099 0.000 1.082 274 T HN 0.229 nan 8.240 nan 0.000 0.541 275 S N 0.582 116.147 115.700 -0.225 0.000 2.478 275 S HA 0.127 4.598 4.470 0.000 0.000 0.222 275 S C 0.444 174.968 174.600 -0.126 0.000 1.008 275 S CA -0.083 57.994 58.200 -0.204 0.000 0.928 275 S CB -0.382 62.688 63.200 -0.216 0.000 0.781 275 S HN 0.423 nan 8.310 nan 0.000 0.518 276 N N 1.228 119.869 118.700 -0.098 0.000 2.425 276 N HA 0.477 5.217 4.740 0.000 0.000 0.268 276 N C -0.032 175.440 175.510 -0.063 0.000 0.991 276 N CA -0.455 52.553 53.050 -0.069 0.000 0.931 276 N CB 1.475 39.932 38.487 -0.051 0.000 1.130 276 N HN 0.003 nan 8.380 nan 0.000 0.493 277 L N 1.500 122.688 121.223 -0.059 0.000 2.291 277 L HA 0.041 4.381 4.340 0.000 0.000 0.214 277 L C 1.963 178.808 176.870 -0.042 0.000 1.120 277 L CA 1.400 56.208 54.840 -0.053 0.000 0.799 277 L CB -0.245 41.784 42.059 -0.051 0.000 0.925 277 L HN 0.592 nan 8.230 nan 0.000 0.446 278 E N -0.362 119.816 120.200 -0.037 0.000 2.014 278 E HA 0.051 4.401 4.350 0.000 0.000 0.190 278 E C 0.923 177.509 176.600 -0.024 0.000 0.980 278 E CA 0.325 56.708 56.400 -0.029 0.000 0.807 278 E CB -0.235 29.450 29.700 -0.026 0.000 0.770 278 E HN 0.280 nan 8.360 nan 0.000 0.451 279 L N 2.786 123.995 121.223 -0.023 0.000 2.482 279 L HA 0.107 4.447 4.340 0.000 0.000 0.273 279 L C -1.587 175.273 176.870 -0.015 0.000 1.228 279 L CA -1.352 53.478 54.840 -0.017 0.000 0.827 279 L CB -0.704 41.346 42.059 -0.015 0.000 1.099 279 L HN 0.075 nan 8.230 nan 0.000 0.494 280 P HA 0.112 nan 4.420 nan 0.000 0.279 280 P C -1.099 176.203 177.300 0.003 0.000 1.282 280 P CA -0.706 62.393 63.100 -0.002 0.000 0.788 280 P CB 0.367 32.069 31.700 0.003 0.000 1.139 281 E N -0.373 119.836 120.200 0.015 0.000 2.392 281 E HA 0.402 4.752 4.350 0.000 0.000 0.264 281 E C -0.746 175.876 176.600 0.035 0.000 1.024 281 E CA -0.803 55.614 56.400 0.028 0.000 0.903 281 E CB 0.319 30.054 29.700 0.058 0.000 0.963 281 E HN 0.415 nan 8.360 nan 0.000 0.432 282 A N 3.878 126.725 122.820 0.044 0.000 2.291 282 A HA 0.367 4.688 4.320 0.000 0.000 0.311 282 A C -0.317 177.318 177.584 0.085 0.000 1.224 282 A CA -0.922 51.148 52.037 0.054 0.000 0.821 282 A CB 1.156 20.185 19.000 0.049 0.000 1.172 282 A HN 0.488 nan 8.150 nan 0.000 0.494 283 V N 3.675 123.636 119.914 0.078 0.000 2.540 283 V HA -0.002 4.119 4.120 0.000 0.000 0.297 283 V C 1.256 177.426 176.094 0.128 0.000 1.024 283 V CA 0.364 62.725 62.300 0.101 0.000 1.105 283 V CB 0.868 32.732 31.823 0.068 0.000 0.938 283 V HN 0.721 nan 8.190 nan 0.000 0.482 284 V N 5.106 125.130 119.914 0.183 0.000 3.085 284 V HA 0.305 4.426 4.120 0.000 0.000 0.245 284 V C 0.134 176.400 176.094 0.287 0.000 1.114 284 V CA 0.807 63.234 62.300 0.211 0.000 1.108 284 V CB 0.278 32.241 31.823 0.233 0.000 0.798 284 V HN 0.795 nan 8.190 nan 0.000 0.471 285 F N 0.179 120.181 119.950 0.088 0.000 2.669 285 F HA 0.559 5.087 4.527 0.001 0.000 0.315 285 F C -1.402 174.448 175.800 0.084 0.000 1.109 285 F CA -0.671 57.373 58.000 0.072 0.000 1.028 285 F CB 1.163 40.198 39.000 0.059 0.000 1.287 285 F HN -0.077 nan 8.300 nan 0.000 0.452 286 Q N 3.846 123.176 119.800 -0.782 0.000 2.394 286 Q HA 0.526 4.867 4.340 0.000 0.000 0.273 286 Q C -2.000 173.432 176.000 -0.947 0.000 1.089 286 Q CA -1.114 54.291 55.803 -0.662 0.000 0.812 286 Q CB 2.933 31.530 28.738 -0.235 0.000 1.353 286 Q HN 0.695 nan 8.270 nan 0.000 0.438 287 D N 0.069 120.102 120.400 -0.611 0.000 2.655 287 D HA 0.567 5.207 4.640 0.000 0.000 0.229 287 D C -1.583 174.602 176.300 -0.191 0.000 1.229 287 D CA -0.205 53.580 54.000 -0.358 0.000 0.807 287 D CB 2.023 42.693 40.800 -0.216 0.000 1.514 287 D HN 0.560 nan 8.370 nan 0.000 0.444 288 S N -0.345 115.276 115.700 -0.132 0.000 2.656 288 S HA 0.788 5.258 4.470 0.000 0.000 0.273 288 S C -0.947 173.595 174.600 -0.097 0.000 1.168 288 S CA -0.676 57.454 58.200 -0.117 0.000 0.817 288 S CB 1.025 64.151 63.200 -0.124 0.000 1.146 288 S HN 0.967 nan 8.310 nan 0.000 0.475 289 V N -1.621 118.234 119.914 -0.098 0.000 2.735 289 V HA 0.924 5.044 4.120 0.000 0.000 0.310 289 V C -1.015 175.001 176.094 -0.129 0.000 1.061 289 V CA -0.824 61.377 62.300 -0.166 0.000 0.913 289 V CB 1.460 33.115 31.823 -0.280 0.000 1.005 289 V HN 0.833 nan 8.190 nan 0.000 0.428 290 V N 4.855 124.685 119.914 -0.140 0.000 2.334 290 V HA 0.531 4.652 4.120 0.000 0.000 0.281 290 V C -0.447 175.660 176.094 0.022 0.000 1.016 290 V CA -0.115 62.191 62.300 0.011 0.000 0.832 290 V CB 0.790 32.667 31.823 0.091 0.000 0.999 290 V HN 0.771 nan 8.190 nan 0.000 0.439 291 F N 3.641 123.622 119.950 0.052 0.000 2.403 291 F HA 0.685 5.212 4.527 0.000 0.000 0.326 291 F C 0.545 176.247 175.800 -0.163 0.000 1.081 291 F CA -0.551 57.463 58.000 0.023 0.000 1.041 291 F CB 1.250 40.251 39.000 0.001 0.000 1.234 291 F HN 0.338 nan 8.300 nan 0.000 0.503 292 R N 1.254 121.692 120.500 -0.103 0.000 2.513 292 R HA 0.620 4.960 4.340 0.000 0.000 0.301 292 R C -1.988 174.198 176.300 -0.190 0.000 0.968 292 R CA -0.630 55.165 56.100 -0.508 0.000 0.872 292 R CB 1.558 30.916 30.300 -1.569 0.000 1.177 292 R HN 0.536 nan 8.270 nan 0.000 0.444 293 V N 4.085 123.868 119.914 -0.217 0.000 2.508 293 V HA 0.223 4.344 4.120 0.000 0.000 0.281 293 V C 0.713 176.665 176.094 -0.236 0.000 1.041 293 V CA -0.196 62.011 62.300 -0.155 0.000 1.016 293 V CB 0.952 32.694 31.823 -0.135 0.000 0.984 293 V HN 0.954 nan 8.190 nan 0.000 0.478 294 A N 9.430 132.153 122.820 -0.163 0.000 2.546 294 A HA 0.369 4.689 4.320 0.000 0.000 0.243 294 A C -1.643 175.688 177.584 -0.421 0.000 1.063 294 A CA -0.584 51.234 52.037 -0.365 0.000 0.757 294 A CB -0.310 18.655 19.000 -0.059 0.000 0.991 294 A HN 0.701 nan 8.150 nan 0.000 0.503 295 P HA 0.153 nan 4.420 nan 0.000 0.276 295 P C -0.805 176.423 177.300 -0.120 0.000 1.261 295 P CA -0.479 62.428 63.100 -0.322 0.000 0.800 295 P CB 0.576 31.994 31.700 -0.469 0.000 1.066 296 W N 2.300 123.469 121.300 -0.219 0.000 2.338 296 W HA 0.483 5.143 4.660 0.000 0.000 0.307 296 W C -1.028 175.276 176.519 -0.358 0.000 1.167 296 W CA -0.229 56.933 57.345 -0.304 0.000 1.208 296 W CB 0.140 29.230 29.460 -0.618 0.000 1.228 296 W HN 0.141 nan 8.180 nan 0.000 0.499 297 I N 8.270 128.124 120.570 -1.194 0.000 2.433 297 I HA 0.284 4.454 4.170 0.000 0.000 0.292 297 I C 0.161 175.561 176.117 -1.194 0.000 1.001 297 I CA -1.144 59.504 61.300 -1.087 0.000 1.119 297 I CB 1.761 39.115 38.000 -1.076 0.000 1.289 297 I HN 0.369 nan 8.210 nan 0.000 0.438 298 M N 4.028 123.151 119.600 -0.795 0.000 2.288 298 M HA 0.279 4.760 4.480 0.000 0.000 0.334 298 M C -0.168 176.077 176.300 -0.092 0.000 1.150 298 M CA 0.081 55.087 55.300 -0.491 0.000 1.118 298 M CB 1.459 33.900 32.600 -0.264 0.000 1.501 298 M HN 0.525 nan 8.290 nan 0.000 0.462 299 T N 5.475 120.020 114.554 -0.016 0.000 2.772 299 T HA 0.562 4.912 4.350 0.000 0.000 0.288 299 T C -2.472 172.217 174.700 -0.018 0.000 0.994 299 T CA -1.645 60.462 62.100 0.011 0.000 0.951 299 T CB 0.940 69.798 68.868 -0.017 0.000 0.933 299 T HN 0.474 nan 8.240 nan 0.000 0.447 300 P HA 0.212 nan 4.420 nan 0.000 0.272 300 P C 0.387 177.652 177.300 -0.059 0.000 1.240 300 P CA -0.405 62.660 63.100 -0.058 0.000 0.791 300 P CB 0.813 32.465 31.700 -0.080 0.000 0.978 301 N N 0.030 118.724 118.700 -0.010 0.000 2.519 301 N HA -0.085 4.655 4.740 0.000 0.000 0.186 301 N C 1.423 176.943 175.510 0.017 0.000 1.062 301 N CA 1.371 54.439 53.050 0.029 0.000 0.910 301 N CB -0.848 37.696 38.487 0.095 0.000 0.958 301 N HN 0.581 nan 8.380 nan 0.000 0.445 302 T N -2.275 112.273 114.554 -0.010 0.000 3.160 302 T HA 0.052 4.402 4.350 0.000 0.000 0.257 302 T C 0.678 175.351 174.700 -0.045 0.000 1.147 302 T CA 0.186 62.294 62.100 0.013 0.000 1.064 302 T CB 0.172 69.063 68.868 0.038 0.000 0.949 302 T HN -0.094 nan 8.240 nan 0.000 0.526 303 Q N 2.015 121.747 119.800 -0.113 0.000 2.230 303 Q HA 0.410 4.750 4.340 0.000 0.000 0.253 303 Q C -2.772 173.166 176.000 -0.103 0.000 0.919 303 Q CA -2.892 52.805 55.803 -0.177 0.000 0.908 303 Q CB 1.301 29.844 28.738 -0.324 0.000 1.245 303 Q HN 0.174 nan 8.270 nan 0.000 0.437 304 P HA 0.043 nan 4.420 nan 0.000 0.263 304 P C -2.335 174.928 177.300 -0.062 0.000 1.195 304 P CA -0.679 62.384 63.100 -0.063 0.000 0.762 304 P CB -0.011 31.652 31.700 -0.061 0.000 0.799 305 P HA 0.068 nan 4.420 nan 0.000 0.271 305 P C -0.135 177.145 177.300 -0.033 0.000 1.216 305 P CA 0.260 63.343 63.100 -0.029 0.000 0.771 305 P CB 1.171 32.859 31.700 -0.021 0.000 0.864 306 Q N 0.916 120.707 119.800 -0.015 0.000 2.353 306 Q HA 0.154 4.495 4.340 0.000 0.000 0.240 306 Q C 0.229 176.221 176.000 -0.014 0.000 0.868 306 Q CA 0.365 56.160 55.803 -0.014 0.000 0.944 306 Q CB 0.995 29.730 28.738 -0.004 0.000 1.104 306 Q HN 0.595 nan 8.270 nan 0.000 0.531 307 E N -0.156 120.041 120.200 -0.006 0.000 2.478 307 E HA 0.260 4.610 4.350 0.000 0.000 0.293 307 E C -1.856 174.663 176.600 -0.135 0.000 1.011 307 E CA -0.345 55.987 56.400 -0.113 0.000 0.834 307 E CB 1.748 31.372 29.700 -0.125 0.000 1.226 307 E HN -0.120 nan 8.360 nan 0.000 0.419 308 V N 3.703 123.462 119.914 -0.258 0.000 2.581 308 V HA 0.572 4.692 4.120 0.000 0.000 0.303 308 V C -1.056 174.847 176.094 -0.318 0.000 1.041 308 V CA -0.553 61.670 62.300 -0.128 0.000 0.907 308 V CB 1.188 32.982 31.823 -0.049 0.000 0.994 308 V HN 0.561 nan 8.190 nan 0.000 0.442 309 Y N 1.506 121.823 120.300 0.029 0.000 2.499 309 Y HA 0.845 5.395 4.550 0.000 0.000 0.347 309 Y C 0.236 176.145 175.900 0.015 0.000 0.987 309 Y CA -0.708 57.401 58.100 0.014 0.000 1.044 309 Y CB 2.241 40.705 38.460 0.006 0.000 1.245 309 Y HN 0.802 nan 8.280 nan 0.000 0.461 310 A N 0.931 123.836 122.820 0.142 0.000 2.539 310 A HA 0.817 5.138 4.320 0.000 0.000 0.296 310 A C -1.123 176.502 177.584 0.069 0.000 1.073 310 A CA -0.788 51.302 52.037 0.089 0.000 0.700 310 A CB 0.643 19.676 19.000 0.055 0.000 1.296 310 A HN 1.036 nan 8.150 nan 0.000 0.405 311 C N 0.359 119.690 119.300 0.052 0.000 2.456 311 C HA 0.856 5.316 4.460 0.000 0.000 0.325 311 C C 0.996 176.002 174.990 0.027 0.000 1.217 311 C CA -0.496 58.543 59.018 0.036 0.000 1.687 311 C CB 0.528 28.285 27.740 0.027 0.000 2.270 311 C HN 1.208 nan 8.230 nan 0.000 0.499 321 K N -0.574 119.845 120.400 0.030 0.000 2.761 321 K HA 0.337 4.657 4.320 0.000 0.000 0.196 321 K C 0.746 177.362 176.600 0.026 0.000 1.134 321 K CA -0.034 56.267 56.287 0.024 0.000 1.082 321 K CB 1.235 33.746 32.500 0.020 0.000 0.768 321 K HN -0.067 nan 8.250 nan 0.000 0.475 322 S N 0.144 115.864 115.700 0.032 0.000 2.446 322 S HA -0.072 4.398 4.470 0.000 0.000 0.225 322 S C 1.716 176.332 174.600 0.027 0.000 1.016 322 S CA 0.428 58.648 58.200 0.033 0.000 0.943 322 S CB 0.332 63.557 63.200 0.042 0.000 0.786 322 S HN 0.252 nan 8.310 nan 0.000 0.508 323 V N 1.962 121.892 119.914 0.025 0.000 2.453 323 V HA -0.121 3.999 4.120 0.000 0.000 0.247 323 V C 2.548 178.648 176.094 0.010 0.000 1.048 323 V CA 2.344 64.656 62.300 0.020 0.000 1.049 323 V CB -0.701 31.136 31.823 0.024 0.000 0.672 323 V HN 0.645 nan 8.190 nan 0.000 0.457 324 T N -1.764 112.795 114.554 0.007 0.000 2.904 324 T HA -0.161 4.189 4.350 0.000 0.000 0.267 324 T C 1.754 176.454 174.700 -0.000 0.000 1.059 324 T CA 2.266 64.364 62.100 -0.003 0.000 1.137 324 T CB -0.472 68.395 68.868 -0.002 0.000 0.879 324 T HN 0.586 nan 8.240 nan 0.000 0.467 325 T N 1.515 116.075 114.554 0.010 0.000 2.985 325 T HA 0.233 4.583 4.350 0.000 0.000 0.266 325 T C 1.781 176.495 174.700 0.023 0.000 1.076 325 T CA 0.651 62.761 62.100 0.016 0.000 1.135 325 T CB -0.229 68.653 68.868 0.023 0.000 0.890 325 T HN 0.276 nan 8.240 nan 0.000 0.480 326 L N 0.710 121.948 121.223 0.024 0.000 2.023 326 L HA 0.011 4.351 4.340 0.000 0.000 0.205 326 L C 2.856 179.731 176.870 0.009 0.000 1.073 326 L CA 1.232 56.096 54.840 0.039 0.000 0.745 326 L CB -0.552 41.526 42.059 0.033 0.000 0.900 326 L HN 0.253 nan 8.230 nan 0.000 0.435 327 A N -0.455 122.356 122.820 -0.015 0.000 1.940 327 A HA -0.289 4.031 4.320 0.000 0.000 0.219 327 A C 2.276 179.821 177.584 -0.065 0.000 1.176 327 A CA 1.896 53.904 52.037 -0.048 0.000 0.631 327 A CB -0.596 18.376 19.000 -0.048 0.000 0.814 327 A HN 0.469 nan 8.150 nan 0.000 0.446 328 M N -0.437 119.140 119.600 -0.038 0.000 2.065 328 M HA -0.161 4.320 4.480 0.000 0.000 0.259 328 M C 1.802 178.074 176.300 -0.047 0.000 1.069 328 M CA 1.825 57.104 55.300 -0.034 0.000 1.110 328 M CB -0.573 32.021 32.600 -0.010 0.000 1.328 328 M HN 0.301 nan 8.290 nan 0.000 0.405 329 K N -0.278 120.110 120.400 -0.021 0.000 2.148 329 K HA 0.011 4.331 4.320 0.000 0.000 0.204 329 K C 1.632 178.027 176.600 -0.342 0.000 1.050 329 K CA 1.266 57.554 56.287 0.001 0.000 0.942 329 K CB -0.589 32.061 32.500 0.250 0.000 0.724 329 K HN 0.372 nan 8.250 nan 0.000 0.446 330 A N 2.150 124.721 122.820 -0.414 0.000 2.261 330 A HA -0.054 4.266 4.320 0.000 0.000 0.208 330 A C 0.448 177.851 177.584 -0.300 0.000 1.223 330 A CA 0.362 52.055 52.037 -0.573 0.000 0.833 330 A CB -0.849 17.967 19.000 -0.306 0.000 0.830 330 A HN 0.447 nan 8.150 nan 0.000 0.483 331 K N -2.036 118.241 120.400 -0.205 0.000 3.071 331 K HA -0.226 4.094 4.320 0.000 0.000 0.262 331 K C -0.390 176.150 176.600 -0.099 0.000 0.977 331 K CA 0.716 56.930 56.287 -0.122 0.000 0.721 331 K CB -3.119 29.317 32.500 -0.106 0.000 1.293 331 K HN 0.600 nan 8.250 nan 0.000 0.475 332 C N 0.760 120.003 119.300 -0.096 0.000 2.712 332 C HA 0.600 5.060 4.460 0.000 0.000 0.308 332 C C 0.208 175.152 174.990 -0.077 0.000 1.201 332 C CA -0.855 58.115 59.018 -0.080 0.000 1.554 332 C CB 1.786 29.479 27.740 -0.079 0.000 2.117 332 C HN 0.748 nan 8.230 nan 0.000 0.480 333 K N 2.918 123.271 120.400 -0.080 0.000 2.132 333 K HA 0.583 4.903 4.320 0.000 0.000 0.240 333 K C -1.192 175.333 176.600 -0.126 0.000 1.036 333 K CA -0.117 56.115 56.287 -0.092 0.000 0.888 333 K CB 0.506 32.951 32.500 -0.091 0.000 1.071 333 K HN 0.630 nan 8.250 nan 0.000 0.502 334 L N 2.335 123.479 121.223 -0.132 0.000 2.543 334 L HA 0.383 4.723 4.340 0.000 0.000 0.265 334 L C -1.658 175.123 176.870 -0.147 0.000 0.945 334 L CA -0.063 54.688 54.840 -0.148 0.000 0.869 334 L CB 1.611 43.618 42.059 -0.086 0.000 1.294 334 L HN 1.066 nan 8.230 nan 0.000 0.405 335 T N 2.065 116.499 114.554 -0.200 0.000 2.952 335 T HA 0.731 5.081 4.350 0.000 0.000 0.305 335 T C -0.391 174.279 174.700 -0.049 0.000 1.064 335 T CA -0.610 61.416 62.100 -0.123 0.000 1.008 335 T CB 2.136 70.922 68.868 -0.138 0.000 1.078 335 T HN 0.211 nan 8.240 nan 0.000 0.459 336 I N 2.141 122.709 120.570 -0.004 0.000 2.783 336 I HA 0.551 4.721 4.170 0.000 0.000 0.312 336 I C 1.366 177.510 176.117 0.047 0.000 0.988 336 I CA -0.717 60.599 61.300 0.027 0.000 1.182 336 I CB 1.140 39.149 38.000 0.015 0.000 1.368 336 I HN 1.132 nan 8.210 nan 0.000 0.511 350 D N 2.677 123.085 120.400 0.013 0.000 2.644 350 D HA 0.010 4.650 4.640 0.000 0.000 0.252 350 D C 0.244 176.540 176.300 -0.007 0.000 1.254 350 D CA 0.178 54.190 54.000 0.019 0.000 0.884 350 D CB 0.344 41.178 40.800 0.057 0.000 1.034 350 D HN 0.622 nan 8.370 nan 0.000 0.473 351 E N -0.433 119.726 120.200 -0.068 0.000 2.474 351 E HA 0.112 4.462 4.350 0.000 0.000 0.195 351 E C 0.185 176.548 176.600 -0.396 0.000 1.039 351 E CA 0.093 56.410 56.400 -0.137 0.000 0.881 351 E CB 0.163 29.790 29.700 -0.122 0.000 0.970 351 E HN 0.479 nan 8.360 nan 0.000 0.486 352 M N -0.960 118.437 119.600 -0.339 0.000 2.690 352 M HA 0.570 5.050 4.480 0.000 0.000 0.302 352 M C -0.901 175.283 176.300 -0.192 0.000 1.234 352 M CA -1.055 53.945 55.300 -0.500 0.000 0.853 352 M CB 1.989 34.408 32.600 -0.301 0.000 1.748 352 M HN -0.341 nan 8.290 nan 0.000 0.469 353 E N 1.029 121.191 120.200 -0.064 0.000 2.241 353 E HA 0.590 4.940 4.350 0.000 0.000 0.263 353 E C -1.847 174.987 176.600 0.389 0.000 0.882 353 E CA -0.329 56.234 56.400 0.272 0.000 0.769 353 E CB 1.269 31.311 29.700 0.570 0.000 1.185 353 E HN 0.776 nan 8.360 nan 0.000 0.415 354 I N 4.533 125.284 120.570 0.301 0.000 2.363 354 I HA 0.408 4.578 4.170 0.000 0.000 0.292 354 I C 0.894 177.198 176.117 0.312 0.000 1.075 354 I CA -0.041 61.437 61.300 0.297 0.000 1.333 354 I CB 0.818 38.948 38.000 0.218 0.000 1.415 354 I HN 0.584 nan 8.210 nan 0.000 0.502 355 G N 5.614 114.662 108.800 0.413 0.000 3.135 355 G HA2 0.693 4.653 3.960 0.000 0.000 0.159 355 G HA3 0.693 4.653 3.960 0.000 0.000 0.159 355 G C -1.316 173.640 174.900 0.094 0.000 1.244 355 G CA -0.304 44.824 45.100 0.046 0.000 0.965 355 G HN 0.592 nan 8.290 nan 0.000 0.599 356 Y N -1.370 118.780 120.300 -0.250 0.000 2.620 356 Y HA 0.621 5.171 4.550 0.000 0.000 0.331 356 Y C -1.129 174.739 175.900 -0.053 0.000 1.173 356 Y CA -1.836 56.206 58.100 -0.095 0.000 1.076 356 Y CB 0.494 38.900 38.460 -0.092 0.000 1.336 356 Y HN 0.788 nan 8.280 nan 0.000 0.459 357 I N 1.118 121.812 120.570 0.207 0.000 2.693 357 I HA 0.765 4.935 4.170 0.000 0.000 0.303 357 I C -1.119 175.191 176.117 0.323 0.000 1.025 357 I CA -1.067 60.325 61.300 0.152 0.000 1.086 357 I CB 2.276 40.397 38.000 0.201 0.000 1.268 357 I HN 0.855 nan 8.210 nan 0.000 0.440 358 Q N 3.962 123.980 119.800 0.363 0.000 2.271 358 Q HA 0.759 5.100 4.340 0.000 0.000 0.268 358 Q C -2.123 174.286 176.000 0.681 0.000 1.021 358 Q CA -0.701 55.414 55.803 0.520 0.000 0.802 358 Q CB 2.415 31.573 28.738 0.701 0.000 1.282 358 Q HN 1.029 nan 8.270 nan 0.000 0.431 359 A N 4.456 127.509 122.820 0.389 0.000 2.435 359 A HA 0.650 4.970 4.320 0.000 0.000 0.304 359 A C -2.400 175.288 177.584 0.174 0.000 1.064 359 A CA -1.691 50.513 52.037 0.279 0.000 0.727 359 A CB 1.437 20.442 19.000 0.009 0.000 1.284 359 A HN 0.671 nan 8.150 nan 0.000 0.415 360 P HA -0.279 nan 4.420 nan 0.000 0.220 360 P C 0.960 178.352 177.300 0.154 0.000 1.155 360 P CA 2.276 65.475 63.100 0.164 0.000 0.880 360 P CB -0.084 31.595 31.700 -0.035 0.000 0.790 361 H N -3.286 115.844 119.070 0.099 0.000 2.548 361 H HA 0.274 4.830 4.556 0.000 0.000 0.265 361 H C 0.448 175.837 175.328 0.100 0.000 0.969 361 H CA 0.667 56.768 56.048 0.089 0.000 1.155 361 H CB 0.258 30.065 29.762 0.075 0.000 1.394 361 H HN -0.035 nan 8.280 nan 0.000 0.570 362 K N 1.405 121.597 120.400 -0.346 0.000 2.622 362 K HA 0.109 4.429 4.320 0.000 0.000 0.263 362 K C -1.231 175.319 176.600 -0.084 0.000 0.947 362 K CA 0.078 56.253 56.287 -0.186 0.000 0.885 362 K CB 2.156 34.539 32.500 -0.195 0.000 1.362 362 K HN 0.396 nan 8.250 nan 0.000 0.413 363 T N 0.662 115.222 114.554 0.010 0.000 2.918 363 T HA 0.824 5.175 4.350 0.000 0.000 0.286 363 T C -0.465 174.259 174.700 0.039 0.000 1.026 363 T CA -0.838 61.309 62.100 0.078 0.000 1.031 363 T CB 1.392 70.298 68.868 0.063 0.000 1.046 363 T HN 0.490 nan 8.240 nan 0.000 0.479 364 L N 2.513 123.782 121.223 0.077 0.000 2.562 364 L HA 0.518 4.858 4.340 0.000 0.000 0.266 364 L C -3.018 173.851 176.870 -0.000 0.000 0.949 364 L CA -2.224 52.627 54.840 0.017 0.000 0.879 364 L CB 2.380 44.456 42.059 0.027 0.000 1.278 364 L HN 0.482 nan 8.230 nan 0.000 0.404 365 P HA 0.082 nan 4.420 nan 0.000 0.265 365 P C -1.311 175.827 177.300 -0.270 0.000 1.187 365 P CA 0.047 62.976 63.100 -0.284 0.000 0.766 365 P CB 0.823 32.093 31.700 -0.716 0.000 0.820 366 V N 4.371 124.247 119.914 -0.063 0.000 2.567 366 V HA 0.162 4.282 4.120 0.000 0.000 0.298 366 V C 0.038 176.225 176.094 0.156 0.000 1.047 366 V CA -0.700 61.631 62.300 0.052 0.000 0.880 366 V CB 2.210 34.204 31.823 0.286 0.000 1.009 366 V HN 0.202 nan 8.190 nan 0.000 0.429 367 V N 5.187 125.093 119.914 -0.014 0.000 2.649 367 V HA 0.392 4.512 4.120 0.000 0.000 0.292 367 V C -0.406 175.723 176.094 0.059 0.000 1.055 367 V CA -0.229 62.111 62.300 0.067 0.000 1.023 367 V CB 1.446 33.262 31.823 -0.013 0.000 0.992 367 V HN 0.666 nan 8.190 nan 0.000 0.480 368 F N 5.613 125.455 119.950 -0.179 0.000 2.434 368 F HA 0.580 5.107 4.527 0.001 0.000 0.355 368 F C -0.288 175.146 175.800 -0.610 0.000 1.115 368 F CA -1.991 55.772 58.000 -0.394 0.000 1.010 368 F CB 0.921 39.562 39.000 -0.598 0.000 1.234 368 F HN 0.761 nan 8.300 nan 0.000 0.439 369 D N 2.295 122.500 120.400 -0.324 0.000 2.585 369 D HA 0.750 5.390 4.640 0.000 0.000 0.254 369 D C -1.088 174.953 176.300 -0.431 0.000 1.067 369 D CA -0.604 53.019 54.000 -0.628 0.000 1.090 369 D CB 1.849 42.477 40.800 -0.286 0.000 1.408 369 D HN 0.212 nan 8.370 nan 0.000 0.554 389 F N 0.738 120.702 119.950 0.023 0.000 2.556 389 F HA 0.622 5.149 4.527 0.000 0.000 0.314 389 F C 0.920 176.599 175.800 -0.203 0.000 1.106 389 F CA -0.480 57.449 58.000 -0.120 0.000 0.911 389 F CB 2.231 41.092 39.000 -0.233 0.000 1.190 389 F HN 0.064 nan 8.300 nan 0.000 0.448 390 G N 1.444 110.162 108.800 -0.138 0.000 2.522 390 G HA2 0.543 4.503 3.960 0.000 0.000 0.304 390 G HA3 0.543 4.503 3.960 0.000 0.000 0.304 390 G C -2.097 172.616 174.900 -0.313 0.000 1.210 390 G CA -0.262 44.816 45.100 -0.037 0.000 0.960 390 G HN 0.475 nan 8.290 nan 0.000 0.497 391 Y N -1.943 118.438 120.300 0.134 0.000 2.571 391 Y HA 0.556 5.107 4.550 0.000 0.000 0.341 391 Y C -0.205 175.711 175.900 0.028 0.000 1.076 391 Y CA -0.885 57.260 58.100 0.075 0.000 1.029 391 Y CB 2.627 41.120 38.460 0.055 0.000 1.308 391 Y HN 0.473 nan 8.280 nan 0.000 0.461 392 V N -0.196 119.770 119.914 0.087 0.000 3.012 392 V HA 0.649 4.769 4.120 0.000 0.000 0.307 392 V C -0.763 175.356 176.094 0.043 0.000 1.166 392 V CA -1.044 61.201 62.300 -0.091 0.000 0.974 392 V CB 1.997 33.443 31.823 -0.628 0.000 1.040 392 V HN 0.803 nan 8.190 nan 0.000 0.428 393 T N 1.973 116.536 114.554 0.016 0.000 3.542 393 T HA 0.289 4.639 4.350 0.000 0.000 0.276 393 T C -0.207 174.506 174.700 0.022 0.000 1.412 393 T CA -0.419 61.718 62.100 0.061 0.000 1.664 393 T CB 0.045 68.911 68.868 -0.002 0.000 0.863 393 T HN 0.596 nan 8.240 nan 0.000 0.661 394 R N 1.808 122.365 120.500 0.095 0.000 2.347 394 R HA 0.667 5.007 4.340 0.000 0.000 0.304 394 R C 0.516 176.802 176.300 -0.024 0.000 1.072 394 R CA 0.490 56.548 56.100 -0.070 0.000 0.980 394 R CB -0.066 30.046 30.300 -0.314 0.000 0.986 394 R HN 0.700 nan 8.270 nan 0.000 0.448 404 L N 0.687 122.007 121.223 0.163 0.000 2.362 404 L HA 0.033 4.373 4.340 0.000 0.000 0.219 404 L C 1.785 178.700 176.870 0.074 0.000 1.134 404 L CA 0.579 55.510 54.840 0.151 0.000 0.807 404 L CB 0.115 42.262 42.059 0.147 0.000 0.927 404 L HN 0.432 nan 8.230 nan 0.000 0.447 405 D N 0.142 120.578 120.400 0.059 0.000 2.324 405 D HA -0.017 4.624 4.640 0.000 0.000 0.235 405 D C 0.765 177.044 176.300 -0.036 0.000 1.095 405 D CA 0.128 54.132 54.000 0.007 0.000 0.871 405 D CB 0.264 41.084 40.800 0.035 0.000 0.906 405 D HN 0.221 nan 8.370 nan 0.000 0.522 406 S N -1.360 114.322 115.700 -0.031 0.000 2.568 406 S HA 0.293 4.764 4.470 0.000 0.000 0.302 406 S C 0.800 175.339 174.600 -0.103 0.000 1.082 406 S CA -0.709 57.493 58.200 0.003 0.000 1.009 406 S CB 0.628 63.868 63.200 0.067 0.000 1.069 406 S HN 0.012 nan 8.310 nan 0.000 0.500 407 F N 1.494 121.323 119.950 -0.202 0.000 2.605 407 F HA 0.116 4.643 4.527 0.000 0.000 0.296 407 F C 2.277 177.976 175.800 -0.169 0.000 1.146 407 F CA 0.584 58.477 58.000 -0.178 0.000 1.478 407 F CB -0.248 38.646 39.000 -0.176 0.000 1.107 407 F HN 0.839 nan 8.300 nan 0.000 0.600 408 G N -0.684 108.018 108.800 -0.163 0.000 2.880 408 G HA2 -0.186 3.775 3.960 0.000 0.000 0.209 408 G HA3 -0.186 3.775 3.960 0.000 0.000 0.209 408 G C 1.008 175.609 174.900 -0.498 0.000 1.157 408 G CA 0.076 44.974 45.100 -0.337 0.000 0.779 408 G HN 0.269 nan 8.290 nan 0.000 0.539 409 N N -0.454 117.999 118.700 -0.412 0.000 2.321 409 N HA 0.238 4.978 4.740 0.000 0.000 0.242 409 N C -0.832 174.677 175.510 -0.001 0.000 1.141 409 N CA -0.329 52.627 53.050 -0.157 0.000 0.864 409 N CB 0.178 38.631 38.487 -0.057 0.000 1.100 409 N HN 0.070 nan 8.380 nan 0.000 0.510 410 L N 0.658 121.873 121.223 -0.014 0.000 2.349 410 L HA 0.567 4.907 4.340 0.000 0.000 0.278 410 L C -0.883 176.045 176.870 0.096 0.000 0.996 410 L CA -0.193 54.681 54.840 0.057 0.000 0.825 410 L CB 1.243 43.299 42.059 -0.004 0.000 1.243 410 L HN 0.008 nan 8.230 nan 0.000 0.412 411 E N 3.333 123.600 120.200 0.112 0.000 2.450 411 E HA 0.773 5.124 4.350 0.000 0.000 0.272 411 E C -1.493 175.152 176.600 0.074 0.000 0.967 411 E CA -0.690 55.771 56.400 0.101 0.000 0.818 411 E CB 2.432 32.199 29.700 0.112 0.000 1.401 411 E HN 0.224 nan 8.360 nan 0.000 0.450 412 V N 0.033 119.956 119.914 0.016 0.000 2.733 412 V HA 0.354 4.475 4.120 0.000 0.000 0.306 412 V C 0.224 176.140 176.094 -0.297 0.000 1.084 412 V CA -1.132 61.120 62.300 -0.080 0.000 0.905 412 V CB 1.375 33.166 31.823 -0.053 0.000 1.010 412 V HN 0.783 nan 8.190 nan 0.000 0.424 413 S N 4.420 119.880 115.700 -0.400 0.000 2.596 413 S HA 0.584 5.054 4.470 0.000 0.000 0.260 413 S C -2.356 171.822 174.600 -0.703 0.000 1.336 413 S CA -0.643 57.040 58.200 -0.861 0.000 0.993 413 S CB 1.105 63.975 63.200 -0.550 0.000 0.923 413 S HN 0.587 nan 8.310 nan 0.000 0.567 414 P HA 0.463 nan 4.420 nan 0.000 0.282 414 P C -2.669 174.445 177.300 -0.310 0.000 1.287 414 P CA -1.774 61.036 63.100 -0.482 0.000 0.792 414 P CB -0.522 30.790 31.700 -0.647 0.000 1.163 415 P HA 0.078 nan 4.420 nan 0.000 0.266 415 P C -0.771 176.503 177.300 -0.044 0.000 1.195 415 P CA 0.763 63.794 63.100 -0.114 0.000 0.768 415 P CB 0.302 31.966 31.700 -0.060 0.000 0.838 416 V N 2.663 122.566 119.914 -0.019 0.000 3.147 416 V HA 0.474 4.594 4.120 0.000 0.000 0.299 416 V C -1.166 174.987 176.094 0.099 0.000 1.302 416 V CA -0.327 62.017 62.300 0.073 0.000 1.015 416 V CB 2.795 34.641 31.823 0.039 0.000 1.086 416 V HN 0.444 nan 8.190 nan 0.000 0.437 417 T N 3.852 118.466 114.554 0.101 0.000 2.807 417 T HA 0.677 5.028 4.350 0.000 0.000 0.279 417 T C -1.018 173.740 174.700 0.096 0.000 0.993 417 T CA -0.364 61.780 62.100 0.073 0.000 0.970 417 T CB 1.463 70.346 68.868 0.025 0.000 0.950 417 T HN 0.581 nan 8.240 nan 0.000 0.441 418 V N 4.670 124.652 119.914 0.115 0.000 2.380 418 V HA 0.476 4.596 4.120 0.000 0.000 0.286 418 V C 0.433 176.562 176.094 0.058 0.000 1.015 418 V CA -1.040 61.321 62.300 0.102 0.000 0.834 418 V CB 0.947 32.863 31.823 0.154 0.000 1.009 418 V HN 0.945 nan 8.190 nan 0.000 0.428 419 R N 3.691 124.210 120.500 0.032 0.000 3.251 419 R HA -0.250 4.090 4.340 0.000 0.000 0.249 419 R C 1.351 177.650 176.300 -0.002 0.000 0.949 419 R CA 0.909 57.017 56.100 0.013 0.000 0.645 419 R CB -1.341 28.967 30.300 0.014 0.000 1.065 419 R HN 1.548 nan 8.270 nan 0.000 0.452 420 G N -0.202 108.592 108.800 -0.010 0.000 3.757 420 G HA2 -0.438 3.522 3.960 0.000 0.000 0.215 420 G HA3 -0.438 3.522 3.960 0.000 0.000 0.215 420 G C 0.164 175.022 174.900 -0.070 0.000 1.411 420 G CA 0.332 45.412 45.100 -0.033 0.000 0.896 420 G HN 0.437 nan 8.290 nan 0.000 0.581 421 K N 2.436 122.783 120.400 -0.090 0.000 2.504 421 K HA 0.245 4.565 4.320 0.000 0.000 0.278 421 K C 0.240 176.660 176.600 -0.300 0.000 1.025 421 K CA 0.776 56.937 56.287 -0.211 0.000 1.093 421 K CB 0.198 32.566 32.500 -0.220 0.000 0.873 421 K HN 0.527 nan 8.250 nan 0.000 0.483 422 E N 4.304 124.273 120.200 -0.385 0.000 2.174 422 E HA 0.110 4.460 4.350 0.000 0.000 0.282 422 E C -1.377 174.866 176.600 -0.594 0.000 0.992 422 E CA -0.696 55.489 56.400 -0.358 0.000 0.803 422 E CB 0.579 30.135 29.700 -0.241 0.000 1.090 422 E HN 0.546 nan 8.360 nan 0.000 0.396 423 Y N 5.481 125.656 120.300 -0.209 0.000 2.919 423 Y HA 0.251 4.801 4.550 0.000 0.000 0.341 423 Y C -1.886 173.789 175.900 -0.376 0.000 1.045 423 Y CA -2.034 55.907 58.100 -0.263 0.000 1.218 423 Y CB 1.325 39.663 38.460 -0.203 0.000 1.137 423 Y HN 0.614 nan 8.280 nan 0.000 0.577 424 P HA -0.108 nan 4.420 nan 0.000 0.222 424 P C 0.705 177.490 177.300 -0.859 0.000 1.147 424 P CA 1.363 64.026 63.100 -0.728 0.000 0.790 424 P CB 0.379 31.194 31.700 -1.475 0.000 0.780 425 L N -2.281 118.478 121.223 -0.773 0.000 2.700 425 L HA 0.406 4.746 4.340 0.000 0.000 0.234 425 L C 1.106 177.574 176.870 -0.670 0.000 1.156 425 L CA -0.164 53.996 54.840 -1.134 0.000 0.946 425 L CB -0.634 41.086 42.059 -0.566 0.000 1.216 425 L HN 0.071 nan 8.230 nan 0.000 0.493 426 G N 1.085 109.632 108.800 -0.423 0.000 2.660 426 G HA2 -0.216 3.745 3.960 0.000 0.000 0.215 426 G HA3 -0.216 3.745 3.960 0.000 0.000 0.215 426 G C -0.523 174.251 174.900 -0.211 0.000 1.345 426 G CA -0.718 44.231 45.100 -0.252 0.000 0.877 426 G HN 0.243 nan 8.290 nan 0.000 0.549 427 R N -0.797 119.560 120.500 -0.239 0.000 2.512 427 R HA 0.474 4.814 4.340 0.000 0.000 0.291 427 R C 0.259 176.463 176.300 -0.159 0.000 1.097 427 R CA -0.866 55.078 56.100 -0.259 0.000 0.940 427 R CB 0.932 30.975 30.300 -0.429 0.000 1.198 427 R HN 0.580 nan 8.270 nan 0.000 0.429 428 I N 4.896 125.417 120.570 -0.082 0.000 2.752 428 I HA -0.065 4.105 4.170 0.000 0.000 0.289 428 I C -0.412 175.744 176.117 0.065 0.000 1.197 428 I CA 0.371 61.679 61.300 0.014 0.000 1.432 428 I CB 0.320 38.363 38.000 0.072 0.000 1.359 428 I HN 0.304 nan 8.210 nan 0.000 0.571 429 L N 8.835 130.114 121.223 0.093 0.000 2.313 429 L HA 0.527 4.867 4.340 0.000 0.000 0.283 429 L C -0.530 176.464 176.870 0.206 0.000 1.013 429 L CA -0.284 54.616 54.840 0.100 0.000 0.816 429 L CB 1.141 43.254 42.059 0.089 0.000 1.236 429 L HN 0.392 nan 8.230 nan 0.000 0.419 430 F N 0.503 120.486 119.950 0.054 0.000 2.596 430 F HA 0.890 5.417 4.527 0.000 0.000 0.311 430 F C 0.061 175.924 175.800 0.104 0.000 1.116 430 F CA -0.949 57.081 58.000 0.049 0.000 0.957 430 F CB 1.210 40.217 39.000 0.011 0.000 1.250 430 F HN 0.513 nan 8.300 nan 0.000 0.444 431 G N 1.776 110.703 108.800 0.211 0.000 2.462 431 G HA2 0.612 4.572 3.960 0.000 0.000 0.319 431 G HA3 0.612 4.572 3.960 0.000 0.000 0.319 431 G C -1.388 173.643 174.900 0.219 0.000 1.171 431 G CA 0.054 45.256 45.100 0.170 0.000 0.920 431 G HN 1.088 nan 8.290 nan 0.000 0.499 432 D N -2.190 118.333 120.400 0.205 0.000 4.359 432 D HA 0.269 4.909 4.640 0.000 0.000 0.344 432 D C -0.180 176.286 176.300 0.276 0.000 1.642 432 D CA 0.101 54.228 54.000 0.212 0.000 0.981 432 D CB 0.177 41.094 40.800 0.196 0.000 1.479 432 D HN 0.678 nan 8.370 nan 0.000 0.647 433 S N -1.202 114.606 115.700 0.181 0.000 2.664 433 S HA 0.494 4.964 4.470 0.000 0.000 0.304 433 S C 1.132 175.698 174.600 -0.057 0.000 1.099 433 S CA -0.405 57.874 58.200 0.132 0.000 1.003 433 S CB 1.232 64.436 63.200 0.006 0.000 1.092 433 S HN 0.680 nan 8.310 nan 0.000 0.525 434 C N 0.153 119.243 119.300 -0.350 0.000 2.432 434 C HA 0.118 4.578 4.460 0.000 0.000 0.277 434 C C 0.782 175.747 174.990 -0.042 0.000 1.249 434 C CA 0.594 59.420 59.018 -0.320 0.000 1.725 434 C CB -1.483 25.892 27.740 -0.608 0.000 2.028 434 C HN 0.880 nan 8.230 nan 0.000 0.477 435 Y N -0.538 119.675 120.300 -0.145 0.000 2.581 435 Y HA 0.695 5.245 4.550 0.000 0.000 0.345 435 Y C -3.061 172.816 175.900 -0.039 0.000 1.036 435 Y CA -3.232 54.822 58.100 -0.077 0.000 1.042 435 Y CB 0.065 38.472 38.460 -0.089 0.000 1.289 435 Y HN -0.129 nan 8.280 nan 0.000 0.471 436 P HA 0.353 nan 4.420 nan 0.000 0.281 436 P C -0.890 176.383 177.300 -0.046 0.000 1.252 436 P CA 0.086 63.163 63.100 -0.038 0.000 0.778 436 P CB 1.846 33.566 31.700 0.034 0.000 0.895 437 S N 1.922 117.552 115.700 -0.117 0.000 2.851 437 S HA 0.305 4.775 4.470 0.000 0.000 0.313 437 S C 1.132 175.703 174.600 -0.048 0.000 1.163 437 S CA -0.755 57.399 58.200 -0.077 0.000 0.850 437 S CB 0.914 64.012 63.200 -0.170 0.000 1.245 437 S HN 0.409 nan 8.310 nan 0.000 0.558 438 N N 1.133 119.810 118.700 -0.038 0.000 2.396 438 N HA -0.036 4.704 4.740 0.000 0.000 0.180 438 N C -0.340 175.131 175.510 -0.064 0.000 1.028 438 N CA 1.116 54.143 53.050 -0.038 0.000 0.893 438 N CB -0.184 38.283 38.487 -0.033 0.000 0.967 438 N HN 0.540 nan 8.380 nan 0.000 0.440 439 D N -0.826 119.523 120.400 -0.085 0.000 2.501 439 D HA 0.146 4.786 4.640 0.000 0.000 0.224 439 D C -0.452 175.792 176.300 -0.093 0.000 1.202 439 D CA -0.126 53.810 54.000 -0.108 0.000 0.829 439 D CB 0.404 41.121 40.800 -0.137 0.000 1.023 439 D HN -0.161 nan 8.370 nan 0.000 0.499 440 S N 0.868 116.515 115.700 -0.088 0.000 2.562 440 S HA 0.455 4.925 4.470 0.000 0.000 0.275 440 S C 0.434 175.019 174.600 -0.025 0.000 1.281 440 S CA -0.782 57.373 58.200 -0.075 0.000 1.045 440 S CB 1.409 64.539 63.200 -0.116 0.000 0.962 440 S HN 0.111 nan 8.310 nan 0.000 0.503 441 R N 1.352 121.857 120.500 0.008 0.000 2.797 441 R HA 0.666 5.006 4.340 0.000 0.000 0.251 441 R C -0.542 175.796 176.300 0.064 0.000 1.107 441 R CA -0.917 55.204 56.100 0.035 0.000 1.084 441 R CB 1.007 31.332 30.300 0.043 0.000 1.205 441 R HN 0.846 nan 8.270 nan 0.000 0.515 442 Q N -0.324 119.526 119.800 0.084 0.000 2.776 442 Q HA 0.272 4.612 4.340 0.000 0.000 0.289 442 Q C -1.408 174.660 176.000 0.112 0.000 0.912 442 Q CA -0.831 55.043 55.803 0.119 0.000 0.789 442 Q CB 1.315 30.113 28.738 0.101 0.000 1.498 442 Q HN 0.539 nan 8.270 nan 0.000 0.408 443 M N 2.065 121.746 119.600 0.134 0.000 2.233 443 M HA 0.239 4.719 4.480 0.000 0.000 0.350 443 M C -0.282 176.024 176.300 0.009 0.000 1.176 443 M CA -0.302 55.017 55.300 0.032 0.000 1.150 443 M CB 0.520 33.061 32.600 -0.097 0.000 1.530 443 M HN 0.897 nan 8.290 nan 0.000 0.459 444 H N 2.884 121.914 119.070 -0.066 0.000 3.115 444 H HA -0.097 4.459 4.556 0.000 0.000 0.324 444 H C 0.671 175.968 175.328 -0.052 0.000 1.007 444 H CA 0.995 57.013 56.048 -0.049 0.000 1.385 444 H CB 0.739 30.466 29.762 -0.058 0.000 1.351 444 H HN 0.783 nan 8.280 nan 0.000 0.592 445 Q N 4.294 123.689 119.800 -0.676 0.000 2.181 445 Q HA -0.134 4.206 4.340 0.000 0.000 0.205 445 Q C 1.965 177.750 176.000 -0.357 0.000 0.980 445 Q CA 2.032 57.581 55.803 -0.423 0.000 0.862 445 Q CB -0.469 28.077 28.738 -0.319 0.000 0.905 445 Q HN 0.799 nan 8.270 nan 0.000 0.429 446 A N -0.383 122.130 122.820 -0.512 0.000 2.067 446 A HA -0.084 4.237 4.320 0.000 0.000 0.219 446 A C 2.017 179.631 177.584 0.050 0.000 1.158 446 A CA 0.993 53.004 52.037 -0.044 0.000 0.661 446 A CB -0.469 18.662 19.000 0.219 0.000 0.801 446 A HN 0.467 nan 8.150 nan 0.000 0.452 447 L N -1.211 120.008 121.223 -0.007 0.000 2.049 447 L HA -0.172 4.168 4.340 0.000 0.000 0.203 447 L C 2.893 179.726 176.870 -0.062 0.000 1.074 447 L CA 1.191 56.015 54.840 -0.028 0.000 0.749 447 L CB -0.473 41.462 42.059 -0.206 0.000 0.907 447 L HN 0.465 nan 8.230 nan 0.000 0.439 448 Q N -0.129 119.545 119.800 -0.209 0.000 2.045 448 Q HA -0.272 4.068 4.340 0.000 0.000 0.206 448 Q C 1.737 177.705 176.000 -0.053 0.000 0.991 448 Q CA 1.977 57.636 55.803 -0.241 0.000 0.851 448 Q CB -0.236 28.407 28.738 -0.157 0.000 0.911 448 Q HN 0.511 nan 8.270 nan 0.000 0.418 449 D N -0.107 120.291 120.400 -0.003 0.000 2.178 449 D HA -0.146 4.494 4.640 0.000 0.000 0.201 449 D C 1.604 177.956 176.300 0.087 0.000 0.980 449 D CA 0.792 54.818 54.000 0.043 0.000 0.842 449 D CB -0.199 40.629 40.800 0.047 0.000 0.948 449 D HN 0.144 nan 8.370 nan 0.000 0.472 450 F N 1.562 121.500 119.950 -0.021 0.000 2.084 450 F HA -0.087 4.440 4.527 0.000 0.000 0.296 450 F C 2.205 178.005 175.800 0.001 0.000 1.111 450 F CA 0.973 58.970 58.000 -0.004 0.000 1.224 450 F CB -0.478 38.526 39.000 0.007 0.000 0.991 450 F HN -0.166 nan 8.300 nan 0.000 0.471 451 L N -0.496 120.679 121.223 -0.079 0.000 2.042 451 L HA -0.258 4.082 4.340 0.000 0.000 0.210 451 L C 2.539 179.329 176.870 -0.134 0.000 1.076 451 L CA 1.563 56.327 54.840 -0.126 0.000 0.749 451 L CB -1.088 40.971 42.059 0.000 0.000 0.893 451 L HN 0.090 nan 8.230 nan 0.000 0.432 452 S N -0.174 115.485 115.700 -0.068 0.000 2.382 452 S HA -0.165 4.305 4.470 0.000 0.000 0.228 452 S C 2.220 176.777 174.600 -0.072 0.000 1.027 452 S CA 1.149 59.327 58.200 -0.037 0.000 0.991 452 S CB -0.321 62.884 63.200 0.008 0.000 0.823 452 S HN 0.503 nan 8.310 nan 0.000 0.469 453 A N 1.309 124.064 122.820 -0.109 0.000 1.978 453 A HA -0.085 4.235 4.320 0.000 0.000 0.220 453 A C 1.052 178.540 177.584 -0.160 0.000 1.170 453 A CA 1.000 52.969 52.037 -0.112 0.000 0.636 453 A CB -0.270 18.673 19.000 -0.095 0.000 0.810 453 A HN 0.416 nan 8.150 nan 0.000 0.448 454 Q N 0.019 119.666 119.800 -0.256 0.000 2.288 454 Q HA 0.274 4.614 4.340 0.000 0.000 0.258 454 Q C 0.118 176.044 176.000 -0.122 0.000 0.957 454 Q CA 0.173 55.842 55.803 -0.223 0.000 0.919 454 Q CB 0.996 29.559 28.738 -0.291 0.000 1.185 454 Q HN 0.675 nan 8.270 nan 0.000 0.408 455 Q N 0.999 120.772 119.800 -0.046 0.000 2.349 455 Q HA 0.025 4.366 4.340 0.000 0.000 0.209 455 Q C 1.690 177.666 176.000 -0.040 0.000 0.920 455 Q CA 0.123 55.901 55.803 -0.042 0.000 0.901 455 Q CB 0.207 28.913 28.738 -0.054 0.000 1.021 455 Q HN 0.411 nan 8.270 nan 0.000 0.519 456 V N 1.417 121.331 119.914 0.000 0.000 2.592 456 V HA -0.310 3.810 4.120 0.000 0.000 0.262 456 V C 0.979 177.063 176.094 -0.017 0.000 1.108 456 V CA 1.998 64.317 62.300 0.030 0.000 1.121 456 V CB -0.171 31.720 31.823 0.114 0.000 0.689 456 V HN 0.448 nan 8.190 nan 0.000 0.479 457 Q N -1.313 118.462 119.800 -0.042 0.000 2.106 457 Q HA 0.492 4.832 4.340 0.000 0.000 0.273 457 Q C 0.426 176.393 176.000 -0.056 0.000 0.853 457 Q CA 0.267 56.036 55.803 -0.057 0.000 1.118 457 Q CB 0.947 29.623 28.738 -0.102 0.000 1.240 457 Q HN 0.505 nan 8.270 nan 0.000 0.445 458 A N 2.743 125.555 122.820 -0.014 0.000 1.773 458 A HA -0.136 4.184 4.320 0.000 0.000 0.341 458 A C -2.206 175.341 177.584 -0.062 0.000 0.848 458 A CA -0.352 51.672 52.037 -0.022 0.000 1.539 458 A CB -0.904 18.117 19.000 0.035 0.000 0.635 458 A HN 0.150 nan 8.150 nan 0.000 0.205 459 P HA 0.200 nan 4.420 nan 0.000 0.266 459 P C -0.392 176.934 177.300 0.043 0.000 1.186 459 P CA 0.105 63.268 63.100 0.104 0.000 0.767 459 P CB 0.628 32.484 31.700 0.259 0.000 0.820 460 V N 4.036 123.947 119.914 -0.005 0.000 2.531 460 V HA 0.255 4.375 4.120 0.000 0.000 0.301 460 V C 0.120 176.043 176.094 -0.285 0.000 1.034 460 V CA -0.651 61.584 62.300 -0.109 0.000 0.865 460 V CB 1.796 33.556 31.823 -0.104 0.000 0.995 460 V HN 0.396 nan 8.190 nan 0.000 0.424 461 K N 5.175 125.372 120.400 -0.339 0.000 2.276 461 K HA 0.600 4.921 4.320 0.000 0.000 0.285 461 K C -0.669 175.819 176.600 -0.187 0.000 1.062 461 K CA -0.142 55.831 56.287 -0.523 0.000 0.918 461 K CB 0.966 33.248 32.500 -0.364 0.000 1.055 461 K HN 0.487 nan 8.250 nan 0.000 0.477 462 L N 2.007 123.165 121.223 -0.109 0.000 2.492 462 L HA 0.453 4.793 4.340 0.000 0.000 0.263 462 L C -0.408 176.651 176.870 0.316 0.000 1.062 462 L CA -1.178 53.765 54.840 0.172 0.000 0.817 462 L CB 0.635 42.882 42.059 0.313 0.000 1.441 462 L HN 0.561 nan 8.230 nan 0.000 0.493 463 Y N -0.073 120.392 120.300 0.275 0.000 2.356 463 Y HA 0.235 4.785 4.550 0.000 0.000 0.334 463 Y C 0.380 176.535 175.900 0.426 0.000 0.958 463 Y CA -0.409 57.855 58.100 0.274 0.000 1.196 463 Y CB 1.338 39.941 38.460 0.238 0.000 1.137 463 Y HN 0.625 nan 8.280 nan 0.000 0.485 464 S N 0.832 116.722 115.700 0.316 0.000 2.651 464 S HA -0.022 4.448 4.470 0.000 0.000 0.259 464 S C 0.958 175.349 174.600 -0.349 0.000 1.073 464 S CA 0.276 58.456 58.200 -0.034 0.000 1.090 464 S CB -0.017 63.301 63.200 0.197 0.000 1.042 464 S HN 0.789 nan 8.310 nan 0.000 0.581 465 D N 2.417 122.839 120.400 0.035 0.000 2.322 465 D HA -0.156 4.484 4.640 0.000 0.000 0.210 465 D C 1.530 177.822 176.300 -0.014 0.000 0.983 465 D CA 1.690 55.731 54.000 0.067 0.000 0.902 465 D CB -0.300 40.651 40.800 0.252 0.000 0.905 465 D HN 0.802 nan 8.370 nan 0.000 0.483 466 W N -0.022 121.159 121.300 -0.198 0.000 2.678 466 W HA 0.127 4.787 4.660 0.000 0.000 0.256 466 W C -0.086 176.410 176.519 -0.039 0.000 1.280 466 W CA -0.317 56.949 57.345 -0.132 0.000 1.345 466 W CB -1.081 28.153 29.460 -0.376 0.000 1.118 466 W HN -0.092 nan 8.180 nan 0.000 0.629 467 L N 2.056 122.778 121.223 -0.834 0.000 2.326 467 L HA 0.098 4.438 4.340 0.000 0.000 0.278 467 L C 2.168 178.889 176.870 -0.248 0.000 1.092 467 L CA -0.110 54.347 54.840 -0.637 0.000 0.810 467 L CB 1.521 43.056 42.059 -0.873 0.000 1.153 467 L HN -0.150 nan 8.230 nan 0.000 0.439 468 S N 2.289 117.924 115.700 -0.109 0.000 2.369 468 S HA -0.180 4.290 4.470 0.000 0.000 0.225 468 S C 1.617 176.170 174.600 -0.078 0.000 1.043 468 S CA 2.167 60.343 58.200 -0.040 0.000 1.074 468 S CB 0.025 63.218 63.200 -0.012 0.000 0.962 468 S HN 0.466 nan 8.310 nan 0.000 0.433 469 V N 0.438 120.265 119.914 -0.145 0.000 2.283 469 V HA 0.202 4.323 4.120 0.000 0.000 0.243 469 V C 2.140 178.109 176.094 -0.209 0.000 1.039 469 V CA 1.430 63.599 62.300 -0.218 0.000 1.016 469 V CB -1.241 30.360 31.823 -0.371 0.000 0.650 469 V HN 0.876 nan 8.190 nan 0.000 0.449 470 G N -1.128 107.540 108.800 -0.221 0.000 2.148 470 G HA2 -0.191 3.770 3.960 0.000 0.000 0.203 470 G HA3 -0.191 3.770 3.960 0.000 0.000 0.203 470 G C -0.027 174.934 174.900 0.102 0.000 0.993 470 G CA -0.046 44.991 45.100 -0.105 0.000 0.661 470 G HN 0.620 nan 8.290 nan 0.000 0.518 471 H N -0.323 118.727 119.070 -0.033 0.000 2.525 471 H HA 0.398 4.954 4.556 0.000 0.000 0.339 471 H C 1.708 177.051 175.328 0.026 0.000 1.109 471 H CA -0.319 55.739 56.048 0.017 0.000 1.352 471 H CB 2.214 31.988 29.762 0.021 0.000 1.461 471 H HN 0.333 nan 8.280 nan 0.000 0.533 472 V N 0.314 120.310 119.914 0.138 0.000 2.759 472 V HA -0.186 3.934 4.120 0.000 0.000 0.256 472 V C 1.487 177.387 176.094 -0.324 0.000 1.080 472 V CA 1.985 64.220 62.300 -0.109 0.000 1.101 472 V CB -0.127 31.626 31.823 -0.117 0.000 0.698 472 V HN 0.752 nan 8.190 nan 0.000 0.477 473 D N 0.758 121.121 120.400 -0.063 0.000 2.310 473 D HA -0.128 4.512 4.640 0.000 0.000 0.212 473 D C 2.050 178.360 176.300 0.015 0.000 0.965 473 D CA 1.185 55.163 54.000 -0.036 0.000 0.879 473 D CB -0.127 40.707 40.800 0.056 0.000 0.921 473 D HN 0.738 nan 8.370 nan 0.000 0.510 474 E N -1.175 119.072 120.200 0.079 0.000 2.347 474 E HA -0.096 4.254 4.350 0.000 0.000 0.196 474 E C 1.174 177.975 176.600 0.334 0.000 1.008 474 E CA 0.497 56.999 56.400 0.171 0.000 0.852 474 E CB -0.024 29.758 29.700 0.136 0.000 0.783 474 E HN 0.515 nan 8.360 nan 0.000 0.505 475 F N -0.780 119.297 119.950 0.211 0.000 2.767 475 F HA 0.290 4.818 4.527 0.000 0.000 0.323 475 F C 0.049 175.941 175.800 0.153 0.000 1.091 475 F CA -0.938 57.220 58.000 0.265 0.000 1.192 475 F CB 0.270 39.501 39.000 0.384 0.000 1.056 475 F HN -0.189 nan 8.300 nan 0.000 0.571 476 L N -1.098 119.945 121.223 -0.300 0.000 2.301 476 L HA 0.959 5.299 4.340 0.000 0.000 0.249 476 L C -0.378 176.375 176.870 -0.195 0.000 1.069 476 L CA -1.094 53.581 54.840 -0.275 0.000 0.865 476 L CB 1.376 43.141 42.059 -0.490 0.000 1.467 476 L HN -0.056 nan 8.230 nan 0.000 0.419 477 S N -1.053 114.483 115.700 -0.273 0.000 2.622 477 S HA 0.750 5.220 4.470 0.000 0.000 0.275 477 S C -2.176 172.230 174.600 -0.324 0.000 1.112 477 S CA -0.530 57.574 58.200 -0.160 0.000 0.837 477 S CB 0.434 63.614 63.200 -0.034 0.000 1.082 477 S HN 0.562 nan 8.310 nan 0.000 0.456 478 F N 1.987 121.955 119.950 0.030 0.000 2.529 478 F HA 0.676 5.203 4.527 0.001 0.000 0.320 478 F C 0.051 175.895 175.800 0.073 0.000 1.118 478 F CA -0.590 57.444 58.000 0.055 0.000 0.915 478 F CB 2.234 41.224 39.000 -0.016 0.000 1.161 478 F HN 0.506 nan 8.300 nan 0.000 0.445 479 V N 1.057 121.145 119.914 0.291 0.000 2.823 479 V HA 0.725 4.845 4.120 0.000 0.000 0.312 479 V C -2.992 173.243 176.094 0.234 0.000 1.072 479 V CA -3.183 59.237 62.300 0.201 0.000 0.937 479 V CB 1.921 33.820 31.823 0.126 0.000 1.013 479 V HN 0.426 nan 8.190 nan 0.000 0.430 480 P HA 0.489 nan 4.420 nan 0.000 0.271 480 P C -0.485 176.892 177.300 0.129 0.000 1.220 480 P CA 0.452 63.649 63.100 0.161 0.000 0.768 480 P CB 0.906 32.671 31.700 0.109 0.000 0.848 481 A N 5.334 128.228 122.820 0.122 0.000 2.350 481 A HA 0.715 5.035 4.320 0.000 0.000 0.318 481 A C -2.016 175.593 177.584 0.042 0.000 1.132 481 A CA -1.262 50.810 52.037 0.058 0.000 0.811 481 A CB 0.845 19.849 19.000 0.007 0.000 1.313 481 A HN 0.408 nan 8.150 nan 0.000 0.454 482 P HA 0.152 nan 4.420 nan 0.000 0.282 482 P C -0.481 176.822 177.300 0.006 0.000 1.327 482 P CA 0.541 63.653 63.100 0.019 0.000 0.949 482 P CB 0.580 32.291 31.700 0.019 0.000 1.445 483 D N -0.759 119.634 120.400 -0.011 0.000 3.040 483 D HA 0.095 4.735 4.640 0.000 0.000 0.221 483 D C 1.802 178.078 176.300 -0.040 0.000 1.515 483 D CA -0.204 53.783 54.000 -0.021 0.000 1.379 483 D CB -0.282 40.505 40.800 -0.021 0.000 0.992 483 D HN -0.306 nan 8.370 nan 0.000 0.234 484 R N 0.715 121.173 120.500 -0.070 0.000 1.931 484 R HA -0.029 4.311 4.340 0.000 0.000 0.124 484 R C 1.698 177.930 176.300 -0.113 0.000 0.579 484 R CA 1.577 57.618 56.100 -0.098 0.000 1.636 484 R CB -0.262 29.955 30.300 -0.138 0.000 0.504 484 R HN 0.143 nan 8.270 nan 0.000 0.680 485 K N -0.465 119.800 120.400 -0.225 0.000 2.487 485 K HA 0.082 4.402 4.320 0.000 0.000 0.192 485 K C 0.714 177.272 176.600 -0.070 0.000 1.027 485 K CA 0.592 56.775 56.287 -0.174 0.000 1.054 485 K CB 0.791 33.123 32.500 -0.280 0.000 0.824 485 K HN 0.748 nan 8.250 nan 0.000 0.510 486 G N 1.291 110.029 108.800 -0.103 0.000 2.159 486 G HA2 -0.231 3.729 3.960 0.000 0.000 0.227 486 G HA3 -0.231 3.729 3.960 0.000 0.000 0.227 486 G C -0.134 174.869 174.900 0.173 0.000 0.986 486 G CA 0.134 45.270 45.100 0.060 0.000 0.651 486 G HN 0.331 nan 8.290 nan 0.000 0.523 487 F N -2.273 117.726 119.950 0.082 0.000 2.877 487 F HA 0.914 5.441 4.527 0.000 0.000 0.319 487 F C -0.954 174.925 175.800 0.131 0.000 1.174 487 F CA -2.050 56.022 58.000 0.119 0.000 0.903 487 F CB 0.853 39.947 39.000 0.157 0.000 1.357 487 F HN 0.176 nan 8.300 nan 0.000 0.472 488 R N 1.453 122.207 120.500 0.423 0.000 2.604 488 R HA 0.574 4.914 4.340 0.000 0.000 0.281 488 R C -2.096 174.416 176.300 0.354 0.000 1.020 488 R CA -0.719 55.525 56.100 0.240 0.000 0.899 488 R CB 1.926 32.285 30.300 0.098 0.000 1.205 488 R HN 0.995 nan 8.270 nan 0.000 0.450 489 L N 5.717 127.078 121.223 0.229 0.000 2.290 489 L HA 0.471 4.811 4.340 0.000 0.000 0.284 489 L C -1.085 175.734 176.870 -0.086 0.000 1.078 489 L CA -0.534 54.258 54.840 -0.080 0.000 0.815 489 L CB 0.485 42.528 42.059 -0.026 0.000 1.162 489 L HN 0.599 nan 8.230 nan 0.000 0.435 490 L N 6.669 127.794 121.223 -0.163 0.000 2.296 490 L HA 0.499 4.839 4.340 0.000 0.000 0.286 490 L C -0.634 176.205 176.870 -0.052 0.000 1.023 490 L CA -0.477 54.329 54.840 -0.057 0.000 0.812 490 L CB 1.661 43.707 42.059 -0.021 0.000 1.223 490 L HN 0.559 nan 8.230 nan 0.000 0.421 491 L N 2.763 124.003 121.223 0.028 0.000 2.365 491 L HA 0.664 5.004 4.340 0.000 0.000 0.273 491 L C 0.430 177.391 176.870 0.152 0.000 1.000 491 L CA -0.613 54.288 54.840 0.103 0.000 0.819 491 L CB 2.064 44.187 42.059 0.107 0.000 1.284 491 L HN 0.715 nan 8.230 nan 0.000 0.418 492 A N 1.867 124.833 122.820 0.243 0.000 2.448 492 A HA 0.400 4.720 4.320 0.000 0.000 0.239 492 A C 0.239 177.952 177.584 0.216 0.000 1.080 492 A CA 0.122 52.334 52.037 0.291 0.000 0.779 492 A CB 0.528 19.840 19.000 0.519 0.000 1.026 492 A HN 0.588 nan 8.150 nan 0.000 0.499 493 S N 1.897 117.726 115.700 0.215 0.000 2.511 493 S HA 0.517 4.987 4.470 0.000 0.000 0.233 493 S C -2.361 172.336 174.600 0.162 0.000 1.104 493 S CA -0.916 57.367 58.200 0.139 0.000 1.129 493 S CB 1.112 64.369 63.200 0.096 0.000 1.159 493 S HN 0.350 nan 8.310 nan 0.000 0.451 494 P HA -0.110 nan 4.420 nan 0.000 0.218 494 P C 1.635 179.092 177.300 0.261 0.000 1.148 494 P CA 0.652 63.897 63.100 0.240 0.000 0.822 494 P CB 0.115 31.959 31.700 0.240 0.000 0.784 495 R N -0.301 120.286 120.500 0.144 0.000 2.080 495 R HA -0.144 4.196 4.340 0.000 0.000 0.236 495 R C 2.318 178.692 176.300 0.123 0.000 1.137 495 R CA 2.126 58.293 56.100 0.112 0.000 0.943 495 R CB -1.067 29.254 30.300 0.034 0.000 0.846 495 R HN 0.077 nan 8.270 nan 0.000 0.431 496 S N -0.643 115.110 115.700 0.088 0.000 2.465 496 S HA -0.151 4.319 4.470 0.000 0.000 0.241 496 S C 1.929 176.549 174.600 0.033 0.000 1.000 496 S CA 1.271 59.510 58.200 0.065 0.000 0.964 496 S CB -0.418 62.821 63.200 0.065 0.000 0.763 496 S HN 0.597 nan 8.310 nan 0.000 0.512 497 C N -0.368 118.935 119.300 0.006 0.000 2.558 497 C HA 0.320 4.780 4.460 0.000 0.000 0.288 497 C C 2.006 176.791 174.990 -0.341 0.000 1.338 497 C CA -0.144 58.739 59.018 -0.225 0.000 1.760 497 C CB -1.399 26.180 27.740 -0.268 0.000 2.159 497 C HN 0.735 nan 8.230 nan 0.000 0.518 498 Y N 1.568 121.784 120.300 -0.140 0.000 2.163 498 Y HA -0.119 4.431 4.550 0.000 0.000 0.288 498 Y C 2.538 178.453 175.900 0.025 0.000 1.136 498 Y CA 2.249 60.323 58.100 -0.043 0.000 1.147 498 Y CB -0.368 38.086 38.460 -0.010 0.000 0.987 498 Y HN 0.290 nan 8.280 nan 0.000 0.509 499 K N 0.377 120.880 120.400 0.173 0.000 2.032 499 K HA -0.208 4.112 4.320 0.000 0.000 0.209 499 K C 2.123 178.790 176.600 0.111 0.000 1.048 499 K CA 1.447 57.807 56.287 0.121 0.000 0.927 499 K CB -0.467 32.084 32.500 0.085 0.000 0.712 499 K HN 0.302 nan 8.250 nan 0.000 0.441 500 L N 0.348 121.623 121.223 0.086 0.000 2.046 500 L HA -0.144 4.197 4.340 0.000 0.000 0.208 500 L C 2.015 179.044 176.870 0.266 0.000 1.077 500 L CA 1.630 56.542 54.840 0.120 0.000 0.747 500 L CB -0.457 41.645 42.059 0.072 0.000 0.896 500 L HN 0.224 nan 8.230 nan 0.000 0.432 501 F N 0.210 120.157 119.950 -0.005 0.000 2.325 501 F HA -0.124 4.403 4.527 0.000 0.000 0.299 501 F C 2.701 178.507 175.800 0.009 0.000 1.090 501 F CA 0.843 58.827 58.000 -0.026 0.000 1.392 501 F CB -0.858 38.100 39.000 -0.069 0.000 1.053 501 F HN 0.237 nan 8.300 nan 0.000 0.521 502 Q N 0.845 120.785 119.800 0.233 0.000 2.020 502 Q HA -0.138 4.202 4.340 0.000 0.000 0.198 502 Q C 1.947 178.016 176.000 0.115 0.000 0.974 502 Q CA 1.746 57.644 55.803 0.158 0.000 0.829 502 Q CB -0.370 28.459 28.738 0.152 0.000 0.894 502 Q HN 0.415 nan 8.270 nan 0.000 0.433 503 E N -0.396 119.868 120.200 0.107 0.000 2.209 503 E HA -0.251 4.100 4.350 0.000 0.000 0.196 503 E C 1.917 178.561 176.600 0.072 0.000 0.993 503 E CA 1.076 57.522 56.400 0.078 0.000 0.819 503 E CB 0.031 29.770 29.700 0.065 0.000 0.745 503 E HN 0.289 nan 8.360 nan 0.000 0.477 504 Q N 0.656 120.502 119.800 0.077 0.000 2.083 504 Q HA -0.143 4.197 4.340 0.000 0.000 0.198 504 Q C 1.967 178.024 176.000 0.094 0.000 0.969 504 Q CA 1.376 57.203 55.803 0.040 0.000 0.838 504 Q CB 0.026 28.753 28.738 -0.018 0.000 0.900 504 Q HN 0.235 nan 8.270 nan 0.000 0.436 505 Q N -0.063 119.783 119.800 0.077 0.000 1.993 505 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 505 Q C 1.669 177.711 176.000 0.070 0.000 0.984 505 Q CA 1.807 57.651 55.803 0.067 0.000 0.837 505 Q CB -0.161 28.612 28.738 0.059 0.000 0.902 505 Q HN 0.535 nan 8.270 nan 0.000 0.423 506 N N 0.055 118.796 118.700 0.068 0.000 2.096 506 N HA -0.247 4.493 4.740 0.000 0.000 0.195 506 N C 1.470 177.016 175.510 0.059 0.000 1.017 506 N CA 1.285 54.369 53.050 0.056 0.000 0.870 506 N CB -0.134 38.386 38.487 0.055 0.000 1.024 506 N HN 0.208 nan 8.380 nan 0.000 0.434 507 E N -0.349 119.910 120.200 0.100 0.000 2.472 507 E HA -0.019 4.331 4.350 0.000 0.000 0.200 507 E C 0.988 177.636 176.600 0.080 0.000 1.046 507 E CA 0.672 57.153 56.400 0.135 0.000 0.871 507 E CB -0.210 29.625 29.700 0.226 0.000 0.806 507 E HN 0.470 nan 8.360 nan 0.000 0.533 508 G N -0.331 108.486 108.800 0.028 0.000 2.163 508 G HA2 -0.267 3.693 3.960 0.000 0.000 0.213 508 G HA3 -0.267 3.693 3.960 0.000 0.000 0.213 508 G C 0.202 174.964 174.900 -0.231 0.000 0.991 508 G CA 0.230 45.258 45.100 -0.119 0.000 0.653 508 G HN 0.434 nan 8.290 nan 0.000 0.518 509 H N -0.004 119.042 119.070 -0.039 0.000 2.507 509 H HA 0.415 4.972 4.556 0.000 0.000 0.294 509 H C 2.174 177.454 175.328 -0.081 0.000 1.064 509 H CA 0.491 56.502 56.048 -0.062 0.000 1.138 509 H CB 0.414 30.130 29.762 -0.076 0.000 1.515 509 H HN 0.324 nan 8.280 nan 0.000 0.547 510 G N 0.410 109.223 108.800 0.023 0.000 2.653 510 G HA2 -0.233 3.727 3.960 0.000 0.000 0.212 510 G HA3 -0.233 3.727 3.960 0.000 0.000 0.212 510 G C 1.320 176.201 174.900 -0.031 0.000 1.138 510 G CA 0.560 45.654 45.100 -0.010 0.000 0.782 510 G HN 0.350 nan 8.290 nan 0.000 0.535 511 E N -0.261 119.920 120.200 -0.032 0.000 2.498 511 E HA 0.461 4.811 4.350 0.000 0.000 0.203 511 E C 1.411 177.979 176.600 -0.052 0.000 1.013 511 E CA -0.101 56.276 56.400 -0.038 0.000 0.927 511 E CB 0.172 29.851 29.700 -0.035 0.000 1.012 511 E HN 0.257 nan 8.360 nan 0.000 0.482 512 A N 0.909 123.688 122.820 -0.068 0.000 2.511 512 A HA 0.229 4.549 4.320 0.000 0.000 0.242 512 A C -0.270 177.225 177.584 -0.148 0.000 1.069 512 A CA 0.034 52.008 52.037 -0.104 0.000 0.763 512 A CB 0.037 18.952 19.000 -0.141 0.000 1.001 512 A HN 0.325 nan 8.150 nan 0.000 0.498 513 L N 2.794 123.941 121.223 -0.126 0.000 2.292 513 L HA 0.373 4.714 4.340 0.000 0.000 0.284 513 L C 0.070 176.816 176.870 -0.206 0.000 1.065 513 L CA -0.221 54.544 54.840 -0.125 0.000 0.806 513 L CB 1.029 43.052 42.059 -0.061 0.000 1.175 513 L HN 0.647 nan 8.230 nan 0.000 0.431 514 L N 4.812 125.859 121.223 -0.292 0.000 2.289 514 L HA 0.541 4.881 4.340 0.000 0.000 0.285 514 L C -0.916 175.615 176.870 -0.566 0.000 1.049 514 L CA -0.213 54.267 54.840 -0.601 0.000 0.804 514 L CB 0.695 42.254 42.059 -0.832 0.000 1.195 514 L HN 0.562 nan 8.230 nan 0.000 0.428 523 Q N 2.042 121.906 119.800 0.106 0.000 2.290 523 Q HA 0.347 4.687 4.340 0.000 0.000 0.269 523 Q C -1.287 174.805 176.000 0.154 0.000 1.016 523 Q CA -0.945 54.974 55.803 0.194 0.000 0.754 523 Q CB 2.269 31.078 28.738 0.118 0.000 1.247 523 Q HN 0.582 nan 8.270 nan 0.000 0.451 524 Q N 1.729 121.657 119.800 0.213 0.000 2.222 524 Q HA 0.405 4.745 4.340 0.000 0.000 0.252 524 Q C -0.831 175.198 176.000 0.048 0.000 0.926 524 Q CA -0.652 55.239 55.803 0.147 0.000 0.899 524 Q CB 2.010 30.895 28.738 0.245 0.000 1.250 524 Q HN 0.387 nan 8.270 nan 0.000 0.441 525 K N 1.520 121.937 120.400 0.028 0.000 2.174 525 K HA 0.168 4.488 4.320 0.000 0.000 0.275 525 K C 0.827 177.400 176.600 -0.046 0.000 1.015 525 K CA -0.240 56.029 56.287 -0.029 0.000 0.933 525 K CB 1.008 33.499 32.500 -0.016 0.000 1.025 525 K HN 0.648 nan 8.250 nan 0.000 0.463 526 I N 2.094 122.578 120.570 -0.144 0.000 2.597 526 I HA -0.338 3.832 4.170 0.000 0.000 0.262 526 I C 1.866 177.950 176.117 -0.054 0.000 1.194 526 I CA 1.743 62.916 61.300 -0.211 0.000 1.437 526 I CB 0.049 37.816 38.000 -0.388 0.000 1.096 526 I HN 0.592 nan 8.210 nan 0.000 0.451 527 K N 0.290 120.682 120.400 -0.014 0.000 2.308 527 K HA -0.008 4.312 4.320 0.000 0.000 0.197 527 K C 1.683 178.314 176.600 0.052 0.000 1.049 527 K CA 0.611 56.915 56.287 0.027 0.000 0.991 527 K CB 0.102 32.614 32.500 0.020 0.000 0.836 527 K HN 0.284 nan 8.250 nan 0.000 0.500 528 N N 1.042 119.773 118.700 0.053 0.000 2.216 528 N HA -0.091 4.649 4.740 0.000 0.000 0.183 528 N C 1.719 177.286 175.510 0.095 0.000 1.017 528 N CA 1.141 54.233 53.050 0.071 0.000 0.861 528 N CB -0.047 38.485 38.487 0.076 0.000 0.986 528 N HN 0.231 nan 8.380 nan 0.000 0.428 529 I N 0.497 121.135 120.570 0.113 0.000 2.179 529 I HA -0.220 3.950 4.170 0.000 0.000 0.242 529 I C 1.880 178.065 176.117 0.112 0.000 1.088 529 I CA 0.714 62.089 61.300 0.126 0.000 1.357 529 I CB -0.073 38.042 38.000 0.192 0.000 1.051 529 I HN 0.036 nan 8.210 nan 0.000 0.409 530 L N 0.612 121.913 121.223 0.130 0.000 2.093 530 L HA -0.164 4.176 4.340 0.000 0.000 0.208 530 L C 2.750 179.718 176.870 0.163 0.000 1.085 530 L CA 2.172 57.120 54.840 0.181 0.000 0.755 530 L CB -1.011 41.142 42.059 0.158 0.000 0.904 530 L HN 0.342 nan 8.230 nan 0.000 0.435 531 S N -1.571 114.194 115.700 0.110 0.000 2.527 531 S HA -0.026 4.444 4.470 0.000 0.000 0.222 531 S C 1.114 175.759 174.600 0.074 0.000 0.985 531 S CA -0.225 58.025 58.200 0.083 0.000 0.921 531 S CB -0.619 62.618 63.200 0.061 0.000 0.772 531 S HN 0.423 nan 8.310 nan 0.000 0.529 532 N N 2.889 121.638 118.700 0.082 0.000 2.423 532 N HA 0.053 4.793 4.740 0.000 0.000 0.275 532 N C 0.852 176.391 175.510 0.049 0.000 1.283 532 N CA 0.109 53.193 53.050 0.057 0.000 0.932 532 N CB 0.551 39.067 38.487 0.048 0.000 1.185 532 N HN 0.377 nan 8.380 nan 0.000 0.483 533 K N 2.172 122.590 120.400 0.031 0.000 2.057 533 K HA -0.075 4.245 4.320 0.000 0.000 0.206 533 K C 1.464 178.067 176.600 0.003 0.000 1.050 533 K CA 1.144 57.444 56.287 0.021 0.000 0.935 533 K CB -0.362 32.149 32.500 0.018 0.000 0.715 533 K HN 0.429 nan 8.250 nan 0.000 0.439 534 T N 2.716 117.256 114.554 -0.024 0.000 2.746 534 T HA -0.069 4.281 4.350 0.000 0.000 0.267 534 T C 1.851 176.426 174.700 -0.208 0.000 1.039 534 T CA 0.728 62.778 62.100 -0.084 0.000 1.142 534 T CB -0.168 68.637 68.868 -0.105 0.000 0.866 534 T HN 0.134 nan 8.240 nan 0.000 0.444 535 L N 0.502 121.620 121.223 -0.176 0.000 2.046 535 L HA -0.101 4.239 4.340 0.000 0.000 0.208 535 L C 2.830 179.705 176.870 0.009 0.000 1.077 535 L CA 1.532 56.263 54.840 -0.182 0.000 0.747 535 L CB -0.335 41.631 42.059 -0.154 0.000 0.896 535 L HN 0.205 nan 8.230 nan 0.000 0.432 536 R N -0.056 120.483 120.500 0.064 0.000 2.103 536 R HA -0.231 4.109 4.340 0.000 0.000 0.242 536 R C 2.081 178.384 176.300 0.004 0.000 1.142 536 R CA 2.089 58.207 56.100 0.031 0.000 0.960 536 R CB -0.072 30.215 30.300 -0.021 0.000 0.858 536 R HN 0.492 nan 8.270 nan 0.000 0.439 537 E N -1.363 118.872 120.200 0.058 0.000 2.072 537 E HA -0.194 4.156 4.350 0.000 0.000 0.191 537 E C 1.958 178.687 176.600 0.214 0.000 0.985 537 E CA 1.226 57.691 56.400 0.108 0.000 0.801 537 E CB -0.141 29.631 29.700 0.121 0.000 0.750 537 E HN 0.438 nan 8.360 nan 0.000 0.452 538 H N 1.064 120.172 119.070 0.064 0.000 2.251 538 H HA -0.106 4.450 4.556 0.000 0.000 0.294 538 H C 1.966 177.395 175.328 0.167 0.000 1.078 538 H CA 1.494 57.608 56.048 0.111 0.000 1.246 538 H CB -0.418 29.404 29.762 0.099 0.000 1.358 538 H HN 0.120 nan 8.280 nan 0.000 0.488 539 N N -0.119 118.746 118.700 0.276 0.000 2.149 539 N HA -0.164 4.576 4.740 0.000 0.000 0.188 539 N C 2.106 177.648 175.510 0.053 0.000 1.019 539 N CA 1.284 54.448 53.050 0.189 0.000 0.857 539 N CB -0.396 38.244 38.487 0.255 0.000 0.997 539 N HN 0.256 nan 8.380 nan 0.000 0.426 540 S N 0.305 116.020 115.700 0.026 0.000 2.400 540 S HA -0.134 4.336 4.470 0.000 0.000 0.232 540 S C 1.718 176.302 174.600 -0.026 0.000 1.025 540 S CA 0.757 58.935 58.200 -0.036 0.000 0.993 540 S CB -0.318 62.863 63.200 -0.031 0.000 0.808 540 S HN 0.408 nan 8.310 nan 0.000 0.478 541 F N 1.651 121.547 119.950 -0.089 0.000 2.234 541 F HA 0.083 4.610 4.527 0.000 0.000 0.296 541 F C 1.865 177.526 175.800 -0.232 0.000 1.089 541 F CA 1.063 58.986 58.000 -0.129 0.000 1.343 541 F CB -0.347 38.594 39.000 -0.099 0.000 1.040 541 F HN 0.065 nan 8.300 nan 0.000 0.498 542 V N 0.766 120.517 119.914 -0.272 0.000 2.427 542 V HA -0.268 3.853 4.120 0.000 0.000 0.248 542 V C 2.374 178.045 176.094 -0.705 0.000 1.051 542 V CA 2.092 64.029 62.300 -0.605 0.000 1.048 542 V CB -0.871 30.725 31.823 -0.378 0.000 0.666 542 V HN 0.448 nan 8.190 nan 0.000 0.456 543 E N 0.351 120.307 120.200 -0.406 0.000 2.130 543 E HA -0.291 4.060 4.350 0.000 0.000 0.196 543 E C 2.430 178.807 176.600 -0.373 0.000 0.998 543 E CA 1.534 57.745 56.400 -0.316 0.000 0.806 543 E CB -0.074 29.517 29.700 -0.183 0.000 0.738 543 E HN 0.479 nan 8.360 nan 0.000 0.459 544 R N -0.448 119.791 120.500 -0.436 0.000 2.073 544 R HA -0.128 4.212 4.340 0.000 0.000 0.234 544 R C 2.483 178.497 176.300 -0.476 0.000 1.134 544 R CA 1.729 57.590 56.100 -0.399 0.000 0.952 544 R CB -0.282 29.758 30.300 -0.434 0.000 0.850 544 R HN 0.335 nan 8.270 nan 0.000 0.433 545 C N -0.008 118.778 119.300 -0.857 0.000 2.453 545 C HA -0.026 4.434 4.460 0.000 0.000 0.277 545 C C 2.482 176.943 174.990 -0.882 0.000 1.262 545 C CA 0.368 58.762 59.018 -1.040 0.000 1.718 545 C CB -0.749 25.695 27.740 -2.160 0.000 2.031 545 C HN 0.484 nan 8.230 nan 0.000 0.480 546 I N 1.150 121.150 120.570 -0.951 0.000 2.252 546 I HA -0.182 3.988 4.170 0.000 0.000 0.245 546 I C 2.079 178.018 176.117 -0.297 0.000 1.102 546 I CA 1.505 62.430 61.300 -0.625 0.000 1.385 546 I CB -0.560 37.177 38.000 -0.438 0.000 1.064 546 I HN 0.300 nan 8.210 nan 0.000 0.414 547 D N 0.057 120.311 120.400 -0.243 0.000 2.218 547 D HA -0.219 4.421 4.640 0.000 0.000 0.204 547 D C 1.734 177.998 176.300 -0.061 0.000 0.976 547 D CA 0.821 54.748 54.000 -0.122 0.000 0.853 547 D CB -0.228 40.507 40.800 -0.109 0.000 0.939 547 D HN 0.523 nan 8.370 nan 0.000 0.481 548 W N 1.460 122.624 121.300 -0.226 0.000 2.467 548 W HA -0.019 4.641 4.660 0.000 0.000 0.275 548 W C 1.282 177.741 176.519 -0.099 0.000 1.239 548 W CA 0.504 57.759 57.345 -0.149 0.000 1.266 548 W CB -0.074 29.301 29.460 -0.142 0.000 1.112 548 W HN -0.069 nan 8.180 nan 0.000 0.576 549 N N 0.647 119.315 118.700 -0.053 0.000 2.376 549 N HA -0.105 4.635 4.740 0.000 0.000 0.177 549 N C 1.910 177.406 175.510 -0.023 0.000 1.024 549 N CA 0.511 53.546 53.050 -0.025 0.000 0.893 549 N CB -0.302 38.188 38.487 0.005 0.000 0.980 549 N HN 0.229 nan 8.380 nan 0.000 0.439 550 R N 1.463 121.935 120.500 -0.046 0.000 2.073 550 R HA -0.094 4.246 4.340 0.000 0.000 0.234 550 R C 1.315 177.569 176.300 -0.075 0.000 1.134 550 R CA 1.223 57.307 56.100 -0.028 0.000 0.952 550 R CB 0.182 30.460 30.300 -0.037 0.000 0.850 550 R HN 0.089 nan 8.270 nan 0.000 0.433 551 E N 0.571 120.676 120.200 -0.158 0.000 2.152 551 E HA -0.155 4.195 4.350 0.000 0.000 0.192 551 E C 1.959 178.417 176.600 -0.236 0.000 0.983 551 E CA 0.583 56.861 56.400 -0.203 0.000 0.818 551 E CB -0.211 29.323 29.700 -0.277 0.000 0.758 551 E HN 0.214 nan 8.360 nan 0.000 0.467 552 L N 0.459 121.501 121.223 -0.303 0.000 1.994 552 L HA -0.136 4.204 4.340 0.000 0.000 0.208 552 L C 2.367 179.171 176.870 -0.109 0.000 1.071 552 L CA 1.286 55.975 54.840 -0.252 0.000 0.745 552 L CB -0.536 41.378 42.059 -0.241 0.000 0.892 552 L HN 0.079 nan 8.230 nan 0.000 0.431 553 L N -1.073 120.127 121.223 -0.039 0.000 2.131 553 L HA -0.240 4.100 4.340 0.000 0.000 0.210 553 L C 2.511 179.392 176.870 0.019 0.000 1.092 553 L CA 1.228 56.082 54.840 0.024 0.000 0.759 553 L CB -0.529 41.582 42.059 0.087 0.000 0.903 553 L HN 0.206 nan 8.230 nan 0.000 0.435 554 K N -0.398 119.996 120.400 -0.010 0.000 2.026 554 K HA -0.200 4.121 4.320 0.000 0.000 0.208 554 K C 2.338 178.929 176.600 -0.015 0.000 1.048 554 K CA 1.280 57.566 56.287 -0.002 0.000 0.929 554 K CB -0.092 32.391 32.500 -0.028 0.000 0.713 554 K HN 0.172 nan 8.250 nan 0.000 0.439 555 R N 0.869 121.338 120.500 -0.052 0.000 2.061 555 R HA -0.120 4.220 4.340 0.000 0.000 0.230 555 R C 1.822 178.099 176.300 -0.038 0.000 1.140 555 R CA 1.463 57.531 56.100 -0.053 0.000 0.940 555 R CB 0.064 30.310 30.300 -0.090 0.000 0.839 555 R HN 0.086 nan 8.270 nan 0.000 0.429 556 E N 0.349 120.516 120.200 -0.055 0.000 2.208 556 E HA -0.123 4.227 4.350 0.000 0.000 0.193 556 E C 1.540 178.090 176.600 -0.082 0.000 0.988 556 E CA 0.761 57.116 56.400 -0.074 0.000 0.828 556 E CB 0.116 29.756 29.700 -0.100 0.000 0.763 556 E HN 0.243 nan 8.360 nan 0.000 0.478 557 L N -0.659 120.546 121.223 -0.029 0.000 2.693 557 L HA 0.277 4.618 4.340 0.000 0.000 0.235 557 L C 1.062 177.972 176.870 0.067 0.000 1.127 557 L CA 0.504 55.345 54.840 0.001 0.000 0.914 557 L CB -0.073 42.018 42.059 0.054 0.000 1.193 557 L HN 0.159 nan 8.230 nan 0.000 0.502 558 G N 0.591 109.422 108.800 0.051 0.000 2.305 558 G HA2 -0.280 3.680 3.960 0.000 0.000 0.287 558 G HA3 -0.280 3.680 3.960 0.000 0.000 0.287 558 G C 0.343 175.293 174.900 0.083 0.000 1.036 558 G CA 0.362 45.498 45.100 0.060 0.000 0.887 558 G HN 0.282 nan 8.290 nan 0.000 0.505 559 L N -0.630 120.648 121.223 0.093 0.000 2.456 559 L HA 0.726 5.066 4.340 0.000 0.000 0.257 559 L C 0.856 177.759 176.870 0.054 0.000 1.162 559 L CA -0.223 54.684 54.840 0.110 0.000 0.808 559 L CB 1.357 43.509 42.059 0.155 0.000 1.136 559 L HN 0.401 nan 8.230 nan 0.000 0.466 560 A N 0.048 122.891 122.820 0.039 0.000 2.413 560 A HA 0.401 4.721 4.320 0.000 0.000 0.307 560 A C 0.513 178.102 177.584 0.010 0.000 1.087 560 A CA -0.547 51.498 52.037 0.013 0.000 0.750 560 A CB 1.355 20.355 19.000 0.001 0.000 1.296 560 A HN 0.742 nan 8.150 nan 0.000 0.423 561 E N 0.811 121.012 120.200 0.002 0.000 2.171 561 E HA -0.178 4.172 4.350 0.000 0.000 0.197 561 E C 2.058 178.657 176.600 -0.002 0.000 0.997 561 E CA 1.924 58.325 56.400 0.001 0.000 0.810 561 E CB -0.304 29.394 29.700 -0.003 0.000 0.738 561 E HN 0.776 nan 8.360 nan 0.000 0.467 562 S N 0.619 116.312 115.700 -0.011 0.000 2.547 562 S HA -0.090 4.380 4.470 0.000 0.000 0.235 562 S C 1.015 175.591 174.600 -0.040 0.000 0.980 562 S CA 0.749 58.935 58.200 -0.022 0.000 0.941 562 S CB 0.086 63.269 63.200 -0.027 0.000 0.763 562 S HN 0.084 nan 8.310 nan 0.000 0.532 563 D N 0.768 121.148 120.400 -0.033 0.000 2.369 563 D HA 0.379 5.019 4.640 0.000 0.000 0.211 563 D C 0.114 176.425 176.300 0.018 0.000 1.077 563 D CA 0.110 54.076 54.000 -0.056 0.000 0.842 563 D CB 0.410 41.187 40.800 -0.039 0.000 0.947 563 D HN 0.450 nan 8.370 nan 0.000 0.509 564 I N 0.726 121.308 120.570 0.019 0.000 2.646 564 I HA 0.405 4.575 4.170 0.000 0.000 0.299 564 I C -0.395 175.734 176.117 0.020 0.000 1.036 564 I CA -0.802 60.515 61.300 0.029 0.000 1.074 564 I CB 2.760 40.776 38.000 0.027 0.000 1.258 564 I HN -0.372 nan 8.210 nan 0.000 0.430 565 I N 3.531 124.115 120.570 0.024 0.000 2.529 565 I HA 0.190 4.360 4.170 0.000 0.000 0.284 565 I C -1.407 174.733 176.117 0.038 0.000 1.088 565 I CA -0.511 60.806 61.300 0.029 0.000 1.062 565 I CB 1.927 39.947 38.000 0.032 0.000 1.218 565 I HN 0.518 nan 8.210 nan 0.000 0.442 566 D N 7.191 127.617 120.400 0.043 0.000 2.317 566 D HA 0.287 4.927 4.640 0.000 0.000 0.252 566 D C -0.217 176.126 176.300 0.073 0.000 1.174 566 D CA -0.036 53.999 54.000 0.058 0.000 0.866 566 D CB 1.130 41.962 40.800 0.052 0.000 1.127 566 D HN 0.153 nan 8.370 nan 0.000 0.467 567 I N 4.960 125.587 120.570 0.094 0.000 2.325 567 I HA 0.192 4.362 4.170 0.000 0.000 0.291 567 I C -2.007 174.190 176.117 0.134 0.000 1.019 567 I CA -2.832 58.535 61.300 0.113 0.000 1.302 567 I CB 0.819 38.894 38.000 0.125 0.000 1.401 567 I HN 0.152 nan 8.210 nan 0.000 0.485 568 P HA 0.056 nan 4.420 nan 0.000 0.263 568 P C -0.728 176.695 177.300 0.206 0.000 1.195 568 P CA 0.050 63.222 63.100 0.120 0.000 0.762 568 P CB 0.888 32.627 31.700 0.065 0.000 0.799 569 Q N 2.887 122.793 119.800 0.177 0.000 2.378 569 Q HA 0.494 4.835 4.340 0.000 0.000 0.262 569 Q C -2.124 173.841 176.000 -0.059 0.000 0.978 569 Q CA -0.536 55.302 55.803 0.057 0.000 0.918 569 Q CB 0.996 29.801 28.738 0.112 0.000 1.415 569 Q HN 0.179 nan 8.270 nan 0.000 0.409 570 L N 3.440 124.342 121.223 -0.536 0.000 2.352 570 L HA 0.746 5.086 4.340 0.000 0.000 0.269 570 L C -0.990 175.694 176.870 -0.311 0.000 1.034 570 L CA -0.137 54.564 54.840 -0.232 0.000 0.806 570 L CB 1.175 43.117 42.059 -0.195 0.000 1.244 570 L HN 0.751 nan 8.230 nan 0.000 0.447 571 F N 0.594 120.552 119.950 0.013 0.000 2.675 571 F HA 0.699 5.227 4.527 0.000 0.000 0.324 571 F C -0.492 175.415 175.800 0.178 0.000 1.106 571 F CA -0.989 57.089 58.000 0.130 0.000 0.970 571 F CB 1.747 40.861 39.000 0.191 0.000 1.385 571 F HN 0.182 nan 8.300 nan 0.000 0.489 572 K N 1.140 121.807 120.400 0.446 0.000 2.550 572 K HA 0.546 4.866 4.320 0.000 0.000 0.252 572 K C -2.096 174.733 176.600 0.381 0.000 0.943 572 K CA -0.311 56.225 56.287 0.415 0.000 0.806 572 K CB 1.314 34.055 32.500 0.402 0.000 1.289 572 K HN 0.604 nan 8.250 nan 0.000 0.435 573 L N 5.859 127.336 121.223 0.422 0.000 2.283 573 L HA 0.334 4.674 4.340 0.000 0.000 0.287 573 L C 0.812 177.767 176.870 0.142 0.000 1.073 573 L CA -0.412 54.501 54.840 0.121 0.000 0.822 573 L CB 0.756 42.618 42.059 -0.329 0.000 1.186 573 L HN 0.658 nan 8.230 nan 0.000 0.436 574 K N 1.804 122.258 120.400 0.091 0.000 3.784 574 K HA 0.209 4.529 4.320 0.000 0.000 0.226 574 K C 0.087 176.665 176.600 -0.037 0.000 1.180 574 K CA -0.337 55.975 56.287 0.041 0.000 1.557 574 K CB 0.128 32.647 32.500 0.032 0.000 2.225 574 K HN 0.392 nan 8.250 nan 0.000 0.479 575 E N 2.034 122.186 120.200 -0.081 0.000 2.463 575 E HA -0.064 4.287 4.350 0.000 0.000 0.248 575 E C -0.698 175.845 176.600 -0.096 0.000 1.106 575 E CA 0.397 56.663 56.400 -0.224 0.000 0.946 575 E CB -0.410 29.195 29.700 -0.158 0.000 0.971 575 E HN 0.228 nan 8.360 nan 0.000 0.478 576 F N 1.150 121.094 119.950 -0.010 0.000 3.074 576 F HA -0.301 4.227 4.527 0.000 0.000 0.287 576 F C 1.073 176.847 175.800 -0.043 0.000 0.932 576 F CA 0.790 58.776 58.000 -0.022 0.000 0.995 576 F CB -2.784 36.207 39.000 -0.015 0.000 0.966 576 F HN 0.496 nan 8.300 nan 0.000 0.721 577 S N -2.626 113.106 115.700 0.054 0.000 3.270 577 S HA -0.249 4.221 4.470 0.000 0.000 0.293 577 S C 0.782 175.368 174.600 -0.023 0.000 1.278 577 S CA 1.292 59.455 58.200 -0.062 0.000 1.038 577 S CB -0.547 62.571 63.200 -0.137 0.000 1.218 577 S HN 0.454 nan 8.310 nan 0.000 0.659 578 K N 1.294 121.736 120.400 0.071 0.000 2.154 578 K HA 0.681 5.001 4.320 0.000 0.000 0.264 578 K C 0.407 177.074 176.600 0.111 0.000 1.008 578 K CA 0.136 56.484 56.287 0.102 0.000 0.937 578 K CB 0.704 33.266 32.500 0.103 0.000 1.002 578 K HN 0.320 nan 8.250 nan 0.000 0.469 579 A N 2.154 125.067 122.820 0.155 0.000 2.310 579 A HA 0.451 4.772 4.320 0.000 0.000 0.299 579 A C -0.387 177.310 177.584 0.188 0.000 1.147 579 A CA -0.300 51.883 52.037 0.243 0.000 0.818 579 A CB 0.466 19.721 19.000 0.425 0.000 1.096 579 A HN 0.704 nan 8.150 nan 0.000 0.495 580 E N -0.057 120.296 120.200 0.256 0.000 2.393 580 E HA 0.575 4.925 4.350 0.000 0.000 0.273 580 E C -0.662 176.008 176.600 0.118 0.000 0.918 580 E CA -0.976 55.513 56.400 0.148 0.000 0.773 580 E CB 2.215 31.965 29.700 0.083 0.000 1.275 580 E HN 0.871 nan 8.360 nan 0.000 0.451 581 A N 1.369 124.151 122.820 -0.064 0.000 2.409 581 A HA 0.141 4.461 4.320 0.000 0.000 0.262 581 A C -0.010 177.506 177.584 -0.114 0.000 1.113 581 A CA 0.073 51.926 52.037 -0.307 0.000 0.790 581 A CB -0.218 18.608 19.000 -0.291 0.000 1.046 581 A HN 0.797 nan 8.150 nan 0.000 0.496 582 F N 2.644 122.392 119.950 -0.337 0.000 2.802 582 F HA 0.312 4.839 4.527 0.000 0.000 0.300 582 F C -0.237 175.666 175.800 0.172 0.000 1.168 582 F CA 0.318 58.273 58.000 -0.075 0.000 1.433 582 F CB -0.050 38.918 39.000 -0.052 0.000 1.115 582 F HN 0.588 nan 8.300 nan 0.000 0.582 583 F N -2.934 117.082 119.950 0.110 0.000 2.714 583 F HA 0.425 4.952 4.527 0.000 0.000 0.313 583 F C -3.162 172.690 175.800 0.087 0.000 1.104 583 F CA -3.459 54.635 58.000 0.156 0.000 1.005 583 F CB -0.736 38.413 39.000 0.248 0.000 1.268 583 F HN -0.338 nan 8.300 nan 0.000 0.449 584 P HA -0.209 nan 4.420 nan 0.000 0.250 584 P C -0.534 176.912 177.300 0.243 0.000 1.095 584 P CA 1.009 64.280 63.100 0.284 0.000 0.774 584 P CB 0.091 31.980 31.700 0.314 0.000 0.678 585 N N 3.351 122.107 118.700 0.093 0.000 2.400 585 N HA 0.031 4.771 4.740 0.000 0.000 0.278 585 N C 1.377 176.961 175.510 0.123 0.000 1.247 585 N CA -0.272 52.801 53.050 0.038 0.000 0.970 585 N CB 0.112 38.600 38.487 0.002 0.000 1.312 585 N HN 0.393 nan 8.380 nan 0.000 0.488 586 M N 2.062 121.768 119.600 0.178 0.000 2.213 586 M HA -0.123 4.357 4.480 0.000 0.000 0.263 586 M C 1.744 178.128 176.300 0.140 0.000 1.062 586 M CA 0.932 56.346 55.300 0.191 0.000 1.105 586 M CB 0.094 32.845 32.600 0.252 0.000 1.385 586 M HN 0.393 nan 8.290 nan 0.000 0.417 587 V N 0.851 120.847 119.914 0.135 0.000 3.510 587 V HA -0.058 4.062 4.120 0.000 0.000 0.270 587 V C 0.838 176.983 176.094 0.085 0.000 1.201 587 V CA 0.912 63.278 62.300 0.110 0.000 1.166 587 V CB -0.768 31.137 31.823 0.137 0.000 0.825 587 V HN 0.369 nan 8.190 nan 0.000 0.484 588 N N 1.948 120.703 118.700 0.092 0.000 3.131 588 N HA 0.199 4.939 4.740 0.000 0.000 0.312 588 N C -0.087 175.467 175.510 0.075 0.000 1.433 588 N CA -0.201 52.898 53.050 0.082 0.000 1.141 588 N CB 0.130 38.670 38.487 0.089 0.000 1.431 588 N HN 0.644 nan 8.380 nan 0.000 0.523 589 M N -1.054 118.583 119.600 0.062 0.000 2.409 589 M HA 0.378 4.858 4.480 0.000 0.000 0.329 589 M C -0.301 176.028 176.300 0.047 0.000 1.180 589 M CA -0.695 54.632 55.300 0.045 0.000 1.053 589 M CB 1.761 34.375 32.600 0.022 0.000 1.586 589 M HN -0.075 nan 8.290 nan 0.000 0.461 590 L N 3.824 125.070 121.223 0.038 0.000 2.356 590 L HA 0.324 4.664 4.340 0.000 0.000 0.282 590 L C -1.059 175.836 176.870 0.041 0.000 1.132 590 L CA -0.679 54.188 54.840 0.045 0.000 0.923 590 L CB 0.490 42.574 42.059 0.042 0.000 1.278 590 L HN 0.654 nan 8.230 nan 0.000 0.436 591 V N 6.273 126.219 119.914 0.053 0.000 2.381 591 V HA 0.000 4.121 4.120 0.000 0.000 0.257 591 V C 0.454 176.580 176.094 0.053 0.000 1.057 591 V CA -0.130 62.204 62.300 0.057 0.000 1.013 591 V CB 0.762 32.630 31.823 0.077 0.000 1.069 591 V HN 0.509 nan 8.190 nan 0.000 0.484 592 L N 6.525 127.778 121.223 0.050 0.000 2.657 592 L HA 0.663 5.003 4.340 0.000 0.000 0.239 592 L C 0.963 177.850 176.870 0.029 0.000 1.215 592 L CA 1.363 56.223 54.840 0.033 0.000 1.161 592 L CB -0.369 41.704 42.059 0.024 0.000 1.436 592 L HN 0.879 nan 8.230 nan 0.000 0.414 593 G N 1.425 110.245 108.800 0.033 0.000 2.552 593 G HA2 -0.380 3.580 3.960 0.000 0.000 0.267 593 G HA3 -0.380 3.580 3.960 0.000 0.000 0.267 593 G C 0.865 175.814 174.900 0.082 0.000 1.174 593 G CA 0.345 45.466 45.100 0.034 0.000 0.955 593 G HN 0.446 nan 8.290 nan 0.000 0.546 594 K N 1.077 121.558 120.400 0.135 0.000 2.367 594 K HA 0.168 4.488 4.320 0.000 0.000 0.194 594 K C 0.284 177.021 176.600 0.228 0.000 1.027 594 K CA 0.191 56.587 56.287 0.182 0.000 1.075 594 K CB -0.030 32.590 32.500 0.201 0.000 0.845 594 K HN 0.662 nan 8.250 nan 0.000 0.529 595 H N 1.312 120.377 119.070 -0.010 0.000 2.541 595 H HA 0.225 4.781 4.556 0.000 0.000 0.316 595 H C -0.741 174.566 175.328 -0.036 0.000 1.043 595 H CA -0.752 55.281 56.048 -0.025 0.000 1.232 595 H CB 1.125 30.873 29.762 -0.023 0.000 1.406 595 H HN 0.015 nan 8.280 nan 0.000 0.469 596 L N 2.364 123.587 121.223 0.001 0.000 2.307 596 L HA 0.385 4.726 4.340 0.000 0.000 0.282 596 L C 0.941 177.748 176.870 -0.104 0.000 1.051 596 L CA -0.799 54.014 54.840 -0.045 0.000 0.804 596 L CB 1.407 43.417 42.059 -0.082 0.000 1.197 596 L HN 0.667 nan 8.230 nan 0.000 0.431 597 G N 4.674 113.432 108.800 -0.069 0.000 2.800 597 G HA2 0.570 4.530 3.960 0.000 0.000 0.340 597 G HA3 0.570 4.530 3.960 0.000 0.000 0.340 597 G C -0.269 174.577 174.900 -0.089 0.000 1.089 597 G CA -0.342 44.709 45.100 -0.081 0.000 1.144 597 G HN 0.440 nan 8.290 nan 0.000 0.461 598 I N 2.476 122.922 120.570 -0.206 0.000 2.440 598 I HA 0.238 4.409 4.170 0.000 0.000 0.294 598 I C -2.132 174.008 176.117 0.039 0.000 0.995 598 I CA -2.363 58.860 61.300 -0.128 0.000 1.306 598 I CB 2.297 40.116 38.000 -0.300 0.000 1.407 598 I HN 0.157 nan 8.210 nan 0.000 0.501 599 P HA 0.005 nan 4.420 nan 0.000 0.267 599 P C -0.782 176.667 177.300 0.247 0.000 1.205 599 P CA -0.215 62.989 63.100 0.174 0.000 0.765 599 P CB 0.418 32.217 31.700 0.164 0.000 0.828 600 K N 6.374 126.883 120.400 0.181 0.000 2.349 600 K HA 0.162 4.482 4.320 0.000 0.000 0.289 600 K C -2.122 174.417 176.600 -0.101 0.000 1.064 600 K CA -1.679 54.591 56.287 -0.028 0.000 0.947 600 K CB 0.179 32.456 32.500 -0.372 0.000 1.007 600 K HN 0.303 nan 8.250 nan 0.000 0.478 601 P HA 0.105 nan 4.420 nan 0.000 0.245 601 P C -0.996 176.153 177.300 -0.252 0.000 1.740 601 P CA -0.494 62.537 63.100 -0.114 0.000 1.125 601 P CB -0.092 31.471 31.700 -0.229 0.000 1.747 602 F N 2.405 122.291 119.950 -0.106 0.000 2.583 602 F HA 0.185 4.712 4.527 0.000 0.000 0.330 602 F C 1.751 177.400 175.800 -0.251 0.000 1.298 602 F CA 0.769 58.690 58.000 -0.130 0.000 1.099 602 F CB -0.719 38.264 39.000 -0.028 0.000 1.540 602 F HN 0.234 nan 8.300 nan 0.000 0.673 603 G N 1.880 110.529 108.800 -0.251 0.000 2.557 603 G HA2 0.496 4.456 3.960 0.000 0.000 0.302 603 G HA3 0.496 4.456 3.960 0.000 0.000 0.302 603 G C -2.788 171.938 174.900 -0.290 0.000 1.311 603 G CA -2.066 42.825 45.100 -0.349 0.000 1.030 603 G HN 0.084 nan 8.290 nan 0.000 0.509 604 P HA 0.059 nan 4.420 nan 0.000 0.255 604 P C -0.194 176.964 177.300 -0.236 0.000 1.161 604 P CA 0.072 62.973 63.100 -0.332 0.000 0.768 604 P CB 0.429 31.823 31.700 -0.510 0.000 0.746 605 V N 6.318 126.129 119.914 -0.172 0.000 2.408 605 V HA 0.190 4.310 4.120 0.000 0.000 0.267 605 V C 0.623 176.647 176.094 -0.117 0.000 1.047 605 V CA -0.016 62.203 62.300 -0.134 0.000 0.937 605 V CB 0.208 31.978 31.823 -0.089 0.000 0.999 605 V HN 0.375 nan 8.190 nan 0.000 0.472 606 I N 3.323 123.806 120.570 -0.145 0.000 2.797 606 I HA 0.383 4.553 4.170 0.000 0.000 0.307 606 I C 0.915 176.971 176.117 -0.101 0.000 1.033 606 I CA -1.229 59.976 61.300 -0.158 0.000 1.071 606 I CB 1.143 38.945 38.000 -0.330 0.000 1.255 606 I HN 0.698 nan 8.210 nan 0.000 0.445 607 N N 2.901 121.571 118.700 -0.049 0.000 2.701 607 N HA -0.216 4.524 4.740 0.000 0.000 0.257 607 N C 0.820 176.305 175.510 -0.041 0.000 0.969 607 N CA 0.727 53.759 53.050 -0.030 0.000 0.786 607 N CB -0.762 37.702 38.487 -0.038 0.000 0.917 607 N HN 1.098 nan 8.380 nan 0.000 0.541 608 G N 0.403 109.179 108.800 -0.039 0.000 2.412 608 G HA2 -0.323 3.638 3.960 0.000 0.000 0.297 608 G HA3 -0.323 3.638 3.960 0.000 0.000 0.297 608 G C -0.196 174.667 174.900 -0.063 0.000 0.965 608 G CA 0.589 45.663 45.100 -0.043 0.000 1.134 608 G HN 0.511 nan 8.290 nan 0.000 0.511 609 R N -0.393 120.053 120.500 -0.090 0.000 3.072 609 R HA 0.161 4.501 4.340 0.000 0.000 0.293 609 R C 0.201 176.409 176.300 -0.154 0.000 1.210 609 R CA -0.152 55.878 56.100 -0.117 0.000 1.121 609 R CB -0.032 30.210 30.300 -0.096 0.000 1.286 609 R HN 0.722 nan 8.270 nan 0.000 0.393 610 C N 4.971 124.154 119.300 -0.195 0.000 2.334 610 C HA -0.064 4.396 4.460 0.000 0.000 0.395 610 C C 2.548 177.412 174.990 -0.210 0.000 1.507 610 C CA 0.229 59.109 59.018 -0.230 0.000 1.494 610 C CB -1.054 26.496 27.740 -0.317 0.000 2.509 610 C HN 0.896 nan 8.230 nan 0.000 0.599 611 C N 4.646 123.841 119.300 -0.175 0.000 2.425 611 C HA -0.085 4.375 4.460 0.000 0.000 0.277 611 C C 2.304 177.243 174.990 -0.085 0.000 1.280 611 C CA 1.097 60.046 59.018 -0.114 0.000 1.744 611 C CB -1.877 25.818 27.740 -0.075 0.000 1.989 611 C HN 0.918 nan 8.230 nan 0.000 0.491 612 L N 1.090 122.248 121.223 -0.108 0.000 1.988 612 L HA -0.146 4.194 4.340 0.000 0.000 0.207 612 L C 3.009 179.781 176.870 -0.163 0.000 1.071 612 L CA 2.242 57.017 54.840 -0.109 0.000 0.744 612 L CB -0.978 40.960 42.059 -0.202 0.000 0.893 612 L HN 0.357 nan 8.230 nan 0.000 0.433 613 E N 0.102 120.087 120.200 -0.357 0.000 2.108 613 E HA -0.307 4.043 4.350 0.000 0.000 0.203 613 E C 2.203 178.640 176.600 -0.273 0.000 1.022 613 E CA 1.713 57.724 56.400 -0.649 0.000 0.823 613 E CB 0.006 29.170 29.700 -0.894 0.000 0.744 613 E HN 0.319 nan 8.360 nan 0.000 0.456 614 E N 0.073 120.162 120.200 -0.185 0.000 2.077 614 E HA -0.229 4.121 4.350 0.000 0.000 0.193 614 E C 2.016 178.604 176.600 -0.020 0.000 0.989 614 E CA 1.252 57.603 56.400 -0.082 0.000 0.800 614 E CB -0.025 29.622 29.700 -0.088 0.000 0.746 614 E HN 0.003 nan 8.360 nan 0.000 0.452 615 K N 0.554 120.944 120.400 -0.017 0.000 2.057 615 K HA -0.090 4.231 4.320 0.000 0.000 0.207 615 K C 2.033 178.664 176.600 0.052 0.000 1.049 615 K CA 1.071 57.369 56.287 0.019 0.000 0.931 615 K CB -0.575 31.939 32.500 0.023 0.000 0.714 615 K HN -0.052 nan 8.250 nan 0.000 0.440 616 V N 0.346 120.310 119.914 0.084 0.000 2.332 616 V HA -0.360 3.760 4.120 0.000 0.000 0.248 616 V C 2.413 178.586 176.094 0.133 0.000 1.055 616 V CA 2.043 64.429 62.300 0.143 0.000 1.038 616 V CB -0.554 31.429 31.823 0.267 0.000 0.651 616 V HN 0.502 nan 8.190 nan 0.000 0.450 617 C N 0.485 119.871 119.300 0.143 0.000 2.440 617 C HA -0.088 4.372 4.460 0.000 0.000 0.278 617 C C 3.013 178.037 174.990 0.056 0.000 1.295 617 C CA 1.155 60.236 59.018 0.105 0.000 1.738 617 C CB -1.176 26.630 27.740 0.111 0.000 1.987 617 C HN 0.748 nan 8.230 nan 0.000 0.492 618 S N 0.197 115.924 115.700 0.045 0.000 2.603 618 S HA 0.102 4.572 4.470 0.000 0.000 0.229 618 S C 1.305 175.923 174.600 0.030 0.000 0.972 618 S CA 0.912 59.130 58.200 0.030 0.000 0.935 618 S CB -0.439 62.774 63.200 0.022 0.000 0.769 618 S HN 0.660 nan 8.310 nan 0.000 0.536 619 L N -0.663 120.584 121.223 0.040 0.000 2.500 619 L HA 0.361 4.701 4.340 0.000 0.000 0.219 619 L C 2.082 178.973 176.870 0.034 0.000 1.057 619 L CA 0.282 55.144 54.840 0.038 0.000 0.854 619 L CB -0.113 41.975 42.059 0.048 0.000 1.078 619 L HN 0.265 nan 8.230 nan 0.000 0.480 620 L N -0.787 120.459 121.223 0.038 0.000 2.269 620 L HA 0.044 4.385 4.340 0.000 0.000 0.200 620 L C 2.235 179.114 176.870 0.015 0.000 1.069 620 L CA 0.566 55.422 54.840 0.027 0.000 0.804 620 L CB -0.272 41.802 42.059 0.025 0.000 0.987 620 L HN 0.118 nan 8.230 nan 0.000 0.468 621 E N 0.894 121.102 120.200 0.013 0.000 2.114 621 E HA -0.219 4.131 4.350 0.000 0.000 0.199 621 E C -0.913 175.689 176.600 0.003 0.000 1.008 621 E CA 1.630 58.031 56.400 0.002 0.000 0.810 621 E CB -0.854 28.849 29.700 0.005 0.000 0.739 621 E HN 0.437 nan 8.360 nan 0.000 0.456 622 P HA -0.115 nan 4.420 nan 0.000 0.236 622 P C 0.778 178.082 177.300 0.007 0.000 1.172 622 P CA 1.035 64.139 63.100 0.007 0.000 0.759 622 P CB 0.090 31.795 31.700 0.008 0.000 0.843 623 L N -2.129 119.099 121.223 0.009 0.000 2.609 623 L HA 0.321 4.661 4.340 0.000 0.000 0.230 623 L C 1.625 178.502 176.870 0.013 0.000 1.087 623 L CA 0.819 55.666 54.840 0.012 0.000 0.874 623 L CB -0.140 41.930 42.059 0.018 0.000 1.114 623 L HN 0.098 nan 8.230 nan 0.000 0.488 624 G N -0.401 108.402 108.800 0.006 0.000 2.211 624 G HA2 -0.176 3.785 3.960 0.000 0.000 0.201 624 G HA3 -0.176 3.785 3.960 0.000 0.000 0.201 624 G C 0.150 175.043 174.900 -0.012 0.000 0.997 624 G CA -0.579 44.522 45.100 0.002 0.000 0.652 624 G HN -0.008 nan 8.290 nan 0.000 0.500 625 L N 1.100 122.317 121.223 -0.011 0.000 2.426 625 L HA 0.393 4.733 4.340 0.000 0.000 0.271 625 L C 0.843 177.660 176.870 -0.088 0.000 1.169 625 L CA 0.410 55.232 54.840 -0.031 0.000 0.836 625 L CB 0.957 43.009 42.059 -0.011 0.000 1.112 625 L HN 0.455 nan 8.230 nan 0.000 0.465 626 Q N 2.272 121.971 119.800 -0.168 0.000 2.466 626 Q HA 0.230 4.570 4.340 0.000 0.000 0.242 626 Q C -1.088 174.791 176.000 -0.201 0.000 1.046 626 Q CA -0.524 55.136 55.803 -0.238 0.000 0.841 626 Q CB 0.788 29.220 28.738 -0.509 0.000 1.193 626 Q HN 0.708 nan 8.270 nan 0.000 0.508 627 C N 3.472 122.673 119.300 -0.166 0.000 2.576 627 C HA 0.432 4.892 4.460 0.000 0.000 0.401 627 C C 0.649 175.437 174.990 -0.337 0.000 1.314 627 C CA -0.345 58.504 59.018 -0.282 0.000 1.855 627 C CB -0.674 26.926 27.740 -0.233 0.000 2.537 627 C HN 0.767 nan 8.230 nan 0.000 0.578 628 T N 1.288 115.564 114.554 -0.463 0.000 2.879 628 T HA 0.666 5.016 4.350 0.000 0.000 0.290 628 T C -0.937 173.473 174.700 -0.483 0.000 0.993 628 T CA -0.446 61.472 62.100 -0.303 0.000 0.975 628 T CB 0.584 69.380 68.868 -0.120 0.000 0.981 628 T HN 0.316 nan 8.240 nan 0.000 0.439 629 F N 3.168 123.096 119.950 -0.036 0.000 2.420 629 F HA 0.702 5.229 4.527 0.000 0.000 0.342 629 F C 0.110 175.888 175.800 -0.038 0.000 1.113 629 F CA -1.132 56.838 58.000 -0.051 0.000 1.059 629 F CB 0.983 39.917 39.000 -0.110 0.000 1.128 629 F HN 0.456 nan 8.300 nan 0.000 0.475 630 I N 1.762 122.402 120.570 0.117 0.000 3.133 630 I HA 0.386 4.556 4.170 0.000 0.000 0.311 630 I C -0.412 175.790 176.117 0.143 0.000 1.072 630 I CA -0.864 60.499 61.300 0.104 0.000 1.015 630 I CB 1.740 39.783 38.000 0.073 0.000 1.233 630 I HN 0.511 nan 8.210 nan 0.000 0.473 631 N N 0.921 119.719 118.700 0.164 0.000 2.370 631 N HA 0.440 5.180 4.740 0.000 0.000 0.303 631 N C -1.618 173.987 175.510 0.158 0.000 1.103 631 N CA -0.441 52.747 53.050 0.231 0.000 0.848 631 N CB 1.466 40.131 38.487 0.296 0.000 1.235 631 N HN 0.655 nan 8.380 nan 0.000 0.496 646 G N 2.995 111.828 108.800 0.055 0.000 2.404 646 G HA2 0.477 4.437 3.960 0.000 0.000 0.289 646 G HA3 0.477 4.437 3.960 0.000 0.000 0.289 646 G C 0.180 175.118 174.900 0.065 0.000 1.074 646 G CA 1.301 46.434 45.100 0.055 0.000 1.210 646 G HN 0.993 nan 8.290 nan 0.000 0.434 647 T N -0.245 114.354 114.554 0.075 0.000 2.889 647 T HA 0.542 4.893 4.350 0.000 0.000 0.315 647 T C -0.714 174.051 174.700 0.108 0.000 1.291 647 T CA -1.079 61.078 62.100 0.094 0.000 1.028 647 T CB 2.065 70.984 68.868 0.085 0.000 1.235 647 T HN 0.427 nan 8.240 nan 0.000 0.491 648 N N -0.334 118.457 118.700 0.152 0.000 2.321 648 N HA 0.724 5.465 4.740 0.000 0.000 0.290 648 N C -1.739 173.913 175.510 0.236 0.000 1.212 648 N CA -1.008 52.140 53.050 0.164 0.000 0.767 648 N CB 2.568 41.126 38.487 0.119 0.000 1.494 648 N HN 0.486 nan 8.380 nan 0.000 0.479 649 V N 1.652 121.692 119.914 0.210 0.000 2.462 649 V HA 0.330 4.450 4.120 0.000 0.000 0.288 649 V C -0.313 175.908 176.094 0.211 0.000 1.020 649 V CA -0.682 61.741 62.300 0.205 0.000 0.857 649 V CB 1.200 33.096 31.823 0.121 0.000 1.013 649 V HN 0.606 nan 8.190 nan 0.000 0.431 650 R N 4.680 125.363 120.500 0.305 0.000 2.347 650 R HA 0.482 4.822 4.340 0.000 0.000 0.304 650 R C -0.360 176.014 176.300 0.123 0.000 1.072 650 R CA -0.001 56.250 56.100 0.251 0.000 0.980 650 R CB 0.643 31.189 30.300 0.409 0.000 0.986 650 R HN 0.689 nan 8.270 nan 0.000 0.448 651 R N 2.371 122.902 120.500 0.050 0.000 2.892 651 R HA 0.256 4.596 4.340 0.000 0.000 0.265 651 R C -0.656 175.584 176.300 -0.100 0.000 1.025 651 R CA -1.108 54.976 56.100 -0.026 0.000 0.982 651 R CB 1.401 31.672 30.300 -0.049 0.000 1.185 651 R HN 0.349 nan 8.270 nan 0.000 0.484 652 K N 2.213 122.526 120.400 -0.145 0.000 2.412 652 K HA 0.105 4.425 4.320 0.000 0.000 0.284 652 K C -2.347 174.052 176.600 -0.335 0.000 1.046 652 K CA -1.017 55.147 56.287 -0.205 0.000 0.999 652 K CB 0.448 32.848 32.500 -0.165 0.000 0.941 652 K HN 0.120 nan 8.250 nan 0.000 0.474 653 P HA -0.043 nan 4.420 nan 0.000 0.269 653 P C -0.768 176.308 177.300 -0.373 0.000 1.209 653 P CA 0.068 62.728 63.100 -0.734 0.000 0.776 653 P CB 0.293 31.258 31.700 -1.224 0.000 0.876 654 F N 0.858 120.740 119.950 -0.113 0.000 2.608 654 F HA -0.058 4.469 4.527 0.000 0.000 0.380 654 F C 1.992 177.795 175.800 0.006 0.000 1.083 654 F CA 0.820 58.831 58.000 0.018 0.000 1.266 654 F CB -0.183 38.895 39.000 0.130 0.000 1.076 654 F HN 0.329 nan 8.300 nan 0.000 0.574 655 S N 2.595 118.408 115.700 0.188 0.000 2.399 655 S HA -0.205 4.265 4.470 0.000 0.000 0.231 655 S C 0.601 175.252 174.600 0.085 0.000 1.022 655 S CA 0.426 58.678 58.200 0.088 0.000 0.983 655 S CB -0.383 62.857 63.200 0.067 0.000 0.803 655 S HN 0.492 nan 8.310 nan 0.000 0.480 656 F N 3.518 123.491 119.950 0.039 0.000 2.578 656 F HA 0.091 4.618 4.527 0.001 0.000 0.376 656 F C 0.303 176.005 175.800 -0.163 0.000 1.085 656 F CA -0.333 57.627 58.000 -0.067 0.000 1.260 656 F CB 0.467 39.427 39.000 -0.066 0.000 1.095 656 F HN -0.207 nan 8.300 nan 0.000 0.573 657 K N 8.813 128.795 120.400 -0.696 0.000 2.316 657 K HA -0.069 4.251 4.320 0.000 0.000 0.289 657 K C 1.095 177.246 176.600 -0.749 0.000 1.070 657 K CA -0.288 55.384 56.287 -1.025 0.000 0.928 657 K CB 0.182 31.586 32.500 -1.827 0.000 1.039 657 K HN 0.880 nan 8.250 nan 0.000 0.480 658 W N 3.696 124.868 121.300 -0.214 0.000 2.296 658 W HA -0.265 4.396 4.660 0.001 0.000 0.296 658 W C 0.811 177.520 176.519 0.317 0.000 1.220 658 W CA 1.127 58.550 57.345 0.131 0.000 1.223 658 W CB -1.032 28.530 29.460 0.172 0.000 1.139 658 W HN 0.751 nan 8.180 nan 0.000 0.534 659 W N 1.908 122.732 121.300 -0.793 0.000 3.077 659 W HA 0.239 4.899 4.660 0.000 0.000 0.245 659 W C 0.924 177.391 176.519 -0.086 0.000 1.316 659 W CA 0.487 57.424 57.345 -0.679 0.000 1.537 659 W CB -1.790 26.915 29.460 -1.259 0.000 1.131 659 W HN -0.120 nan 8.180 nan 0.000 0.695 660 N N 0.224 118.828 118.700 -0.160 0.000 2.236 660 N HA 0.080 4.821 4.740 0.000 0.000 0.196 660 N C 1.001 176.712 175.510 0.334 0.000 1.114 660 N CA -0.317 52.716 53.050 -0.028 0.000 0.859 660 N CB 0.066 38.227 38.487 -0.542 0.000 0.982 660 N HN 0.098 nan 8.380 nan 0.000 0.493 661 M N 1.165 121.055 119.600 0.482 0.000 1.868 661 M HA 0.101 4.581 4.480 0.000 0.000 0.227 661 M C -0.247 176.172 176.300 0.198 0.000 1.334 661 M CA 0.311 55.784 55.300 0.289 0.000 0.974 661 M CB 0.689 33.396 32.600 0.177 0.000 1.303 661 M HN -0.093 nan 8.290 nan 0.000 0.446 662 V N 0.049 119.942 119.914 -0.035 0.000 2.666 662 V HA 0.437 4.557 4.120 0.000 0.000 0.269 662 V C -2.512 173.402 176.094 -0.300 0.000 0.926 662 V CA -1.484 60.748 62.300 -0.113 0.000 1.035 662 V CB -0.738 31.061 31.823 -0.040 0.000 1.099 662 V HN 0.693 nan 8.190 nan 0.000 0.519 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.822 63.100 -0.463 0.000 0.800 663 P CB 0.000 31.271 31.700 -0.715 0.000 0.726