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 3hpa_1_A DATA FIRST_RESID 29 DATA SEQUENCE KTLLVKHADV LVTMDDTRRE LRDAGLYIED NRIVAVGPSA ELPETADEVL DATA SEQUENCE DLRGHLVIPG LVNTHHHMYQ SLTRAVPAAQ NAELFGWLTN LYKIWAHLTP DATA SEQUENCE EMIEVSTLTA MAELLQSGCT TSSDHLYIYP NGSRLDDSIG AAQRIGMRFH DATA SEQUENCE ASRGAMSXXX XXXXXXXXXX XXXEPDILRD TQRLIETYHD EGRYAMLRVV DATA SEQUENCE VAPCSPFSVS RDLMRDAAVL AREYGVSLHT HLAENVNDIA YXXXXXXXTP DATA SEQUENCE AEYAEDLGWV GHDVWHAHCV QLDDAGIGLF ARTGTGVAHC PCSNMRLASG DATA SEQUENCE IAPVKKMRLA GVPVGLGVDG SASNDGAQMV AEVRQALLLQ RVGFGPDAMT DATA SEQUENCE AREALEIATL GGAKVLNRDD IGALKPGMAA DFAAFDLRQP LFAGALHDPV DATA SEQUENCE AALVFCAPSQ TAYTVVNGKV VVREGRLATL DLPPVIERHN ALAHALVEAA DATA SEQUENCE R 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 29 K HA 0.000 nan 4.320 nan 0.000 0.191 29 K C 0.000 176.541 176.600 -0.098 0.000 0.988 29 K CA 0.000 56.252 56.287 -0.059 0.000 0.838 29 K CB 0.000 32.468 32.500 -0.054 0.000 1.064 30 T N -0.164 114.335 114.554 -0.092 0.000 2.867 30 T HA 0.714 5.064 4.350 -0.000 0.000 0.282 30 T C -0.616 174.007 174.700 -0.128 0.000 1.000 30 T CA -0.887 61.112 62.100 -0.168 0.000 1.042 30 T CB 1.394 70.204 68.868 -0.096 0.000 0.973 30 T HN 0.356 nan 8.240 nan 0.000 0.465 31 L N 3.119 124.225 121.223 -0.195 0.000 2.406 31 L HA 0.775 5.115 4.340 -0.000 0.000 0.272 31 L C -1.623 175.199 176.870 -0.079 0.000 0.980 31 L CA -1.042 53.740 54.840 -0.095 0.000 0.831 31 L CB 1.743 43.767 42.059 -0.059 0.000 1.253 31 L HN 0.830 nan 8.230 nan 0.000 0.406 32 L N 6.009 127.236 121.223 0.006 0.000 2.341 32 L HA 0.797 5.137 4.340 -0.000 0.000 0.278 32 L C -1.368 175.481 176.870 -0.036 0.000 1.005 32 L CA -0.330 54.542 54.840 0.052 0.000 0.818 32 L CB 2.028 44.157 42.059 0.116 0.000 1.259 32 L HN 0.409 nan 8.230 nan 0.000 0.418 33 V N 5.465 125.326 119.914 -0.089 0.000 2.495 33 V HA 0.641 4.761 4.120 -0.000 0.000 0.298 33 V C -0.417 175.566 176.094 -0.186 0.000 1.031 33 V CA -0.616 61.585 62.300 -0.166 0.000 0.871 33 V CB 1.628 33.275 31.823 -0.293 0.000 0.988 33 V HN 0.890 nan 8.190 nan 0.000 0.432 34 K N 2.109 122.384 120.400 -0.209 0.000 2.512 34 K HA 0.656 4.976 4.320 -0.000 0.000 0.263 34 K C -0.092 176.355 176.600 -0.254 0.000 0.966 34 K CA -0.903 55.185 56.287 -0.331 0.000 0.851 34 K CB 1.582 33.773 32.500 -0.514 0.000 1.395 34 K HN 0.640 nan 8.250 nan 0.000 0.440 35 H N -1.284 117.756 119.070 -0.050 0.000 3.047 35 H HA -0.204 4.352 4.556 0.000 0.000 0.263 35 H C -0.096 175.220 175.328 -0.020 0.000 1.168 35 H CA 0.412 56.441 56.048 -0.031 0.000 1.152 35 H CB -1.617 28.132 29.762 -0.022 0.000 1.278 35 H HN 0.826 nan 8.280 nan 0.000 0.339 36 A N 0.822 123.664 122.820 0.036 0.000 2.561 36 A HA 0.010 4.330 4.320 -0.000 0.000 0.234 36 A C 1.231 178.848 177.584 0.056 0.000 1.055 36 A CA 0.539 52.601 52.037 0.041 0.000 0.756 36 A CB 0.384 19.374 19.000 -0.015 0.000 0.986 36 A HN 0.363 nan 8.150 nan 0.000 0.505 37 D N 0.299 120.740 120.400 0.068 0.000 2.092 37 D HA -0.016 4.624 4.640 -0.000 0.000 0.193 37 D C 0.370 176.681 176.300 0.018 0.000 0.994 37 D CA 1.850 55.872 54.000 0.037 0.000 0.828 37 D CB -0.084 40.725 40.800 0.016 0.000 0.963 37 D HN 0.272 nan 8.370 nan 0.000 0.450 38 V N 0.634 120.558 119.914 0.016 0.000 2.686 38 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 38 V C -1.168 174.934 176.094 0.014 0.000 1.065 38 V CA -0.973 61.332 62.300 0.008 0.000 0.894 38 V CB 2.756 34.577 31.823 -0.004 0.000 1.004 38 V HN -0.058 nan 8.190 nan 0.000 0.424 39 L N 6.083 127.308 121.223 0.002 0.000 2.415 39 L HA 0.649 4.989 4.340 -0.000 0.000 0.268 39 L C -0.576 176.295 176.870 0.002 0.000 0.984 39 L CA -0.411 54.424 54.840 -0.008 0.000 0.853 39 L CB 1.614 43.647 42.059 -0.044 0.000 1.215 39 L HN 0.572 nan 8.230 nan 0.000 0.419 40 V N 5.151 125.078 119.914 0.021 0.000 2.432 40 V HA 0.375 4.495 4.120 -0.000 0.000 0.271 40 V C 1.180 177.288 176.094 0.023 0.000 1.046 40 V CA 0.706 63.021 62.300 0.025 0.000 0.945 40 V CB 1.199 33.045 31.823 0.039 0.000 0.992 40 V HN 0.996 nan 8.190 nan 0.000 0.471 41 T N 3.406 117.968 114.554 0.014 0.000 3.044 41 T HA 0.064 4.414 4.350 -0.000 0.000 0.255 41 T C 1.188 175.901 174.700 0.022 0.000 1.073 41 T CA 0.601 62.709 62.100 0.012 0.000 1.125 41 T CB -0.180 68.689 68.868 0.002 0.000 0.908 41 T HN 0.885 nan 8.240 nan 0.000 0.480 42 M N 2.564 122.177 119.600 0.022 0.000 2.576 42 M HA -0.128 4.352 4.480 -0.000 0.000 0.200 42 M C -0.486 175.824 176.300 0.017 0.000 0.487 42 M CA 0.784 56.097 55.300 0.022 0.000 0.553 42 M CB -2.542 30.075 32.600 0.028 0.000 2.042 42 M HN 0.773 nan 8.290 nan 0.000 0.758 43 D N -0.815 119.593 120.400 0.014 0.000 2.478 43 D HA 0.258 4.898 4.640 -0.000 0.000 0.274 43 D C 0.960 177.266 176.300 0.009 0.000 1.234 43 D CA 0.006 54.013 54.000 0.012 0.000 1.069 43 D CB 0.364 41.170 40.800 0.010 0.000 1.113 43 D HN 0.146 nan 8.370 nan 0.000 0.571 44 D N -0.913 119.491 120.400 0.007 0.000 2.157 44 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 44 D C 1.440 177.743 176.300 0.005 0.000 1.004 44 D CA 2.729 56.733 54.000 0.005 0.000 0.854 44 D CB -0.528 40.275 40.800 0.004 0.000 0.936 44 D HN 0.684 nan 8.370 nan 0.000 0.446 45 T N -2.047 112.510 114.554 0.006 0.000 3.223 45 T HA 0.170 4.520 4.350 -0.000 0.000 0.259 45 T C 0.507 175.212 174.700 0.008 0.000 1.015 45 T CA -0.523 61.581 62.100 0.006 0.000 0.908 45 T CB 0.345 69.216 68.868 0.005 0.000 1.054 45 T HN -0.100 nan 8.240 nan 0.000 0.567 46 R N 1.296 121.802 120.500 0.009 0.000 3.502 46 R HA -0.128 4.212 4.340 -0.000 0.000 0.266 46 R C -0.206 176.101 176.300 0.012 0.000 1.077 46 R CA 0.335 56.443 56.100 0.012 0.000 0.718 46 R CB -2.142 28.166 30.300 0.014 0.000 1.120 46 R HN 0.668 nan 8.270 nan 0.000 0.457 47 R N 1.181 121.686 120.500 0.009 0.000 2.698 47 R HA 0.067 4.407 4.340 -0.000 0.000 0.266 47 R C 0.238 176.542 176.300 0.008 0.000 1.026 47 R CA 0.508 56.612 56.100 0.006 0.000 1.102 47 R CB 0.445 30.746 30.300 0.002 0.000 0.978 47 R HN 0.217 nan 8.270 nan 0.000 0.436 48 E N 3.457 123.662 120.200 0.007 0.000 2.373 48 E HA 0.203 4.553 4.350 -0.000 0.000 0.251 48 E C -0.786 175.816 176.600 0.004 0.000 0.923 48 E CA -0.317 56.088 56.400 0.008 0.000 0.798 48 E CB 1.342 31.050 29.700 0.014 0.000 1.303 48 E HN 0.287 nan 8.360 nan 0.000 0.412 49 L N 2.053 123.275 121.223 -0.002 0.000 2.379 49 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 49 L C 0.432 177.301 176.870 -0.003 0.000 1.084 49 L CA -0.784 54.052 54.840 -0.005 0.000 0.802 49 L CB 0.921 42.972 42.059 -0.014 0.000 1.175 49 L HN 0.252 nan 8.230 nan 0.000 0.448 50 R N 0.850 121.350 120.500 0.001 0.000 2.562 50 R HA 0.222 4.562 4.340 -0.000 0.000 0.298 50 R C -0.801 175.508 176.300 0.016 0.000 0.961 50 R CA -0.748 55.357 56.100 0.007 0.000 0.881 50 R CB 1.233 31.538 30.300 0.007 0.000 1.159 50 R HN 0.650 nan 8.270 nan 0.000 0.450 51 D N 1.075 121.493 120.400 0.030 0.000 2.705 51 D HA -0.172 4.468 4.640 -0.000 0.000 0.240 51 D C -1.457 174.863 176.300 0.034 0.000 1.137 51 D CA 1.165 55.204 54.000 0.066 0.000 0.677 51 D CB -0.510 40.335 40.800 0.075 0.000 1.049 51 D HN 0.673 nan 8.370 nan 0.000 0.427 52 A N -0.707 122.108 122.820 -0.007 0.000 2.437 52 A HA 1.027 5.347 4.320 -0.000 0.000 0.288 52 A C 0.685 178.207 177.584 -0.103 0.000 1.201 52 A CA 0.177 52.182 52.037 -0.054 0.000 0.795 52 A CB 2.040 21.012 19.000 -0.045 0.000 1.359 52 A HN 0.734 nan 8.150 nan 0.000 0.435 53 G N -1.723 107.002 108.800 -0.125 0.000 2.650 53 G HA2 0.585 4.545 3.960 -0.000 0.000 0.310 53 G HA3 0.585 4.545 3.960 -0.000 0.000 0.310 53 G C -1.944 172.863 174.900 -0.156 0.000 1.270 53 G CA -0.572 44.427 45.100 -0.169 0.000 0.810 53 G HN 0.921 nan 8.290 nan 0.000 0.493 54 L N -0.488 120.636 121.223 -0.166 0.000 2.409 54 L HA 0.537 4.877 4.340 -0.000 0.000 0.262 54 L C -1.674 175.195 176.870 -0.002 0.000 0.992 54 L CA -0.952 53.819 54.840 -0.114 0.000 0.817 54 L CB 2.705 44.628 42.059 -0.226 0.000 1.350 54 L HN 0.564 nan 8.230 nan 0.000 0.411 55 Y N 3.205 123.446 120.300 -0.099 0.000 2.334 55 Y HA 0.688 5.237 4.550 -0.001 0.000 0.336 55 Y C -0.803 175.063 175.900 -0.057 0.000 0.960 55 Y CA -0.859 57.197 58.100 -0.074 0.000 1.164 55 Y CB 1.071 39.492 38.460 -0.065 0.000 1.155 55 Y HN 0.365 nan 8.280 nan 0.000 0.478 56 I N 5.444 125.685 120.570 -0.547 0.000 2.474 56 I HA 0.353 4.523 4.170 -0.000 0.000 0.294 56 I C -0.784 175.017 176.117 -0.527 0.000 1.005 56 I CA -0.762 60.290 61.300 -0.414 0.000 1.113 56 I CB 2.058 39.944 38.000 -0.190 0.000 1.289 56 I HN 0.511 nan 8.210 nan 0.000 0.436 57 E N 5.670 125.652 120.200 -0.364 0.000 2.145 57 E HA 0.233 4.583 4.350 -0.000 0.000 0.262 57 E C -0.768 175.712 176.600 -0.200 0.000 0.883 57 E CA -0.418 55.818 56.400 -0.274 0.000 0.748 57 E CB 1.119 30.698 29.700 -0.200 0.000 1.140 57 E HN 0.570 nan 8.360 nan 0.000 0.417 58 D N 1.997 122.299 120.400 -0.162 0.000 4.134 58 D HA -0.277 4.363 4.640 -0.000 0.000 0.141 58 D C 0.658 176.868 176.300 -0.151 0.000 0.779 58 D CA 1.907 55.828 54.000 -0.131 0.000 1.126 58 D CB -0.700 40.032 40.800 -0.114 0.000 0.523 58 D HN 0.696 nan 8.370 nan 0.000 0.513 59 N N 1.694 120.279 118.700 -0.191 0.000 2.234 59 N HA 0.030 4.769 4.740 -0.000 0.000 0.227 59 N C -0.176 175.110 175.510 -0.373 0.000 1.151 59 N CA -0.054 52.865 53.050 -0.218 0.000 0.865 59 N CB 0.376 38.764 38.487 -0.165 0.000 1.066 59 N HN 0.593 nan 8.380 nan 0.000 0.515 60 R N -0.299 119.970 120.500 -0.386 0.000 2.686 60 R HA 0.545 4.885 4.340 -0.000 0.000 0.286 60 R C -0.851 175.316 176.300 -0.223 0.000 0.969 60 R CA -0.777 55.059 56.100 -0.440 0.000 0.898 60 R CB 1.183 31.124 30.300 -0.598 0.000 1.183 60 R HN -0.124 nan 8.270 nan 0.000 0.456 61 I N 3.726 124.217 120.570 -0.132 0.000 2.471 61 I HA -0.004 4.166 4.170 -0.000 0.000 0.286 61 I C 1.425 177.513 176.117 -0.049 0.000 1.079 61 I CA -0.332 60.925 61.300 -0.071 0.000 1.398 61 I CB 1.737 39.727 38.000 -0.017 0.000 1.403 61 I HN 0.697 nan 8.210 nan 0.000 0.530 62 V N 3.154 123.045 119.914 -0.039 0.000 3.379 62 V HA 0.541 4.661 4.120 -0.000 0.000 0.249 62 V C 0.641 176.770 176.094 0.059 0.000 1.184 62 V CA 0.405 62.716 62.300 0.017 0.000 1.106 62 V CB 0.216 32.064 31.823 0.041 0.000 0.826 62 V HN 0.700 nan 8.190 nan 0.000 0.465 63 A N -0.081 122.785 122.820 0.077 0.000 2.488 63 A HA 0.824 5.144 4.320 -0.000 0.000 0.298 63 A C -1.176 176.427 177.584 0.032 0.000 1.044 63 A CA -0.396 51.681 52.037 0.066 0.000 0.693 63 A CB 2.233 21.291 19.000 0.097 0.000 1.272 63 A HN 0.522 nan 8.150 nan 0.000 0.402 64 V N 0.937 120.853 119.914 0.003 0.000 2.760 64 V HA 0.957 5.077 4.120 -0.000 0.000 0.309 64 V C 0.514 176.592 176.094 -0.025 0.000 1.077 64 V CA 0.398 62.684 62.300 -0.023 0.000 0.910 64 V CB 1.483 33.289 31.823 -0.027 0.000 1.008 64 V HN 2.147 nan 8.190 nan 0.000 0.424 65 G N 4.593 113.370 108.800 -0.039 0.000 2.343 65 G HA2 0.383 4.343 3.960 -0.000 0.000 0.289 65 G HA3 0.383 4.343 3.960 -0.000 0.000 0.289 65 G C -3.551 171.323 174.900 -0.043 0.000 1.295 65 G CA -0.826 44.253 45.100 -0.035 0.000 0.869 65 G HN 0.505 nan 8.290 nan 0.000 0.522 66 P HA 0.224 nan 4.420 nan 0.000 0.264 66 P C 0.906 178.176 177.300 -0.050 0.000 1.183 66 P CA 0.316 63.398 63.100 -0.030 0.000 0.763 66 P CB 0.991 32.681 31.700 -0.018 0.000 0.807 67 S N 2.738 118.400 115.700 -0.064 0.000 2.400 67 S HA -0.196 4.274 4.470 -0.000 0.000 0.232 67 S C 1.927 176.475 174.600 -0.087 0.000 1.025 67 S CA 1.561 59.688 58.200 -0.122 0.000 0.993 67 S CB -0.680 62.373 63.200 -0.246 0.000 0.808 67 S HN 0.611 nan 8.310 nan 0.000 0.478 68 A N 1.340 124.140 122.820 -0.034 0.000 1.972 68 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 68 A C 1.814 179.373 177.584 -0.043 0.000 1.169 68 A CA 1.194 53.218 52.037 -0.022 0.000 0.635 68 A CB -0.351 18.648 19.000 -0.001 0.000 0.810 68 A HN 0.554 nan 8.150 nan 0.000 0.446 69 E N -1.397 118.775 120.200 -0.048 0.000 2.489 69 E HA 0.185 4.535 4.350 -0.000 0.000 0.193 69 E C -0.666 175.887 176.600 -0.077 0.000 1.057 69 E CA -0.296 56.072 56.400 -0.053 0.000 0.866 69 E CB 0.097 29.773 29.700 -0.040 0.000 0.916 69 E HN 0.369 nan 8.360 nan 0.000 0.500 70 L N 0.339 121.503 121.223 -0.098 0.000 2.313 70 L HA 0.382 4.722 4.340 -0.000 0.000 0.268 70 L C -2.244 174.512 176.870 -0.189 0.000 1.010 70 L CA -2.433 52.324 54.840 -0.139 0.000 0.814 70 L CB 0.824 42.816 42.059 -0.111 0.000 1.304 70 L HN -0.235 nan 8.230 nan 0.000 0.441 71 P HA 0.058 nan 4.420 nan 0.000 0.266 71 P C -0.187 176.998 177.300 -0.191 0.000 1.193 71 P CA 0.134 63.033 63.100 -0.335 0.000 0.770 71 P CB 0.453 31.733 31.700 -0.699 0.000 0.836 72 E N -0.316 119.805 120.200 -0.132 0.000 2.371 72 E HA 0.025 4.375 4.350 -0.000 0.000 0.194 72 E C -0.048 176.521 176.600 -0.051 0.000 1.012 72 E CA 0.747 57.099 56.400 -0.080 0.000 0.860 72 E CB 0.266 29.935 29.700 -0.052 0.000 0.811 72 E HN 0.499 nan 8.360 nan 0.000 0.502 73 T N -0.421 114.106 114.554 -0.045 0.000 2.816 73 T HA 0.706 5.056 4.350 -0.000 0.000 0.299 73 T C -1.123 173.615 174.700 0.063 0.000 1.230 73 T CA -0.572 61.529 62.100 0.002 0.000 1.007 73 T CB 2.037 70.905 68.868 0.000 0.000 1.289 73 T HN 0.081 nan 8.240 nan 0.000 0.508 74 A N 0.099 122.966 122.820 0.078 0.000 2.536 74 A HA 0.662 4.982 4.320 -0.000 0.000 0.293 74 A C 0.003 177.616 177.584 0.048 0.000 1.119 74 A CA -0.528 51.580 52.037 0.117 0.000 0.654 74 A CB 0.361 19.456 19.000 0.159 0.000 1.291 74 A HN 0.683 nan 8.150 nan 0.000 0.439 75 D N 0.017 120.434 120.400 0.029 0.000 2.144 75 D HA -0.037 4.603 4.640 -0.000 0.000 0.199 75 D C 0.321 176.621 176.300 0.000 0.000 0.984 75 D CA 1.688 55.693 54.000 0.008 0.000 0.834 75 D CB 0.427 41.224 40.800 -0.006 0.000 0.955 75 D HN 0.569 nan 8.370 nan 0.000 0.465 76 E N 0.095 120.291 120.200 -0.005 0.000 2.246 76 E HA 0.358 4.708 4.350 -0.000 0.000 0.266 76 E C -1.315 175.276 176.600 -0.015 0.000 0.880 76 E CA -0.617 55.776 56.400 -0.012 0.000 0.762 76 E CB 2.339 32.027 29.700 -0.020 0.000 1.180 76 E HN -0.159 nan 8.360 nan 0.000 0.416 77 V N 2.353 122.253 119.914 -0.023 0.000 2.540 77 V HA 0.603 4.723 4.120 -0.000 0.000 0.302 77 V C -0.898 175.152 176.094 -0.074 0.000 1.035 77 V CA -0.816 61.462 62.300 -0.035 0.000 0.873 77 V CB 1.316 33.126 31.823 -0.021 0.000 0.992 77 V HN 0.608 nan 8.190 nan 0.000 0.428 78 L N 4.471 125.627 121.223 -0.112 0.000 2.295 78 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 78 L C -0.248 176.513 176.870 -0.181 0.000 1.018 78 L CA -0.266 54.451 54.840 -0.205 0.000 0.841 78 L CB 1.375 43.263 42.059 -0.285 0.000 1.218 78 L HN 0.759 nan 8.230 nan 0.000 0.424 79 D N 5.053 125.374 120.400 -0.132 0.000 2.393 79 D HA 0.139 4.779 4.640 -0.000 0.000 0.232 79 D C 0.351 176.592 176.300 -0.098 0.000 1.192 79 D CA -0.152 53.817 54.000 -0.052 0.000 0.882 79 D CB 1.081 41.905 40.800 0.039 0.000 1.038 79 D HN 0.461 nan 8.370 nan 0.000 0.499 80 L N 3.911 125.061 121.223 -0.123 0.000 2.851 80 L HA 0.220 4.560 4.340 -0.000 0.000 0.237 80 L C 1.363 178.279 176.870 0.075 0.000 1.257 80 L CA -0.435 54.291 54.840 -0.190 0.000 1.061 80 L CB -0.299 41.620 42.059 -0.233 0.000 1.372 80 L HN 0.171 nan 8.230 nan 0.000 0.493 81 R N 0.731 121.309 120.500 0.130 0.000 2.697 81 R HA 0.125 4.465 4.340 -0.000 0.000 0.265 81 R C 1.283 177.743 176.300 0.266 0.000 1.009 81 R CA 1.257 57.454 56.100 0.162 0.000 1.099 81 R CB 0.285 30.642 30.300 0.095 0.000 0.965 81 R HN 0.384 nan 8.270 nan 0.000 0.428 82 G N 1.825 110.724 108.800 0.164 0.000 2.162 82 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 82 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 82 G C -0.602 174.298 174.900 0.000 0.000 0.976 82 G CA 0.643 45.793 45.100 0.084 0.000 0.655 82 G HN 0.754 nan 8.290 nan 0.000 0.533 83 H N -1.465 117.627 119.070 0.037 0.000 2.621 83 H HA 0.697 5.253 4.556 0.001 0.000 0.360 83 H C -0.137 175.210 175.328 0.033 0.000 1.163 83 H CA -0.829 55.251 56.048 0.054 0.000 1.194 83 H CB 1.761 31.581 29.762 0.097 0.000 1.649 83 H HN 0.327 nan 8.280 nan 0.000 0.532 84 L N 3.215 124.537 121.223 0.165 0.000 2.264 84 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 84 L C -0.890 176.125 176.870 0.242 0.000 1.044 84 L CA -0.742 54.174 54.840 0.126 0.000 0.807 84 L CB 0.509 42.590 42.059 0.036 0.000 1.192 84 L HN 0.506 nan 8.230 nan 0.000 0.425 85 V N 3.991 124.000 119.914 0.158 0.000 2.459 85 V HA 0.702 4.822 4.120 -0.000 0.000 0.295 85 V C -0.188 175.996 176.094 0.149 0.000 1.029 85 V CA -0.555 61.839 62.300 0.156 0.000 0.874 85 V CB 1.365 33.189 31.823 0.001 0.000 0.985 85 V HN 0.754 nan 8.190 nan 0.000 0.438 86 I N 4.813 125.520 120.570 0.229 0.000 2.828 86 I HA 0.542 4.712 4.170 -0.000 0.000 0.302 86 I C -2.460 173.786 176.117 0.215 0.000 1.101 86 I CA -2.442 58.981 61.300 0.206 0.000 1.031 86 I CB 3.502 41.661 38.000 0.266 0.000 1.231 86 I HN 0.500 nan 8.210 nan 0.000 0.427 87 P HA 0.045 nan 4.420 nan 0.000 0.269 87 P C -0.102 177.296 177.300 0.162 0.000 1.209 87 P CA -0.056 63.139 63.100 0.158 0.000 0.776 87 P CB 0.359 32.119 31.700 0.101 0.000 0.876 88 G N 2.858 111.747 108.800 0.148 0.000 2.321 88 G HA2 0.134 4.094 3.960 -0.000 0.000 0.237 88 G HA3 0.134 4.094 3.960 -0.000 0.000 0.237 88 G C 0.191 175.143 174.900 0.087 0.000 1.282 88 G CA -0.455 44.707 45.100 0.103 0.000 0.886 88 G HN 0.430 nan 8.290 nan 0.000 0.528 89 L N 1.285 122.564 121.223 0.094 0.000 2.439 89 L HA 0.252 4.592 4.340 -0.000 0.000 0.269 89 L C 0.170 177.064 176.870 0.040 0.000 1.179 89 L CA -0.588 54.298 54.840 0.076 0.000 0.828 89 L CB 1.141 43.260 42.059 0.101 0.000 1.106 89 L HN 0.144 nan 8.230 nan 0.000 0.467 90 V N 2.021 121.942 119.914 0.012 0.000 2.384 90 V HA 0.234 4.354 4.120 -0.000 0.000 0.287 90 V C -0.121 175.958 176.094 -0.026 0.000 1.020 90 V CA -0.707 61.578 62.300 -0.026 0.000 0.850 90 V CB 1.510 33.286 31.823 -0.079 0.000 0.987 90 V HN 0.685 nan 8.190 nan 0.000 0.436 91 N N 2.792 121.489 118.700 -0.004 0.000 2.434 91 N HA 0.300 5.040 4.740 -0.000 0.000 0.272 91 N C 0.804 176.315 175.510 0.000 0.000 1.040 91 N CA 0.075 53.139 53.050 0.024 0.000 0.956 91 N CB 1.608 40.145 38.487 0.083 0.000 1.108 91 N HN 0.770 nan 8.380 nan 0.000 0.481 92 T N -0.384 114.176 114.554 0.010 0.000 3.134 92 T HA 0.191 4.541 4.350 -0.000 0.000 0.260 92 T C -0.209 174.666 174.700 0.292 0.000 1.027 92 T CA 0.026 62.131 62.100 0.008 0.000 0.913 92 T CB -0.427 68.335 68.868 -0.177 0.000 1.046 92 T HN 0.577 nan 8.240 nan 0.000 0.553 93 H N 0.325 119.465 119.070 0.116 0.000 3.129 93 H HA 0.605 5.161 4.556 -0.000 0.000 0.342 93 H C -1.740 173.625 175.328 0.060 0.000 1.092 93 H CA -0.574 55.547 56.048 0.122 0.000 1.310 93 H CB 1.110 30.927 29.762 0.092 0.000 1.932 93 H HN 0.232 nan 8.280 nan 0.000 0.507 94 H N 2.494 121.231 119.070 -0.555 0.000 2.967 94 H HA 0.324 4.880 4.556 0.000 0.000 0.318 94 H C -1.251 173.679 175.328 -0.664 0.000 1.375 94 H CA -0.521 55.262 56.048 -0.441 0.000 1.132 94 H CB 1.515 31.210 29.762 -0.111 0.000 1.848 94 H HN 0.775 nan 8.280 nan 0.000 0.524 95 H N 3.375 122.658 119.070 0.355 0.000 2.562 95 H HA 0.171 4.727 4.556 0.000 0.000 0.230 95 H C 1.194 176.424 175.328 -0.163 0.000 1.415 95 H CA -0.138 55.911 56.048 0.001 0.000 1.454 95 H CB 0.486 30.162 29.762 -0.144 0.000 1.716 95 H HN 0.549 nan 8.280 nan 0.000 0.538 96 M N 0.113 119.610 119.600 -0.172 0.000 2.108 96 M HA -0.253 4.227 4.480 -0.000 0.000 0.257 96 M C 2.111 178.299 176.300 -0.188 0.000 1.071 96 M CA 2.101 57.188 55.300 -0.354 0.000 1.093 96 M CB -0.523 31.856 32.600 -0.369 0.000 1.345 96 M HN 0.553 nan 8.290 nan 0.000 0.403 97 Y N 0.277 120.498 120.300 -0.132 0.000 2.384 97 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 97 Y C 1.828 177.652 175.900 -0.126 0.000 1.152 97 Y CA 1.091 59.093 58.100 -0.162 0.000 1.258 97 Y CB -1.225 37.053 38.460 -0.302 0.000 0.979 97 Y HN 0.284 nan 8.280 nan 0.000 0.549 98 Q N 0.823 120.098 119.800 -0.876 0.000 2.488 98 Q HA -0.103 4.237 4.340 -0.000 0.000 0.211 98 Q C 2.238 178.223 176.000 -0.026 0.000 0.967 98 Q CA 1.020 56.553 55.803 -0.449 0.000 0.926 98 Q CB -0.151 28.345 28.738 -0.403 0.000 0.992 98 Q HN 0.771 nan 8.270 nan 0.000 0.506 99 S N -0.050 115.665 115.700 0.026 0.000 2.469 99 S HA -0.093 4.377 4.470 -0.000 0.000 0.238 99 S C 1.674 176.441 174.600 0.280 0.000 0.998 99 S CA 0.670 58.965 58.200 0.160 0.000 0.957 99 S CB -0.167 63.125 63.200 0.154 0.000 0.764 99 S HN 0.349 nan 8.310 nan 0.000 0.514 100 L N 1.617 122.933 121.223 0.155 0.000 2.418 100 L HA 0.108 4.448 4.340 -0.000 0.000 0.218 100 L C 1.059 177.977 176.870 0.080 0.000 1.125 100 L CA 1.014 55.866 54.840 0.020 0.000 0.835 100 L CB -0.221 41.796 42.059 -0.069 0.000 0.953 100 L HN 0.520 nan 8.230 nan 0.000 0.454 101 T N -2.463 112.173 114.554 0.137 0.000 3.466 101 T HA 0.411 4.761 4.350 -0.000 0.000 0.297 101 T C -0.030 174.726 174.700 0.093 0.000 1.640 101 T CA -0.712 61.454 62.100 0.110 0.000 1.631 101 T CB 0.176 69.142 68.868 0.163 0.000 0.928 101 T HN 0.033 nan 8.240 nan 0.000 0.688 102 R N 1.057 121.613 120.500 0.093 0.000 2.540 102 R HA 0.728 5.068 4.340 -0.000 0.000 0.287 102 R C 0.893 177.232 176.300 0.064 0.000 0.980 102 R CA -0.475 55.681 56.100 0.094 0.000 0.966 102 R CB 0.973 31.335 30.300 0.103 0.000 1.106 102 R HN 0.528 nan 8.270 nan 0.000 0.480 103 A N 0.968 123.829 122.820 0.069 0.000 2.799 103 A HA -0.154 4.166 4.320 -0.000 0.000 0.287 103 A C 0.325 177.921 177.584 0.019 0.000 1.484 103 A CA 0.571 52.638 52.037 0.050 0.000 0.813 103 A CB -2.034 16.994 19.000 0.047 0.000 1.009 103 A HN 0.377 nan 8.150 nan 0.000 0.545 104 V N -0.017 119.891 119.914 -0.011 0.000 2.599 104 V HA 0.049 4.169 4.120 -0.000 0.000 0.300 104 V C -0.151 175.918 176.094 -0.042 0.000 1.034 104 V CA -0.102 62.167 62.300 -0.052 0.000 1.115 104 V CB 0.804 32.551 31.823 -0.127 0.000 0.934 104 V HN 0.414 nan 8.190 nan 0.000 0.485 105 P HA -0.247 nan 4.420 nan 0.000 0.217 105 P C 1.366 178.651 177.300 -0.024 0.000 1.158 105 P CA 2.127 65.214 63.100 -0.022 0.000 0.887 105 P CB 0.165 31.851 31.700 -0.024 0.000 0.792 106 A N -1.154 121.635 122.820 -0.052 0.000 2.119 106 A HA 0.141 4.461 4.320 -0.000 0.000 0.216 106 A C 2.127 179.687 177.584 -0.040 0.000 1.152 106 A CA 1.501 53.509 52.037 -0.049 0.000 0.708 106 A CB -1.098 17.855 19.000 -0.078 0.000 0.805 106 A HN 0.217 nan 8.150 nan 0.000 0.460 107 A N -1.052 121.730 122.820 -0.063 0.000 2.095 107 A HA 0.085 4.405 4.320 -0.000 0.000 0.212 107 A C 1.900 179.571 177.584 0.145 0.000 1.162 107 A CA 0.769 52.797 52.037 -0.015 0.000 0.753 107 A CB -0.262 18.592 19.000 -0.244 0.000 0.840 107 A HN 0.543 nan 8.150 nan 0.000 0.468 108 Q N 0.405 120.253 119.800 0.080 0.000 2.077 108 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 108 Q C 0.250 176.305 176.000 0.090 0.000 0.989 108 Q CA 1.525 57.382 55.803 0.089 0.000 0.853 108 Q CB -0.099 28.669 28.738 0.050 0.000 0.907 108 Q HN 0.616 nan 8.270 nan 0.000 0.418 109 N N -1.039 117.706 118.700 0.075 0.000 2.416 109 N HA 0.304 5.044 4.740 -0.000 0.000 0.267 109 N C -1.074 174.475 175.510 0.066 0.000 1.294 109 N CA 0.080 53.165 53.050 0.058 0.000 0.891 109 N CB 1.267 39.777 38.487 0.037 0.000 1.238 109 N HN 0.056 nan 8.380 nan 0.000 0.508 110 A N 0.827 123.711 122.820 0.106 0.000 2.269 110 A HA 0.478 4.798 4.320 -0.000 0.000 0.319 110 A C 0.601 178.240 177.584 0.093 0.000 1.110 110 A CA -0.431 51.673 52.037 0.113 0.000 0.847 110 A CB 1.199 20.292 19.000 0.155 0.000 1.161 110 A HN 0.203 nan 8.150 nan 0.000 0.497 111 E N 0.625 120.873 120.200 0.080 0.000 2.280 111 E HA 0.176 4.526 4.350 -0.000 0.000 0.261 111 E C 0.614 177.226 176.600 0.020 0.000 1.088 111 E CA -0.681 55.730 56.400 0.019 0.000 0.915 111 E CB 0.664 30.386 29.700 0.036 0.000 1.141 111 E HN 0.460 nan 8.360 nan 0.000 0.433 112 L N 1.024 122.161 121.223 -0.144 0.000 2.054 112 L HA -0.253 4.087 4.340 -0.000 0.000 0.220 112 L C 2.036 178.862 176.870 -0.074 0.000 1.081 112 L CA 2.026 56.725 54.840 -0.234 0.000 0.780 112 L CB -0.864 40.898 42.059 -0.495 0.000 0.893 112 L HN 0.611 nan 8.230 nan 0.000 0.438 113 F N -0.611 119.398 119.950 0.098 0.000 2.146 113 F HA 0.012 4.539 4.527 0.000 0.000 0.298 113 F C 2.474 178.348 175.800 0.124 0.000 1.096 113 F CA 1.241 59.307 58.000 0.111 0.000 1.275 113 F CB -1.475 37.564 39.000 0.065 0.000 1.008 113 F HN 0.165 nan 8.300 nan 0.000 0.480 114 G N -1.466 107.503 108.800 0.282 0.000 2.394 114 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.215 114 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.215 114 G C 1.531 176.525 174.900 0.157 0.000 1.165 114 G CA 0.457 45.665 45.100 0.180 0.000 0.784 114 G HN 0.465 nan 8.290 nan 0.000 0.535 115 W N 1.214 122.501 121.300 -0.021 0.000 2.318 115 W HA -0.113 4.547 4.660 -0.000 0.000 0.313 115 W C 2.315 178.750 176.519 -0.140 0.000 1.221 115 W CA 1.609 58.907 57.345 -0.079 0.000 1.266 115 W CB -0.293 29.124 29.460 -0.072 0.000 1.150 115 W HN 0.139 nan 8.180 nan 0.000 0.496 116 L N -0.090 121.285 121.223 0.253 0.000 2.005 116 L HA -0.245 4.095 4.340 -0.000 0.000 0.207 116 L C 2.917 179.806 176.870 0.032 0.000 1.072 116 L CA 2.214 57.106 54.840 0.086 0.000 0.744 116 L CB -1.567 40.709 42.059 0.363 0.000 0.895 116 L HN 0.149 nan 8.230 nan 0.000 0.433 117 T N -3.005 111.642 114.554 0.156 0.000 2.720 117 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 117 T C 1.542 176.234 174.700 -0.013 0.000 1.037 117 T CA 1.949 64.130 62.100 0.135 0.000 1.144 117 T CB -0.613 68.323 68.868 0.113 0.000 0.864 117 T HN 0.303 nan 8.240 nan 0.000 0.444 118 N N 1.150 119.777 118.700 -0.120 0.000 2.135 118 N HA 0.177 4.917 4.740 -0.000 0.000 0.186 118 N C 1.912 177.184 175.510 -0.398 0.000 1.027 118 N CA 1.022 53.949 53.050 -0.205 0.000 0.849 118 N CB -0.399 37.971 38.487 -0.195 0.000 1.002 118 N HN 0.261 nan 8.380 nan 0.000 0.425 119 L N -0.451 120.342 121.223 -0.716 0.000 2.083 119 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 119 L C 1.665 177.764 176.870 -1.286 0.000 1.083 119 L CA 1.035 55.092 54.840 -1.305 0.000 0.752 119 L CB -0.399 40.394 42.059 -2.110 0.000 0.899 119 L HN 0.285 nan 8.230 nan 0.000 0.433 120 Y N 0.586 120.487 120.300 -0.665 0.000 2.274 120 Y HA -0.230 4.320 4.550 -0.000 0.000 0.290 120 Y C 2.496 178.298 175.900 -0.163 0.000 1.145 120 Y CA 1.088 59.051 58.100 -0.229 0.000 1.203 120 Y CB -0.399 38.041 38.460 -0.034 0.000 0.984 120 Y HN 0.103 nan 8.280 nan 0.000 0.533 121 K N -0.341 120.035 120.400 -0.041 0.000 2.209 121 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 121 K C 1.806 178.419 176.600 0.022 0.000 1.048 121 K CA 1.557 57.836 56.287 -0.014 0.000 0.940 121 K CB -0.202 32.277 32.500 -0.036 0.000 0.729 121 K HN 0.337 nan 8.250 nan 0.000 0.451 122 I N -0.751 119.755 120.570 -0.106 0.000 2.385 122 I HA -0.154 4.016 4.170 -0.000 0.000 0.244 122 I C 1.809 178.003 176.117 0.129 0.000 1.089 122 I CA 0.531 61.813 61.300 -0.031 0.000 1.410 122 I CB -0.300 37.562 38.000 -0.231 0.000 1.117 122 I HN 0.203 nan 8.210 nan 0.000 0.429 123 W N 1.499 122.814 121.300 0.025 0.000 2.387 123 W HA -0.097 4.563 4.660 0.001 0.000 0.272 123 W C 2.580 179.077 176.519 -0.035 0.000 1.224 123 W CA 0.913 58.258 57.345 0.000 0.000 1.210 123 W CB -1.175 28.277 29.460 -0.014 0.000 1.125 123 W HN 0.162 nan 8.180 nan 0.000 0.572 124 A N -0.748 122.160 122.820 0.147 0.000 2.216 124 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 124 A C 1.422 178.882 177.584 -0.207 0.000 1.160 124 A CA 1.073 53.074 52.037 -0.059 0.000 0.725 124 A CB -0.839 18.061 19.000 -0.166 0.000 0.784 124 A HN 0.336 nan 8.150 nan 0.000 0.472 125 H N -1.326 117.779 119.070 0.058 0.000 2.594 125 H HA 0.217 4.772 4.556 -0.000 0.000 0.279 125 H C -0.290 175.052 175.328 0.025 0.000 1.042 125 H CA -0.514 55.551 56.048 0.029 0.000 1.177 125 H CB 0.138 29.909 29.762 0.014 0.000 1.524 125 H HN 0.218 nan 8.280 nan 0.000 0.537 126 L N 2.539 123.825 121.223 0.105 0.000 2.483 126 L HA 0.014 4.354 4.340 -0.000 0.000 0.276 126 L C 1.230 178.113 176.870 0.022 0.000 1.213 126 L CA 0.688 55.555 54.840 0.046 0.000 0.843 126 L CB 0.671 42.706 42.059 -0.040 0.000 1.107 126 L HN 0.271 nan 8.230 nan 0.000 0.487 127 T N 0.321 114.885 114.554 0.017 0.000 2.916 127 T HA 0.526 4.876 4.350 -0.000 0.000 0.292 127 T C -2.124 172.581 174.700 0.010 0.000 1.064 127 T CA -1.801 60.309 62.100 0.018 0.000 1.011 127 T CB 1.814 70.697 68.868 0.025 0.000 1.152 127 T HN 0.316 nan 8.240 nan 0.000 0.510 128 P HA -0.131 nan 4.420 nan 0.000 0.216 128 P C 1.413 178.724 177.300 0.018 0.000 1.153 128 P CA 1.235 64.349 63.100 0.024 0.000 0.858 128 P CB 0.151 31.869 31.700 0.029 0.000 0.789 129 E N -0.717 119.492 120.200 0.015 0.000 2.077 129 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 129 E C 1.897 178.501 176.600 0.008 0.000 0.989 129 E CA 1.250 57.658 56.400 0.012 0.000 0.800 129 E CB -0.479 29.227 29.700 0.012 0.000 0.746 129 E HN 0.123 nan 8.360 nan 0.000 0.452 130 M N 0.374 119.975 119.600 0.002 0.000 2.149 130 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 130 M C 2.153 178.454 176.300 0.002 0.000 1.064 130 M CA 0.996 56.291 55.300 -0.009 0.000 1.102 130 M CB -0.175 32.420 32.600 -0.008 0.000 1.369 130 M HN 0.245 nan 8.290 nan 0.000 0.408 131 I N 0.171 120.741 120.570 0.001 0.000 2.286 131 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 131 I C 2.349 178.471 176.117 0.009 0.000 1.115 131 I CA 1.560 62.862 61.300 0.003 0.000 1.392 131 I CB -1.384 36.613 38.000 -0.004 0.000 1.065 131 I HN 0.450 nan 8.210 nan 0.000 0.418 132 E N 1.086 121.291 120.200 0.009 0.000 2.028 132 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 132 E C 2.353 178.956 176.600 0.005 0.000 0.988 132 E CA 1.410 57.810 56.400 0.001 0.000 0.799 132 E CB 0.202 29.905 29.700 0.004 0.000 0.755 132 E HN 0.213 nan 8.360 nan 0.000 0.447 133 V N 1.561 121.492 119.914 0.027 0.000 2.295 133 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 133 V C 2.663 178.840 176.094 0.139 0.000 1.049 133 V CA 2.036 64.378 62.300 0.070 0.000 1.024 133 V CB -0.690 31.179 31.823 0.076 0.000 0.648 133 V HN 0.432 nan 8.190 nan 0.000 0.447 134 S N -0.397 115.381 115.700 0.131 0.000 2.382 134 S HA -0.227 4.243 4.470 -0.000 0.000 0.228 134 S C 1.916 176.543 174.600 0.044 0.000 1.027 134 S CA 1.888 60.204 58.200 0.193 0.000 0.991 134 S CB -0.884 62.392 63.200 0.127 0.000 0.823 134 S HN 0.592 nan 8.310 nan 0.000 0.469 135 T N 3.283 117.824 114.554 -0.022 0.000 2.708 135 T HA 0.079 4.429 4.350 -0.000 0.000 0.266 135 T C 1.754 176.370 174.700 -0.140 0.000 1.037 135 T CA 1.493 63.520 62.100 -0.121 0.000 1.146 135 T CB -0.588 68.191 68.868 -0.148 0.000 0.865 135 T HN 0.312 nan 8.240 nan 0.000 0.435 136 L N 0.677 121.847 121.223 -0.088 0.000 2.012 136 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 136 L C 2.962 179.773 176.870 -0.098 0.000 1.073 136 L CA 1.306 56.092 54.840 -0.090 0.000 0.748 136 L CB -1.179 40.849 42.059 -0.051 0.000 0.891 136 L HN 0.285 nan 8.230 nan 0.000 0.431 137 T N -0.135 114.362 114.554 -0.094 0.000 2.708 137 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 137 T C 2.019 176.627 174.700 -0.154 0.000 1.037 137 T CA 1.375 63.364 62.100 -0.185 0.000 1.146 137 T CB -0.264 68.333 68.868 -0.451 0.000 0.865 137 T HN 0.445 nan 8.240 nan 0.000 0.435 138 A N 1.460 124.203 122.820 -0.128 0.000 1.877 138 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 138 A C 2.359 179.883 177.584 -0.100 0.000 1.186 138 A CA 1.583 53.553 52.037 -0.110 0.000 0.620 138 A CB -0.709 18.157 19.000 -0.223 0.000 0.822 138 A HN 0.458 nan 8.150 nan 0.000 0.443 139 M N -0.614 118.900 119.600 -0.144 0.000 2.159 139 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 139 M C 2.512 178.761 176.300 -0.084 0.000 1.063 139 M CA 1.315 56.539 55.300 -0.127 0.000 1.110 139 M CB -0.448 32.042 32.600 -0.183 0.000 1.374 139 M HN 0.505 nan 8.290 nan 0.000 0.411 140 A N 0.014 122.781 122.820 -0.088 0.000 1.902 140 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 140 A C 2.001 179.554 177.584 -0.053 0.000 1.181 140 A CA 1.801 53.794 52.037 -0.073 0.000 0.623 140 A CB -0.721 18.230 19.000 -0.081 0.000 0.818 140 A HN 0.529 nan 8.150 nan 0.000 0.443 141 E N -0.376 119.797 120.200 -0.046 0.000 2.110 141 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 141 E C 1.950 178.555 176.600 0.008 0.000 0.988 141 E CA 0.975 57.364 56.400 -0.018 0.000 0.804 141 E CB -0.154 29.542 29.700 -0.006 0.000 0.745 141 E HN 0.651 nan 8.360 nan 0.000 0.458 142 L N 0.316 121.548 121.223 0.015 0.000 2.027 142 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 142 L C 2.504 179.384 176.870 0.016 0.000 1.074 142 L CA 0.732 55.593 54.840 0.034 0.000 0.745 142 L CB -0.274 41.815 42.059 0.050 0.000 0.898 142 L HN 0.205 nan 8.230 nan 0.000 0.433 143 L N -0.760 120.455 121.223 -0.014 0.000 2.083 143 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 143 L C 2.432 179.279 176.870 -0.039 0.000 1.083 143 L CA 1.261 56.081 54.840 -0.034 0.000 0.752 143 L CB -0.440 41.585 42.059 -0.056 0.000 0.899 143 L HN 0.327 nan 8.230 nan 0.000 0.433 144 Q N -0.606 119.175 119.800 -0.032 0.000 2.515 144 Q HA -0.075 4.265 4.340 -0.000 0.000 0.212 144 Q C 1.469 177.472 176.000 0.005 0.000 0.970 144 Q CA 1.121 56.904 55.803 -0.034 0.000 0.941 144 Q CB 0.107 28.826 28.738 -0.032 0.000 0.998 144 Q HN 0.564 nan 8.270 nan 0.000 0.518 145 S N -2.650 113.074 115.700 0.040 0.000 2.650 145 S HA 0.407 4.877 4.470 -0.000 0.000 0.240 145 S C 1.059 175.772 174.600 0.189 0.000 1.007 145 S CA 0.064 58.337 58.200 0.122 0.000 0.984 145 S CB 1.173 64.436 63.200 0.105 0.000 0.910 145 S HN 0.380 nan 8.310 nan 0.000 0.509 146 G N 0.467 109.318 108.800 0.086 0.000 2.176 146 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.232 146 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.232 146 G C 0.204 175.160 174.900 0.093 0.000 0.986 146 G CA -0.273 44.892 45.100 0.108 0.000 0.643 146 G HN 0.876 nan 8.290 nan 0.000 0.522 147 C N 2.794 122.134 119.300 0.066 0.000 2.373 147 C HA 0.692 5.152 4.460 -0.000 0.000 0.354 147 C C 2.065 177.067 174.990 0.021 0.000 1.249 147 C CA 1.039 60.088 59.018 0.052 0.000 1.784 147 C CB -0.107 27.667 27.740 0.057 0.000 2.408 147 C HN 0.768 nan 8.230 nan 0.000 0.542 148 T N 1.492 116.058 114.554 0.019 0.000 2.990 148 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 148 T C 0.513 175.228 174.700 0.025 0.000 1.041 148 T CA 0.227 62.328 62.100 0.002 0.000 1.010 148 T CB 0.013 68.874 68.868 -0.011 0.000 1.003 148 T HN 0.630 nan 8.240 nan 0.000 0.499 149 T N 1.547 116.123 114.554 0.037 0.000 2.881 149 T HA 0.695 5.045 4.350 -0.000 0.000 0.290 149 T C -1.314 173.423 174.700 0.062 0.000 1.000 149 T CA -0.556 61.579 62.100 0.058 0.000 0.978 149 T CB 1.986 70.866 68.868 0.020 0.000 0.997 149 T HN 0.215 nan 8.240 nan 0.000 0.443 150 S N 1.564 117.351 115.700 0.144 0.000 2.541 150 S HA 0.757 5.227 4.470 -0.000 0.000 0.271 150 S C -0.535 174.253 174.600 0.315 0.000 1.133 150 S CA -0.651 57.654 58.200 0.175 0.000 0.876 150 S CB 1.344 64.648 63.200 0.173 0.000 1.105 150 S HN 0.872 nan 8.310 nan 0.000 0.470 151 S N 2.293 118.129 115.700 0.227 0.000 2.747 151 S HA 0.839 5.309 4.470 -0.000 0.000 0.300 151 S C -0.874 173.928 174.600 0.337 0.000 1.121 151 S CA -0.413 57.941 58.200 0.255 0.000 0.995 151 S CB 1.636 64.963 63.200 0.212 0.000 1.113 151 S HN 0.755 nan 8.310 nan 0.000 0.547 152 D N -1.769 118.815 120.400 0.306 0.000 2.610 152 D HA 0.436 5.076 4.640 -0.000 0.000 0.271 152 D C -1.875 174.609 176.300 0.307 0.000 1.174 152 D CA -0.347 53.836 54.000 0.305 0.000 0.949 152 D CB 1.724 42.777 40.800 0.422 0.000 1.430 152 D HN 0.679 nan 8.370 nan 0.000 0.467 153 H N 1.333 120.498 119.070 0.159 0.000 2.490 153 H HA 0.338 4.894 4.556 -0.000 0.000 0.230 153 H C -1.588 173.998 175.328 0.430 0.000 1.417 153 H CA -0.633 55.585 56.048 0.282 0.000 1.449 153 H CB -0.163 29.741 29.762 0.236 0.000 1.649 153 H HN 0.191 nan 8.280 nan 0.000 0.519 154 L N 4.831 126.224 121.223 0.284 0.000 2.312 154 L HA 0.201 4.541 4.340 -0.000 0.000 0.287 154 L C -0.278 176.477 176.870 -0.192 0.000 1.091 154 L CA -0.174 54.626 54.840 -0.066 0.000 0.846 154 L CB -0.416 41.559 42.059 -0.140 0.000 1.219 154 L HN 0.530 nan 8.230 nan 0.000 0.439 155 Y N 4.865 125.014 120.300 -0.252 0.000 2.485 155 Y HA 0.498 5.048 4.550 0.000 0.000 0.260 155 Y C 0.007 175.799 175.900 -0.179 0.000 1.173 155 Y CA -1.254 56.761 58.100 -0.142 0.000 1.252 155 Y CB -0.673 37.691 38.460 -0.161 0.000 1.123 155 Y HN 0.357 nan 8.280 nan 0.000 0.524 156 I N -2.203 117.909 120.570 -0.764 0.000 2.647 156 I HA 0.529 4.699 4.170 -0.000 0.000 0.295 156 I C -1.945 173.689 176.117 -0.806 0.000 1.078 156 I CA -1.388 59.593 61.300 -0.532 0.000 1.048 156 I CB 2.074 39.755 38.000 -0.531 0.000 1.239 156 I HN -0.097 nan 8.210 nan 0.000 0.421 157 Y N 4.594 124.805 120.300 -0.148 0.000 2.535 157 Y HA 0.416 4.966 4.550 -0.000 0.000 0.351 157 Y C -2.442 173.409 175.900 -0.081 0.000 1.050 157 Y CA -1.687 56.344 58.100 -0.115 0.000 1.168 157 Y CB 0.729 39.153 38.460 -0.060 0.000 1.116 157 Y HN 0.468 nan 8.280 nan 0.000 0.654 158 P HA 0.182 nan 4.420 nan 0.000 0.279 158 P C -0.528 176.778 177.300 0.009 0.000 1.252 158 P CA -0.336 62.758 63.100 -0.010 0.000 0.811 158 P CB 1.002 32.675 31.700 -0.045 0.000 1.035 159 N N 0.256 118.963 118.700 0.011 0.000 2.716 159 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 159 N C 0.916 176.443 175.510 0.027 0.000 1.033 159 N CA 1.068 54.129 53.050 0.018 0.000 0.727 159 N CB -1.791 36.708 38.487 0.021 0.000 0.950 159 N HN 0.932 nan 8.380 nan 0.000 0.541 160 G N -2.269 106.552 108.800 0.035 0.000 2.162 160 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 160 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 160 G C 0.301 175.235 174.900 0.057 0.000 0.976 160 G CA 0.318 45.441 45.100 0.039 0.000 0.655 160 G HN 0.551 nan 8.290 nan 0.000 0.533 161 S N -0.172 115.574 115.700 0.077 0.000 2.584 161 S HA 0.673 5.143 4.470 -0.000 0.000 0.270 161 S C 0.708 175.425 174.600 0.196 0.000 1.346 161 S CA 0.135 58.401 58.200 0.109 0.000 1.018 161 S CB 1.029 64.272 63.200 0.070 0.000 0.899 161 S HN 0.647 nan 8.310 nan 0.000 0.542 162 R N 0.160 120.786 120.500 0.210 0.000 2.739 162 R HA 0.328 4.668 4.340 -0.000 0.000 0.271 162 R C 0.563 177.011 176.300 0.248 0.000 1.010 162 R CA -0.860 55.345 56.100 0.175 0.000 0.897 162 R CB 0.788 31.122 30.300 0.058 0.000 1.236 162 R HN 0.429 nan 8.270 nan 0.000 0.466 163 L N 1.187 122.536 121.223 0.210 0.000 2.127 163 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 163 L C 0.670 177.602 176.870 0.103 0.000 1.089 163 L CA 1.980 56.965 54.840 0.242 0.000 0.757 163 L CB -0.176 41.973 42.059 0.151 0.000 0.899 163 L HN 0.699 nan 8.230 nan 0.000 0.434 164 D N -0.145 120.297 120.400 0.070 0.000 2.158 164 D HA -0.242 4.398 4.640 -0.000 0.000 0.197 164 D C 1.687 177.989 176.300 0.005 0.000 0.995 164 D CA 1.490 55.498 54.000 0.013 0.000 0.846 164 D CB -0.099 40.777 40.800 0.126 0.000 0.941 164 D HN 0.374 nan 8.370 nan 0.000 0.456 165 D N -0.121 120.310 120.400 0.052 0.000 2.144 165 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 165 D C 1.996 178.310 176.300 0.023 0.000 0.984 165 D CA 0.816 54.839 54.000 0.039 0.000 0.834 165 D CB -0.184 40.647 40.800 0.052 0.000 0.955 165 D HN 0.105 nan 8.370 nan 0.000 0.465 166 S N 0.358 116.092 115.700 0.056 0.000 2.371 166 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 166 S C 2.223 176.841 174.600 0.029 0.000 1.029 166 S CA 0.193 58.425 58.200 0.054 0.000 0.978 166 S CB 0.023 63.337 63.200 0.190 0.000 0.833 166 S HN 0.236 nan 8.310 nan 0.000 0.466 167 I N 1.604 122.208 120.570 0.057 0.000 2.264 167 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 167 I C 2.611 178.686 176.117 -0.071 0.000 1.111 167 I CA 1.183 62.476 61.300 -0.011 0.000 1.382 167 I CB -0.752 37.030 38.000 -0.363 0.000 1.060 167 I HN 0.365 nan 8.210 nan 0.000 0.418 168 G N 0.405 109.163 108.800 -0.069 0.000 2.402 168 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 168 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 168 G C 1.875 176.745 174.900 -0.050 0.000 1.162 168 G CA 0.762 45.838 45.100 -0.040 0.000 0.777 168 G HN 0.486 nan 8.290 nan 0.000 0.539 169 A N 1.243 124.021 122.820 -0.070 0.000 1.902 169 A HA 0.266 4.586 4.320 -0.000 0.000 0.217 169 A C 2.815 180.315 177.584 -0.139 0.000 1.181 169 A CA 2.238 54.219 52.037 -0.095 0.000 0.623 169 A CB -0.800 18.136 19.000 -0.108 0.000 0.818 169 A HN 0.769 nan 8.150 nan 0.000 0.443 170 A N -0.676 122.022 122.820 -0.203 0.000 1.933 170 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 170 A C 2.107 179.628 177.584 -0.105 0.000 1.175 170 A CA 1.684 53.573 52.037 -0.247 0.000 0.628 170 A CB -0.546 18.222 19.000 -0.387 0.000 0.814 170 A HN 0.667 nan 8.150 nan 0.000 0.444 171 Q N -1.176 118.591 119.800 -0.055 0.000 2.167 171 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 171 Q C 2.308 178.290 176.000 -0.030 0.000 0.970 171 Q CA 1.462 57.252 55.803 -0.022 0.000 0.855 171 Q CB -0.145 28.592 28.738 -0.002 0.000 0.911 171 Q HN 0.726 nan 8.270 nan 0.000 0.438 172 R N 0.710 121.185 120.500 -0.041 0.000 2.090 172 R HA -0.046 4.294 4.340 -0.000 0.000 0.228 172 R C 1.974 178.246 176.300 -0.047 0.000 1.110 172 R CA 0.922 56.999 56.100 -0.037 0.000 0.973 172 R CB -0.091 30.188 30.300 -0.035 0.000 0.869 172 R HN 0.253 nan 8.270 nan 0.000 0.440 173 I N -0.258 120.272 120.570 -0.067 0.000 2.876 173 I HA 0.075 4.245 4.170 -0.000 0.000 0.264 173 I C 0.551 176.629 176.117 -0.065 0.000 1.204 173 I CA 1.191 62.449 61.300 -0.071 0.000 1.485 173 I CB 0.328 38.271 38.000 -0.094 0.000 1.103 173 I HN 0.585 nan 8.210 nan 0.000 0.446 174 G N 1.725 110.490 108.800 -0.058 0.000 2.142 174 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.225 174 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.225 174 G C 0.217 175.092 174.900 -0.042 0.000 1.015 174 G CA 0.228 45.302 45.100 -0.045 0.000 0.716 174 G HN 0.373 nan 8.290 nan 0.000 0.508 175 M N 0.446 120.017 119.600 -0.049 0.000 2.264 175 M HA 0.600 5.080 4.480 -0.000 0.000 0.352 175 M C 0.707 177.033 176.300 0.044 0.000 1.173 175 M CA -0.976 54.309 55.300 -0.026 0.000 1.075 175 M CB 0.740 33.297 32.600 -0.072 0.000 1.621 175 M HN 0.217 nan 8.290 nan 0.000 0.457 176 R N 3.391 123.939 120.500 0.080 0.000 2.421 176 R HA 0.186 4.526 4.340 -0.000 0.000 0.305 176 R C -1.737 174.728 176.300 0.276 0.000 1.039 176 R CA 0.217 56.406 56.100 0.148 0.000 1.003 176 R CB 0.354 30.732 30.300 0.129 0.000 0.959 176 R HN 0.598 nan 8.270 nan 0.000 0.427 177 F N 3.435 123.434 119.950 0.081 0.000 2.520 177 F HA 0.314 4.841 4.527 -0.001 0.000 0.322 177 F C -1.004 174.873 175.800 0.129 0.000 1.103 177 F CA -1.314 56.749 58.000 0.104 0.000 0.926 177 F CB 1.498 40.514 39.000 0.027 0.000 1.154 177 F HN 0.548 nan 8.300 nan 0.000 0.453 178 H N 4.134 123.055 119.070 -0.249 0.000 2.697 178 H HA 0.599 5.155 4.556 0.000 0.000 0.270 178 H C -0.335 174.529 175.328 -0.772 0.000 1.188 178 H CA -0.428 55.416 56.048 -0.340 0.000 1.322 178 H CB 0.888 30.599 29.762 -0.085 0.000 1.405 178 H HN 0.693 nan 8.280 nan 0.000 0.502 179 A N 2.881 125.106 122.820 -0.992 0.000 2.404 179 A HA 0.435 4.755 4.320 -0.000 0.000 0.273 179 A C 0.052 177.501 177.584 -0.226 0.000 1.144 179 A CA -0.344 51.176 52.037 -0.861 0.000 0.806 179 A CB 0.195 18.812 19.000 -0.638 0.000 1.080 179 A HN 0.572 nan 8.150 nan 0.000 0.509 180 S N 1.945 117.626 115.700 -0.033 0.000 2.508 180 S HA 0.432 4.902 4.470 -0.000 0.000 0.284 180 S C 0.318 175.048 174.600 0.217 0.000 1.192 180 S CA -0.662 57.612 58.200 0.123 0.000 1.070 180 S CB 0.944 64.276 63.200 0.221 0.000 1.004 180 S HN 0.612 nan 8.310 nan 0.000 0.493 181 R N 2.618 123.236 120.500 0.196 0.000 2.755 181 R HA 0.322 4.662 4.340 -0.000 0.000 0.268 181 R C 0.406 176.892 176.300 0.310 0.000 1.295 181 R CA -0.403 55.835 56.100 0.230 0.000 1.379 181 R CB -0.187 30.170 30.300 0.095 0.000 1.170 181 R HN 0.840 nan 8.270 nan 0.000 0.584 182 G N 0.706 109.777 108.800 0.452 0.000 2.599 182 G HA2 0.588 4.548 3.960 -0.000 0.000 0.264 182 G HA3 0.588 4.548 3.960 -0.000 0.000 0.264 182 G C -1.019 174.133 174.900 0.421 0.000 1.200 182 G CA 0.073 45.457 45.100 0.473 0.000 0.896 182 G HN 0.639 nan 8.290 nan 0.000 0.536 183 A N -0.076 122.950 122.820 0.344 0.000 2.597 183 A HA 0.707 5.027 4.320 -0.000 0.000 0.292 183 A C -0.797 176.907 177.584 0.201 0.000 1.057 183 A CA -0.615 51.587 52.037 0.275 0.000 0.674 183 A CB 1.070 20.192 19.000 0.204 0.000 1.278 183 A HN 0.674 nan 8.150 nan 0.000 0.416 184 M N 0.873 120.578 119.600 0.176 0.000 2.550 184 M HA 0.635 5.115 4.480 -0.000 0.000 0.292 184 M C -0.386 175.968 176.300 0.091 0.000 1.221 184 M CA -0.447 54.924 55.300 0.118 0.000 0.873 184 M CB 2.645 35.320 32.600 0.125 0.000 1.727 184 M HN 0.729 nan 8.290 nan 0.000 0.459 203 P HA -0.067 nan 4.420 nan 0.000 0.220 203 P C 0.506 177.816 177.300 0.017 0.000 1.148 203 P CA 1.286 64.401 63.100 0.025 0.000 0.803 203 P CB 0.057 31.770 31.700 0.021 0.000 0.782 204 D N -0.981 119.426 120.400 0.013 0.000 2.183 204 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 204 D C 1.911 178.208 176.300 -0.006 0.000 0.969 204 D CA 0.774 54.775 54.000 0.001 0.000 0.842 204 D CB -0.217 40.582 40.800 -0.002 0.000 0.957 204 D HN 0.082 nan 8.370 nan 0.000 0.484 205 I N 1.229 121.805 120.570 0.010 0.000 2.127 205 I HA -0.246 3.924 4.170 -0.000 0.000 0.241 205 I C 2.623 178.745 176.117 0.008 0.000 1.075 205 I CA 0.953 62.261 61.300 0.014 0.000 1.334 205 I CB -1.150 36.880 38.000 0.050 0.000 1.040 205 I HN 0.054 nan 8.210 nan 0.000 0.405 206 L N -0.090 121.145 121.223 0.021 0.000 2.083 206 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 206 L C 2.851 179.722 176.870 0.003 0.000 1.083 206 L CA 1.206 56.059 54.840 0.022 0.000 0.752 206 L CB -0.523 41.557 42.059 0.035 0.000 0.899 206 L HN 0.200 nan 8.230 nan 0.000 0.433 207 R N -0.267 120.231 120.500 -0.004 0.000 2.075 207 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 207 R C 1.939 178.217 176.300 -0.037 0.000 1.126 207 R CA 1.707 57.799 56.100 -0.014 0.000 0.963 207 R CB -0.365 29.928 30.300 -0.011 0.000 0.858 207 R HN 0.289 nan 8.270 nan 0.000 0.435 208 D N -0.233 120.138 120.400 -0.049 0.000 2.097 208 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 208 D C 1.500 177.754 176.300 -0.076 0.000 0.989 208 D CA 1.557 55.513 54.000 -0.074 0.000 0.827 208 D CB 0.002 40.733 40.800 -0.115 0.000 0.966 208 D HN 0.037 nan 8.370 nan 0.000 0.456 209 T N -0.095 114.422 114.554 -0.062 0.000 2.699 209 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 209 T C 1.831 176.463 174.700 -0.113 0.000 1.036 209 T CA 1.599 63.663 62.100 -0.060 0.000 1.147 209 T CB -0.369 68.486 68.868 -0.022 0.000 0.862 209 T HN 0.303 nan 8.240 nan 0.000 0.446 210 Q N 0.727 120.458 119.800 -0.115 0.000 2.079 210 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 210 Q C 2.519 178.388 176.000 -0.217 0.000 0.974 210 Q CA 1.170 56.850 55.803 -0.206 0.000 0.840 210 Q CB -0.077 28.613 28.738 -0.080 0.000 0.898 210 Q HN 0.426 nan 8.270 nan 0.000 0.430 211 R N 0.142 120.566 120.500 -0.126 0.000 2.096 211 R HA -0.184 4.156 4.340 -0.000 0.000 0.240 211 R C 2.250 178.470 176.300 -0.133 0.000 1.139 211 R CA 1.739 57.770 56.100 -0.115 0.000 0.952 211 R CB -0.396 29.858 30.300 -0.077 0.000 0.854 211 R HN 0.349 nan 8.270 nan 0.000 0.436 212 L N 0.413 121.587 121.223 -0.082 0.000 2.046 212 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 212 L C 2.523 179.380 176.870 -0.023 0.000 1.077 212 L CA 1.217 56.066 54.840 0.016 0.000 0.747 212 L CB -0.350 41.754 42.059 0.076 0.000 0.896 212 L HN 0.274 nan 8.230 nan 0.000 0.432 213 I N -0.315 120.167 120.570 -0.147 0.000 2.142 213 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 213 I C 2.469 178.479 176.117 -0.179 0.000 1.078 213 I CA 1.432 62.611 61.300 -0.203 0.000 1.343 213 I CB -0.332 37.372 38.000 -0.494 0.000 1.046 213 I HN 0.274 nan 8.210 nan 0.000 0.405 214 E N 0.201 120.237 120.200 -0.274 0.000 2.110 214 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 214 E C 2.125 178.635 176.600 -0.150 0.000 0.988 214 E CA 1.879 58.180 56.400 -0.165 0.000 0.804 214 E CB -0.077 29.540 29.700 -0.139 0.000 0.745 214 E HN 0.513 nan 8.360 nan 0.000 0.458 215 T N -0.305 114.098 114.554 -0.252 0.000 2.809 215 T HA -0.084 4.266 4.350 -0.000 0.000 0.260 215 T C 1.192 175.592 174.700 -0.499 0.000 1.039 215 T CA 1.076 62.898 62.100 -0.464 0.000 1.141 215 T CB -0.151 68.231 68.868 -0.810 0.000 0.869 215 T HN 0.193 nan 8.240 nan 0.000 0.437 216 Y N -0.593 119.699 120.300 -0.013 0.000 2.498 216 Y HA 0.341 4.891 4.550 -0.001 0.000 0.259 216 Y C 0.979 176.875 175.900 -0.007 0.000 1.086 216 Y CA -1.133 56.963 58.100 -0.006 0.000 1.287 216 Y CB -0.444 38.016 38.460 -0.001 0.000 1.146 216 Y HN 0.223 nan 8.280 nan 0.000 0.523 217 H N 1.877 120.973 119.070 0.043 0.000 2.975 217 H HA 0.145 4.701 4.556 0.001 0.000 0.303 217 H C -0.810 174.514 175.328 -0.007 0.000 1.023 217 H CA -0.089 55.954 56.048 -0.008 0.000 1.473 217 H CB 0.214 29.953 29.762 -0.039 0.000 1.498 217 H HN -0.005 nan 8.280 nan 0.000 0.549 218 D N 3.858 123.900 120.400 -0.598 0.000 2.441 218 D HA 0.027 4.667 4.640 -0.000 0.000 0.231 218 D C 0.542 176.488 176.300 -0.589 0.000 1.073 218 D CA -0.551 53.198 54.000 -0.419 0.000 0.850 218 D CB 0.667 41.349 40.800 -0.197 0.000 1.062 218 D HN 0.889 nan 8.370 nan 0.000 0.524 219 E N 1.947 121.892 120.200 -0.424 0.000 2.481 219 E HA 0.142 4.492 4.350 -0.000 0.000 0.195 219 E C 0.991 177.518 176.600 -0.122 0.000 1.047 219 E CA -0.537 55.741 56.400 -0.204 0.000 0.867 219 E CB 0.183 29.894 29.700 0.018 0.000 0.858 219 E HN 0.324 nan 8.360 nan 0.000 0.513 220 G N 1.498 110.222 108.800 -0.125 0.000 2.594 220 G HA2 0.086 4.046 3.960 -0.000 0.000 0.243 220 G HA3 0.086 4.046 3.960 -0.000 0.000 0.243 220 G C -0.431 174.383 174.900 -0.142 0.000 1.229 220 G CA -0.638 44.402 45.100 -0.100 0.000 0.843 220 G HN 0.116 nan 8.290 nan 0.000 0.578 221 R N -0.046 120.325 120.500 -0.214 0.000 2.623 221 R HA 0.202 4.542 4.340 -0.000 0.000 0.271 221 R C -0.199 175.833 176.300 -0.446 0.000 1.043 221 R CA 0.264 56.080 56.100 -0.472 0.000 1.083 221 R CB -0.238 29.624 30.300 -0.730 0.000 0.974 221 R HN 0.679 nan 8.270 nan 0.000 0.436 222 Y N -0.955 119.339 120.300 -0.009 0.000 4.786 222 Y HA -0.262 4.288 4.550 0.000 0.000 0.243 222 Y C 0.244 176.137 175.900 -0.012 0.000 1.027 222 Y CA 0.137 58.233 58.100 -0.006 0.000 2.052 222 Y CB -2.577 35.878 38.460 -0.009 0.000 1.578 222 Y HN 0.711 nan 8.280 nan 0.000 0.655 223 A N 0.783 123.624 122.820 0.034 0.000 2.540 223 A HA 0.355 4.675 4.320 -0.000 0.000 0.239 223 A C 1.250 178.851 177.584 0.028 0.000 1.061 223 A CA 0.458 52.492 52.037 -0.005 0.000 0.758 223 A CB 0.193 19.130 19.000 -0.105 0.000 0.991 223 A HN 0.348 nan 8.150 nan 0.000 0.502 224 M N 1.457 121.074 119.600 0.029 0.000 2.441 224 M HA 0.292 4.772 4.480 -0.000 0.000 0.244 224 M C -0.043 176.290 176.300 0.055 0.000 1.122 224 M CA 0.876 56.210 55.300 0.057 0.000 1.041 224 M CB -0.678 31.954 32.600 0.053 0.000 1.438 224 M HN 0.646 nan 8.290 nan 0.000 0.484 225 L N 0.526 121.741 121.223 -0.013 0.000 2.464 225 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 225 L C -1.208 175.564 176.870 -0.164 0.000 0.965 225 L CA -0.428 54.387 54.840 -0.043 0.000 0.833 225 L CB 2.066 44.140 42.059 0.024 0.000 1.296 225 L HN 0.062 nan 8.230 nan 0.000 0.405 226 R N 3.109 123.450 120.500 -0.264 0.000 2.698 226 R HA 0.694 5.034 4.340 -0.000 0.000 0.275 226 R C -1.577 174.663 176.300 -0.099 0.000 1.001 226 R CA -0.794 55.203 56.100 -0.172 0.000 0.896 226 R CB 2.775 32.810 30.300 -0.441 0.000 1.218 226 R HN 0.337 nan 8.270 nan 0.000 0.462 227 V N 2.003 121.996 119.914 0.132 0.000 2.732 227 V HA 0.586 4.706 4.120 -0.000 0.000 0.310 227 V C -0.424 175.642 176.094 -0.046 0.000 1.053 227 V CA -0.729 61.561 62.300 -0.016 0.000 0.957 227 V CB 1.864 33.685 31.823 -0.002 0.000 1.018 227 V HN 0.540 nan 8.190 nan 0.000 0.452 228 V N 4.171 124.077 119.914 -0.014 0.000 2.760 228 V HA 0.625 4.745 4.120 -0.000 0.000 0.309 228 V C -0.694 175.409 176.094 0.015 0.000 1.077 228 V CA -0.472 61.838 62.300 0.016 0.000 0.910 228 V CB 2.333 34.227 31.823 0.119 0.000 1.008 228 V HN 0.610 nan 8.190 nan 0.000 0.424 229 V N 6.031 125.938 119.914 -0.012 0.000 2.455 229 V HA 0.710 4.830 4.120 -0.000 0.000 0.273 229 V C 0.805 176.962 176.094 0.105 0.000 1.045 229 V CA 0.595 62.917 62.300 0.037 0.000 0.976 229 V CB 0.826 32.649 31.823 -0.000 0.000 0.993 229 V HN 1.300 nan 8.190 nan 0.000 0.475 230 A N 7.681 130.606 122.820 0.175 0.000 3.266 230 A HA 0.597 4.917 4.320 -0.000 0.000 0.310 230 A C -2.603 175.152 177.584 0.284 0.000 1.066 230 A CA -1.280 50.872 52.037 0.191 0.000 0.839 230 A CB 0.606 19.647 19.000 0.068 0.000 1.192 230 A HN 0.594 nan 8.150 nan 0.000 0.496 231 P HA 0.025 nan 4.420 nan 0.000 0.268 231 P C 1.304 178.688 177.300 0.141 0.000 1.204 231 P CA -0.018 63.177 63.100 0.158 0.000 0.768 231 P CB 1.006 32.741 31.700 0.058 0.000 0.842 232 C N 2.797 122.210 119.300 0.188 0.000 2.382 232 C HA -0.146 4.314 4.460 -0.000 0.000 0.274 232 C C 1.318 176.412 174.990 0.174 0.000 1.180 232 C CA 2.156 61.283 59.018 0.181 0.000 1.799 232 C CB -1.222 26.431 27.740 -0.145 0.000 2.094 232 C HN 0.875 nan 8.230 nan 0.000 0.468 233 S N -2.716 112.960 115.700 -0.041 0.000 2.627 233 S HA 0.385 4.855 4.470 -0.000 0.000 0.268 233 S C -2.473 171.934 174.600 -0.322 0.000 1.130 233 S CA -0.156 57.924 58.200 -0.199 0.000 0.819 233 S CB 1.046 64.144 63.200 -0.171 0.000 1.100 233 S HN 0.029 nan 8.310 nan 0.000 0.465 234 P HA 0.136 nan 4.420 nan 0.000 0.233 234 P C 0.393 177.636 177.300 -0.094 0.000 1.167 234 P CA 0.750 63.634 63.100 -0.359 0.000 0.770 234 P CB -0.292 31.223 31.700 -0.308 0.000 0.837 235 F N 0.276 120.218 119.950 -0.015 0.000 2.664 235 F HA 0.185 4.713 4.527 0.000 0.000 0.303 235 F C 1.903 177.663 175.800 -0.067 0.000 1.092 235 F CA -0.218 57.736 58.000 -0.076 0.000 1.305 235 F CB -0.939 37.834 39.000 -0.378 0.000 1.054 235 F HN -0.009 nan 8.300 nan 0.000 0.565 236 S N -1.101 114.640 115.700 0.068 0.000 2.540 236 S HA 0.411 4.881 4.470 -0.000 0.000 0.222 236 S C 0.322 174.959 174.600 0.061 0.000 1.008 236 S CA 0.313 58.543 58.200 0.049 0.000 0.939 236 S CB -0.448 62.755 63.200 0.005 0.000 0.865 236 S HN 0.021 nan 8.310 nan 0.000 0.499 237 V N -0.505 119.449 119.914 0.067 0.000 3.167 237 V HA 0.869 4.989 4.120 -0.000 0.000 0.310 237 V C -0.097 176.057 176.094 0.100 0.000 1.207 237 V CA -0.607 61.737 62.300 0.072 0.000 1.059 237 V CB 1.234 33.089 31.823 0.053 0.000 1.079 237 V HN 0.373 nan 8.190 nan 0.000 0.446 238 S N 1.113 116.869 115.700 0.094 0.000 2.614 238 S HA 0.310 4.780 4.470 -0.000 0.000 0.265 238 S C 1.051 175.716 174.600 0.107 0.000 1.303 238 S CA 0.118 58.383 58.200 0.109 0.000 1.000 238 S CB 0.772 64.024 63.200 0.086 0.000 0.935 238 S HN 1.216 nan 8.310 nan 0.000 0.551 239 R N 0.176 120.752 120.500 0.128 0.000 2.235 239 R HA -0.013 4.327 4.340 -0.000 0.000 0.213 239 R C 0.344 176.678 176.300 0.057 0.000 1.059 239 R CA 1.124 57.276 56.100 0.086 0.000 0.997 239 R CB -0.576 29.791 30.300 0.113 0.000 0.884 239 R HN 0.546 nan 8.270 nan 0.000 0.462 240 D N 1.384 121.825 120.400 0.069 0.000 2.103 240 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 240 D C 1.911 178.252 176.300 0.069 0.000 0.978 240 D CA 0.688 54.725 54.000 0.062 0.000 0.829 240 D CB -0.128 40.706 40.800 0.057 0.000 0.981 240 D HN 0.100 nan 8.370 nan 0.000 0.464 241 L N 0.513 121.780 121.223 0.073 0.000 2.046 241 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 241 L C 1.914 178.854 176.870 0.116 0.000 1.077 241 L CA 1.334 56.225 54.840 0.085 0.000 0.747 241 L CB -0.566 41.540 42.059 0.079 0.000 0.896 241 L HN 0.028 nan 8.230 nan 0.000 0.432 242 M N -0.238 119.420 119.600 0.096 0.000 2.082 242 M HA -0.227 4.253 4.480 -0.000 0.000 0.258 242 M C 2.325 178.796 176.300 0.285 0.000 1.069 242 M CA 1.661 57.049 55.300 0.146 0.000 1.102 242 M CB -1.217 31.344 32.600 -0.065 0.000 1.336 242 M HN 0.315 nan 8.290 nan 0.000 0.404 243 R N 0.007 120.599 120.500 0.154 0.000 2.066 243 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 243 R C 1.804 178.167 176.300 0.104 0.000 1.131 243 R CA 1.638 57.814 56.100 0.127 0.000 0.955 243 R CB -0.526 29.816 30.300 0.069 0.000 0.851 243 R HN 0.393 nan 8.270 nan 0.000 0.432 244 D N 0.721 121.178 120.400 0.094 0.000 2.123 244 D HA -0.134 4.505 4.640 -0.000 0.000 0.196 244 D C 1.858 178.206 176.300 0.080 0.000 0.992 244 D CA 1.602 55.646 54.000 0.073 0.000 0.833 244 D CB -0.180 40.661 40.800 0.069 0.000 0.954 244 D HN 0.236 nan 8.370 nan 0.000 0.455 245 A N 0.906 123.803 122.820 0.128 0.000 1.865 245 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 245 A C 2.297 179.896 177.584 0.025 0.000 1.191 245 A CA 2.463 54.577 52.037 0.129 0.000 0.623 245 A CB -1.126 18.041 19.000 0.280 0.000 0.826 245 A HN 0.244 nan 8.150 nan 0.000 0.444 246 A N -0.711 122.111 122.820 0.004 0.000 1.883 246 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 246 A C 2.418 179.924 177.584 -0.131 0.000 1.186 246 A CA 2.177 54.087 52.037 -0.212 0.000 0.624 246 A CB -1.269 17.605 19.000 -0.210 0.000 0.822 246 A HN 1.061 nan 8.150 nan 0.000 0.444 247 V N -0.328 119.556 119.914 -0.050 0.000 2.343 247 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 247 V C 2.302 178.381 176.094 -0.024 0.000 1.051 247 V CA 2.390 64.666 62.300 -0.040 0.000 1.036 247 V CB -0.483 31.332 31.823 -0.014 0.000 0.654 247 V HN 0.533 nan 8.190 nan 0.000 0.451 248 L N 1.346 122.576 121.223 0.013 0.000 1.989 248 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 248 L C 2.559 179.483 176.870 0.090 0.000 1.071 248 L CA 2.869 57.754 54.840 0.074 0.000 0.749 248 L CB -1.422 40.688 42.059 0.085 0.000 0.890 248 L HN 0.354 nan 8.230 nan 0.000 0.431 249 A N -0.572 122.246 122.820 -0.004 0.000 1.883 249 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 249 A C 2.373 179.923 177.584 -0.056 0.000 1.186 249 A CA 1.973 53.979 52.037 -0.052 0.000 0.624 249 A CB -0.603 18.295 19.000 -0.170 0.000 0.822 249 A HN 0.456 nan 8.150 nan 0.000 0.444 250 R N -0.313 120.129 120.500 -0.096 0.000 2.193 250 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 250 R C 2.073 178.327 176.300 -0.077 0.000 1.110 250 R CA 1.315 57.358 56.100 -0.096 0.000 0.988 250 R CB -0.334 29.899 30.300 -0.111 0.000 0.871 250 R HN 0.823 nan 8.270 nan 0.000 0.458 251 E N -0.855 119.297 120.200 -0.081 0.000 2.072 251 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 251 E C 0.613 177.057 176.600 -0.260 0.000 0.982 251 E CA 1.020 57.313 56.400 -0.178 0.000 0.803 251 E CB 0.055 29.620 29.700 -0.226 0.000 0.755 251 E HN 0.432 nan 8.360 nan 0.000 0.453 252 Y N -0.598 119.658 120.300 -0.074 0.000 2.466 252 Y HA 0.256 4.806 4.550 -0.000 0.000 0.272 252 Y C 1.188 177.032 175.900 -0.092 0.000 1.169 252 Y CA 0.385 58.439 58.100 -0.076 0.000 1.285 252 Y CB 1.117 39.516 38.460 -0.101 0.000 1.078 252 Y HN 0.209 nan 8.280 nan 0.000 0.523 253 G N 1.133 109.943 108.800 0.016 0.000 2.246 253 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.273 253 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.273 253 G C -0.011 174.862 174.900 -0.046 0.000 1.055 253 G CA 0.323 45.424 45.100 0.001 0.000 0.851 253 G HN 0.371 nan 8.290 nan 0.000 0.500 254 V N -3.584 116.260 119.914 -0.118 0.000 3.177 254 V HA 0.948 5.068 4.120 -0.000 0.000 0.319 254 V C 0.761 176.791 176.094 -0.106 0.000 1.125 254 V CA -0.341 61.843 62.300 -0.194 0.000 1.029 254 V CB 1.647 33.270 31.823 -0.333 0.000 1.119 254 V HN 0.398 nan 8.190 nan 0.000 0.452 255 S N 0.675 116.351 115.700 -0.041 0.000 2.669 255 S HA 0.781 5.251 4.470 -0.000 0.000 0.270 255 S C -0.439 174.094 174.600 -0.112 0.000 1.225 255 S CA -0.511 57.686 58.200 -0.005 0.000 0.991 255 S CB 0.903 64.243 63.200 0.233 0.000 0.987 255 S HN 0.604 nan 8.310 nan 0.000 0.552 256 L N 1.511 122.591 121.223 -0.239 0.000 2.362 256 L HA 0.579 4.919 4.340 -0.000 0.000 0.271 256 L C -0.233 176.409 176.870 -0.379 0.000 1.002 256 L CA -0.469 54.077 54.840 -0.490 0.000 0.818 256 L CB 1.696 43.027 42.059 -1.213 0.000 1.298 256 L HN 0.672 nan 8.230 nan 0.000 0.420 257 H N 0.949 119.802 119.070 -0.361 0.000 3.046 257 H HA 0.565 5.121 4.556 0.000 0.000 0.363 257 H C -1.819 173.290 175.328 -0.364 0.000 1.203 257 H CA -0.197 55.420 56.048 -0.720 0.000 1.169 257 H CB 2.638 31.506 29.762 -1.490 0.000 1.851 257 H HN 0.620 nan 8.280 nan 0.000 0.546 258 T N 1.781 115.740 114.554 -0.993 0.000 2.700 258 T HA 0.206 4.556 4.350 -0.000 0.000 0.307 258 T C -1.617 172.651 174.700 -0.719 0.000 1.580 258 T CA -0.650 60.984 62.100 -0.777 0.000 0.992 258 T CB 0.871 69.424 68.868 -0.525 0.000 1.577 258 T HN 0.719 nan 8.240 nan 0.000 0.496 259 H N 0.372 119.271 119.070 -0.284 0.000 2.525 259 H HA 0.741 5.297 4.556 0.000 0.000 0.339 259 H C -0.496 174.770 175.328 -0.103 0.000 1.109 259 H CA -0.320 55.645 56.048 -0.138 0.000 1.352 259 H CB 1.195 30.959 29.762 0.005 0.000 1.461 259 H HN 0.349 nan 8.280 nan 0.000 0.533 260 L N 1.386 122.679 121.223 0.117 0.000 2.526 260 L HA 0.464 4.804 4.340 -0.000 0.000 0.263 260 L C -0.479 176.449 176.870 0.096 0.000 0.943 260 L CA -0.149 54.719 54.840 0.047 0.000 0.859 260 L CB 1.482 43.539 42.059 -0.002 0.000 1.313 260 L HN 0.871 nan 8.230 nan 0.000 0.406 261 A N 2.895 125.760 122.820 0.075 0.000 2.640 261 A HA -0.227 4.093 4.320 -0.000 0.000 0.300 261 A C 1.141 178.771 177.584 0.077 0.000 1.499 261 A CA 1.591 53.677 52.037 0.083 0.000 0.759 261 A CB -1.803 17.228 19.000 0.052 0.000 1.048 261 A HN 0.912 nan 8.150 nan 0.000 0.450 262 E N 0.333 120.568 120.200 0.059 0.000 2.285 262 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 262 E C 0.826 177.381 176.600 -0.075 0.000 0.997 262 E CA 0.665 57.055 56.400 -0.017 0.000 0.845 262 E CB -0.100 29.517 29.700 -0.138 0.000 0.782 262 E HN 0.989 nan 8.360 nan 0.000 0.491 263 N N -0.081 118.590 118.700 -0.047 0.000 3.204 263 N HA 0.044 4.784 4.740 -0.000 0.000 0.285 263 N C 1.041 176.543 175.510 -0.012 0.000 1.536 263 N CA 0.035 53.051 53.050 -0.056 0.000 0.832 263 N CB 1.695 40.113 38.487 -0.115 0.000 1.645 263 N HN -0.060 nan 8.380 nan 0.000 0.586 264 V N -1.933 117.973 119.914 -0.013 0.000 2.407 264 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 264 V C 1.652 177.763 176.094 0.028 0.000 1.055 264 V CA 1.500 63.806 62.300 0.010 0.000 1.049 264 V CB -0.924 30.904 31.823 0.008 0.000 0.662 264 V HN 0.550 nan 8.190 nan 0.000 0.455 265 N N 1.096 119.815 118.700 0.032 0.000 2.223 265 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 265 N C 1.488 177.041 175.510 0.071 0.000 1.016 265 N CA 1.864 54.956 53.050 0.070 0.000 0.863 265 N CB -0.439 38.118 38.487 0.116 0.000 0.983 265 N HN 0.584 nan 8.380 nan 0.000 0.429 266 D N 0.922 121.363 120.400 0.069 0.000 2.104 266 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 266 D C 1.933 178.315 176.300 0.137 0.000 0.994 266 D CA 0.477 54.565 54.000 0.146 0.000 0.830 266 D CB -0.293 40.615 40.800 0.181 0.000 0.959 266 D HN 0.185 nan 8.370 nan 0.000 0.452 267 I N 0.868 121.491 120.570 0.088 0.000 2.179 267 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 267 I C 1.956 178.087 176.117 0.023 0.000 1.088 267 I CA 1.338 62.675 61.300 0.060 0.000 1.357 267 I CB -0.593 37.429 38.000 0.036 0.000 1.051 267 I HN -0.033 nan 8.210 nan 0.000 0.409 268 A N -1.093 121.739 122.820 0.020 0.000 2.131 268 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 268 A C 1.259 178.814 177.584 -0.048 0.000 1.158 268 A CA 1.312 53.345 52.037 -0.008 0.000 0.665 268 A CB -0.928 18.080 19.000 0.012 0.000 0.795 268 A HN 0.576 nan 8.150 nan 0.000 0.460 278 P HA 0.059 nan 4.420 nan 0.000 0.215 278 P C 1.691 179.081 177.300 0.150 0.000 1.153 278 P CA 1.897 65.114 63.100 0.195 0.000 0.853 278 P CB -0.299 31.484 31.700 0.137 0.000 0.788 279 A N -0.102 122.756 122.820 0.063 0.000 1.897 279 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 279 A C 2.113 179.777 177.584 0.135 0.000 1.181 279 A CA 1.456 53.529 52.037 0.060 0.000 0.620 279 A CB -1.082 17.838 19.000 -0.133 0.000 0.821 279 A HN 0.163 nan 8.150 nan 0.000 0.443 280 E N -1.460 118.812 120.200 0.121 0.000 2.051 280 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 280 E C 1.897 178.609 176.600 0.187 0.000 0.991 280 E CA 1.519 58.000 56.400 0.134 0.000 0.799 280 E CB -0.369 29.399 29.700 0.114 0.000 0.748 280 E HN 0.732 nan 8.360 nan 0.000 0.449 281 Y N 1.292 121.643 120.300 0.084 0.000 2.207 281 Y HA -0.245 4.305 4.550 0.000 0.000 0.287 281 Y C 2.205 178.154 175.900 0.083 0.000 1.156 281 Y CA 1.280 59.436 58.100 0.094 0.000 1.182 281 Y CB -0.388 38.154 38.460 0.137 0.000 0.979 281 Y HN 0.004 nan 8.280 nan 0.000 0.521 282 A N -0.145 122.748 122.820 0.122 0.000 1.872 282 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 282 A C 2.251 179.930 177.584 0.158 0.000 1.187 282 A CA 1.605 53.702 52.037 0.100 0.000 0.614 282 A CB -0.887 18.204 19.000 0.152 0.000 0.826 282 A HN 0.593 nan 8.150 nan 0.000 0.442 283 E N -0.158 120.139 120.200 0.162 0.000 2.077 283 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 283 E C 1.747 178.399 176.600 0.088 0.000 0.989 283 E CA 1.372 57.856 56.400 0.140 0.000 0.800 283 E CB -0.247 29.533 29.700 0.134 0.000 0.746 283 E HN 0.603 nan 8.360 nan 0.000 0.452 284 D N 0.133 120.566 120.400 0.056 0.000 2.149 284 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 284 D C 1.679 177.975 176.300 -0.007 0.000 0.990 284 D CA 0.760 54.772 54.000 0.021 0.000 0.839 284 D CB 0.121 40.930 40.800 0.016 0.000 0.948 284 D HN 0.243 nan 8.370 nan 0.000 0.460 285 L N -0.162 121.037 121.223 -0.039 0.000 2.599 285 L HA 0.131 4.471 4.340 -0.000 0.000 0.230 285 L C 1.790 178.762 176.870 0.169 0.000 1.141 285 L CA 1.165 56.013 54.840 0.013 0.000 0.877 285 L CB -0.584 41.415 42.059 -0.099 0.000 1.009 285 L HN 0.324 nan 8.230 nan 0.000 0.447 286 G N -1.523 107.358 108.800 0.135 0.000 2.141 286 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.242 286 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.242 286 G C -0.037 174.905 174.900 0.071 0.000 0.982 286 G CA -0.153 44.995 45.100 0.080 0.000 0.662 286 G HN 0.382 nan 8.290 nan 0.000 0.527 287 W N 1.089 122.376 121.300 -0.020 0.000 1.694 287 W HA 0.552 5.213 4.660 0.000 0.000 0.425 287 W C 0.752 177.301 176.519 0.050 0.000 0.615 287 W CA 0.180 57.531 57.345 0.009 0.000 2.237 287 W CB 0.008 29.508 29.460 0.066 0.000 1.478 287 W HN 0.673 nan 8.180 nan 0.000 0.427 288 V N -0.742 119.221 119.914 0.082 0.000 3.114 288 V HA 1.053 5.173 4.120 -0.000 0.000 0.308 288 V C 0.031 176.078 176.094 -0.079 0.000 1.168 288 V CA -0.803 61.514 62.300 0.028 0.000 1.015 288 V CB 1.508 33.389 31.823 0.096 0.000 1.050 288 V HN 0.367 nan 8.190 nan 0.000 0.433 289 G N 1.785 110.527 108.800 -0.097 0.000 2.340 289 G HA2 0.204 4.164 3.960 -0.000 0.000 0.527 289 G HA3 0.204 4.164 3.960 -0.000 0.000 0.527 289 G C -0.230 174.574 174.900 -0.161 0.000 1.381 289 G CA 0.385 45.394 45.100 -0.153 0.000 1.001 289 G HN 2.418 nan 8.290 nan 0.000 0.626 290 H N -0.958 118.090 119.070 -0.037 0.000 2.489 290 H HA 0.050 4.606 4.556 -0.000 0.000 0.293 290 H C 1.424 176.733 175.328 -0.031 0.000 1.066 290 H CA 1.874 57.904 56.048 -0.031 0.000 1.305 290 H CB 0.123 29.869 29.762 -0.027 0.000 1.386 290 H HN 0.470 nan 8.280 nan 0.000 0.551 291 D N 0.794 120.957 120.400 -0.395 0.000 2.370 291 D HA 0.121 4.761 4.640 -0.000 0.000 0.230 291 D C -0.219 175.997 176.300 -0.140 0.000 1.143 291 D CA -0.251 53.636 54.000 -0.188 0.000 0.834 291 D CB -0.273 40.349 40.800 -0.297 0.000 0.944 291 D HN 0.299 nan 8.370 nan 0.000 0.504 292 V N 0.410 120.261 119.914 -0.104 0.000 2.925 292 V HA 0.730 4.850 4.120 -0.000 0.000 0.311 292 V C -1.342 174.774 176.094 0.038 0.000 1.104 292 V CA -1.183 61.036 62.300 -0.134 0.000 0.954 292 V CB 2.106 33.773 31.823 -0.260 0.000 1.022 292 V HN 0.376 nan 8.190 nan 0.000 0.427 293 W N 2.827 123.940 121.300 -0.311 0.000 3.624 293 W HA 0.774 5.434 4.660 -0.000 0.000 0.312 293 W C -1.815 174.574 176.519 -0.217 0.000 1.203 293 W CA -0.556 56.658 57.345 -0.218 0.000 1.225 293 W CB 0.678 30.070 29.460 -0.114 0.000 1.321 293 W HN 0.611 nan 8.180 nan 0.000 0.506 294 H N 3.044 122.150 119.070 0.060 0.000 2.469 294 H HA 0.750 5.307 4.556 0.000 0.000 0.342 294 H C 0.205 175.514 175.328 -0.032 0.000 1.115 294 H CA -0.362 55.637 56.048 -0.082 0.000 1.204 294 H CB 1.950 31.735 29.762 0.038 0.000 1.492 294 H HN 0.712 nan 8.280 nan 0.000 0.499 295 A N 2.573 125.269 122.820 -0.208 0.000 2.354 295 A HA 0.415 4.735 4.320 -0.000 0.000 0.269 295 A C 0.037 177.534 177.584 -0.145 0.000 1.109 295 A CA -0.017 51.797 52.037 -0.373 0.000 0.800 295 A CB -0.014 18.233 19.000 -1.255 0.000 1.045 295 A HN 1.026 nan 8.150 nan 0.000 0.489 296 H N 0.104 119.222 119.070 0.079 0.000 4.606 296 H HA -0.232 4.324 4.556 0.000 0.000 0.074 296 H C 1.204 176.626 175.328 0.158 0.000 0.615 296 H CA 0.929 57.051 56.048 0.123 0.000 1.004 296 H CB -1.906 27.912 29.762 0.094 0.000 0.715 296 H HN 1.467 nan 8.280 nan 0.000 0.824 297 C N 0.591 120.061 119.300 0.283 0.000 4.274 297 C HA -0.137 4.323 4.460 -0.000 0.000 0.297 297 C C 2.402 177.481 174.990 0.149 0.000 1.446 297 C CA 0.834 59.968 59.018 0.193 0.000 2.016 297 C CB -2.747 25.130 27.740 0.229 0.000 1.273 297 C HN 0.647 nan 8.230 nan 0.000 0.782 298 V N -0.068 119.939 119.914 0.156 0.000 2.490 298 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 298 V C 1.978 178.117 176.094 0.074 0.000 1.061 298 V CA 2.769 65.142 62.300 0.122 0.000 1.064 298 V CB -0.058 31.824 31.823 0.098 0.000 0.670 298 V HN 0.699 nan 8.190 nan 0.000 0.461 299 Q N -0.190 119.643 119.800 0.055 0.000 2.222 299 Q HA 0.308 4.648 4.340 -0.000 0.000 0.206 299 Q C 0.031 176.035 176.000 0.008 0.000 0.877 299 Q CA -0.165 55.657 55.803 0.032 0.000 0.958 299 Q CB 0.066 28.821 28.738 0.029 0.000 1.075 299 Q HN 0.585 nan 8.270 nan 0.000 0.483 300 L N 2.342 123.560 121.223 -0.008 0.000 2.462 300 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 300 L C 0.095 176.916 176.870 -0.082 0.000 1.166 300 L CA 0.014 54.805 54.840 -0.082 0.000 0.880 300 L CB 0.273 42.246 42.059 -0.142 0.000 1.142 300 L HN 0.234 nan 8.230 nan 0.000 0.473 301 D N 2.249 122.594 120.400 -0.091 0.000 2.377 301 D HA -0.011 4.629 4.640 -0.000 0.000 0.245 301 D C 0.303 176.549 176.300 -0.089 0.000 1.196 301 D CA -0.330 53.629 54.000 -0.067 0.000 0.962 301 D CB 0.642 41.414 40.800 -0.047 0.000 1.127 301 D HN 0.543 nan 8.370 nan 0.000 0.471 302 D N 0.145 120.509 120.400 -0.060 0.000 2.158 302 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 302 D C 1.875 178.135 176.300 -0.066 0.000 0.995 302 D CA 2.247 56.212 54.000 -0.059 0.000 0.846 302 D CB -0.338 40.439 40.800 -0.037 0.000 0.941 302 D HN 0.560 nan 8.370 nan 0.000 0.456 303 A N 0.317 123.100 122.820 -0.062 0.000 1.898 303 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 303 A C 2.385 179.910 177.584 -0.099 0.000 1.181 303 A CA 1.841 53.845 52.037 -0.054 0.000 0.620 303 A CB -1.103 17.877 19.000 -0.034 0.000 0.819 303 A HN 0.299 nan 8.150 nan 0.000 0.442 304 G N 0.176 108.871 108.800 -0.175 0.000 2.440 304 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 304 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 304 G C 1.538 176.154 174.900 -0.473 0.000 1.154 304 G CA 1.176 46.051 45.100 -0.375 0.000 0.767 304 G HN 0.468 nan 8.290 nan 0.000 0.552 305 I N 1.198 121.590 120.570 -0.296 0.000 2.127 305 I HA -0.137 4.033 4.170 -0.000 0.000 0.241 305 I C 3.133 179.227 176.117 -0.039 0.000 1.075 305 I CA 1.168 62.369 61.300 -0.165 0.000 1.334 305 I CB -0.616 37.326 38.000 -0.096 0.000 1.040 305 I HN 0.265 nan 8.210 nan 0.000 0.405 306 G N 1.085 109.866 108.800 -0.032 0.000 2.440 306 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 306 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 306 G C 1.643 176.580 174.900 0.063 0.000 1.154 306 G CA 0.940 46.050 45.100 0.016 0.000 0.767 306 G HN 0.284 nan 8.290 nan 0.000 0.552 307 L N -0.079 121.180 121.223 0.061 0.000 1.970 307 L HA 0.055 4.395 4.340 -0.000 0.000 0.212 307 L C 2.664 179.717 176.870 0.304 0.000 1.071 307 L CA 1.760 56.690 54.840 0.149 0.000 0.751 307 L CB -0.844 41.300 42.059 0.141 0.000 0.889 307 L HN 0.305 nan 8.230 nan 0.000 0.432 308 F N -0.295 119.689 119.950 0.056 0.000 2.091 308 F HA -0.321 4.206 4.527 0.000 0.000 0.299 308 F C 2.528 178.369 175.800 0.068 0.000 1.103 308 F CA 0.617 58.664 58.000 0.079 0.000 1.228 308 F CB -0.619 38.434 39.000 0.089 0.000 0.984 308 F HN 0.343 nan 8.300 nan 0.000 0.477 309 A N 1.404 124.377 122.820 0.255 0.000 1.865 309 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 309 A C 2.105 179.757 177.584 0.112 0.000 1.191 309 A CA 2.213 54.338 52.037 0.146 0.000 0.623 309 A CB -0.917 18.141 19.000 0.097 0.000 0.826 309 A HN 0.514 nan 8.150 nan 0.000 0.444 310 R N -0.432 120.132 120.500 0.107 0.000 2.148 310 R HA -0.061 4.279 4.340 -0.000 0.000 0.227 310 R C 1.636 177.987 176.300 0.084 0.000 1.103 310 R CA 1.786 57.935 56.100 0.082 0.000 0.983 310 R CB -1.069 29.274 30.300 0.071 0.000 0.874 310 R HN 0.537 nan 8.270 nan 0.000 0.451 311 T N -3.602 111.015 114.554 0.105 0.000 3.060 311 T HA 0.283 4.633 4.350 -0.000 0.000 0.249 311 T C 1.375 176.121 174.700 0.077 0.000 1.079 311 T CA 0.148 62.300 62.100 0.086 0.000 1.013 311 T CB 0.650 69.571 68.868 0.088 0.000 0.975 311 T HN 0.468 nan 8.240 nan 0.000 0.518 312 G N 1.519 110.370 108.800 0.085 0.000 2.143 312 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 312 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 312 G C 0.105 175.031 174.900 0.044 0.000 0.991 312 G CA 0.155 45.300 45.100 0.076 0.000 0.689 312 G HN 0.676 nan 8.290 nan 0.000 0.522 313 T N 1.047 115.600 114.554 -0.003 0.000 2.870 313 T HA 0.513 4.863 4.350 -0.000 0.000 0.300 313 T C 1.079 175.726 174.700 -0.088 0.000 0.989 313 T CA 0.524 62.532 62.100 -0.154 0.000 1.139 313 T CB 1.576 70.140 68.868 -0.507 0.000 0.920 313 T HN 0.986 nan 8.240 nan 0.000 0.537 314 G N 1.149 109.944 108.800 -0.008 0.000 2.477 314 G HA2 0.613 4.573 3.960 -0.000 0.000 0.304 314 G HA3 0.613 4.573 3.960 -0.000 0.000 0.304 314 G C -0.537 174.498 174.900 0.226 0.000 1.175 314 G CA -0.752 44.417 45.100 0.114 0.000 0.907 314 G HN 0.852 nan 8.290 nan 0.000 0.509 315 V N -2.155 117.916 119.914 0.262 0.000 2.686 315 V HA 0.822 4.942 4.120 -0.000 0.000 0.306 315 V C -0.025 176.244 176.094 0.292 0.000 1.065 315 V CA -1.143 61.352 62.300 0.324 0.000 0.894 315 V CB 1.346 33.361 31.823 0.319 0.000 1.004 315 V HN 1.284 nan 8.190 nan 0.000 0.424 316 A N 3.397 126.414 122.820 0.328 0.000 2.294 316 A HA 0.500 4.820 4.320 -0.000 0.000 0.316 316 A C -0.063 177.641 177.584 0.199 0.000 1.359 316 A CA -0.422 51.769 52.037 0.257 0.000 0.956 316 A CB -0.261 18.936 19.000 0.328 0.000 1.155 316 A HN 1.130 nan 8.150 nan 0.000 0.544 317 H N 1.964 121.098 119.070 0.106 0.000 2.690 317 H HA 0.290 4.846 4.556 -0.000 0.000 0.314 317 H C -0.975 174.416 175.328 0.106 0.000 1.069 317 H CA -0.151 55.963 56.048 0.109 0.000 1.436 317 H CB 0.746 30.567 29.762 0.097 0.000 1.462 317 H HN 0.602 nan 8.280 nan 0.000 0.511 318 C N 9.385 128.534 119.300 -0.251 0.000 2.816 318 C HA 0.179 4.639 4.460 -0.000 0.000 0.255 318 C C -1.069 173.740 174.990 -0.302 0.000 1.141 318 C CA -1.207 57.700 59.018 -0.184 0.000 1.554 318 C CB 0.491 28.283 27.740 0.086 0.000 1.778 318 C HN 0.757 nan 8.230 nan 0.000 0.429 319 P HA -0.129 nan 4.420 nan 0.000 0.213 319 P C 1.459 178.706 177.300 -0.089 0.000 1.170 319 P CA 1.748 64.684 63.100 -0.273 0.000 0.898 319 P CB 0.156 31.760 31.700 -0.159 0.000 0.787 320 C N -0.068 119.192 119.300 -0.068 0.000 2.393 320 C HA -0.127 4.333 4.460 -0.000 0.000 0.276 320 C C 3.309 178.286 174.990 -0.023 0.000 1.215 320 C CA 1.869 60.869 59.018 -0.031 0.000 1.743 320 C CB -1.979 25.747 27.740 -0.022 0.000 2.044 320 C HN 0.368 nan 8.230 nan 0.000 0.464 321 S N 1.111 116.805 115.700 -0.009 0.000 2.359 321 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 321 S C 1.684 176.253 174.600 -0.052 0.000 1.035 321 S CA 1.894 60.094 58.200 -0.001 0.000 1.018 321 S CB -0.504 62.754 63.200 0.098 0.000 0.876 321 S HN 0.621 nan 8.310 nan 0.000 0.448 322 N N 0.830 119.512 118.700 -0.029 0.000 2.272 322 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 322 N C 1.601 177.079 175.510 -0.054 0.000 1.014 322 N CA 1.331 54.352 53.050 -0.049 0.000 0.870 322 N CB -0.357 38.143 38.487 0.022 0.000 0.975 322 N HN 0.550 nan 8.380 nan 0.000 0.433 323 M N -0.452 119.123 119.600 -0.041 0.000 2.276 323 M HA 0.068 4.548 4.480 -0.000 0.000 0.262 323 M C 2.165 178.437 176.300 -0.047 0.000 1.098 323 M CA 0.598 55.877 55.300 -0.036 0.000 1.167 323 M CB -0.077 32.511 32.600 -0.020 0.000 1.337 323 M HN -0.047 nan 8.290 nan 0.000 0.446 324 R N 0.740 121.213 120.500 -0.045 0.000 2.120 324 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 324 R C 1.420 177.670 176.300 -0.083 0.000 1.123 324 R CA 1.316 57.391 56.100 -0.041 0.000 0.975 324 R CB -0.062 30.228 30.300 -0.017 0.000 0.866 324 R HN 0.260 nan 8.270 nan 0.000 0.446 325 L N 0.174 121.310 121.223 -0.143 0.000 2.640 325 L HA 0.323 4.663 4.340 -0.000 0.000 0.230 325 L C 0.573 177.337 176.870 -0.176 0.000 1.123 325 L CA 0.944 55.646 54.840 -0.230 0.000 0.900 325 L CB 0.182 42.010 42.059 -0.384 0.000 1.146 325 L HN 0.292 nan 8.230 nan 0.000 0.484 326 A N -1.343 121.406 122.820 -0.118 0.000 2.832 326 A HA -0.287 4.033 4.320 -0.000 0.000 0.280 326 A C 1.964 179.490 177.584 -0.097 0.000 1.464 326 A CA 0.958 52.942 52.037 -0.088 0.000 0.804 326 A CB -2.250 16.708 19.000 -0.070 0.000 1.020 326 A HN 0.392 nan 8.150 nan 0.000 0.563 327 S N -1.172 114.454 115.700 -0.123 0.000 2.399 327 S HA 0.359 4.829 4.470 -0.000 0.000 0.231 327 S C 1.564 176.128 174.600 -0.060 0.000 1.022 327 S CA 1.713 59.841 58.200 -0.121 0.000 0.983 327 S CB -0.166 62.929 63.200 -0.174 0.000 0.803 327 S HN 2.588 nan 8.310 nan 0.000 0.480 328 G N 0.335 109.114 108.800 -0.036 0.000 2.353 328 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.615 328 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.615 328 G C -1.195 173.726 174.900 0.034 0.000 1.280 328 G CA -0.983 44.113 45.100 -0.007 0.000 1.000 328 G HN 0.210 nan 8.290 nan 0.000 0.516 329 I N 1.743 122.337 120.570 0.039 0.000 2.297 329 I HA 0.533 4.703 4.170 -0.000 0.000 0.291 329 I C 1.073 177.284 176.117 0.156 0.000 1.033 329 I CA -0.370 60.982 61.300 0.086 0.000 1.253 329 I CB 1.295 39.284 38.000 -0.019 0.000 1.396 329 I HN 0.885 nan 8.210 nan 0.000 0.476 330 A N 9.495 132.437 122.820 0.203 0.000 2.425 330 A HA 0.382 4.702 4.320 -0.000 0.000 0.249 330 A C -2.046 175.629 177.584 0.151 0.000 1.084 330 A CA -1.195 50.939 52.037 0.162 0.000 0.781 330 A CB -0.244 18.866 19.000 0.182 0.000 1.019 330 A HN 0.539 nan 8.150 nan 0.000 0.490 331 P HA 0.113 nan 4.420 nan 0.000 0.230 331 P C 0.641 177.864 177.300 -0.130 0.000 1.791 331 P CA -0.016 63.077 63.100 -0.011 0.000 1.020 331 P CB 0.162 31.834 31.700 -0.047 0.000 1.977 332 V N 1.920 121.755 119.914 -0.132 0.000 2.427 332 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 332 V C 2.730 178.732 176.094 -0.154 0.000 1.051 332 V CA 1.672 63.870 62.300 -0.170 0.000 1.048 332 V CB -0.923 30.731 31.823 -0.281 0.000 0.666 332 V HN 0.355 nan 8.190 nan 0.000 0.456 333 K N 0.654 120.928 120.400 -0.211 0.000 2.057 333 K HA -0.257 4.063 4.320 -0.000 0.000 0.207 333 K C 2.320 178.791 176.600 -0.214 0.000 1.049 333 K CA 1.908 58.068 56.287 -0.211 0.000 0.931 333 K CB -0.145 32.173 32.500 -0.302 0.000 0.714 333 K HN 0.396 nan 8.250 nan 0.000 0.440 334 K N 0.398 120.623 120.400 -0.292 0.000 2.057 334 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 334 K C 2.194 178.725 176.600 -0.116 0.000 1.050 334 K CA 1.387 57.551 56.287 -0.206 0.000 0.935 334 K CB -0.049 32.313 32.500 -0.230 0.000 0.715 334 K HN 0.149 nan 8.250 nan 0.000 0.439 335 M N 0.464 120.005 119.600 -0.098 0.000 2.080 335 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 335 M C 2.208 178.497 176.300 -0.019 0.000 1.068 335 M CA 1.750 57.028 55.300 -0.037 0.000 1.109 335 M CB -0.294 32.299 32.600 -0.012 0.000 1.342 335 M HN 0.115 nan 8.290 nan 0.000 0.405 336 R N -0.034 120.445 120.500 -0.035 0.000 2.075 336 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 336 R C 2.097 178.385 176.300 -0.020 0.000 1.126 336 R CA 1.028 57.117 56.100 -0.019 0.000 0.963 336 R CB -0.662 29.624 30.300 -0.025 0.000 0.858 336 R HN 0.247 nan 8.270 nan 0.000 0.435 337 L N 0.908 122.108 121.223 -0.039 0.000 2.131 337 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 337 L C 2.308 179.165 176.870 -0.021 0.000 1.092 337 L CA 1.677 56.497 54.840 -0.034 0.000 0.759 337 L CB -0.891 41.135 42.059 -0.054 0.000 0.903 337 L HN 0.174 nan 8.230 nan 0.000 0.435 338 A N -1.582 121.226 122.820 -0.020 0.000 2.167 338 A HA 0.340 4.660 4.320 -0.000 0.000 0.214 338 A C 1.742 179.335 177.584 0.016 0.000 1.151 338 A CA 0.888 52.923 52.037 -0.004 0.000 0.735 338 A CB -0.552 18.445 19.000 -0.006 0.000 0.802 338 A HN 0.589 nan 8.150 nan 0.000 0.467 339 G N -1.063 107.747 108.800 0.017 0.000 2.131 339 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.223 339 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.223 339 G C 0.352 175.282 174.900 0.051 0.000 0.990 339 G CA 0.403 45.520 45.100 0.029 0.000 0.671 339 G HN 1.768 nan 8.290 nan 0.000 0.521 340 V N -0.939 119.015 119.914 0.067 0.000 2.530 340 V HA 0.728 4.848 4.120 -0.000 0.000 0.282 340 V C -1.489 174.656 176.094 0.084 0.000 1.048 340 V CA -1.940 60.425 62.300 0.109 0.000 0.997 340 V CB 1.220 33.145 31.823 0.170 0.000 0.987 340 V HN 0.196 nan 8.190 nan 0.000 0.477 341 P HA 0.258 nan 4.420 nan 0.000 0.271 341 P C -0.624 176.712 177.300 0.061 0.000 1.233 341 P CA 0.080 63.209 63.100 0.047 0.000 0.764 341 P CB 1.210 32.927 31.700 0.028 0.000 0.825 342 V N 3.717 123.658 119.914 0.045 0.000 2.555 342 V HA 0.753 4.873 4.120 -0.000 0.000 0.302 342 V C 0.825 176.940 176.094 0.034 0.000 1.038 342 V CA -0.311 62.026 62.300 0.062 0.000 0.887 342 V CB 1.957 33.814 31.823 0.058 0.000 0.991 342 V HN 0.783 nan 8.190 nan 0.000 0.434 343 G N 2.774 111.600 108.800 0.044 0.000 2.714 343 G HA2 0.749 4.709 3.960 -0.000 0.000 0.292 343 G HA3 0.749 4.709 3.960 -0.000 0.000 0.292 343 G C -1.521 173.421 174.900 0.070 0.000 1.308 343 G CA -0.763 44.339 45.100 0.004 0.000 0.964 343 G HN 0.568 nan 8.290 nan 0.000 0.484 344 L N -0.106 121.142 121.223 0.043 0.000 2.331 344 L HA 0.767 5.107 4.340 -0.000 0.000 0.275 344 L C 0.334 177.235 176.870 0.051 0.000 1.022 344 L CA -0.741 54.137 54.840 0.064 0.000 0.812 344 L CB 2.086 44.174 42.059 0.048 0.000 1.257 344 L HN 0.724 nan 8.230 nan 0.000 0.435 345 G N 1.029 109.858 108.800 0.049 0.000 2.701 345 G HA2 0.396 4.356 3.960 -0.000 0.000 0.300 345 G HA3 0.396 4.356 3.960 -0.000 0.000 0.300 345 G C -0.144 174.754 174.900 -0.004 0.000 1.410 345 G CA -0.334 44.803 45.100 0.063 0.000 1.014 345 G HN 0.421 nan 8.290 nan 0.000 0.509 346 V N 1.279 121.148 119.914 -0.074 0.000 2.788 346 V HA 0.149 4.269 4.120 -0.000 0.000 0.251 346 V C 1.049 177.040 176.094 -0.173 0.000 1.068 346 V CA 2.105 64.322 62.300 -0.140 0.000 1.090 346 V CB -0.922 30.782 31.823 -0.200 0.000 0.710 346 V HN 1.016 nan 8.190 nan 0.000 0.467 347 D N -1.283 118.986 120.400 -0.218 0.000 9.948 347 D HA -0.092 4.548 4.640 -0.000 0.000 0.354 347 D C 0.249 176.394 176.300 -0.258 0.000 2.964 347 D CA 1.154 55.072 54.000 -0.136 0.000 2.324 347 D CB -0.973 39.929 40.800 0.171 0.000 1.175 347 D HN 0.638 nan 8.370 nan 0.000 1.063 348 G N -0.229 108.619 108.800 0.081 0.000 2.432 348 G HA2 0.341 4.301 3.960 -0.000 0.000 0.239 348 G HA3 0.341 4.301 3.960 -0.000 0.000 0.239 348 G C 0.981 175.982 174.900 0.168 0.000 1.291 348 G CA 0.441 45.678 45.100 0.229 0.000 0.863 348 G HN 0.367 nan 8.290 nan 0.000 0.560 349 S N 1.486 117.286 115.700 0.166 0.000 2.547 349 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 349 S C 2.318 177.033 174.600 0.192 0.000 0.980 349 S CA 0.723 59.015 58.200 0.152 0.000 0.941 349 S CB 0.116 63.409 63.200 0.154 0.000 0.763 349 S HN 0.831 nan 8.310 nan 0.000 0.532 350 A N 1.209 124.198 122.820 0.283 0.000 2.178 350 A HA 0.187 4.507 4.320 -0.000 0.000 0.211 350 A C 1.296 179.239 177.584 0.600 0.000 1.157 350 A CA 0.480 52.749 52.037 0.387 0.000 0.780 350 A CB 0.046 19.281 19.000 0.392 0.000 0.828 350 A HN 0.434 nan 8.150 nan 0.000 0.476 351 S N -1.407 114.567 115.700 0.457 0.000 2.128 351 S HA 0.488 4.958 4.470 -0.000 0.000 0.157 351 S C -0.353 174.318 174.600 0.119 0.000 1.650 351 S CA -0.080 58.271 58.200 0.251 0.000 1.269 351 S CB -0.289 62.924 63.200 0.022 0.000 1.227 351 S HN 0.548 nan 8.310 nan 0.000 0.405 352 N N 0.893 119.659 118.700 0.110 0.000 2.584 352 N HA 0.086 4.826 4.740 -0.000 0.000 0.318 352 N C -0.503 175.037 175.510 0.050 0.000 0.669 352 N CA -0.039 53.044 53.050 0.055 0.000 1.248 352 N CB 0.239 38.745 38.487 0.031 0.000 1.659 352 N HN 0.204 nan 8.380 nan 0.000 1.460 353 D N 0.544 120.983 120.400 0.064 0.000 2.402 353 D HA 0.277 4.917 4.640 -0.000 0.000 0.216 353 D C 0.313 176.651 176.300 0.064 0.000 1.128 353 D CA 0.059 54.112 54.000 0.087 0.000 0.833 353 D CB 0.632 41.496 40.800 0.106 0.000 0.971 353 D HN 0.352 nan 8.370 nan 0.000 0.503 354 G N -0.161 108.663 108.800 0.039 0.000 2.557 354 G HA2 0.526 4.486 3.960 -0.000 0.000 0.292 354 G HA3 0.526 4.486 3.960 -0.000 0.000 0.292 354 G C -0.113 174.798 174.900 0.019 0.000 1.237 354 G CA -0.373 44.745 45.100 0.030 0.000 0.978 354 G HN 0.084 nan 8.290 nan 0.000 0.498 355 A N -0.456 122.379 122.820 0.026 0.000 3.106 355 A HA 0.418 4.738 4.320 -0.000 0.000 0.227 355 A C 0.068 177.673 177.584 0.035 0.000 0.920 355 A CA -0.240 51.814 52.037 0.029 0.000 1.088 355 A CB 0.483 19.539 19.000 0.093 0.000 1.233 355 A HN 0.378 nan 8.150 nan 0.000 0.503 356 Q N 0.698 120.513 119.800 0.026 0.000 2.390 356 Q HA 0.317 4.657 4.340 -0.000 0.000 0.249 356 Q C 0.730 176.753 176.000 0.039 0.000 0.996 356 Q CA -0.388 55.438 55.803 0.038 0.000 0.899 356 Q CB 1.177 29.933 28.738 0.030 0.000 1.216 356 Q HN 0.637 nan 8.270 nan 0.000 0.465 357 M N 3.935 123.570 119.600 0.058 0.000 2.159 357 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 357 M C 1.616 177.948 176.300 0.054 0.000 1.063 357 M CA 1.648 56.982 55.300 0.057 0.000 1.110 357 M CB -0.265 32.381 32.600 0.077 0.000 1.374 357 M HN 0.519 nan 8.290 nan 0.000 0.411 358 V N -1.985 117.972 119.914 0.072 0.000 2.427 358 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 358 V C 2.283 178.372 176.094 -0.008 0.000 1.051 358 V CA 1.575 63.889 62.300 0.025 0.000 1.048 358 V CB -2.223 29.596 31.823 -0.006 0.000 0.666 358 V HN 0.425 nan 8.190 nan 0.000 0.456 359 A N -0.059 122.762 122.820 0.002 0.000 1.972 359 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 359 A C 2.207 179.783 177.584 -0.013 0.000 1.169 359 A CA 1.685 53.715 52.037 -0.012 0.000 0.635 359 A CB -0.523 18.474 19.000 -0.004 0.000 0.810 359 A HN 0.571 nan 8.150 nan 0.000 0.446 360 E N -0.103 120.093 120.200 -0.006 0.000 2.072 360 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 360 E C 2.229 178.826 176.600 -0.006 0.000 0.985 360 E CA 1.262 57.655 56.400 -0.012 0.000 0.801 360 E CB -0.588 29.104 29.700 -0.012 0.000 0.750 360 E HN 0.376 nan 8.360 nan 0.000 0.452 361 V N 1.580 121.492 119.914 -0.003 0.000 2.332 361 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 361 V C 2.639 178.713 176.094 -0.034 0.000 1.055 361 V CA 2.118 64.414 62.300 -0.007 0.000 1.038 361 V CB -0.540 31.275 31.823 -0.014 0.000 0.651 361 V HN 0.214 nan 8.190 nan 0.000 0.450 362 R N -0.236 120.234 120.500 -0.051 0.000 2.066 362 R HA -0.226 4.114 4.340 -0.000 0.000 0.232 362 R C 2.400 178.671 176.300 -0.049 0.000 1.131 362 R CA 1.912 57.964 56.100 -0.079 0.000 0.955 362 R CB -0.261 29.995 30.300 -0.072 0.000 0.851 362 R HN 0.454 nan 8.270 nan 0.000 0.432 363 Q N 0.439 120.227 119.800 -0.022 0.000 2.084 363 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 363 Q C 1.846 177.866 176.000 0.033 0.000 0.978 363 Q CA 2.203 58.005 55.803 -0.003 0.000 0.844 363 Q CB -0.329 28.403 28.738 -0.009 0.000 0.898 363 Q HN 0.469 nan 8.270 nan 0.000 0.426 364 A N 0.195 123.050 122.820 0.058 0.000 1.908 364 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 364 A C 2.106 179.750 177.584 0.100 0.000 1.181 364 A CA 1.540 53.673 52.037 0.160 0.000 0.627 364 A CB -0.930 18.187 19.000 0.195 0.000 0.818 364 A HN 0.515 nan 8.150 nan 0.000 0.445 365 L N -1.065 120.169 121.223 0.018 0.000 2.046 365 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 365 L C 2.214 179.081 176.870 -0.004 0.000 1.077 365 L CA 1.356 56.182 54.840 -0.025 0.000 0.747 365 L CB -0.237 41.737 42.059 -0.141 0.000 0.896 365 L HN 0.284 nan 8.230 nan 0.000 0.432 366 L N -0.500 120.716 121.223 -0.011 0.000 2.046 366 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 366 L C 2.325 179.211 176.870 0.027 0.000 1.077 366 L CA 1.594 56.438 54.840 0.007 0.000 0.747 366 L CB -0.957 41.102 42.059 -0.001 0.000 0.896 366 L HN 0.283 nan 8.230 nan 0.000 0.432 367 L N -1.121 120.131 121.223 0.047 0.000 1.994 367 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 367 L C 2.703 179.607 176.870 0.058 0.000 1.071 367 L CA 1.272 56.145 54.840 0.055 0.000 0.745 367 L CB -0.274 41.852 42.059 0.111 0.000 0.892 367 L HN 0.351 nan 8.230 nan 0.000 0.431 368 Q N -0.063 119.810 119.800 0.121 0.000 2.135 368 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 368 Q C 2.190 178.299 176.000 0.181 0.000 0.981 368 Q CA 1.570 57.502 55.803 0.216 0.000 0.856 368 Q CB -0.310 28.545 28.738 0.195 0.000 0.902 368 Q HN 0.519 nan 8.270 nan 0.000 0.425 369 R N -0.459 120.100 120.500 0.099 0.000 2.092 369 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 369 R C 2.301 178.614 176.300 0.022 0.000 1.119 369 R CA 0.961 57.109 56.100 0.080 0.000 0.970 369 R CB -0.397 29.946 30.300 0.071 0.000 0.864 369 R HN 0.078 nan 8.270 nan 0.000 0.440 370 V N 0.292 120.194 119.914 -0.021 0.000 2.667 370 V HA -0.039 4.081 4.120 -0.000 0.000 0.252 370 V C 1.756 177.757 176.094 -0.155 0.000 1.065 370 V CA 2.040 64.304 62.300 -0.060 0.000 1.083 370 V CB 0.137 31.929 31.823 -0.052 0.000 0.692 370 V HN 0.493 nan 8.190 nan 0.000 0.468 371 G N -2.164 106.456 108.800 -0.300 0.000 2.887 371 G HA2 0.030 3.990 3.960 -0.000 0.000 0.211 371 G HA3 0.030 3.990 3.960 -0.000 0.000 0.211 371 G C 0.806 175.160 174.900 -0.910 0.000 1.152 371 G CA 0.387 45.082 45.100 -0.675 0.000 0.769 371 G HN 0.553 nan 8.290 nan 0.000 0.541 372 F N -0.378 119.579 119.950 0.011 0.000 2.925 372 F HA 0.458 4.985 4.527 -0.000 0.000 0.355 372 F C 0.994 176.801 175.800 0.012 0.000 1.073 372 F CA -0.303 57.702 58.000 0.009 0.000 1.127 372 F CB 0.967 39.970 39.000 0.004 0.000 1.123 372 F HN 0.285 nan 8.300 nan 0.000 0.551 373 G N 1.236 110.123 108.800 0.146 0.000 2.484 373 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.685 373 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.685 373 G C -2.306 172.654 174.900 0.099 0.000 1.294 373 G CA -0.587 44.576 45.100 0.105 0.000 0.879 373 G HN -0.185 nan 8.290 nan 0.000 0.646 374 P HA -0.037 nan 4.420 nan 0.000 0.223 374 P C 0.756 178.110 177.300 0.090 0.000 1.144 374 P CA 1.926 65.078 63.100 0.085 0.000 0.783 374 P CB 0.035 31.777 31.700 0.070 0.000 0.771 375 D N -1.196 119.252 120.400 0.079 0.000 2.368 375 D HA 0.171 4.811 4.640 -0.000 0.000 0.218 375 D C 1.560 177.899 176.300 0.064 0.000 1.112 375 D CA -0.165 53.876 54.000 0.068 0.000 0.834 375 D CB -0.591 40.239 40.800 0.051 0.000 0.953 375 D HN 0.030 nan 8.370 nan 0.000 0.505 376 A N 0.330 123.202 122.820 0.086 0.000 2.019 376 A HA 0.117 4.436 4.320 -0.000 0.000 0.219 376 A C 1.125 178.742 177.584 0.055 0.000 1.164 376 A CA 0.790 52.879 52.037 0.086 0.000 0.644 376 A CB -0.252 18.855 19.000 0.178 0.000 0.805 376 A HN 0.420 nan 8.150 nan 0.000 0.449 377 M N -0.254 119.380 119.600 0.057 0.000 2.323 377 M HA 0.250 4.730 4.480 -0.000 0.000 0.278 377 M C -0.827 175.496 176.300 0.037 0.000 1.069 377 M CA -0.269 55.052 55.300 0.036 0.000 0.950 377 M CB 1.686 34.302 32.600 0.027 0.000 1.879 377 M HN 0.285 nan 8.290 nan 0.000 0.491 378 T N 1.123 115.701 114.554 0.039 0.000 2.881 378 T HA 0.704 5.054 4.350 -0.000 0.000 0.278 378 T C 1.046 175.751 174.700 0.008 0.000 0.982 378 T CA -0.040 62.098 62.100 0.063 0.000 0.989 378 T CB 1.550 70.465 68.868 0.079 0.000 1.058 378 T HN 0.764 nan 8.240 nan 0.000 0.529 379 A N 0.877 123.708 122.820 0.018 0.000 1.902 379 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 379 A C 2.523 180.103 177.584 -0.006 0.000 1.181 379 A CA 1.452 53.451 52.037 -0.063 0.000 0.623 379 A CB -0.833 18.183 19.000 0.026 0.000 0.818 379 A HN 0.897 nan 8.150 nan 0.000 0.443 380 R N -0.839 119.684 120.500 0.038 0.000 2.148 380 R HA -0.103 4.237 4.340 -0.000 0.000 0.227 380 R C 2.190 178.502 176.300 0.021 0.000 1.103 380 R CA 1.393 57.513 56.100 0.033 0.000 0.983 380 R CB -0.139 30.187 30.300 0.044 0.000 0.874 380 R HN 0.795 nan 8.270 nan 0.000 0.451 381 E N -0.104 120.106 120.200 0.018 0.000 2.072 381 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 381 E C 1.806 178.411 176.600 0.008 0.000 0.982 381 E CA 1.039 57.447 56.400 0.013 0.000 0.803 381 E CB -0.003 29.705 29.700 0.014 0.000 0.755 381 E HN 0.367 nan 8.360 nan 0.000 0.453 382 A N 1.367 124.184 122.820 -0.004 0.000 1.902 382 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 382 A C 2.163 179.749 177.584 0.005 0.000 1.181 382 A CA 0.945 52.980 52.037 -0.003 0.000 0.623 382 A CB -0.624 18.355 19.000 -0.036 0.000 0.818 382 A HN 0.374 nan 8.150 nan 0.000 0.443 383 L N -0.096 121.127 121.223 0.000 0.000 2.141 383 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 383 L C 2.276 179.159 176.870 0.021 0.000 1.094 383 L CA 2.368 57.216 54.840 0.013 0.000 0.763 383 L CB -0.989 41.079 42.059 0.015 0.000 0.908 383 L HN 0.695 nan 8.230 nan 0.000 0.437 384 E N -0.162 120.048 120.200 0.017 0.000 2.072 384 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 384 E C 2.327 178.933 176.600 0.011 0.000 0.985 384 E CA 0.965 57.374 56.400 0.015 0.000 0.801 384 E CB -0.009 29.699 29.700 0.014 0.000 0.750 384 E HN 0.493 nan 8.360 nan 0.000 0.452 385 I N 0.848 121.427 120.570 0.014 0.000 2.286 385 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 385 I C 2.335 178.459 176.117 0.011 0.000 1.115 385 I CA 0.988 62.297 61.300 0.015 0.000 1.392 385 I CB -0.211 37.809 38.000 0.033 0.000 1.065 385 I HN 0.182 nan 8.210 nan 0.000 0.418 386 A N 0.037 122.868 122.820 0.019 0.000 2.168 386 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 386 A C 2.034 179.625 177.584 0.012 0.000 1.152 386 A CA 1.803 53.851 52.037 0.019 0.000 0.716 386 A CB -0.657 18.361 19.000 0.031 0.000 0.794 386 A HN 0.544 nan 8.150 nan 0.000 0.465 387 T N -3.325 111.234 114.554 0.009 0.000 3.518 387 T HA 0.213 4.563 4.350 -0.000 0.000 0.211 387 T C 1.682 176.373 174.700 -0.015 0.000 0.940 387 T CA 0.460 62.565 62.100 0.008 0.000 1.307 387 T CB -0.656 68.230 68.868 0.030 0.000 1.392 387 T HN 0.062 nan 8.240 nan 0.000 0.382 388 L N 1.592 122.810 121.223 -0.008 0.000 2.131 388 L HA 0.137 4.477 4.340 -0.000 0.000 0.210 388 L C 3.053 179.899 176.870 -0.040 0.000 1.092 388 L CA 1.546 56.374 54.840 -0.020 0.000 0.759 388 L CB -1.009 41.046 42.059 -0.008 0.000 0.903 388 L HN 0.630 nan 8.230 nan 0.000 0.435 389 G N -0.144 108.636 108.800 -0.034 0.000 2.402 389 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 389 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 389 G C 1.610 176.451 174.900 -0.098 0.000 1.162 389 G CA 0.693 45.765 45.100 -0.046 0.000 0.777 389 G HN 0.466 nan 8.290 nan 0.000 0.539 390 G N 1.112 109.847 108.800 -0.109 0.000 2.418 390 G HA2 0.042 4.002 3.960 -0.000 0.000 0.217 390 G HA3 0.042 4.002 3.960 -0.000 0.000 0.217 390 G C 2.042 176.786 174.900 -0.260 0.000 1.158 390 G CA 1.588 46.574 45.100 -0.191 0.000 0.771 390 G HN 0.634 nan 8.290 nan 0.000 0.545 391 A N 0.667 123.382 122.820 -0.176 0.000 1.858 391 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 391 A C 2.349 179.825 177.584 -0.179 0.000 1.190 391 A CA 2.070 54.005 52.037 -0.169 0.000 0.617 391 A CB -0.458 18.487 19.000 -0.091 0.000 0.827 391 A HN 0.206 nan 8.150 nan 0.000 0.443 392 K N -0.228 120.092 120.400 -0.133 0.000 2.020 392 K HA -0.133 4.187 4.320 -0.000 0.000 0.212 392 K C 2.000 178.507 176.600 -0.154 0.000 1.050 392 K CA 1.652 57.875 56.287 -0.106 0.000 0.929 392 K CB -0.894 31.566 32.500 -0.066 0.000 0.714 392 K HN 0.279 nan 8.250 nan 0.000 0.443 393 V N 1.069 120.841 119.914 -0.237 0.000 2.469 393 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 393 V C 2.042 177.752 176.094 -0.640 0.000 1.064 393 V CA 1.226 63.302 62.300 -0.373 0.000 1.066 393 V CB -0.236 31.308 31.823 -0.466 0.000 0.667 393 V HN 0.171 nan 8.190 nan 0.000 0.461 394 L N -0.171 120.654 121.223 -0.663 0.000 2.591 394 L HA 0.231 4.571 4.340 -0.000 0.000 0.228 394 L C 1.195 177.914 176.870 -0.252 0.000 1.133 394 L CA 0.780 55.197 54.840 -0.704 0.000 0.880 394 L CB -1.511 40.081 42.059 -0.779 0.000 1.033 394 L HN 0.591 nan 8.230 nan 0.000 0.450 395 N N 0.794 119.399 118.700 -0.160 0.000 2.756 395 N HA -0.208 4.532 4.740 -0.000 0.000 0.248 395 N C -0.355 175.144 175.510 -0.018 0.000 1.062 395 N CA 0.149 53.182 53.050 -0.028 0.000 0.696 395 N CB -0.294 38.238 38.487 0.074 0.000 0.946 395 N HN 0.331 nan 8.380 nan 0.000 0.548 396 R N 0.408 120.874 120.500 -0.057 0.000 2.686 396 R HA 0.213 4.553 4.340 -0.000 0.000 0.283 396 R C -0.115 176.156 176.300 -0.049 0.000 0.978 396 R CA -0.609 55.470 56.100 -0.035 0.000 0.897 396 R CB 1.091 31.380 30.300 -0.018 0.000 1.192 396 R HN 0.240 nan 8.270 nan 0.000 0.457 397 D N 0.578 120.950 120.400 -0.046 0.000 2.535 397 D HA -0.049 4.591 4.640 -0.000 0.000 0.229 397 D C -0.075 176.208 176.300 -0.028 0.000 1.238 397 D CA -0.045 53.930 54.000 -0.040 0.000 0.824 397 D CB 0.434 41.206 40.800 -0.047 0.000 1.045 397 D HN 0.559 nan 8.370 nan 0.000 0.500 398 D N 1.067 121.450 120.400 -0.028 0.000 2.402 398 D HA 0.142 4.782 4.640 -0.000 0.000 0.216 398 D C 1.022 177.368 176.300 0.077 0.000 1.128 398 D CA -0.366 53.637 54.000 0.004 0.000 0.833 398 D CB 0.136 40.870 40.800 -0.111 0.000 0.971 398 D HN 0.536 nan 8.370 nan 0.000 0.503 399 I N -6.956 113.640 120.570 0.044 0.000 3.279 399 I HA 0.725 4.895 4.170 -0.000 0.000 0.315 399 I C 0.815 176.948 176.117 0.027 0.000 1.225 399 I CA -0.779 60.551 61.300 0.051 0.000 0.947 399 I CB 2.003 40.026 38.000 0.039 0.000 1.293 399 I HN -0.132 nan 8.210 nan 0.000 0.468 400 G N 1.030 109.850 108.800 0.033 0.000 2.199 400 G HA2 0.123 4.083 3.960 -0.000 0.000 0.254 400 G HA3 0.123 4.083 3.960 -0.000 0.000 0.254 400 G C 0.013 174.935 174.900 0.036 0.000 0.982 400 G CA 0.232 45.346 45.100 0.024 0.000 0.632 400 G HN 1.782 nan 8.290 nan 0.000 0.529 401 A N -0.717 122.130 122.820 0.045 0.000 2.549 401 A HA 0.772 5.092 4.320 -0.000 0.000 0.297 401 A C -1.175 176.439 177.584 0.050 0.000 1.061 401 A CA -0.641 51.422 52.037 0.042 0.000 0.690 401 A CB 1.404 20.422 19.000 0.029 0.000 1.287 401 A HN 0.809 nan 8.150 nan 0.000 0.402 402 L N 2.709 123.955 121.223 0.038 0.000 2.288 402 L HA 0.536 4.875 4.340 -0.000 0.000 0.283 402 L C 0.336 177.213 176.870 0.012 0.000 1.072 402 L CA 0.403 55.257 54.840 0.024 0.000 0.862 402 L CB -0.287 41.770 42.059 -0.003 0.000 1.245 402 L HN 0.837 nan 8.230 nan 0.000 0.432 403 K N 2.456 122.869 120.400 0.021 0.000 2.607 403 K HA 0.655 4.975 4.320 -0.000 0.000 0.287 403 K C -3.119 173.498 176.600 0.028 0.000 0.996 403 K CA -1.962 54.336 56.287 0.018 0.000 0.876 403 K CB 1.145 33.656 32.500 0.020 0.000 1.496 403 K HN -0.111 nan 8.250 nan 0.000 0.415 404 P HA -0.002 nan 4.420 nan 0.000 0.265 404 P C 0.530 177.863 177.300 0.055 0.000 1.187 404 P CA 1.818 64.938 63.100 0.033 0.000 0.766 404 P CB 0.417 32.135 31.700 0.029 0.000 0.820 405 G N 0.916 109.761 108.800 0.075 0.000 2.179 405 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 405 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 405 G C 0.137 175.179 174.900 0.237 0.000 0.977 405 G CA -0.196 44.992 45.100 0.148 0.000 0.641 405 G HN 0.371 nan 8.290 nan 0.000 0.533 406 M N 0.378 120.084 119.600 0.176 0.000 2.706 406 M HA 0.760 5.240 4.480 -0.000 0.000 0.304 406 M C 0.821 177.257 176.300 0.226 0.000 1.217 406 M CA -0.771 54.662 55.300 0.222 0.000 0.922 406 M CB 1.096 33.767 32.600 0.117 0.000 1.637 406 M HN 0.594 nan 8.290 nan 0.000 0.492 407 A N 0.982 123.965 122.820 0.273 0.000 2.425 407 A HA 0.532 4.852 4.320 -0.000 0.000 0.249 407 A C 0.459 178.080 177.584 0.062 0.000 1.084 407 A CA -0.226 51.907 52.037 0.160 0.000 0.781 407 A CB -0.114 19.027 19.000 0.236 0.000 1.019 407 A HN 0.891 nan 8.150 nan 0.000 0.490 408 A N 3.277 126.090 122.820 -0.012 0.000 3.052 408 A HA 0.424 4.744 4.320 -0.000 0.000 0.266 408 A C -0.619 177.009 177.584 0.073 0.000 1.855 408 A CA -0.175 51.891 52.037 0.048 0.000 1.473 408 A CB -0.790 18.203 19.000 -0.012 0.000 1.038 408 A HN 0.655 nan 8.150 nan 0.000 0.619 409 D N 0.999 121.469 120.400 0.117 0.000 2.505 409 D HA 0.704 5.344 4.640 -0.000 0.000 0.249 409 D C -0.451 175.957 176.300 0.181 0.000 1.082 409 D CA 0.153 54.177 54.000 0.040 0.000 0.839 409 D CB 1.491 42.311 40.800 0.033 0.000 1.317 409 D HN 0.389 nan 8.370 nan 0.000 0.497 410 F N -0.570 119.383 119.950 0.005 0.000 2.741 410 F HA 0.807 5.333 4.527 -0.001 0.000 0.311 410 F C -1.853 173.950 175.800 0.005 0.000 1.149 410 F CA -1.365 56.644 58.000 0.014 0.000 0.930 410 F CB 0.917 39.920 39.000 0.006 0.000 1.312 410 F HN 0.336 nan 8.300 nan 0.000 0.450 411 A N 1.125 124.112 122.820 0.278 0.000 2.374 411 A HA 0.988 5.308 4.320 -0.000 0.000 0.317 411 A C -1.321 176.344 177.584 0.134 0.000 1.094 411 A CA -0.445 51.633 52.037 0.068 0.000 0.765 411 A CB 1.299 20.308 19.000 0.016 0.000 1.268 411 A HN 1.951 nan 8.150 nan 0.000 0.438 412 A N 1.129 123.910 122.820 -0.064 0.000 2.356 412 A HA 0.810 5.130 4.320 -0.000 0.000 0.310 412 A C -1.324 176.176 177.584 -0.140 0.000 1.075 412 A CA -0.349 51.740 52.037 0.086 0.000 0.746 412 A CB 0.517 19.673 19.000 0.260 0.000 1.221 412 A HN 0.696 nan 8.150 nan 0.000 0.443 413 F N 1.041 121.160 119.950 0.282 0.000 2.495 413 F HA 0.355 4.882 4.527 0.001 0.000 0.327 413 F C 0.213 176.055 175.800 0.071 0.000 1.103 413 F CA -0.610 57.523 58.000 0.221 0.000 0.949 413 F CB 1.954 41.078 39.000 0.206 0.000 1.142 413 F HN 0.555 nan 8.300 nan 0.000 0.457 414 D N 3.677 124.169 120.400 0.154 0.000 2.374 414 D HA 0.134 4.774 4.640 -0.000 0.000 0.240 414 D C 0.795 177.084 176.300 -0.018 0.000 1.229 414 D CA 0.231 54.085 54.000 -0.244 0.000 0.895 414 D CB 0.723 41.444 40.800 -0.132 0.000 1.046 414 D HN 0.568 nan 8.370 nan 0.000 0.498 415 L N 3.412 124.514 121.223 -0.203 0.000 2.633 415 L HA 0.012 4.352 4.340 -0.000 0.000 0.235 415 L C 2.010 178.883 176.870 0.005 0.000 1.163 415 L CA 0.402 55.105 54.840 -0.230 0.000 0.859 415 L CB -0.063 41.810 42.059 -0.310 0.000 0.973 415 L HN 0.219 nan 8.230 nan 0.000 0.451 416 R N -0.696 119.817 120.500 0.022 0.000 2.300 416 R HA 0.074 4.414 4.340 -0.000 0.000 0.199 416 R C 0.380 176.737 176.300 0.094 0.000 0.920 416 R CA -0.107 56.020 56.100 0.045 0.000 1.046 416 R CB 0.153 30.457 30.300 0.006 0.000 0.984 416 R HN 0.454 nan 8.270 nan 0.000 0.493 417 Q N 0.695 120.596 119.800 0.168 0.000 2.392 417 Q HA 0.023 4.363 4.340 -0.000 0.000 0.262 417 Q C -1.812 174.245 176.000 0.095 0.000 1.003 417 Q CA -1.449 54.428 55.803 0.122 0.000 0.888 417 Q CB 0.414 29.224 28.738 0.120 0.000 1.260 417 Q HN -0.116 nan 8.270 nan 0.000 0.435 418 P HA -0.208 nan 4.420 nan 0.000 0.216 418 P C 1.132 178.430 177.300 -0.004 0.000 1.150 418 P CA 1.138 64.251 63.100 0.021 0.000 0.837 418 P CB -0.014 31.689 31.700 0.004 0.000 0.786 419 L N -4.351 116.825 121.223 -0.077 0.000 2.187 419 L HA -0.062 4.278 4.340 -0.000 0.000 0.213 419 L C 1.886 178.640 176.870 -0.192 0.000 1.100 419 L CA 1.910 56.640 54.840 -0.185 0.000 0.765 419 L CB -1.919 39.941 42.059 -0.331 0.000 0.904 419 L HN -0.129 nan 8.230 nan 0.000 0.437 420 F N 0.764 120.718 119.950 0.007 0.000 2.765 420 F HA 0.451 4.978 4.527 -0.000 0.000 0.302 420 F C 1.730 177.523 175.800 -0.011 0.000 1.111 420 F CA -0.207 57.793 58.000 0.001 0.000 1.359 420 F CB -0.123 38.874 39.000 -0.004 0.000 1.097 420 F HN 0.114 nan 8.300 nan 0.000 0.577 421 A N 0.617 123.522 122.820 0.142 0.000 2.522 421 A HA 0.385 4.705 4.320 -0.000 0.000 0.256 421 A C 1.396 179.014 177.584 0.058 0.000 1.086 421 A CA 0.786 52.869 52.037 0.076 0.000 0.763 421 A CB -0.830 18.199 19.000 0.048 0.000 1.024 421 A HN 0.816 nan 8.150 nan 0.000 0.502 422 G N 0.849 109.661 108.800 0.020 0.000 2.141 422 G HA2 0.101 4.061 3.960 -0.000 0.000 0.242 422 G HA3 0.101 4.061 3.960 -0.000 0.000 0.242 422 G C 0.623 175.549 174.900 0.043 0.000 0.982 422 G CA 0.588 45.704 45.100 0.026 0.000 0.662 422 G HN 2.147 nan 8.290 nan 0.000 0.527 423 A N -0.366 122.465 122.820 0.018 0.000 2.571 423 A HA 0.667 4.987 4.320 -0.000 0.000 0.274 423 A C 1.616 179.190 177.584 -0.016 0.000 1.196 423 A CA 0.428 52.516 52.037 0.084 0.000 0.957 423 A CB 0.046 19.157 19.000 0.184 0.000 1.150 423 A HN 0.585 nan 8.150 nan 0.000 0.539 424 L N -0.303 120.803 121.223 -0.196 0.000 2.650 424 L HA 0.018 4.358 4.340 -0.000 0.000 0.235 424 L C 1.449 178.203 176.870 -0.193 0.000 1.149 424 L CA 0.375 55.104 54.840 -0.184 0.000 0.887 424 L CB -0.776 41.176 42.059 -0.177 0.000 1.021 424 L HN 0.531 nan 8.230 nan 0.000 0.441 425 H N -1.107 117.963 119.070 0.001 0.000 2.495 425 H HA 0.005 4.561 4.556 0.000 0.000 0.287 425 H C 0.371 175.696 175.328 -0.005 0.000 1.033 425 H CA 0.673 56.717 56.048 -0.007 0.000 1.307 425 H CB 0.214 29.967 29.762 -0.016 0.000 1.401 425 H HN 0.122 nan 8.280 nan 0.000 0.555 426 D N -1.584 118.871 120.400 0.092 0.000 2.584 426 D HA 0.092 4.732 4.640 -0.000 0.000 0.238 426 D C -2.261 174.068 176.300 0.048 0.000 1.302 426 D CA -1.650 52.389 54.000 0.066 0.000 0.884 426 D CB 0.773 41.621 40.800 0.081 0.000 1.456 426 D HN -0.098 nan 8.370 nan 0.000 0.528 427 P HA -0.134 nan 4.420 nan 0.000 0.216 427 P C 1.641 178.917 177.300 -0.041 0.000 1.150 427 P CA 0.636 63.692 63.100 -0.073 0.000 0.843 427 P CB 0.578 32.213 31.700 -0.108 0.000 0.787 428 V N 0.157 120.076 119.914 0.007 0.000 2.270 428 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 428 V C 2.477 178.614 176.094 0.072 0.000 1.043 428 V CA 2.294 64.611 62.300 0.028 0.000 1.014 428 V CB -1.784 30.062 31.823 0.039 0.000 0.645 428 V HN 0.104 nan 8.190 nan 0.000 0.447 429 A N 0.062 122.961 122.820 0.132 0.000 1.933 429 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 429 A C 2.440 180.225 177.584 0.336 0.000 1.175 429 A CA 1.938 54.133 52.037 0.264 0.000 0.628 429 A CB -0.825 18.379 19.000 0.341 0.000 0.814 429 A HN 0.581 nan 8.150 nan 0.000 0.444 430 A N -0.288 122.686 122.820 0.256 0.000 1.948 430 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 430 A C 2.089 179.882 177.584 0.348 0.000 1.177 430 A CA 1.848 54.074 52.037 0.315 0.000 0.636 430 A CB -0.670 18.493 19.000 0.272 0.000 0.815 430 A HN 0.752 nan 8.150 nan 0.000 0.449 431 L N -0.404 120.954 121.223 0.226 0.000 2.127 431 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 431 L C 2.171 179.044 176.870 0.004 0.000 1.089 431 L CA 1.936 56.846 54.840 0.116 0.000 0.757 431 L CB -0.158 41.827 42.059 -0.124 0.000 0.899 431 L HN 0.183 nan 8.230 nan 0.000 0.434 432 V N -2.093 117.819 119.914 -0.003 0.000 2.795 432 V HA -0.062 4.058 4.120 -0.000 0.000 0.243 432 V C 1.955 177.953 176.094 -0.161 0.000 1.069 432 V CA 1.064 63.284 62.300 -0.133 0.000 1.089 432 V CB -0.490 31.177 31.823 -0.259 0.000 0.756 432 V HN 0.260 nan 8.190 nan 0.000 0.471 433 F N -0.178 119.790 119.950 0.029 0.000 2.456 433 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 433 F C 1.592 177.397 175.800 0.009 0.000 1.104 433 F CA 0.289 58.304 58.000 0.026 0.000 1.435 433 F CB -0.197 38.828 39.000 0.042 0.000 1.078 433 F HN 0.161 nan 8.300 nan 0.000 0.546 434 C N -0.046 119.350 119.300 0.161 0.000 2.345 434 C HA 0.709 5.169 4.460 -0.000 0.000 0.369 434 C C 0.929 175.879 174.990 -0.066 0.000 1.273 434 C CA -1.516 57.517 59.018 0.025 0.000 2.310 434 C CB 0.449 28.149 27.740 -0.066 0.000 2.219 434 C HN 0.357 nan 8.230 nan 0.000 0.587 435 A N 2.781 125.531 122.820 -0.117 0.000 2.520 435 A HA 0.370 4.690 4.320 -0.000 0.000 0.235 435 A C -1.985 175.505 177.584 -0.156 0.000 1.065 435 A CA -0.386 51.584 52.037 -0.113 0.000 0.764 435 A CB -0.612 18.323 19.000 -0.109 0.000 1.002 435 A HN 0.765 nan 8.150 nan 0.000 0.502 436 P HA 0.064 nan 4.420 nan 0.000 0.266 436 P C -0.233 177.027 177.300 -0.065 0.000 1.215 436 P CA 0.339 63.393 63.100 -0.078 0.000 0.763 436 P CB 0.793 32.474 31.700 -0.032 0.000 0.806 437 S N 3.101 118.773 115.700 -0.047 0.000 2.578 437 S HA 0.241 4.711 4.470 -0.000 0.000 0.283 437 S C -0.020 174.758 174.600 0.296 0.000 1.195 437 S CA -0.645 57.604 58.200 0.081 0.000 1.050 437 S CB 0.483 63.756 63.200 0.121 0.000 1.012 437 S HN 0.267 nan 8.310 nan 0.000 0.511 438 Q N 2.001 121.942 119.800 0.235 0.000 2.260 438 Q HA 0.284 4.624 4.340 -0.000 0.000 0.238 438 Q C 0.392 176.511 176.000 0.198 0.000 0.948 438 Q CA -0.256 55.659 55.803 0.187 0.000 0.895 438 Q CB 1.099 29.881 28.738 0.074 0.000 1.218 438 Q HN 0.883 nan 8.270 nan 0.000 0.470 439 T N -2.736 111.794 114.554 -0.040 0.000 2.882 439 T HA 0.508 4.858 4.350 -0.000 0.000 0.287 439 T C 0.880 175.473 174.700 -0.178 0.000 1.014 439 T CA -0.126 61.749 62.100 -0.374 0.000 1.049 439 T CB 1.155 69.723 68.868 -0.501 0.000 1.001 439 T HN 0.543 nan 8.240 nan 0.000 0.525 440 A N 1.273 124.014 122.820 -0.131 0.000 1.911 440 A HA 0.358 4.678 4.320 -0.000 0.000 0.212 440 A C 0.077 177.392 177.584 -0.449 0.000 1.189 440 A CA 0.342 52.298 52.037 -0.134 0.000 0.639 440 A CB -0.345 18.790 19.000 0.224 0.000 0.839 440 A HN 0.831 nan 8.150 nan 0.000 0.449 441 Y N -1.666 118.579 120.300 -0.092 0.000 2.524 441 Y HA 0.546 5.096 4.550 -0.000 0.000 0.347 441 Y C -0.489 175.294 175.900 -0.195 0.000 1.005 441 Y CA -0.670 57.360 58.100 -0.117 0.000 1.025 441 Y CB 2.272 40.688 38.460 -0.073 0.000 1.275 441 Y HN -0.123 nan 8.280 nan 0.000 0.460 442 T N 2.632 117.142 114.554 -0.073 0.000 2.937 442 T HA 0.546 4.896 4.350 -0.000 0.000 0.297 442 T C -1.269 173.259 174.700 -0.287 0.000 0.991 442 T CA -0.604 61.382 62.100 -0.191 0.000 0.990 442 T CB 1.072 69.853 68.868 -0.146 0.000 0.991 442 T HN 0.302 nan 8.240 nan 0.000 0.440 443 V N 4.045 123.618 119.914 -0.568 0.000 2.495 443 V HA 0.679 4.799 4.120 -0.000 0.000 0.298 443 V C -0.474 175.372 176.094 -0.414 0.000 1.031 443 V CA -0.661 61.262 62.300 -0.629 0.000 0.871 443 V CB 1.913 32.968 31.823 -1.280 0.000 0.988 443 V HN 0.703 nan 8.190 nan 0.000 0.432 444 V N 4.190 123.964 119.914 -0.233 0.000 2.525 444 V HA 0.482 4.602 4.120 -0.000 0.000 0.299 444 V C 0.561 176.602 176.094 -0.087 0.000 1.034 444 V CA -0.652 61.572 62.300 -0.127 0.000 0.863 444 V CB 1.323 33.097 31.823 -0.082 0.000 0.999 444 V HN 1.029 nan 8.190 nan 0.000 0.423 445 N N 3.114 121.782 118.700 -0.055 0.000 2.725 445 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 445 N C 1.109 176.576 175.510 -0.073 0.000 1.103 445 N CA 0.864 53.887 53.050 -0.046 0.000 0.707 445 N CB -0.494 37.979 38.487 -0.023 0.000 1.043 445 N HN 1.543 nan 8.380 nan 0.000 0.553 446 G N 0.005 108.757 108.800 -0.079 0.000 2.179 446 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 446 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 446 G C -0.085 174.768 174.900 -0.078 0.000 0.977 446 G CA 0.964 46.020 45.100 -0.073 0.000 0.641 446 G HN 0.609 nan 8.290 nan 0.000 0.533 447 K N 0.516 120.862 120.400 -0.090 0.000 2.164 447 K HA 0.631 4.951 4.320 -0.000 0.000 0.258 447 K C 0.130 176.667 176.600 -0.104 0.000 0.951 447 K CA -0.771 55.468 56.287 -0.079 0.000 0.844 447 K CB 1.652 34.115 32.500 -0.062 0.000 1.099 447 K HN -0.001 nan 8.250 nan 0.000 0.435 448 V N 5.297 125.166 119.914 -0.074 0.000 2.415 448 V HA 0.007 4.127 4.120 -0.000 0.000 0.267 448 V C 0.911 176.972 176.094 -0.056 0.000 1.042 448 V CA -0.094 62.169 62.300 -0.063 0.000 1.000 448 V CB 1.056 32.883 31.823 0.007 0.000 1.015 448 V HN 0.736 nan 8.190 nan 0.000 0.478 449 V N 5.649 125.514 119.914 -0.081 0.000 2.949 449 V HA 0.123 4.243 4.120 -0.000 0.000 0.245 449 V C 0.490 176.542 176.094 -0.070 0.000 1.086 449 V CA 0.679 62.934 62.300 -0.074 0.000 1.097 449 V CB 0.913 32.684 31.823 -0.087 0.000 0.762 449 V HN 0.579 nan 8.190 nan 0.000 0.470 450 V N 1.257 121.124 119.914 -0.078 0.000 2.483 450 V HA 0.503 4.623 4.120 -0.000 0.000 0.297 450 V C -0.332 175.693 176.094 -0.114 0.000 1.027 450 V CA -0.657 61.583 62.300 -0.099 0.000 0.855 450 V CB 1.896 33.646 31.823 -0.120 0.000 0.995 450 V HN 0.345 nan 8.190 nan 0.000 0.424 451 R N 3.696 124.102 120.500 -0.157 0.000 2.409 451 R HA 0.405 4.745 4.340 -0.000 0.000 0.313 451 R C -0.142 175.912 176.300 -0.411 0.000 0.953 451 R CA -0.316 55.634 56.100 -0.250 0.000 0.849 451 R CB 0.812 31.102 30.300 -0.016 0.000 1.171 451 R HN 0.852 nan 8.270 nan 0.000 0.458 452 E N 2.855 122.545 120.200 -0.849 0.000 2.360 452 E HA -0.262 4.088 4.350 -0.000 0.000 0.238 452 E C 0.474 176.911 176.600 -0.272 0.000 1.186 452 E CA 0.888 56.984 56.400 -0.507 0.000 0.719 452 E CB -1.200 28.349 29.700 -0.251 0.000 1.236 452 E HN 1.202 nan 8.360 nan 0.000 0.386 453 G N -0.050 108.587 108.800 -0.272 0.000 2.205 453 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.261 453 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.261 453 G C 0.327 175.157 174.900 -0.117 0.000 0.980 453 G CA 0.707 45.716 45.100 -0.152 0.000 0.632 453 G HN 0.318 nan 8.290 nan 0.000 0.533 454 R N -0.591 119.833 120.500 -0.127 0.000 2.604 454 R HA 0.622 4.962 4.340 -0.000 0.000 0.287 454 R C -0.254 175.995 176.300 -0.083 0.000 0.970 454 R CA -1.045 55.003 56.100 -0.088 0.000 0.946 454 R CB 1.514 31.771 30.300 -0.072 0.000 1.127 454 R HN 0.139 nan 8.270 nan 0.000 0.473 455 L N 2.326 123.509 121.223 -0.066 0.000 2.418 455 L HA 0.135 4.475 4.340 -0.000 0.000 0.274 455 L C 0.597 177.436 176.870 -0.051 0.000 1.135 455 L CA 0.798 55.601 54.840 -0.061 0.000 0.870 455 L CB 1.104 43.129 42.059 -0.056 0.000 1.154 455 L HN 0.879 nan 8.230 nan 0.000 0.462 456 A N 2.399 125.189 122.820 -0.049 0.000 2.267 456 A HA 0.070 4.390 4.320 -0.000 0.000 0.213 456 A C 1.527 179.091 177.584 -0.032 0.000 1.192 456 A CA 0.705 52.720 52.037 -0.036 0.000 0.851 456 A CB -0.458 18.526 19.000 -0.028 0.000 0.881 456 A HN 0.805 nan 8.150 nan 0.000 0.494 457 T N -1.840 112.691 114.554 -0.038 0.000 3.081 457 T HA 0.446 4.796 4.350 -0.000 0.000 0.250 457 T C 0.149 174.829 174.700 -0.032 0.000 1.100 457 T CA 0.618 62.697 62.100 -0.036 0.000 1.038 457 T CB -0.681 68.162 68.868 -0.042 0.000 0.962 457 T HN 0.846 nan 8.240 nan 0.000 0.516 458 L N -3.157 118.046 121.223 -0.033 0.000 2.866 458 L HA 0.665 5.005 4.340 -0.000 0.000 0.262 458 L C -1.966 174.887 176.870 -0.028 0.000 0.986 458 L CA -1.276 53.546 54.840 -0.029 0.000 0.925 458 L CB 0.906 42.946 42.059 -0.032 0.000 1.484 458 L HN -0.206 nan 8.230 nan 0.000 0.414 459 D N 1.072 121.458 120.400 -0.023 0.000 2.374 459 D HA 0.254 4.894 4.640 -0.000 0.000 0.240 459 D C 0.676 176.962 176.300 -0.023 0.000 1.229 459 D CA -0.055 53.932 54.000 -0.021 0.000 0.895 459 D CB 1.088 41.879 40.800 -0.015 0.000 1.046 459 D HN 0.714 nan 8.370 nan 0.000 0.498 460 L N 6.665 127.871 121.223 -0.028 0.000 2.093 460 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 460 L C -1.054 175.800 176.870 -0.026 0.000 1.085 460 L CA 1.435 56.255 54.840 -0.032 0.000 0.755 460 L CB -0.963 41.071 42.059 -0.042 0.000 0.904 460 L HN 0.362 nan 8.230 nan 0.000 0.435 461 P HA -0.133 nan 4.420 nan 0.000 0.215 461 P C -1.396 175.900 177.300 -0.006 0.000 1.157 461 P CA 2.097 65.188 63.100 -0.014 0.000 0.874 461 P CB -1.197 30.495 31.700 -0.013 0.000 0.790 462 P HA -0.069 nan 4.420 nan 0.000 0.221 462 P C 1.546 178.853 177.300 0.011 0.000 1.150 462 P CA 1.109 64.210 63.100 0.003 0.000 0.800 462 P CB -0.334 31.366 31.700 -0.000 0.000 0.787 463 V N 1.419 121.336 119.914 0.006 0.000 2.307 463 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 463 V C 2.736 178.854 176.094 0.041 0.000 1.045 463 V CA 2.075 64.385 62.300 0.016 0.000 1.024 463 V CB -1.228 30.593 31.823 -0.004 0.000 0.651 463 V HN 0.081 nan 8.190 nan 0.000 0.449 464 I N -0.529 120.049 120.570 0.013 0.000 2.493 464 I HA -0.166 4.004 4.170 -0.000 0.000 0.254 464 I C 2.275 178.435 176.117 0.073 0.000 1.160 464 I CA 2.059 63.373 61.300 0.023 0.000 1.445 464 I CB -0.509 37.468 38.000 -0.038 0.000 1.086 464 I HN 0.411 nan 8.210 nan 0.000 0.433 465 E N 1.297 121.523 120.200 0.044 0.000 2.077 465 E HA -0.301 4.049 4.350 -0.000 0.000 0.193 465 E C 2.313 178.945 176.600 0.054 0.000 0.989 465 E CA 0.988 57.412 56.400 0.039 0.000 0.800 465 E CB -0.122 29.589 29.700 0.018 0.000 0.746 465 E HN 0.404 nan 8.360 nan 0.000 0.452 466 R N -0.057 120.477 120.500 0.057 0.000 2.092 466 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 466 R C 2.110 178.455 176.300 0.076 0.000 1.119 466 R CA 2.186 58.318 56.100 0.052 0.000 0.970 466 R CB -0.908 29.418 30.300 0.042 0.000 0.864 466 R HN 0.402 nan 8.270 nan 0.000 0.440 467 H N 0.112 119.188 119.070 0.010 0.000 2.319 467 H HA -0.022 4.534 4.556 -0.000 0.000 0.299 467 H C 1.483 176.828 175.328 0.029 0.000 1.092 467 H CA 2.350 58.408 56.048 0.016 0.000 1.302 467 H CB -0.057 29.710 29.762 0.009 0.000 1.373 467 H HN 0.264 nan 8.280 nan 0.000 0.497 468 N N 0.159 118.966 118.700 0.178 0.000 2.188 468 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 468 N C 1.961 177.511 175.510 0.067 0.000 1.018 468 N CA 1.064 54.185 53.050 0.118 0.000 0.858 468 N CB -0.415 38.135 38.487 0.106 0.000 0.989 468 N HN 0.509 nan 8.380 nan 0.000 0.426 469 A N 1.170 124.018 122.820 0.047 0.000 1.930 469 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 469 A C 2.368 179.980 177.584 0.046 0.000 1.175 469 A CA 0.827 52.886 52.037 0.037 0.000 0.627 469 A CB -0.559 18.451 19.000 0.017 0.000 0.815 469 A HN 0.176 nan 8.150 nan 0.000 0.443 470 L N -1.029 120.195 121.223 0.002 0.000 2.131 470 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 470 L C 3.061 179.909 176.870 -0.037 0.000 1.087 470 L CA 0.806 55.632 54.840 -0.023 0.000 0.767 470 L CB -0.458 41.565 42.059 -0.061 0.000 0.917 470 L HN 0.416 nan 8.230 nan 0.000 0.441 471 A N -0.774 122.002 122.820 -0.073 0.000 1.940 471 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 471 A C 2.289 179.875 177.584 0.003 0.000 1.176 471 A CA 1.763 53.766 52.037 -0.056 0.000 0.631 471 A CB -0.874 18.094 19.000 -0.053 0.000 0.814 471 A HN 0.503 nan 8.150 nan 0.000 0.446 472 H N -0.030 119.018 119.070 -0.035 0.000 2.326 472 H HA -0.005 4.551 4.556 -0.000 0.000 0.301 472 H C 2.271 177.576 175.328 -0.039 0.000 1.081 472 H CA 1.664 57.695 56.048 -0.029 0.000 1.334 472 H CB -0.234 29.517 29.762 -0.019 0.000 1.385 472 H HN 0.393 nan 8.280 nan 0.000 0.504 473 A N 1.345 124.199 122.820 0.056 0.000 1.933 473 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 473 A C 2.555 180.079 177.584 -0.099 0.000 1.175 473 A CA 1.342 53.375 52.037 -0.007 0.000 0.628 473 A CB -0.791 18.230 19.000 0.035 0.000 0.814 473 A HN 0.427 nan 8.150 nan 0.000 0.444 474 L N 0.034 121.211 121.223 -0.076 0.000 1.976 474 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 474 L C 2.393 179.185 176.870 -0.130 0.000 1.071 474 L CA 2.191 56.991 54.840 -0.068 0.000 0.746 474 L CB -0.661 41.394 42.059 -0.006 0.000 0.890 474 L HN 0.153 nan 8.230 nan 0.000 0.432 475 V N -0.194 119.633 119.914 -0.145 0.000 2.490 475 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 475 V C 2.602 178.562 176.094 -0.224 0.000 1.061 475 V CA 1.690 63.888 62.300 -0.170 0.000 1.064 475 V CB -0.779 30.943 31.823 -0.168 0.000 0.670 475 V HN 0.566 nan 8.190 nan 0.000 0.461 476 E N 1.147 121.172 120.200 -0.291 0.000 2.051 476 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 476 E C 2.159 178.621 176.600 -0.231 0.000 0.991 476 E CA 1.718 57.955 56.400 -0.272 0.000 0.799 476 E CB -0.527 29.002 29.700 -0.286 0.000 0.748 476 E HN 0.489 nan 8.360 nan 0.000 0.449 477 A N 0.965 123.613 122.820 -0.288 0.000 1.883 477 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 477 A C 2.486 179.753 177.584 -0.529 0.000 1.186 477 A CA 2.458 54.231 52.037 -0.439 0.000 0.624 477 A CB -1.228 17.396 19.000 -0.626 0.000 0.822 477 A HN 0.417 nan 8.150 nan 0.000 0.444 478 A N 0.610 123.156 122.820 -0.457 0.000 1.858 478 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 478 A C 1.696 179.225 177.584 -0.091 0.000 1.190 478 A CA 1.411 53.352 52.037 -0.161 0.000 0.617 478 A CB -0.544 18.433 19.000 -0.038 0.000 0.827 478 A HN 0.783 nan 8.150 nan 0.000 0.443 479 R N 0.000 120.430 120.500 -0.116 0.000 2.786 479 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 479 R CA 0.000 56.050 56.100 -0.084 0.000 0.921 479 R CB 0.000 30.245 30.300 -0.092 0.000 0.687 479 R HN 0.000 nan 8.270 nan 0.000 0.535