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 3efv_1_C DATA FIRST_RESID 6 DATA SEQUENCE ATQALSVNPA TGQTLAAXPW ANAQEIEHAL SLAASGFKKW KXTSVAQRAQ DATA SEQUENCE TLRDIGQALR AHAEEXAQCI TREXGKPIKQ ARAEVTKSAA LCDWYAEHGP DATA SEQUENCE AXLNPEPTLV ENQQAVIEYR PLGVILAIXP WNFPLWQVLR GAVPILLAGN DATA SEQUENCE SYLLKHAPNV TGCAQXIARI LAEAGTPAGV YGWVNANNEG VSQXINDPRI DATA SEQUENCE AAVTVTGSVR AGAAIGAQAG AALKKCVLEL GGSDPFIVLN DADLELAVKA DATA SEQUENCE AVAGRYQNTG QVCAAAKRFI VEEGIAQAFT DRFVAAAAAL KXGDPLVEEN DATA SEQUENCE DLGPXARFDL RDELHQQVQA SVAEGARLLL GGEKIAGEGN YYAATVLADV DATA SEQUENCE TPDXTAFRQE LFGPVAAITV AKDAAHALAL ANDSEFGLSA TIFTADDTLA DATA SEQUENCE AEXAARLECG GVFINGYSAS DARVAFGGVK KSGFGRELSH FGLHEFCNVQ DATA SEQUENCE TVWKNRV 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.812 177.584 0.380 0.000 1.274 6 A CA 0.000 52.182 52.037 0.241 0.000 0.836 6 A CB 0.000 19.174 19.000 0.290 0.000 0.831 7 T N 1.491 116.144 114.554 0.166 0.000 3.057 7 T HA 0.132 4.482 4.350 -0.000 0.000 0.254 7 T C 0.561 175.063 174.700 -0.331 0.000 1.094 7 T CA 1.090 63.252 62.100 0.103 0.000 1.088 7 T CB -0.009 68.885 68.868 0.043 0.000 0.934 7 T HN 0.613 nan 8.240 nan 0.000 0.497 8 Q N 0.344 119.871 119.800 -0.455 0.000 2.413 8 Q HA 0.691 5.031 4.340 -0.000 0.000 0.276 8 Q C -0.993 174.461 176.000 -0.909 0.000 1.099 8 Q CA -0.749 54.622 55.803 -0.721 0.000 0.814 8 Q CB 2.152 30.685 28.738 -0.343 0.000 1.379 8 Q HN 0.212 nan 8.270 nan 0.000 0.436 9 A N 1.879 124.063 122.820 -1.060 0.000 2.404 9 A HA 0.413 4.733 4.320 -0.000 0.000 0.273 9 A C -0.636 176.812 177.584 -0.226 0.000 1.144 9 A CA -0.234 51.483 52.037 -0.532 0.000 0.806 9 A CB -0.098 18.708 19.000 -0.324 0.000 1.080 9 A HN 0.493 nan 8.150 nan 0.000 0.509 10 L N 2.974 124.134 121.223 -0.105 0.000 2.296 10 L HA 0.540 4.880 4.340 -0.000 0.000 0.286 10 L C -0.011 176.840 176.870 -0.030 0.000 1.023 10 L CA 0.358 55.158 54.840 -0.066 0.000 0.812 10 L CB 1.873 43.903 42.059 -0.047 0.000 1.223 10 L HN 0.537 nan 8.230 nan 0.000 0.421 11 S N 3.572 119.253 115.700 -0.031 0.000 2.462 11 S HA 0.778 5.248 4.470 -0.000 0.000 0.294 11 S C -0.783 173.807 174.600 -0.017 0.000 1.144 11 S CA -0.550 57.636 58.200 -0.024 0.000 1.088 11 S CB 1.477 64.663 63.200 -0.023 0.000 1.009 11 S HN 0.412 nan 8.310 nan 0.000 0.484 12 V N 3.659 123.567 119.914 -0.009 0.000 2.686 12 V HA 0.352 4.471 4.120 -0.000 0.000 0.306 12 V C -0.243 175.860 176.094 0.016 0.000 1.065 12 V CA -1.097 61.214 62.300 0.018 0.000 0.894 12 V CB 2.050 33.909 31.823 0.060 0.000 1.004 12 V HN 0.828 nan 8.190 nan 0.000 0.424 13 N N 7.018 125.728 118.700 0.017 0.000 2.431 13 N HA 0.166 4.906 4.740 -0.000 0.000 0.265 13 N C -1.389 174.127 175.510 0.009 0.000 1.184 13 N CA -1.561 51.486 53.050 -0.003 0.000 0.943 13 N CB 1.761 40.249 38.487 0.002 0.000 1.080 13 N HN 0.355 nan 8.380 nan 0.000 0.477 14 P HA -0.030 nan 4.420 nan 0.000 0.229 14 P C 0.657 177.809 177.300 -0.246 0.000 1.160 14 P CA 0.559 63.528 63.100 -0.219 0.000 0.777 14 P CB 0.247 31.713 31.700 -0.390 0.000 0.814 15 A N 0.444 123.174 122.820 -0.151 0.000 2.014 15 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 15 A C 2.115 179.742 177.584 0.071 0.000 1.163 15 A CA 2.216 54.210 52.037 -0.072 0.000 0.652 15 A CB -1.331 17.674 19.000 0.009 0.000 0.808 15 A HN 0.380 nan 8.150 nan 0.000 0.449 16 T N -6.500 108.096 114.554 0.071 0.000 2.955 16 T HA 0.425 4.775 4.350 -0.000 0.000 0.251 16 T C 1.446 176.218 174.700 0.120 0.000 1.002 16 T CA 1.104 63.260 62.100 0.094 0.000 0.970 16 T CB 0.339 69.241 68.868 0.057 0.000 1.091 16 T HN 1.655 nan 8.240 nan 0.000 0.495 17 G N 1.588 110.497 108.800 0.182 0.000 2.179 17 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.260 17 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 17 G C -0.118 174.802 174.900 0.033 0.000 0.977 17 G CA 0.119 45.321 45.100 0.170 0.000 0.641 17 G HN 0.679 nan 8.290 nan 0.000 0.533 18 Q N 0.940 120.762 119.800 0.038 0.000 2.230 18 Q HA 0.523 4.863 4.340 -0.000 0.000 0.253 18 Q C 0.363 176.364 176.000 0.002 0.000 0.919 18 Q CA -0.214 55.592 55.803 0.005 0.000 0.908 18 Q CB 1.058 29.800 28.738 0.006 0.000 1.245 18 Q HN 0.236 nan 8.270 nan 0.000 0.437 19 T N 2.744 117.289 114.554 -0.015 0.000 2.928 19 T HA 0.109 4.459 4.350 -0.000 0.000 0.305 19 T C 1.407 176.100 174.700 -0.013 0.000 1.035 19 T CA 0.231 62.321 62.100 -0.018 0.000 1.145 19 T CB 0.291 69.142 68.868 -0.028 0.000 0.963 19 T HN 0.407 nan 8.240 nan 0.000 0.545 20 L N 1.675 122.890 121.223 -0.014 0.000 2.362 20 L HA 0.512 4.852 4.340 -0.000 0.000 0.204 20 L C 1.094 177.955 176.870 -0.015 0.000 1.060 20 L CA 0.184 55.016 54.840 -0.012 0.000 0.827 20 L CB -0.013 42.039 42.059 -0.013 0.000 1.027 20 L HN 0.762 nan 8.230 nan 0.000 0.474 21 A N -0.954 121.854 122.820 -0.021 0.000 2.567 21 A HA 0.804 5.124 4.320 -0.000 0.000 0.291 21 A C -1.701 175.859 177.584 -0.041 0.000 1.048 21 A CA 0.086 52.108 52.037 -0.024 0.000 0.661 21 A CB 0.804 19.796 19.000 -0.013 0.000 1.288 21 A HN 0.038 nan 8.150 nan 0.000 0.424 25 W N 1.377 122.675 121.300 -0.003 0.000 2.170 25 W HA 0.475 5.135 4.660 0.000 0.000 0.342 25 W C 0.915 177.413 176.519 -0.036 0.000 1.294 25 W CA -0.509 56.828 57.345 -0.013 0.000 1.246 25 W CB 0.423 29.880 29.460 -0.005 0.000 1.156 25 W HN 0.523 nan 8.180 nan 0.000 0.572 26 A N 3.678 126.627 122.820 0.215 0.000 2.546 26 A HA 0.041 4.361 4.320 -0.000 0.000 0.243 26 A C 0.295 177.924 177.584 0.076 0.000 1.063 26 A CA -0.254 51.825 52.037 0.071 0.000 0.757 26 A CB -0.332 18.671 19.000 0.006 0.000 0.991 26 A HN 0.696 nan 8.150 nan 0.000 0.503 27 N N 1.787 120.511 118.700 0.039 0.000 2.405 27 N HA 0.501 5.241 4.740 -0.000 0.000 0.269 27 N C 1.016 176.533 175.510 0.013 0.000 1.249 27 N CA 0.033 53.102 53.050 0.031 0.000 0.974 27 N CB 0.337 38.837 38.487 0.022 0.000 1.204 27 N HN 0.507 nan 8.380 nan 0.000 0.565 28 A N -0.776 122.049 122.820 0.009 0.000 1.908 28 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 28 A C 2.076 179.662 177.584 0.004 0.000 1.181 28 A CA 1.971 54.009 52.037 0.002 0.000 0.627 28 A CB -1.221 17.780 19.000 0.001 0.000 0.818 28 A HN 0.867 nan 8.150 nan 0.000 0.445 29 Q N -0.313 119.490 119.800 0.005 0.000 2.084 29 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 29 Q C 1.851 177.867 176.000 0.026 0.000 0.978 29 Q CA 1.980 57.788 55.803 0.010 0.000 0.844 29 Q CB -0.188 28.547 28.738 -0.004 0.000 0.898 29 Q HN 0.784 nan 8.270 nan 0.000 0.426 30 E N 0.223 120.429 120.200 0.010 0.000 2.106 30 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 30 E C 2.039 178.651 176.600 0.019 0.000 0.984 30 E CA 1.198 57.608 56.400 0.017 0.000 0.806 30 E CB -0.049 29.636 29.700 -0.025 0.000 0.750 30 E HN 0.431 nan 8.360 nan 0.000 0.458 31 I N 1.075 121.641 120.570 -0.006 0.000 2.179 31 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 31 I C 2.570 178.673 176.117 -0.023 0.000 1.088 31 I CA 1.145 62.429 61.300 -0.028 0.000 1.357 31 I CB -0.098 37.883 38.000 -0.031 0.000 1.051 31 I HN 0.056 nan 8.210 nan 0.000 0.409 32 E N 0.684 120.885 120.200 0.001 0.000 2.085 32 E HA -0.328 4.022 4.350 -0.000 0.000 0.194 32 E C 2.082 178.692 176.600 0.015 0.000 0.994 32 E CA 1.905 58.308 56.400 0.005 0.000 0.801 32 E CB -0.278 29.432 29.700 0.017 0.000 0.743 32 E HN 0.584 nan 8.360 nan 0.000 0.453 33 H N -0.390 118.655 119.070 -0.041 0.000 2.353 33 H HA 0.067 4.623 4.556 -0.000 0.000 0.300 33 H C 1.782 177.080 175.328 -0.049 0.000 1.090 33 H CA 2.254 58.278 56.048 -0.040 0.000 1.327 33 H CB -0.490 29.246 29.762 -0.043 0.000 1.383 33 H HN 0.214 nan 8.280 nan 0.000 0.508 34 A N 0.776 123.477 122.820 -0.197 0.000 1.908 34 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 34 A C 2.559 180.017 177.584 -0.211 0.000 1.181 34 A CA 1.705 53.595 52.037 -0.245 0.000 0.627 34 A CB -0.945 17.963 19.000 -0.153 0.000 0.818 34 A HN 0.493 nan 8.150 nan 0.000 0.445 35 L N -0.979 120.159 121.223 -0.142 0.000 2.056 35 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 35 L C 2.925 179.736 176.870 -0.097 0.000 1.078 35 L CA 1.442 56.218 54.840 -0.108 0.000 0.749 35 L CB -0.433 41.581 42.059 -0.074 0.000 0.901 35 L HN 0.498 nan 8.230 nan 0.000 0.433 36 S N 0.110 115.748 115.700 -0.103 0.000 2.368 36 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 36 S C 1.938 176.482 174.600 -0.094 0.000 1.030 36 S CA 1.162 59.319 58.200 -0.072 0.000 0.999 36 S CB -0.180 62.996 63.200 -0.041 0.000 0.844 36 S HN 0.256 nan 8.310 nan 0.000 0.459 37 L N 1.733 122.833 121.223 -0.205 0.000 2.093 37 L HA 0.187 4.527 4.340 -0.000 0.000 0.208 37 L C 2.508 179.320 176.870 -0.097 0.000 1.085 37 L CA 1.913 56.641 54.840 -0.186 0.000 0.755 37 L CB -1.204 40.637 42.059 -0.364 0.000 0.904 37 L HN 0.344 nan 8.230 nan 0.000 0.435 38 A N -0.639 122.117 122.820 -0.106 0.000 1.902 38 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 38 A C 2.442 180.046 177.584 0.033 0.000 1.181 38 A CA 1.741 53.745 52.037 -0.055 0.000 0.623 38 A CB -1.090 17.852 19.000 -0.097 0.000 0.818 38 A HN 0.526 nan 8.150 nan 0.000 0.443 39 A N 0.303 123.140 122.820 0.030 0.000 1.902 39 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 39 A C 2.538 180.210 177.584 0.146 0.000 1.181 39 A CA 2.391 54.493 52.037 0.109 0.000 0.623 39 A CB -0.962 18.075 19.000 0.062 0.000 0.818 39 A HN 0.973 nan 8.150 nan 0.000 0.443 40 S N -0.419 115.326 115.700 0.074 0.000 2.383 40 S HA 0.040 4.510 4.470 -0.000 0.000 0.227 40 S C 2.070 176.717 174.600 0.080 0.000 1.026 40 S CA 1.279 59.519 58.200 0.066 0.000 0.981 40 S CB -1.180 62.042 63.200 0.036 0.000 0.818 40 S HN 0.667 nan 8.310 nan 0.000 0.472 41 G N 1.189 110.035 108.800 0.077 0.000 2.446 41 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 41 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 41 G C 1.205 176.213 174.900 0.180 0.000 1.168 41 G CA 0.955 46.109 45.100 0.090 0.000 0.771 41 G HN 0.518 nan 8.290 nan 0.000 0.551 42 F N 1.728 121.725 119.950 0.079 0.000 2.095 42 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 42 F C 2.559 178.453 175.800 0.156 0.000 1.104 42 F CA 2.151 60.240 58.000 0.147 0.000 1.232 42 F CB -0.300 38.757 39.000 0.096 0.000 0.987 42 F HN 0.162 nan 8.300 nan 0.000 0.475 43 K N 0.277 120.631 120.400 -0.077 0.000 2.113 43 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 43 K C 2.055 178.561 176.600 -0.156 0.000 1.047 43 K CA 1.863 58.037 56.287 -0.189 0.000 0.928 43 K CB -0.086 32.405 32.500 -0.015 0.000 0.716 43 K HN 0.320 nan 8.250 nan 0.000 0.446 44 K N -0.663 119.719 120.400 -0.029 0.000 2.098 44 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 44 K C 1.927 178.561 176.600 0.056 0.000 1.051 44 K CA 0.998 57.297 56.287 0.020 0.000 0.957 44 K CB -0.278 32.269 32.500 0.079 0.000 0.738 44 K HN 0.356 nan 8.250 nan 0.000 0.447 45 W N 4.765 126.003 121.300 -0.104 0.000 2.363 45 W HA -0.144 4.516 4.660 -0.000 0.000 0.296 45 W C 0.600 177.060 176.519 -0.098 0.000 1.212 45 W CA 1.073 58.387 57.345 -0.052 0.000 1.260 45 W CB 0.214 29.695 29.460 0.035 0.000 1.131 45 W HN -0.016 nan 8.180 nan 0.000 0.530 49 S N 0.545 116.134 115.700 -0.186 0.000 2.592 49 S HA 0.414 4.884 4.470 -0.000 0.000 0.271 49 S C 1.550 176.042 174.600 -0.180 0.000 1.326 49 S CA -0.206 57.907 58.200 -0.145 0.000 1.024 49 S CB 0.881 64.024 63.200 -0.095 0.000 0.921 49 S HN 0.916 nan 8.310 nan 0.000 0.527 50 V N 2.510 122.347 119.914 -0.128 0.000 2.392 50 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 50 V C 2.956 178.998 176.094 -0.086 0.000 1.059 50 V CA 2.231 64.466 62.300 -0.107 0.000 1.051 50 V CB -1.923 29.869 31.823 -0.051 0.000 0.658 50 V HN 1.029 nan 8.190 nan 0.000 0.455 51 A N -0.666 122.111 122.820 -0.072 0.000 1.908 51 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 51 A C 2.235 179.790 177.584 -0.049 0.000 1.181 51 A CA 1.768 53.774 52.037 -0.052 0.000 0.627 51 A CB -0.437 18.537 19.000 -0.044 0.000 0.818 51 A HN 0.544 nan 8.150 nan 0.000 0.445 52 Q N -0.416 119.337 119.800 -0.079 0.000 2.079 52 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 52 Q C 2.286 178.254 176.000 -0.054 0.000 0.974 52 Q CA 1.414 57.178 55.803 -0.065 0.000 0.840 52 Q CB -0.348 28.332 28.738 -0.097 0.000 0.898 52 Q HN 0.706 nan 8.270 nan 0.000 0.430 53 R N 0.340 120.741 120.500 -0.166 0.000 2.096 53 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 53 R C 2.237 178.589 176.300 0.086 0.000 1.127 53 R CA 1.160 57.206 56.100 -0.090 0.000 0.968 53 R CB -0.415 29.718 30.300 -0.279 0.000 0.861 53 R HN 0.179 nan 8.270 nan 0.000 0.440 54 A N 1.110 123.949 122.820 0.032 0.000 1.933 54 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 54 A C 2.150 179.770 177.584 0.061 0.000 1.175 54 A CA 1.360 53.429 52.037 0.053 0.000 0.628 54 A CB -0.333 18.676 19.000 0.015 0.000 0.814 54 A HN 0.197 nan 8.150 nan 0.000 0.444 55 Q N -0.193 119.637 119.800 0.049 0.000 2.079 55 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 55 Q C 1.973 178.025 176.000 0.086 0.000 0.974 55 Q CA 2.480 58.316 55.803 0.054 0.000 0.840 55 Q CB -0.971 27.791 28.738 0.040 0.000 0.898 55 Q HN 0.554 nan 8.270 nan 0.000 0.430 56 T N 1.132 115.767 114.554 0.135 0.000 2.720 56 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 56 T C 1.679 176.454 174.700 0.125 0.000 1.037 56 T CA 1.449 63.650 62.100 0.169 0.000 1.144 56 T CB -0.290 68.773 68.868 0.326 0.000 0.864 56 T HN 0.241 nan 8.240 nan 0.000 0.444 57 L N 0.298 121.600 121.223 0.133 0.000 2.046 57 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 57 L C 2.936 179.857 176.870 0.085 0.000 1.077 57 L CA 1.471 56.374 54.840 0.106 0.000 0.747 57 L CB -0.530 41.607 42.059 0.129 0.000 0.896 57 L HN 0.190 nan 8.230 nan 0.000 0.432 58 R N -0.023 120.523 120.500 0.077 0.000 2.091 58 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 58 R C 1.898 178.231 176.300 0.054 0.000 1.136 58 R CA 1.630 57.767 56.100 0.061 0.000 0.959 58 R CB -0.372 29.956 30.300 0.046 0.000 0.856 58 R HN 0.395 nan 8.270 nan 0.000 0.437 59 D N 0.510 120.943 120.400 0.055 0.000 2.144 59 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 59 D C 1.895 178.219 176.300 0.039 0.000 0.978 59 D CA 1.012 55.041 54.000 0.047 0.000 0.833 59 D CB -0.130 40.702 40.800 0.054 0.000 0.961 59 D HN 0.236 nan 8.370 nan 0.000 0.470 60 I N 0.965 121.555 120.570 0.032 0.000 2.179 60 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 60 I C 2.583 178.713 176.117 0.022 0.000 1.088 60 I CA 1.337 62.640 61.300 0.005 0.000 1.357 60 I CB -0.537 37.445 38.000 -0.030 0.000 1.051 60 I HN 0.014 nan 8.210 nan 0.000 0.409 61 G N -0.110 108.715 108.800 0.043 0.000 2.446 61 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 61 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 61 G C 1.566 176.496 174.900 0.049 0.000 1.168 61 G CA 0.798 45.932 45.100 0.056 0.000 0.771 61 G HN 0.409 nan 8.290 nan 0.000 0.551 62 Q N 0.092 119.918 119.800 0.044 0.000 2.061 62 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 62 Q C 2.841 178.867 176.000 0.042 0.000 0.984 62 Q CA 1.649 57.474 55.803 0.037 0.000 0.846 62 Q CB -0.315 28.442 28.738 0.032 0.000 0.902 62 Q HN 0.426 nan 8.270 nan 0.000 0.421 63 A N 0.602 123.456 122.820 0.057 0.000 1.902 63 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 63 A C 1.973 179.643 177.584 0.144 0.000 1.181 63 A CA 1.265 53.365 52.037 0.104 0.000 0.623 63 A CB -0.731 18.322 19.000 0.087 0.000 0.818 63 A HN 0.481 nan 8.150 nan 0.000 0.443 64 L N -0.022 121.254 121.223 0.088 0.000 2.012 64 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 64 L C 2.448 179.366 176.870 0.080 0.000 1.073 64 L CA 2.077 56.969 54.840 0.086 0.000 0.748 64 L CB -0.587 41.504 42.059 0.055 0.000 0.891 64 L HN 0.353 nan 8.230 nan 0.000 0.431 65 R N -0.662 119.869 120.500 0.052 0.000 2.105 65 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 65 R C 2.191 178.488 176.300 -0.006 0.000 1.135 65 R CA 1.218 57.334 56.100 0.027 0.000 0.967 65 R CB -0.616 29.697 30.300 0.021 0.000 0.861 65 R HN 0.547 nan 8.270 nan 0.000 0.442 66 A N 0.082 122.882 122.820 -0.033 0.000 2.015 66 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 66 A C 0.805 178.193 177.584 -0.327 0.000 1.163 66 A CA 1.239 53.173 52.037 -0.171 0.000 0.646 66 A CB -0.250 18.625 19.000 -0.209 0.000 0.806 66 A HN 0.382 nan 8.150 nan 0.000 0.448 67 H N -1.763 117.310 119.070 0.005 0.000 2.475 67 H HA 0.520 5.076 4.556 -0.000 0.000 0.276 67 H C 1.693 177.024 175.328 0.006 0.000 1.126 67 H CA 0.222 56.272 56.048 0.004 0.000 1.023 67 H CB 0.426 30.189 29.762 0.000 0.000 1.669 67 H HN 0.437 nan 8.280 nan 0.000 0.573 68 A N 0.695 123.556 122.820 0.068 0.000 1.877 68 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 68 A C 2.156 179.769 177.584 0.048 0.000 1.186 68 A CA 2.097 54.167 52.037 0.054 0.000 0.620 68 A CB -0.063 18.955 19.000 0.031 0.000 0.822 68 A HN 0.417 nan 8.150 nan 0.000 0.443 69 E N 0.508 120.730 120.200 0.037 0.000 2.072 69 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 69 E C 1.240 177.863 176.600 0.038 0.000 0.982 69 E CA 0.854 57.272 56.400 0.029 0.000 0.803 69 E CB -0.191 29.519 29.700 0.018 0.000 0.755 69 E HN 0.690 nan 8.360 nan 0.000 0.453 73 Q N -0.126 119.684 119.800 0.016 0.000 2.084 73 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 73 Q C 2.208 178.210 176.000 0.004 0.000 0.978 73 Q CA 1.808 57.616 55.803 0.009 0.000 0.844 73 Q CB -0.698 28.047 28.738 0.012 0.000 0.898 73 Q HN 0.775 nan 8.270 nan 0.000 0.426 74 C N 0.461 119.763 119.300 0.004 0.000 2.429 74 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 74 C C 2.751 177.736 174.990 -0.009 0.000 1.262 74 C CA 0.363 59.377 59.018 -0.006 0.000 1.733 74 C CB -1.088 26.646 27.740 -0.010 0.000 2.010 74 C HN 0.448 nan 8.230 nan 0.000 0.483 75 I N 0.385 120.956 120.570 0.001 0.000 2.127 75 I HA -0.209 3.961 4.170 -0.000 0.000 0.241 75 I C 2.683 178.795 176.117 -0.009 0.000 1.075 75 I CA 2.201 63.505 61.300 0.005 0.000 1.334 75 I CB -0.824 37.192 38.000 0.025 0.000 1.040 75 I HN 0.322 nan 8.210 nan 0.000 0.405 76 T N 0.111 114.659 114.554 -0.011 0.000 2.684 76 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 76 T C 2.027 176.709 174.700 -0.030 0.000 1.036 76 T CA 1.494 63.581 62.100 -0.021 0.000 1.148 76 T CB -0.297 68.564 68.868 -0.013 0.000 0.863 76 T HN 0.279 nan 8.240 nan 0.000 0.436 77 R N 0.965 121.452 120.500 -0.021 0.000 2.091 77 R HA -0.032 4.308 4.340 -0.000 0.000 0.238 77 R C 1.066 177.344 176.300 -0.037 0.000 1.136 77 R CA 1.135 57.221 56.100 -0.023 0.000 0.959 77 R CB 0.051 30.343 30.300 -0.014 0.000 0.856 77 R HN 0.491 nan 8.270 nan 0.000 0.437 81 K N 1.805 122.165 120.400 -0.067 0.000 2.451 81 K HA 0.333 4.653 4.320 -0.000 0.000 0.280 81 K C -2.296 174.282 176.600 -0.037 0.000 1.020 81 K CA -1.257 54.994 56.287 -0.061 0.000 1.008 81 K CB 0.579 33.032 32.500 -0.078 0.000 0.917 81 K HN -0.086 nan 8.250 nan 0.000 0.478 82 P HA -0.137 nan 4.420 nan 0.000 0.263 82 P C 0.443 177.736 177.300 -0.012 0.000 1.175 82 P CA 0.150 63.243 63.100 -0.011 0.000 0.761 82 P CB 0.377 32.072 31.700 -0.008 0.000 0.794 83 I N 4.345 124.911 120.570 -0.007 0.000 2.335 83 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 83 I C 1.785 177.900 176.117 -0.004 0.000 1.129 83 I CA 1.813 63.110 61.300 -0.004 0.000 1.402 83 I CB -0.258 37.741 38.000 -0.001 0.000 1.069 83 I HN 0.280 nan 8.210 nan 0.000 0.424 84 K N -0.314 120.081 120.400 -0.007 0.000 2.097 84 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 84 K C 2.097 178.693 176.600 -0.008 0.000 1.050 84 K CA 1.516 57.797 56.287 -0.009 0.000 0.938 84 K CB -0.151 32.341 32.500 -0.013 0.000 0.718 84 K HN 0.503 nan 8.250 nan 0.000 0.442 85 Q N -0.165 119.630 119.800 -0.008 0.000 2.123 85 Q HA -0.055 4.285 4.340 -0.000 0.000 0.199 85 Q C 2.110 178.116 176.000 0.009 0.000 0.966 85 Q CA 1.113 56.914 55.803 -0.003 0.000 0.845 85 Q CB -0.018 28.713 28.738 -0.012 0.000 0.907 85 Q HN 0.303 nan 8.270 nan 0.000 0.439 86 A N 1.313 124.135 122.820 0.003 0.000 1.898 86 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 86 A C 1.982 179.585 177.584 0.030 0.000 1.181 86 A CA 1.184 53.233 52.037 0.019 0.000 0.620 86 A CB -0.318 18.688 19.000 0.009 0.000 0.819 86 A HN 0.194 nan 8.150 nan 0.000 0.442 87 R N -0.483 120.027 120.500 0.017 0.000 2.081 87 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 87 R C 2.465 178.772 176.300 0.012 0.000 1.131 87 R CA 1.227 57.336 56.100 0.015 0.000 0.960 87 R CB -0.467 29.837 30.300 0.006 0.000 0.856 87 R HN 0.505 nan 8.270 nan 0.000 0.436 88 A N 1.101 123.921 122.820 0.001 0.000 1.933 88 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 88 A C 2.045 179.616 177.584 -0.021 0.000 1.175 88 A CA 1.525 53.549 52.037 -0.020 0.000 0.628 88 A CB -0.434 18.545 19.000 -0.034 0.000 0.814 88 A HN 0.436 nan 8.150 nan 0.000 0.444 89 E N -0.100 120.117 120.200 0.029 0.000 2.058 89 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 89 E C 1.846 178.502 176.600 0.093 0.000 0.997 89 E CA 1.667 58.115 56.400 0.081 0.000 0.801 89 E CB -0.168 29.650 29.700 0.198 0.000 0.746 89 E HN 0.324 nan 8.360 nan 0.000 0.450 90 V N 0.732 120.694 119.914 0.080 0.000 2.343 90 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 90 V C 2.413 178.545 176.094 0.064 0.000 1.051 90 V CA 2.189 64.537 62.300 0.080 0.000 1.036 90 V CB -0.832 31.027 31.823 0.061 0.000 0.654 90 V HN 0.387 nan 8.190 nan 0.000 0.451 91 T N -0.520 114.053 114.554 0.032 0.000 2.708 91 T HA -0.258 4.092 4.350 -0.000 0.000 0.266 91 T C 1.976 176.685 174.700 0.016 0.000 1.037 91 T CA 1.935 64.046 62.100 0.018 0.000 1.146 91 T CB -0.209 68.656 68.868 -0.006 0.000 0.865 91 T HN 0.441 nan 8.240 nan 0.000 0.435 92 K N 0.717 121.099 120.400 -0.031 0.000 2.057 92 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 92 K C 2.549 179.210 176.600 0.103 0.000 1.049 92 K CA 1.407 57.640 56.287 -0.089 0.000 0.931 92 K CB -0.118 32.163 32.500 -0.366 0.000 0.714 92 K HN 0.183 nan 8.250 nan 0.000 0.440 93 S N 0.581 116.410 115.700 0.216 0.000 2.368 93 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 93 S C 2.035 176.757 174.600 0.203 0.000 1.030 93 S CA 1.147 59.547 58.200 0.334 0.000 0.999 93 S CB -0.242 63.127 63.200 0.281 0.000 0.844 93 S HN 0.510 nan 8.310 nan 0.000 0.459 94 A N 1.633 124.535 122.820 0.136 0.000 1.902 94 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 94 A C 2.352 180.015 177.584 0.131 0.000 1.181 94 A CA 1.630 53.732 52.037 0.109 0.000 0.623 94 A CB -1.045 18.002 19.000 0.078 0.000 0.818 94 A HN 0.516 nan 8.150 nan 0.000 0.443 95 A N -0.584 122.314 122.820 0.130 0.000 1.969 95 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 95 A C 2.102 179.824 177.584 0.230 0.000 1.169 95 A CA 1.573 53.699 52.037 0.148 0.000 0.635 95 A CB -0.546 18.513 19.000 0.099 0.000 0.810 95 A HN 0.695 nan 8.150 nan 0.000 0.445 96 L N -0.310 121.071 121.223 0.263 0.000 2.046 96 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 96 L C 2.426 179.530 176.870 0.389 0.000 1.077 96 L CA 2.189 57.242 54.840 0.354 0.000 0.747 96 L CB -0.748 41.551 42.059 0.401 0.000 0.896 96 L HN 0.447 nan 8.230 nan 0.000 0.432 97 C N -0.020 119.439 119.300 0.265 0.000 2.413 97 C HA -0.172 4.288 4.460 -0.000 0.000 0.276 97 C C 2.380 177.509 174.990 0.232 0.000 1.236 97 C CA 1.010 60.159 59.018 0.217 0.000 1.735 97 C CB -1.151 26.666 27.740 0.129 0.000 2.031 97 C HN 0.601 nan 8.230 nan 0.000 0.474 98 D N -1.123 119.400 120.400 0.205 0.000 2.144 98 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 98 D C 1.697 178.113 176.300 0.193 0.000 0.978 98 D CA 0.997 55.094 54.000 0.162 0.000 0.833 98 D CB -0.417 40.462 40.800 0.131 0.000 0.961 98 D HN 0.759 nan 8.370 nan 0.000 0.470 99 W N 0.603 121.970 121.300 0.111 0.000 2.354 99 W HA -0.225 4.435 4.660 -0.000 0.000 0.315 99 W C 2.088 178.658 176.519 0.085 0.000 1.206 99 W CA 1.349 58.761 57.345 0.113 0.000 1.290 99 W CB -0.601 28.883 29.460 0.040 0.000 1.152 99 W HN -0.034 nan 8.180 nan 0.000 0.489 100 Y N 0.078 120.622 120.300 0.406 0.000 2.293 100 Y HA -0.164 4.386 4.550 -0.000 0.000 0.291 100 Y C 2.572 178.486 175.900 0.023 0.000 1.137 100 Y CA 1.694 59.923 58.100 0.214 0.000 1.202 100 Y CB -1.013 37.604 38.460 0.262 0.000 0.990 100 Y HN 0.034 nan 8.280 nan 0.000 0.537 101 A N 0.065 122.989 122.820 0.173 0.000 1.917 101 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 101 A C 2.108 179.643 177.584 -0.082 0.000 1.182 101 A CA 2.242 54.311 52.037 0.054 0.000 0.633 101 A CB -0.640 18.391 19.000 0.051 0.000 0.819 101 A HN 0.576 nan 8.150 nan 0.000 0.448 102 E N -1.741 118.325 120.200 -0.222 0.000 2.042 102 E HA -0.145 4.205 4.350 -0.000 0.000 0.189 102 E C 1.788 178.032 176.600 -0.594 0.000 0.974 102 E CA 0.792 56.921 56.400 -0.451 0.000 0.806 102 E CB -0.144 29.165 29.700 -0.652 0.000 0.769 102 E HN 0.766 nan 8.360 nan 0.000 0.451 103 H N -1.213 117.534 119.070 -0.537 0.000 2.582 103 H HA 0.160 4.716 4.556 -0.000 0.000 0.269 103 H C 1.898 177.005 175.328 -0.369 0.000 0.962 103 H CA 0.766 56.440 56.048 -0.625 0.000 1.230 103 H CB 0.490 29.471 29.762 -1.301 0.000 1.445 103 H HN 0.306 nan 8.280 nan 0.000 0.528 104 G N 2.363 111.101 108.800 -0.103 0.000 2.404 104 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 104 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 104 G C -0.586 174.342 174.900 0.047 0.000 1.174 104 G CA 0.199 45.368 45.100 0.114 0.000 0.780 104 G HN 0.330 nan 8.290 nan 0.000 0.537 105 P HA 0.012 nan 4.420 nan 0.000 0.216 105 P C 1.366 178.661 177.300 -0.009 0.000 1.153 105 P CA 1.472 64.569 63.100 -0.004 0.000 0.858 105 P CB -0.074 31.608 31.700 -0.031 0.000 0.789 109 N N 3.572 122.325 118.700 0.087 0.000 2.454 109 N HA 0.176 4.916 4.740 -0.000 0.000 0.254 109 N C -2.187 173.410 175.510 0.145 0.000 1.228 109 N CA -0.728 52.371 53.050 0.083 0.000 0.900 109 N CB 0.342 38.853 38.487 0.040 0.000 1.089 109 N HN 0.018 nan 8.380 nan 0.000 0.449 110 P HA 0.034 nan 4.420 nan 0.000 0.267 110 P C -0.583 176.745 177.300 0.046 0.000 1.200 110 P CA 0.240 63.377 63.100 0.061 0.000 0.772 110 P CB 0.807 32.512 31.700 0.009 0.000 0.855 111 E N 3.525 123.733 120.200 0.013 0.000 2.216 111 E HA 0.297 4.647 4.350 -0.000 0.000 0.279 111 E C -1.984 174.584 176.600 -0.053 0.000 0.997 111 E CA -2.035 54.363 56.400 -0.004 0.000 0.817 111 E CB 0.700 30.396 29.700 -0.007 0.000 1.096 111 E HN 0.417 nan 8.360 nan 0.000 0.393 112 P HA 0.012 nan 4.420 nan 0.000 0.274 112 P C -0.391 176.849 177.300 -0.101 0.000 1.246 112 P CA -0.219 62.835 63.100 -0.078 0.000 0.795 112 P CB 0.840 32.504 31.700 -0.060 0.000 1.006 113 T N -2.750 111.720 114.554 -0.139 0.000 2.888 113 T HA 0.415 4.765 4.350 -0.000 0.000 0.288 113 T C 1.127 175.737 174.700 -0.150 0.000 1.063 113 T CA -0.861 61.141 62.100 -0.162 0.000 1.010 113 T CB 0.486 69.202 68.868 -0.253 0.000 1.214 113 T HN 0.148 nan 8.240 nan 0.000 0.533 114 L N 0.757 121.895 121.223 -0.141 0.000 2.552 114 L HA 0.193 4.533 4.340 -0.000 0.000 0.227 114 L C 0.618 177.408 176.870 -0.135 0.000 1.146 114 L CA -0.141 54.632 54.840 -0.111 0.000 0.858 114 L CB -0.166 41.847 42.059 -0.076 0.000 0.969 114 L HN 0.475 nan 8.230 nan 0.000 0.451 115 V N 1.150 120.924 119.914 -0.233 0.000 2.617 115 V HA -0.111 4.009 4.120 -0.000 0.000 0.304 115 V C 0.796 176.798 176.094 -0.154 0.000 1.040 115 V CA 0.056 62.199 62.300 -0.263 0.000 1.149 115 V CB 0.237 31.684 31.823 -0.627 0.000 0.914 115 V HN 0.292 nan 8.190 nan 0.000 0.487 116 E N 3.954 124.114 120.200 -0.065 0.000 2.404 116 E HA 0.061 4.411 4.350 -0.000 0.000 0.261 116 E C 0.878 177.459 176.600 -0.031 0.000 1.074 116 E CA 0.118 56.498 56.400 -0.034 0.000 0.917 116 E CB 0.046 29.747 29.700 0.002 0.000 0.965 116 E HN 0.717 nan 8.360 nan 0.000 0.433 117 N N 1.897 120.581 118.700 -0.027 0.000 2.747 117 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 117 N C -1.048 174.447 175.510 -0.025 0.000 1.107 117 N CA 1.091 54.132 53.050 -0.015 0.000 0.707 117 N CB -1.039 37.451 38.487 0.006 0.000 1.054 117 N HN 0.629 nan 8.380 nan 0.000 0.555 118 Q N -2.354 117.415 119.800 -0.053 0.000 2.475 118 Q HA -0.262 4.078 4.340 -0.000 0.000 0.280 118 Q C 0.632 176.595 176.000 -0.062 0.000 1.234 118 Q CA 1.516 57.282 55.803 -0.063 0.000 0.873 118 Q CB -1.299 27.416 28.738 -0.039 0.000 1.256 118 Q HN 0.631 nan 8.270 nan 0.000 0.475 119 Q N -1.552 118.199 119.800 -0.082 0.000 2.398 119 Q HA 0.355 4.695 4.340 -0.000 0.000 0.204 119 Q C 0.261 176.173 176.000 -0.147 0.000 0.932 119 Q CA 1.155 56.938 55.803 -0.033 0.000 0.916 119 Q CB 0.784 29.576 28.738 0.090 0.000 1.024 119 Q HN 0.481 nan 8.270 nan 0.000 0.504 120 A N 0.335 122.947 122.820 -0.347 0.000 2.398 120 A HA 0.650 4.970 4.320 -0.000 0.000 0.301 120 A C -0.803 176.617 177.584 -0.273 0.000 1.041 120 A CA -0.504 51.267 52.037 -0.444 0.000 0.711 120 A CB 1.693 20.047 19.000 -1.076 0.000 1.240 120 A HN -0.036 nan 8.150 nan 0.000 0.420 121 V N 2.708 122.519 119.914 -0.171 0.000 3.040 121 V HA 0.541 4.661 4.120 -0.000 0.000 0.312 121 V C -0.727 175.285 176.094 -0.137 0.000 1.115 121 V CA -0.750 61.469 62.300 -0.136 0.000 0.998 121 V CB 2.046 33.818 31.823 -0.086 0.000 1.042 121 V HN 0.740 nan 8.190 nan 0.000 0.433 122 I N 2.390 122.866 120.570 -0.156 0.000 2.336 122 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 122 I C 0.055 176.011 176.117 -0.267 0.000 0.991 122 I CA -0.435 60.729 61.300 -0.227 0.000 1.227 122 I CB 1.259 39.087 38.000 -0.287 0.000 1.366 122 I HN 0.640 nan 8.210 nan 0.000 0.466 123 E N 5.414 125.452 120.200 -0.270 0.000 2.202 123 E HA 0.346 4.696 4.350 -0.000 0.000 0.272 123 E C -1.376 175.008 176.600 -0.359 0.000 0.951 123 E CA -0.687 55.585 56.400 -0.212 0.000 0.813 123 E CB 2.122 31.775 29.700 -0.078 0.000 1.151 123 E HN 0.306 nan 8.360 nan 0.000 0.398 124 Y N 1.994 122.276 120.300 -0.030 0.000 2.595 124 Y HA 0.201 4.750 4.550 -0.000 0.000 0.336 124 Y C 0.541 176.465 175.900 0.041 0.000 0.996 124 Y CA -0.585 57.506 58.100 -0.015 0.000 1.260 124 Y CB 0.531 38.974 38.460 -0.029 0.000 1.108 124 Y HN -0.004 nan 8.280 nan 0.000 0.509 125 R N 3.117 123.696 120.500 0.131 0.000 2.500 125 R HA 0.404 4.744 4.340 -0.000 0.000 0.277 125 R C -2.701 173.718 176.300 0.198 0.000 1.026 125 R CA -2.525 53.658 56.100 0.138 0.000 1.058 125 R CB 0.217 30.576 30.300 0.098 0.000 1.078 125 R HN 0.329 nan 8.270 nan 0.000 0.509 126 P HA -0.049 nan 4.420 nan 0.000 0.267 126 P C 0.459 177.950 177.300 0.317 0.000 1.200 126 P CA -0.059 63.243 63.100 0.338 0.000 0.772 126 P CB 0.547 32.528 31.700 0.467 0.000 0.855 127 L N 2.058 123.413 121.223 0.220 0.000 2.269 127 L HA 0.420 4.760 4.340 -0.000 0.000 0.200 127 L C 1.165 177.909 176.870 -0.209 0.000 1.069 127 L CA 2.165 57.055 54.840 0.083 0.000 0.804 127 L CB -0.842 41.287 42.059 0.118 0.000 0.987 127 L HN 0.711 nan 8.230 nan 0.000 0.468 128 G N -1.823 106.597 108.800 -0.633 0.000 2.403 128 G HA2 0.110 4.070 3.960 -0.000 0.000 0.223 128 G HA3 0.110 4.070 3.960 -0.000 0.000 0.223 128 G C -1.512 172.870 174.900 -0.864 0.000 1.287 128 G CA -0.255 43.982 45.100 -1.438 0.000 0.982 128 G HN -0.097 nan 8.290 nan 0.000 0.471 129 V N 1.943 121.529 119.914 -0.545 0.000 2.461 129 V HA 0.471 4.591 4.120 -0.000 0.000 0.275 129 V C 0.065 176.007 176.094 -0.255 0.000 1.047 129 V CA -0.501 61.625 62.300 -0.290 0.000 0.955 129 V CB 1.185 32.886 31.823 -0.203 0.000 0.988 129 V HN 0.491 nan 8.190 nan 0.000 0.471 130 I N 5.836 126.245 120.570 -0.268 0.000 2.321 130 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 130 I C -0.147 175.717 176.117 -0.423 0.000 0.998 130 I CA -0.873 60.209 61.300 -0.364 0.000 1.227 130 I CB 1.181 38.861 38.000 -0.533 0.000 1.368 130 I HN 0.448 nan 8.210 nan 0.000 0.466 131 L N 6.806 127.820 121.223 -0.347 0.000 2.360 131 L HA 0.581 4.921 4.340 -0.000 0.000 0.276 131 L C 0.196 176.822 176.870 -0.406 0.000 1.121 131 L CA 0.180 54.811 54.840 -0.349 0.000 0.845 131 L CB 0.688 42.617 42.059 -0.217 0.000 1.143 131 L HN 0.724 nan 8.230 nan 0.000 0.452 132 A N 6.365 128.865 122.820 -0.534 0.000 2.303 132 A HA 0.780 5.100 4.320 -0.000 0.000 0.320 132 A C -0.540 176.893 177.584 -0.252 0.000 1.192 132 A CA -0.519 51.244 52.037 -0.456 0.000 0.821 132 A CB 0.489 19.035 19.000 -0.757 0.000 1.188 132 A HN 0.713 nan 8.150 nan 0.000 0.492 136 W N 1.006 122.409 121.300 0.172 0.000 3.139 136 W HA 0.005 4.665 4.660 -0.000 0.000 0.260 136 W C 0.846 177.423 176.519 0.097 0.000 1.312 136 W CA 0.754 58.155 57.345 0.094 0.000 1.606 136 W CB -0.967 28.513 29.460 0.033 0.000 1.118 136 W HN 0.384 nan 8.180 nan 0.000 0.675 137 N N 1.944 120.485 118.700 -0.265 0.000 2.270 137 N HA -0.170 4.570 4.740 -0.000 0.000 0.181 137 N C -0.214 175.151 175.510 -0.241 0.000 1.016 137 N CA 0.756 53.687 53.050 -0.199 0.000 0.870 137 N CB -1.117 37.147 38.487 -0.372 0.000 0.979 137 N HN 0.093 nan 8.380 nan 0.000 0.431 138 F N 0.193 120.217 119.950 0.123 0.000 2.686 138 F HA 0.440 4.967 4.527 -0.000 0.000 0.365 138 F C -1.792 174.134 175.800 0.211 0.000 1.196 138 F CA -2.107 56.004 58.000 0.184 0.000 1.198 138 F CB 2.201 41.360 39.000 0.264 0.000 1.454 138 F HN -0.141 nan 8.300 nan 0.000 0.539 139 P HA -0.166 nan 4.420 nan 0.000 0.222 139 P C 1.567 179.082 177.300 0.358 0.000 1.147 139 P CA 0.959 64.256 63.100 0.329 0.000 0.790 139 P CB 0.550 32.321 31.700 0.119 0.000 0.780 140 L N -1.950 119.439 121.223 0.276 0.000 2.262 140 L HA 0.190 4.530 4.340 -0.000 0.000 0.197 140 L C 2.182 179.173 176.870 0.203 0.000 1.073 140 L CA 0.991 55.954 54.840 0.205 0.000 0.800 140 L CB -1.375 40.785 42.059 0.168 0.000 0.987 140 L HN -0.022 nan 8.230 nan 0.000 0.470 141 W N 0.560 121.928 121.300 0.113 0.000 2.358 141 W HA -0.193 4.467 4.660 -0.000 0.000 0.303 141 W C 1.918 178.430 176.519 -0.011 0.000 1.208 141 W CA 1.421 58.783 57.345 0.029 0.000 1.274 141 W CB -0.075 29.380 29.460 -0.008 0.000 1.138 141 W HN 0.328 nan 8.180 nan 0.000 0.515 142 Q N 0.548 120.299 119.800 -0.082 0.000 2.124 142 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 142 Q C 2.318 178.177 176.000 -0.235 0.000 0.977 142 Q CA 1.678 57.344 55.803 -0.228 0.000 0.850 142 Q CB -1.024 27.722 28.738 0.014 0.000 0.901 142 Q HN 0.301 nan 8.270 nan 0.000 0.429 143 V N 1.226 121.057 119.914 -0.139 0.000 2.270 143 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 143 V C 2.407 178.344 176.094 -0.262 0.000 1.043 143 V CA 1.412 63.640 62.300 -0.120 0.000 1.014 143 V CB -0.564 31.227 31.823 -0.054 0.000 0.645 143 V HN 0.266 nan 8.190 nan 0.000 0.447 144 L N -0.412 120.640 121.223 -0.285 0.000 2.156 144 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 144 L C 2.695 179.302 176.870 -0.438 0.000 1.095 144 L CA 1.325 55.969 54.840 -0.327 0.000 0.770 144 L CB -0.631 41.317 42.059 -0.185 0.000 0.914 144 L HN 0.302 nan 8.230 nan 0.000 0.439 145 R N 0.407 120.477 120.500 -0.716 0.000 2.119 145 R HA -0.187 4.153 4.340 -0.000 0.000 0.246 145 R C 2.071 178.132 176.300 -0.398 0.000 1.146 145 R CA 1.829 57.425 56.100 -0.839 0.000 0.962 145 R CB -0.278 29.304 30.300 -1.197 0.000 0.863 145 R HN 0.397 nan 8.270 nan 0.000 0.442 146 G N -1.008 107.616 108.800 -0.292 0.000 2.490 146 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.211 146 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.211 146 G C 1.439 176.222 174.900 -0.195 0.000 1.159 146 G CA 0.374 45.399 45.100 -0.124 0.000 0.819 146 G HN 0.412 nan 8.290 nan 0.000 0.539 147 A N 0.496 123.037 122.820 -0.465 0.000 1.940 147 A HA 0.073 4.393 4.320 -0.000 0.000 0.219 147 A C 2.555 179.930 177.584 -0.349 0.000 1.176 147 A CA 1.782 53.372 52.037 -0.745 0.000 0.631 147 A CB -0.619 17.661 19.000 -1.199 0.000 0.814 147 A HN 0.227 nan 8.150 nan 0.000 0.446 148 V N 1.072 120.804 119.914 -0.302 0.000 2.237 148 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 148 V C -0.024 175.897 176.094 -0.288 0.000 1.046 148 V CA 2.538 64.702 62.300 -0.226 0.000 1.007 148 V CB -1.469 30.264 31.823 -0.151 0.000 0.638 148 V HN 0.454 nan 8.190 nan 0.000 0.445 149 P HA -0.126 nan 4.420 nan 0.000 0.217 149 P C 1.858 179.109 177.300 -0.082 0.000 1.150 149 P CA 1.587 64.412 63.100 -0.458 0.000 0.832 149 P CB -0.043 31.342 31.700 -0.525 0.000 0.787 150 I N -0.555 120.009 120.570 -0.011 0.000 2.163 150 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 150 I C 2.651 178.874 176.117 0.178 0.000 1.085 150 I CA 1.362 62.729 61.300 0.112 0.000 1.347 150 I CB -0.657 37.399 38.000 0.093 0.000 1.044 150 I HN -0.137 nan 8.210 nan 0.000 0.408 151 L N -0.261 121.052 121.223 0.150 0.000 2.046 151 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 151 L C 2.611 179.758 176.870 0.462 0.000 1.077 151 L CA 1.132 56.176 54.840 0.340 0.000 0.747 151 L CB -0.610 41.570 42.059 0.202 0.000 0.896 151 L HN 0.303 nan 8.230 nan 0.000 0.432 152 L N 0.565 121.924 121.223 0.227 0.000 2.131 152 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 152 L C 2.497 179.450 176.870 0.138 0.000 1.092 152 L CA 1.826 56.763 54.840 0.162 0.000 0.759 152 L CB -0.636 41.476 42.059 0.088 0.000 0.903 152 L HN 0.147 nan 8.230 nan 0.000 0.435 153 A N -1.077 121.847 122.820 0.174 0.000 2.209 153 A HA 0.299 4.619 4.320 -0.000 0.000 0.212 153 A C 1.737 179.448 177.584 0.211 0.000 1.158 153 A CA 0.820 52.972 52.037 0.191 0.000 0.742 153 A CB -0.989 18.151 19.000 0.232 0.000 0.790 153 A HN 0.858 nan 8.150 nan 0.000 0.472 154 G N -1.014 107.936 108.800 0.250 0.000 2.141 154 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.231 154 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.231 154 G C -0.104 175.171 174.900 0.625 0.000 0.984 154 G CA 0.142 45.382 45.100 0.233 0.000 0.660 154 G HN 0.662 nan 8.290 nan 0.000 0.525 155 N N 0.071 119.118 118.700 0.578 0.000 2.463 155 N HA 0.612 5.352 4.740 -0.000 0.000 0.270 155 N C 0.266 176.036 175.510 0.433 0.000 1.205 155 N CA -0.036 53.301 53.050 0.480 0.000 0.974 155 N CB 0.872 39.485 38.487 0.210 0.000 1.197 155 N HN 0.145 nan 8.380 nan 0.000 0.504 156 S N 0.123 115.973 115.700 0.251 0.000 2.646 156 S HA 0.267 4.737 4.470 -0.000 0.000 0.276 156 S C -1.209 173.411 174.600 0.033 0.000 1.222 156 S CA -0.428 57.818 58.200 0.077 0.000 1.014 156 S CB 0.436 63.671 63.200 0.057 0.000 0.991 156 S HN 0.464 nan 8.310 nan 0.000 0.533 157 Y N 2.060 122.274 120.300 -0.144 0.000 2.338 157 Y HA 0.614 5.164 4.550 -0.000 0.000 0.333 157 Y C -1.363 174.372 175.900 -0.276 0.000 0.968 157 Y CA -1.032 56.955 58.100 -0.187 0.000 1.123 157 Y CB 0.891 39.285 38.460 -0.111 0.000 1.165 157 Y HN 0.484 nan 8.280 nan 0.000 0.452 158 L N 8.094 129.019 121.223 -0.498 0.000 2.342 158 L HA 0.529 4.869 4.340 -0.000 0.000 0.276 158 L C -1.982 174.587 176.870 -0.501 0.000 0.997 158 L CA -0.803 53.793 54.840 -0.406 0.000 0.838 158 L CB 1.206 43.098 42.059 -0.278 0.000 1.224 158 L HN 0.705 nan 8.230 nan 0.000 0.416 159 L N 5.225 126.240 121.223 -0.346 0.000 2.289 159 L HA 0.554 4.894 4.340 -0.000 0.000 0.285 159 L C -0.560 176.323 176.870 0.022 0.000 1.049 159 L CA 0.102 54.826 54.840 -0.194 0.000 0.804 159 L CB 0.712 42.787 42.059 0.027 0.000 1.195 159 L HN 0.525 nan 8.230 nan 0.000 0.428 160 K N 4.627 125.029 120.400 0.003 0.000 2.464 160 K HA 0.275 4.595 4.320 -0.000 0.000 0.252 160 K C -1.093 175.625 176.600 0.197 0.000 1.000 160 K CA -0.372 55.993 56.287 0.130 0.000 0.951 160 K CB 0.324 32.849 32.500 0.042 0.000 1.183 160 K HN 0.890 nan 8.250 nan 0.000 0.445 161 H N 0.639 119.863 119.070 0.256 0.000 2.508 161 H HA 0.445 5.001 4.556 -0.000 0.000 0.358 161 H C -0.078 175.381 175.328 0.219 0.000 1.212 161 H CA -0.574 55.595 56.048 0.201 0.000 1.356 161 H CB 1.364 31.214 29.762 0.146 0.000 1.525 161 H HN 0.725 nan 8.280 nan 0.000 0.578 162 A N 3.224 126.340 122.820 0.494 0.000 2.540 162 A HA 0.041 4.361 4.320 -0.000 0.000 0.239 162 A C -1.565 176.177 177.584 0.262 0.000 1.061 162 A CA -0.981 51.257 52.037 0.335 0.000 0.758 162 A CB -0.069 19.164 19.000 0.388 0.000 0.991 162 A HN 0.700 nan 8.150 nan 0.000 0.502 163 P HA -0.125 nan 4.420 nan 0.000 0.230 163 P C 0.544 177.931 177.300 0.145 0.000 1.158 163 P CA 1.072 64.342 63.100 0.283 0.000 0.769 163 P CB -0.032 31.921 31.700 0.422 0.000 0.807 164 N N 0.387 119.152 118.700 0.109 0.000 2.398 164 N HA -0.013 4.727 4.740 -0.000 0.000 0.188 164 N C 0.825 176.328 175.510 -0.012 0.000 1.122 164 N CA 0.415 53.478 53.050 0.021 0.000 0.866 164 N CB -0.464 37.991 38.487 -0.054 0.000 0.970 164 N HN 0.141 nan 8.380 nan 0.000 0.462 165 V N -2.579 117.319 119.914 -0.028 0.000 2.909 165 V HA 0.294 4.414 4.120 -0.000 0.000 0.362 165 V C 1.443 177.434 176.094 -0.171 0.000 1.356 165 V CA 0.115 62.336 62.300 -0.132 0.000 1.195 165 V CB -0.574 31.113 31.823 -0.227 0.000 1.256 165 V HN 0.189 nan 8.190 nan 0.000 0.567 166 T N -2.492 112.033 114.554 -0.048 0.000 2.962 166 T HA -0.008 4.342 4.350 -0.000 0.000 0.270 166 T C 1.954 176.605 174.700 -0.082 0.000 1.088 166 T CA 1.667 63.762 62.100 -0.008 0.000 1.127 166 T CB -0.359 68.635 68.868 0.210 0.000 0.883 166 T HN 0.678 nan 8.240 nan 0.000 0.493 167 G N 0.565 109.330 108.800 -0.058 0.000 2.421 167 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 167 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 167 G C 1.840 176.677 174.900 -0.106 0.000 1.171 167 G CA 0.920 45.987 45.100 -0.055 0.000 0.775 167 G HN 0.614 nan 8.290 nan 0.000 0.543 168 C N 1.011 120.236 119.300 -0.125 0.000 2.413 168 C HA 0.096 4.556 4.460 -0.000 0.000 0.276 168 C C 3.557 178.435 174.990 -0.187 0.000 1.236 168 C CA 0.939 59.884 59.018 -0.123 0.000 1.735 168 C CB -1.048 26.629 27.740 -0.106 0.000 2.031 168 C HN 0.576 nan 8.230 nan 0.000 0.474 169 A N -0.086 122.540 122.820 -0.322 0.000 1.883 169 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 169 A C 1.423 178.512 177.584 -0.825 0.000 1.186 169 A CA 1.238 52.913 52.037 -0.605 0.000 0.624 169 A CB -0.588 17.798 19.000 -1.023 0.000 0.822 169 A HN 0.780 nan 8.150 nan 0.000 0.444 173 A N 1.525 124.311 122.820 -0.057 0.000 1.908 173 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 173 A C 2.181 179.794 177.584 0.048 0.000 1.181 173 A CA 2.011 54.123 52.037 0.125 0.000 0.627 173 A CB -0.576 18.603 19.000 0.298 0.000 0.818 173 A HN 0.356 nan 8.150 nan 0.000 0.445 174 R N -0.756 119.742 120.500 -0.004 0.000 2.081 174 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 174 R C 2.055 178.300 176.300 -0.092 0.000 1.131 174 R CA 1.634 57.712 56.100 -0.036 0.000 0.960 174 R CB -0.485 29.770 30.300 -0.075 0.000 0.856 174 R HN 0.599 nan 8.270 nan 0.000 0.436 175 I N 0.557 121.041 120.570 -0.144 0.000 2.202 175 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 175 I C 1.956 178.014 176.117 -0.097 0.000 1.091 175 I CA 1.035 62.248 61.300 -0.144 0.000 1.368 175 I CB -0.170 37.749 38.000 -0.136 0.000 1.058 175 I HN 0.084 nan 8.210 nan 0.000 0.410 176 L N 0.628 121.760 121.223 -0.151 0.000 2.093 176 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 176 L C 2.641 179.470 176.870 -0.068 0.000 1.085 176 L CA 1.899 56.637 54.840 -0.170 0.000 0.755 176 L CB -1.018 40.805 42.059 -0.392 0.000 0.904 176 L HN 0.181 nan 8.230 nan 0.000 0.435 177 A N -0.675 122.132 122.820 -0.021 0.000 1.902 177 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 177 A C 2.328 179.922 177.584 0.017 0.000 1.181 177 A CA 1.683 53.733 52.037 0.020 0.000 0.623 177 A CB -0.611 18.419 19.000 0.050 0.000 0.818 177 A HN 0.506 nan 8.150 nan 0.000 0.443 178 E N 0.123 120.327 120.200 0.008 0.000 2.118 178 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 178 E C 1.807 178.429 176.600 0.035 0.000 0.992 178 E CA 1.120 57.538 56.400 0.029 0.000 0.804 178 E CB -0.272 29.454 29.700 0.042 0.000 0.741 178 E HN 0.518 nan 8.360 nan 0.000 0.458 179 A N 0.027 122.858 122.820 0.019 0.000 2.209 179 A HA 0.171 4.491 4.320 -0.000 0.000 0.212 179 A C 1.793 179.396 177.584 0.032 0.000 1.158 179 A CA 1.053 53.105 52.037 0.025 0.000 0.742 179 A CB -0.534 18.469 19.000 0.005 0.000 0.790 179 A HN 0.570 nan 8.150 nan 0.000 0.472 180 G N -1.580 107.239 108.800 0.030 0.000 2.141 180 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.231 180 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.231 180 G C 0.281 175.204 174.900 0.038 0.000 0.984 180 G CA 0.234 45.360 45.100 0.043 0.000 0.660 180 G HN 0.657 nan 8.290 nan 0.000 0.525 181 T N 3.028 117.582 114.554 0.000 0.000 2.831 181 T HA 0.404 4.754 4.350 -0.000 0.000 0.291 181 T C -1.604 173.063 174.700 -0.055 0.000 0.981 181 T CA 0.025 62.087 62.100 -0.063 0.000 1.174 181 T CB 1.104 69.913 68.868 -0.098 0.000 0.929 181 T HN 0.232 nan 8.240 nan 0.000 0.532 182 P HA 0.261 nan 4.420 nan 0.000 0.269 182 P C -0.399 176.880 177.300 -0.036 0.000 1.215 182 P CA -0.491 62.595 63.100 -0.023 0.000 0.780 182 P CB 0.344 32.060 31.700 0.027 0.000 0.898 183 A N 2.256 125.083 122.820 0.012 0.000 2.567 183 A HA 0.384 4.704 4.320 -0.000 0.000 0.240 183 A C 1.630 179.208 177.584 -0.011 0.000 1.053 183 A CA 0.849 52.898 52.037 0.019 0.000 0.755 183 A CB -1.443 17.580 19.000 0.038 0.000 0.978 183 A HN 0.891 nan 8.150 nan 0.000 0.507 184 G N 1.063 109.848 108.800 -0.025 0.000 2.304 184 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.252 184 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.252 184 G C 1.044 175.902 174.900 -0.071 0.000 1.014 184 G CA 0.770 45.837 45.100 -0.054 0.000 0.619 184 G HN 1.257 nan 8.290 nan 0.000 0.525 185 V N -0.635 119.202 119.914 -0.128 0.000 2.358 185 V HA 0.170 4.290 4.120 -0.000 0.000 0.246 185 V C 1.163 177.166 176.094 -0.151 0.000 1.047 185 V CA 2.076 64.199 62.300 -0.295 0.000 1.035 185 V CB -0.227 31.148 31.823 -0.747 0.000 0.658 185 V HN 0.571 nan 8.190 nan 0.000 0.452 186 Y N -0.354 119.847 120.300 -0.164 0.000 2.376 186 Y HA 0.684 5.234 4.550 -0.000 0.000 0.340 186 Y C 0.025 175.951 175.900 0.043 0.000 0.965 186 Y CA -0.205 57.877 58.100 -0.029 0.000 1.078 186 Y CB 1.585 40.006 38.460 -0.066 0.000 1.193 186 Y HN 0.082 nan 8.280 nan 0.000 0.452 187 G N 4.490 112.992 108.800 -0.497 0.000 2.684 187 G HA2 0.538 4.498 3.960 -0.000 0.000 0.290 187 G HA3 0.538 4.498 3.960 -0.000 0.000 0.290 187 G C -2.230 172.539 174.900 -0.218 0.000 1.425 187 G CA -0.774 44.202 45.100 -0.208 0.000 0.822 187 G HN 0.807 nan 8.290 nan 0.000 0.482 188 W N -0.731 120.442 121.300 -0.212 0.000 3.075 188 W HA 0.784 5.444 4.660 -0.000 0.000 0.334 188 W C -2.348 174.146 176.519 -0.041 0.000 1.243 188 W CA -1.502 55.760 57.345 -0.139 0.000 1.170 188 W CB 1.151 30.590 29.460 -0.035 0.000 1.452 188 W HN 0.943 nan 8.180 nan 0.000 0.572 189 V N 2.653 122.424 119.914 -0.239 0.000 2.777 189 V HA 0.262 4.382 4.120 -0.000 0.000 0.306 189 V C -0.985 174.983 176.094 -0.210 0.000 1.112 189 V CA -0.601 61.448 62.300 -0.418 0.000 0.917 189 V CB 2.001 33.693 31.823 -0.218 0.000 1.018 189 V HN 0.625 nan 8.190 nan 0.000 0.426 190 N N 5.044 123.570 118.700 -0.290 0.000 3.254 190 N HA 0.419 5.159 4.740 -0.000 0.000 0.308 190 N C 0.061 175.712 175.510 0.235 0.000 1.281 190 N CA 0.525 53.627 53.050 0.086 0.000 1.212 190 N CB 0.312 38.840 38.487 0.068 0.000 1.478 190 N HN 0.911 nan 8.380 nan 0.000 0.548 191 A N 1.766 124.667 122.820 0.135 0.000 2.354 191 A HA 0.324 4.644 4.320 -0.000 0.000 0.269 191 A C 0.582 178.123 177.584 -0.072 0.000 1.109 191 A CA -0.741 51.326 52.037 0.051 0.000 0.800 191 A CB 0.162 19.145 19.000 -0.027 0.000 1.045 191 A HN 0.772 nan 8.150 nan 0.000 0.489 192 N N 1.880 120.383 118.700 -0.328 0.000 2.322 192 N HA 0.059 4.799 4.740 -0.000 0.000 0.270 192 N C 0.365 175.631 175.510 -0.408 0.000 1.286 192 N CA -0.358 52.215 53.050 -0.795 0.000 0.948 192 N CB 0.007 37.753 38.487 -1.235 0.000 1.164 192 N HN 0.480 nan 8.380 nan 0.000 0.551 193 N N -0.140 118.329 118.700 -0.386 0.000 2.166 193 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 193 N C 1.015 176.429 175.510 -0.160 0.000 1.019 193 N CA 1.046 53.967 53.050 -0.214 0.000 0.856 193 N CB -0.252 38.131 38.487 -0.172 0.000 0.993 193 N HN 0.658 nan 8.380 nan 0.000 0.426 194 E N -0.120 119.977 120.200 -0.172 0.000 2.106 194 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 194 E C 1.997 178.537 176.600 -0.100 0.000 0.984 194 E CA 0.968 57.298 56.400 -0.117 0.000 0.806 194 E CB -0.214 29.423 29.700 -0.105 0.000 0.750 194 E HN 0.419 nan 8.360 nan 0.000 0.458 195 G N 0.942 109.672 108.800 -0.118 0.000 2.402 195 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 195 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 195 G C 1.743 176.594 174.900 -0.081 0.000 1.162 195 G CA 0.605 45.653 45.100 -0.086 0.000 0.777 195 G HN 0.106 nan 8.290 nan 0.000 0.539 196 V N 1.223 121.081 119.914 -0.093 0.000 2.295 196 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 196 V C 3.129 179.182 176.094 -0.068 0.000 1.049 196 V CA 2.277 64.530 62.300 -0.079 0.000 1.024 196 V CB -0.714 31.062 31.823 -0.079 0.000 0.648 196 V HN 0.369 nan 8.190 nan 0.000 0.447 197 S N -1.173 114.487 115.700 -0.067 0.000 2.365 197 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 197 S C 1.264 175.836 174.600 -0.048 0.000 1.039 197 S CA 1.167 59.336 58.200 -0.053 0.000 1.033 197 S CB -0.295 62.875 63.200 -0.051 0.000 0.887 197 S HN 0.713 nan 8.310 nan 0.000 0.447 201 N N 1.278 119.958 118.700 -0.032 0.000 2.461 201 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 201 N C 0.239 175.734 175.510 -0.025 0.000 1.134 201 N CA 0.198 53.233 53.050 -0.025 0.000 0.878 201 N CB 0.404 38.877 38.487 -0.022 0.000 0.972 201 N HN 0.258 nan 8.380 nan 0.000 0.456 202 D N 0.881 121.262 120.400 -0.032 0.000 2.264 202 D HA 0.061 4.701 4.640 -0.000 0.000 0.250 202 D C -1.571 174.711 176.300 -0.030 0.000 1.113 202 D CA -2.067 51.915 54.000 -0.031 0.000 0.871 202 D CB 1.607 42.384 40.800 -0.038 0.000 1.167 202 D HN 0.036 nan 8.370 nan 0.000 0.447 203 P HA -0.072 nan 4.420 nan 0.000 0.225 203 P C 0.950 178.234 177.300 -0.027 0.000 1.148 203 P CA 0.638 63.727 63.100 -0.018 0.000 0.779 203 P CB 0.327 32.023 31.700 -0.006 0.000 0.780 204 R N -0.879 119.601 120.500 -0.033 0.000 2.235 204 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 204 R C 0.806 177.055 176.300 -0.085 0.000 1.059 204 R CA 0.368 56.441 56.100 -0.046 0.000 0.997 204 R CB -0.227 30.051 30.300 -0.036 0.000 0.884 204 R HN 0.167 nan 8.270 nan 0.000 0.462 205 I N 0.898 121.419 120.570 -0.082 0.000 2.337 205 I HA 0.066 4.236 4.170 -0.000 0.000 0.291 205 I C 1.170 177.235 176.117 -0.086 0.000 1.046 205 I CA -0.070 61.168 61.300 -0.103 0.000 1.324 205 I CB 0.948 38.892 38.000 -0.094 0.000 1.409 205 I HN 0.087 nan 8.210 nan 0.000 0.494 206 A N 5.686 128.439 122.820 -0.111 0.000 1.935 206 A HA 0.544 4.864 4.320 -0.000 0.000 0.214 206 A C 1.009 178.591 177.584 -0.004 0.000 1.178 206 A CA 1.122 53.117 52.037 -0.069 0.000 0.640 206 A CB 0.176 19.108 19.000 -0.114 0.000 0.825 206 A HN 0.787 nan 8.150 nan 0.000 0.447 207 A N -2.341 120.475 122.820 -0.007 0.000 2.564 207 A HA 0.604 4.924 4.320 -0.000 0.000 0.291 207 A C -1.463 176.122 177.584 0.003 0.000 1.102 207 A CA -0.226 51.866 52.037 0.091 0.000 0.660 207 A CB 0.617 19.811 19.000 0.322 0.000 1.283 207 A HN 0.621 nan 8.150 nan 0.000 0.430 208 V N -0.065 119.905 119.914 0.093 0.000 2.841 208 V HA 0.824 4.944 4.120 -0.000 0.000 0.310 208 V C -0.240 175.893 176.094 0.065 0.000 1.090 208 V CA -0.361 61.931 62.300 -0.013 0.000 0.930 208 V CB 1.973 33.797 31.823 0.002 0.000 1.014 208 V HN 1.106 nan 8.190 nan 0.000 0.425 209 T N 2.956 117.468 114.554 -0.069 0.000 2.861 209 T HA 0.745 5.095 4.350 -0.000 0.000 0.287 209 T C -1.377 173.302 174.700 -0.036 0.000 1.003 209 T CA -0.288 61.830 62.100 0.029 0.000 0.977 209 T CB 1.404 70.275 68.868 0.005 0.000 0.996 209 T HN 0.474 nan 8.240 nan 0.000 0.448 210 V N 4.539 124.442 119.914 -0.018 0.000 2.588 210 V HA 0.594 4.714 4.120 -0.000 0.000 0.304 210 V C -0.123 175.949 176.094 -0.037 0.000 1.042 210 V CA -0.781 61.493 62.300 -0.044 0.000 0.877 210 V CB 2.178 33.966 31.823 -0.059 0.000 0.996 210 V HN 0.999 nan 8.190 nan 0.000 0.425 211 T N 3.514 118.049 114.554 -0.031 0.000 2.809 211 T HA 0.842 5.192 4.350 -0.000 0.000 0.284 211 T C 0.278 174.952 174.700 -0.043 0.000 0.992 211 T CA 0.053 62.141 62.100 -0.021 0.000 0.957 211 T CB 1.494 70.361 68.868 -0.003 0.000 0.942 211 T HN 1.251 nan 8.240 nan 0.000 0.439 212 G N 1.766 110.527 108.800 -0.064 0.000 2.335 212 G HA2 0.502 4.462 3.960 -0.000 0.000 0.291 212 G HA3 0.502 4.462 3.960 -0.000 0.000 0.291 212 G C -0.649 174.180 174.900 -0.119 0.000 1.261 212 G CA -0.397 44.641 45.100 -0.103 0.000 0.871 212 G HN 0.852 nan 8.290 nan 0.000 0.491 213 S N -0.702 114.927 115.700 -0.118 0.000 2.614 213 S HA 0.431 4.901 4.470 -0.000 0.000 0.265 213 S C 1.573 176.151 174.600 -0.036 0.000 1.303 213 S CA 0.201 58.343 58.200 -0.097 0.000 1.000 213 S CB 1.470 64.620 63.200 -0.084 0.000 0.935 213 S HN 1.184 nan 8.310 nan 0.000 0.551 214 V N 1.731 121.653 119.914 0.013 0.000 2.317 214 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 214 V C 2.891 178.978 176.094 -0.011 0.000 1.065 214 V CA 2.546 64.853 62.300 0.011 0.000 1.049 214 V CB -1.198 30.646 31.823 0.036 0.000 0.651 214 V HN 0.983 nan 8.190 nan 0.000 0.450 215 R N 0.173 120.671 120.500 -0.004 0.000 2.081 215 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 215 R C 2.294 178.586 176.300 -0.013 0.000 1.131 215 R CA 1.691 57.787 56.100 -0.006 0.000 0.960 215 R CB -0.475 29.827 30.300 0.003 0.000 0.856 215 R HN 0.479 nan 8.270 nan 0.000 0.436 216 A N 0.265 123.075 122.820 -0.018 0.000 1.877 216 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 216 A C 2.394 179.960 177.584 -0.031 0.000 1.186 216 A CA 1.686 53.710 52.037 -0.022 0.000 0.620 216 A CB -1.349 17.636 19.000 -0.025 0.000 0.822 216 A HN 0.591 nan 8.150 nan 0.000 0.443 217 G N -0.533 108.242 108.800 -0.042 0.000 2.418 217 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.217 217 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.217 217 G C 1.757 176.635 174.900 -0.036 0.000 1.158 217 G CA 1.568 46.632 45.100 -0.062 0.000 0.771 217 G HN 0.813 nan 8.290 nan 0.000 0.545 218 A N 1.163 123.970 122.820 -0.021 0.000 1.877 218 A HA 0.260 4.580 4.320 -0.000 0.000 0.216 218 A C 2.826 180.411 177.584 0.002 0.000 1.186 218 A CA 2.343 54.380 52.037 -0.001 0.000 0.620 218 A CB -0.822 18.175 19.000 -0.005 0.000 0.822 218 A HN 0.801 nan 8.150 nan 0.000 0.443 219 A N -0.369 122.447 122.820 -0.007 0.000 1.898 219 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 219 A C 2.116 179.695 177.584 -0.009 0.000 1.181 219 A CA 1.571 53.603 52.037 -0.009 0.000 0.620 219 A CB -0.519 18.471 19.000 -0.016 0.000 0.819 219 A HN 0.491 nan 8.150 nan 0.000 0.442 220 I N -0.700 119.863 120.570 -0.012 0.000 2.333 220 I HA -0.063 4.107 4.170 -0.000 0.000 0.246 220 I C 2.686 178.810 176.117 0.011 0.000 1.106 220 I CA 0.866 62.160 61.300 -0.011 0.000 1.411 220 I CB -0.523 37.463 38.000 -0.023 0.000 1.082 220 I HN 0.360 nan 8.210 nan 0.000 0.420 221 G N 0.737 109.552 108.800 0.024 0.000 2.440 221 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 221 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 221 G C 1.867 176.811 174.900 0.074 0.000 1.154 221 G CA 0.889 46.036 45.100 0.078 0.000 0.767 221 G HN 0.472 nan 8.290 nan 0.000 0.552 222 A N 0.398 123.245 122.820 0.045 0.000 1.908 222 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 222 A C 2.356 179.953 177.584 0.021 0.000 1.181 222 A CA 1.998 54.053 52.037 0.031 0.000 0.627 222 A CB -0.402 18.608 19.000 0.017 0.000 0.818 222 A HN 0.488 nan 8.150 nan 0.000 0.445 223 Q N -0.780 119.028 119.800 0.014 0.000 2.083 223 Q HA -0.015 4.325 4.340 -0.000 0.000 0.198 223 Q C 2.461 178.468 176.000 0.012 0.000 0.969 223 Q CA 1.171 56.977 55.803 0.005 0.000 0.838 223 Q CB -0.362 28.372 28.738 -0.007 0.000 0.900 223 Q HN 0.670 nan 8.270 nan 0.000 0.436 224 A N 1.224 124.060 122.820 0.025 0.000 1.877 224 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 224 A C 2.321 179.929 177.584 0.039 0.000 1.186 224 A CA 1.661 53.719 52.037 0.036 0.000 0.620 224 A CB -1.320 17.717 19.000 0.062 0.000 0.822 224 A HN 0.470 nan 8.150 nan 0.000 0.443 225 G N -0.396 108.432 108.800 0.046 0.000 2.446 225 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 225 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 225 G C 1.735 176.645 174.900 0.016 0.000 1.168 225 G CA 1.580 46.699 45.100 0.032 0.000 0.771 225 G HN 0.872 nan 8.290 nan 0.000 0.551 226 A N 0.710 123.538 122.820 0.013 0.000 2.019 226 A HA 0.361 4.681 4.320 -0.000 0.000 0.219 226 A C 2.515 180.101 177.584 0.004 0.000 1.164 226 A CA 2.007 54.047 52.037 0.005 0.000 0.644 226 A CB -0.380 18.621 19.000 0.002 0.000 0.805 226 A HN 0.863 nan 8.150 nan 0.000 0.449 227 A N -1.260 121.564 122.820 0.006 0.000 2.275 227 A HA 0.521 4.841 4.320 -0.000 0.000 0.212 227 A C 0.907 178.495 177.584 0.007 0.000 1.201 227 A CA 0.311 52.350 52.037 0.003 0.000 0.843 227 A CB -0.605 18.395 19.000 -0.000 0.000 0.873 227 A HN 0.837 nan 8.150 nan 0.000 0.492 228 L N -1.578 119.652 121.223 0.011 0.000 3.865 228 L HA -0.220 4.120 4.340 -0.000 0.000 0.408 228 L C -0.360 176.523 176.870 0.020 0.000 1.209 228 L CA 0.670 55.517 54.840 0.012 0.000 0.940 228 L CB -1.894 40.169 42.059 0.007 0.000 1.971 228 L HN 0.403 nan 8.230 nan 0.000 0.899 229 K N 0.569 120.987 120.400 0.031 0.000 2.270 229 K HA 0.514 4.834 4.320 -0.000 0.000 0.255 229 K C 0.049 176.695 176.600 0.077 0.000 0.936 229 K CA -0.868 55.447 56.287 0.047 0.000 0.809 229 K CB 2.443 34.966 32.500 0.038 0.000 1.131 229 K HN -0.010 nan 8.250 nan 0.000 0.427 230 K N 2.117 122.576 120.400 0.099 0.000 2.295 230 K HA 0.204 4.524 4.320 -0.000 0.000 0.270 230 K C -0.557 176.167 176.600 0.206 0.000 1.011 230 K CA -0.368 55.993 56.287 0.123 0.000 0.953 230 K CB 0.429 32.983 32.500 0.090 0.000 0.956 230 K HN 0.832 nan 8.250 nan 0.000 0.477 231 C N 0.414 119.866 119.300 0.253 0.000 2.898 231 C HA 0.688 5.148 4.460 -0.000 0.000 0.304 231 C C -0.606 174.567 174.990 0.305 0.000 1.237 231 C CA -1.121 58.073 59.018 0.293 0.000 1.529 231 C CB 0.734 28.599 27.740 0.207 0.000 2.021 231 C HN 0.436 nan 8.230 nan 0.000 0.474 232 V N 2.548 122.609 119.914 0.245 0.000 2.398 232 V HA 0.531 4.651 4.120 -0.000 0.000 0.286 232 V C -0.228 175.808 176.094 -0.097 0.000 1.026 232 V CA -0.256 62.103 62.300 0.098 0.000 0.868 232 V CB 1.431 33.373 31.823 0.199 0.000 0.982 232 V HN 0.800 nan 8.190 nan 0.000 0.443 233 L N 5.019 125.997 121.223 -0.407 0.000 2.342 233 L HA 0.581 4.921 4.340 -0.000 0.000 0.276 233 L C -0.263 176.448 176.870 -0.264 0.000 0.997 233 L CA -0.408 54.190 54.840 -0.404 0.000 0.838 233 L CB 1.709 43.346 42.059 -0.704 0.000 1.224 233 L HN 0.530 nan 8.230 nan 0.000 0.416 234 E N 5.697 125.831 120.200 -0.110 0.000 2.121 234 E HA 0.481 4.831 4.350 -0.000 0.000 0.255 234 E C -0.550 176.041 176.600 -0.016 0.000 0.906 234 E CA -0.185 56.200 56.400 -0.025 0.000 0.745 234 E CB 2.073 31.822 29.700 0.083 0.000 1.155 234 E HN 0.524 nan 8.360 nan 0.000 0.424 235 L N -0.020 121.188 121.223 -0.026 0.000 2.664 235 L HA 0.608 4.948 4.340 -0.000 0.000 0.253 235 L C 1.230 178.123 176.870 0.038 0.000 1.293 235 L CA -1.253 53.581 54.840 -0.010 0.000 1.280 235 L CB 0.075 42.122 42.059 -0.020 0.000 1.993 235 L HN 0.379 nan 8.230 nan 0.000 0.577 236 G N -1.263 107.585 108.800 0.081 0.000 2.684 236 G HA2 0.458 4.418 3.960 -0.000 0.000 0.255 236 G HA3 0.458 4.418 3.960 -0.000 0.000 0.255 236 G C -0.418 174.504 174.900 0.037 0.000 1.219 236 G CA 0.302 45.425 45.100 0.038 0.000 0.901 236 G HN 0.761 nan 8.290 nan 0.000 0.548 237 G N -2.176 106.481 108.800 -0.237 0.000 2.672 237 G HA2 0.474 4.434 3.960 -0.000 0.000 0.292 237 G HA3 0.474 4.434 3.960 -0.000 0.000 0.292 237 G C -0.807 173.702 174.900 -0.652 0.000 1.375 237 G CA 0.025 44.949 45.100 -0.294 0.000 0.890 237 G HN 0.985 nan 8.290 nan 0.000 0.476 238 S N 0.498 115.896 115.700 -0.503 0.000 2.235 238 S HA 0.298 4.768 4.470 -0.000 0.000 0.152 238 S C -0.990 173.458 174.600 -0.253 0.000 1.649 238 S CA -0.626 57.318 58.200 -0.426 0.000 1.277 238 S CB -0.252 62.676 63.200 -0.454 0.000 1.299 238 S HN 0.460 nan 8.310 nan 0.000 0.388 239 D N 4.741 125.022 120.400 -0.199 0.000 2.425 239 D HA 0.234 4.874 4.640 -0.000 0.000 0.247 239 D C -2.118 174.070 176.300 -0.187 0.000 1.147 239 D CA -0.940 52.977 54.000 -0.137 0.000 0.879 239 D CB 0.929 41.686 40.800 -0.072 0.000 1.179 239 D HN 0.324 nan 8.370 nan 0.000 0.456 240 P HA 0.229 nan 4.420 nan 0.000 0.278 240 P C -0.954 176.310 177.300 -0.061 0.000 1.238 240 P CA -0.528 62.481 63.100 -0.152 0.000 0.794 240 P CB 0.578 32.212 31.700 -0.110 0.000 0.955 241 F N 3.397 123.196 119.950 -0.253 0.000 2.610 241 F HA 0.474 5.001 4.527 -0.000 0.000 0.355 241 F C -0.675 175.095 175.800 -0.050 0.000 1.140 241 F CA -0.937 56.991 58.000 -0.121 0.000 1.037 241 F CB 0.615 39.489 39.000 -0.209 0.000 1.287 241 F HN 0.089 nan 8.300 nan 0.000 0.457 242 I N 6.558 127.097 120.570 -0.052 0.000 2.353 242 I HA 0.397 4.567 4.170 -0.000 0.000 0.293 242 I C -0.848 175.265 176.117 -0.006 0.000 0.992 242 I CA -0.933 60.355 61.300 -0.020 0.000 1.268 242 I CB 1.586 39.557 38.000 -0.048 0.000 1.387 242 I HN 0.223 nan 8.210 nan 0.000 0.478 243 V N 7.417 127.328 119.914 -0.006 0.000 2.409 243 V HA 0.395 4.515 4.120 -0.000 0.000 0.290 243 V C 0.134 176.227 176.094 -0.001 0.000 1.017 243 V CA -0.547 61.757 62.300 0.008 0.000 0.841 243 V CB 1.324 33.064 31.823 -0.138 0.000 1.003 243 V HN 0.513 nan 8.190 nan 0.000 0.426 244 L N 2.990 124.237 121.223 0.040 0.000 2.431 244 L HA 0.485 4.825 4.340 -0.000 0.000 0.260 244 L C 1.469 178.367 176.870 0.047 0.000 1.098 244 L CA -0.727 54.133 54.840 0.033 0.000 0.800 244 L CB 0.694 42.770 42.059 0.029 0.000 1.210 244 L HN 0.495 nan 8.230 nan 0.000 0.465 245 N N 1.173 119.898 118.700 0.041 0.000 2.192 245 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 245 N C 0.836 176.380 175.510 0.056 0.000 1.013 245 N CA 1.326 54.404 53.050 0.047 0.000 0.863 245 N CB -0.307 38.203 38.487 0.040 0.000 0.990 245 N HN 0.643 nan 8.380 nan 0.000 0.430 246 D N -0.594 119.840 120.400 0.056 0.000 2.336 246 D HA 0.154 4.794 4.640 -0.000 0.000 0.228 246 D C 0.206 176.556 176.300 0.083 0.000 1.120 246 D CA -0.304 53.732 54.000 0.060 0.000 0.839 246 D CB -0.427 40.400 40.800 0.045 0.000 0.932 246 D HN 0.066 nan 8.370 nan 0.000 0.509 247 A N 0.518 123.404 122.820 0.110 0.000 2.425 247 A HA 0.166 4.486 4.320 -0.000 0.000 0.242 247 A C 0.336 178.020 177.584 0.167 0.000 1.077 247 A CA -0.369 51.773 52.037 0.174 0.000 0.781 247 A CB 0.222 19.353 19.000 0.218 0.000 1.020 247 A HN 0.144 nan 8.150 nan 0.000 0.494 248 D N 1.741 122.276 120.400 0.225 0.000 2.357 248 D HA 0.050 4.690 4.640 -0.000 0.000 0.265 248 D C 0.913 177.300 176.300 0.145 0.000 1.334 248 D CA -0.223 53.890 54.000 0.188 0.000 0.984 248 D CB 0.217 41.155 40.800 0.231 0.000 1.077 248 D HN 0.376 nan 8.370 nan 0.000 0.514 249 L N 4.527 125.812 121.223 0.103 0.000 2.046 249 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 249 L C 1.901 178.792 176.870 0.036 0.000 1.077 249 L CA 1.746 56.636 54.840 0.085 0.000 0.747 249 L CB -0.332 41.782 42.059 0.091 0.000 0.896 249 L HN 0.412 nan 8.230 nan 0.000 0.432 250 E N -0.781 119.439 120.200 0.034 0.000 2.058 250 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 250 E C 2.124 178.724 176.600 0.001 0.000 0.997 250 E CA 1.509 57.916 56.400 0.012 0.000 0.801 250 E CB -0.361 29.357 29.700 0.029 0.000 0.746 250 E HN 0.389 nan 8.360 nan 0.000 0.450 251 L N 0.947 122.191 121.223 0.035 0.000 2.056 251 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 251 L C 2.216 178.948 176.870 -0.230 0.000 1.078 251 L CA 1.841 56.709 54.840 0.047 0.000 0.749 251 L CB -0.633 41.578 42.059 0.252 0.000 0.901 251 L HN 0.016 nan 8.230 nan 0.000 0.433 252 A N -1.116 121.403 122.820 -0.502 0.000 1.908 252 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 252 A C 2.272 179.736 177.584 -0.201 0.000 1.181 252 A CA 2.119 53.597 52.037 -0.932 0.000 0.627 252 A CB -1.120 17.562 19.000 -0.530 0.000 0.818 252 A HN 0.295 nan 8.150 nan 0.000 0.445 253 V N 0.076 119.939 119.914 -0.086 0.000 2.295 253 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 253 V C 2.469 178.480 176.094 -0.138 0.000 1.049 253 V CA 2.372 64.592 62.300 -0.133 0.000 1.024 253 V CB -0.690 31.005 31.823 -0.212 0.000 0.648 253 V HN 0.549 nan 8.190 nan 0.000 0.447 254 K N 0.269 120.613 120.400 -0.094 0.000 2.032 254 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 254 K C 2.310 178.903 176.600 -0.011 0.000 1.048 254 K CA 1.640 57.920 56.287 -0.012 0.000 0.927 254 K CB -0.473 32.083 32.500 0.095 0.000 0.712 254 K HN 0.472 nan 8.250 nan 0.000 0.441 255 A N 1.363 124.053 122.820 -0.215 0.000 1.933 255 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 255 A C 2.338 179.935 177.584 0.021 0.000 1.175 255 A CA 1.799 53.647 52.037 -0.313 0.000 0.628 255 A CB -0.615 18.275 19.000 -0.184 0.000 0.814 255 A HN 0.355 nan 8.150 nan 0.000 0.444 256 A N -0.570 122.167 122.820 -0.139 0.000 1.873 256 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 256 A C 2.234 179.864 177.584 0.076 0.000 1.186 256 A CA 1.779 53.615 52.037 -0.335 0.000 0.616 256 A CB -0.895 17.899 19.000 -0.345 0.000 0.823 256 A HN 0.368 nan 8.150 nan 0.000 0.442 257 V N -0.166 119.735 119.914 -0.022 0.000 2.307 257 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 257 V C 3.066 179.251 176.094 0.153 0.000 1.045 257 V CA 1.892 64.168 62.300 -0.039 0.000 1.024 257 V CB -1.230 30.442 31.823 -0.252 0.000 0.651 257 V HN 0.607 nan 8.190 nan 0.000 0.449 258 A N 0.528 123.440 122.820 0.153 0.000 1.902 258 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 258 A C 2.409 180.105 177.584 0.187 0.000 1.181 258 A CA 2.011 54.170 52.037 0.205 0.000 0.623 258 A CB -1.239 17.968 19.000 0.345 0.000 0.818 258 A HN 0.528 nan 8.150 nan 0.000 0.443 259 G N -0.476 108.440 108.800 0.192 0.000 2.421 259 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 259 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 259 G C 1.730 176.678 174.900 0.080 0.000 1.171 259 G CA 1.303 46.500 45.100 0.160 0.000 0.775 259 G HN 0.552 nan 8.290 nan 0.000 0.543 260 R N -0.545 119.998 120.500 0.072 0.000 2.073 260 R HA 0.050 4.390 4.340 -0.000 0.000 0.229 260 R C 1.850 177.966 176.300 -0.306 0.000 1.120 260 R CA 1.123 57.131 56.100 -0.153 0.000 0.967 260 R CB -0.569 29.610 30.300 -0.202 0.000 0.862 260 R HN 0.440 nan 8.270 nan 0.000 0.436 261 Y N 0.382 120.724 120.300 0.070 0.000 2.449 261 Y HA 0.315 4.865 4.550 -0.000 0.000 0.254 261 Y C 0.395 176.295 175.900 -0.001 0.000 1.140 261 Y CA -0.333 57.778 58.100 0.018 0.000 1.272 261 Y CB 0.123 38.571 38.460 -0.020 0.000 1.114 261 Y HN -0.037 nan 8.280 nan 0.000 0.525 262 Q N 1.434 121.303 119.800 0.116 0.000 2.349 262 Q HA -0.097 4.243 4.340 -0.000 0.000 0.287 262 Q C 0.477 176.493 176.000 0.027 0.000 1.044 262 Q CA 0.357 56.205 55.803 0.075 0.000 0.918 262 Q CB 0.305 29.093 28.738 0.083 0.000 1.242 262 Q HN 0.385 nan 8.270 nan 0.000 0.405 263 N N 0.926 119.622 118.700 -0.006 0.000 2.721 263 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 263 N C -0.946 174.523 175.510 -0.069 0.000 1.072 263 N CA 1.294 54.290 53.050 -0.089 0.000 0.710 263 N CB -1.215 37.142 38.487 -0.216 0.000 0.993 263 N HN 0.768 nan 8.380 nan 0.000 0.547 264 T N -1.917 112.637 114.554 -0.001 0.000 3.996 264 T HA -0.122 4.228 4.350 -0.000 0.000 0.348 264 T C 1.380 176.077 174.700 -0.005 0.000 0.757 264 T CA 1.890 64.012 62.100 0.037 0.000 1.898 264 T CB -1.947 66.931 68.868 0.015 0.000 1.861 264 T HN 1.620 nan 8.240 nan 0.000 0.821 265 G N 0.170 108.938 108.800 -0.054 0.000 2.179 265 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 265 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 265 G C 0.062 174.706 174.900 -0.426 0.000 0.977 265 G CA 0.405 45.400 45.100 -0.174 0.000 0.641 265 G HN 0.718 nan 8.290 nan 0.000 0.533 266 Q N 0.458 119.955 119.800 -0.505 0.000 3.247 266 Q HA 0.512 4.852 4.340 -0.000 0.000 0.326 266 Q C -0.358 175.137 176.000 -0.841 0.000 1.402 266 Q CA -0.051 55.087 55.803 -1.108 0.000 0.994 266 Q CB 0.987 29.487 28.738 -0.396 0.000 1.647 266 Q HN 0.312 nan 8.270 nan 0.000 0.523 267 V N 0.011 119.558 119.914 -0.612 0.000 2.638 267 V HA 0.055 4.175 4.120 -0.000 0.000 0.306 267 V C 1.095 177.308 176.094 0.198 0.000 1.052 267 V CA -0.945 61.371 62.300 0.027 0.000 0.885 267 V CB 1.351 33.238 31.823 0.107 0.000 0.999 267 V HN 0.782 nan 8.190 nan 0.000 0.424 268 C N 2.129 121.659 119.300 0.384 0.000 2.413 268 C HA 0.001 4.461 4.460 -0.000 0.000 0.276 268 C C 1.986 177.080 174.990 0.174 0.000 1.236 268 C CA 0.997 60.206 59.018 0.317 0.000 1.735 268 C CB -1.061 26.841 27.740 0.270 0.000 2.031 268 C HN 0.972 nan 8.230 nan 0.000 0.474 269 A N 0.947 123.887 122.820 0.200 0.000 2.476 269 A HA 0.676 4.996 4.320 -0.000 0.000 0.263 269 A C 1.085 178.710 177.584 0.067 0.000 1.342 269 A CA 0.513 52.634 52.037 0.140 0.000 0.926 269 A CB -1.047 18.114 19.000 0.268 0.000 1.019 269 A HN 0.930 nan 8.150 nan 0.000 0.515 270 A N 0.088 122.926 122.820 0.030 0.000 2.466 270 A HA 0.517 4.837 4.320 -0.000 0.000 0.238 270 A C 0.884 178.433 177.584 -0.058 0.000 1.074 270 A CA 0.280 52.305 52.037 -0.021 0.000 0.774 270 A CB -0.044 18.907 19.000 -0.082 0.000 1.015 270 A HN 1.491 nan 8.150 nan 0.000 0.498 271 A N 1.526 124.315 122.820 -0.052 0.000 2.438 271 A HA 0.381 4.701 4.320 -0.000 0.000 0.280 271 A C 0.885 178.230 177.584 -0.400 0.000 1.160 271 A CA 0.049 51.971 52.037 -0.192 0.000 0.821 271 A CB -0.103 18.835 19.000 -0.102 0.000 1.101 271 A HN 0.848 nan 8.150 nan 0.000 0.515 272 K N 1.795 121.930 120.400 -0.441 0.000 2.387 272 K HA 0.104 4.424 4.320 -0.000 0.000 0.197 272 K C 0.125 176.459 176.600 -0.444 0.000 1.127 272 K CA 0.408 56.475 56.287 -0.366 0.000 0.950 272 K CB 0.616 32.963 32.500 -0.254 0.000 1.017 272 K HN 0.651 nan 8.250 nan 0.000 0.519 273 R N 1.263 121.439 120.500 -0.540 0.000 2.320 273 R HA 0.285 4.625 4.340 -0.000 0.000 0.319 273 R C -1.262 174.759 176.300 -0.464 0.000 0.969 273 R CA -0.459 55.388 56.100 -0.422 0.000 0.857 273 R CB 0.648 30.672 30.300 -0.460 0.000 1.160 273 R HN -0.114 nan 8.270 nan 0.000 0.491 274 F N 3.881 123.780 119.950 -0.085 0.000 2.424 274 F HA 0.343 4.870 4.527 -0.000 0.000 0.356 274 F C 0.650 176.401 175.800 -0.081 0.000 1.110 274 F CA -0.415 57.524 58.000 -0.103 0.000 1.161 274 F CB 0.718 39.580 39.000 -0.231 0.000 1.115 274 F HN 0.256 nan 8.300 nan 0.000 0.507 275 I N 5.267 125.870 120.570 0.054 0.000 2.390 275 I HA 0.340 4.510 4.170 -0.000 0.000 0.283 275 I C -0.938 175.150 176.117 -0.049 0.000 1.016 275 I CA -0.913 60.395 61.300 0.013 0.000 1.151 275 I CB 1.192 39.198 38.000 0.009 0.000 1.293 275 I HN 0.318 nan 8.210 nan 0.000 0.458 276 V N 2.125 121.993 119.914 -0.076 0.000 2.487 276 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 276 V C -0.132 175.934 176.094 -0.046 0.000 1.028 276 V CA -0.768 61.456 62.300 -0.127 0.000 0.860 276 V CB 1.648 33.325 31.823 -0.243 0.000 0.991 276 V HN 0.738 nan 8.190 nan 0.000 0.427 277 E N 3.059 123.243 120.200 -0.027 0.000 2.413 277 E HA 0.076 4.426 4.350 -0.000 0.000 0.263 277 E C 0.959 177.575 176.600 0.026 0.000 1.015 277 E CA -0.051 56.356 56.400 0.011 0.000 0.916 277 E CB 0.733 30.445 29.700 0.020 0.000 0.947 277 E HN 0.827 nan 8.360 nan 0.000 0.440 278 E N 2.799 123.023 120.200 0.041 0.000 2.108 278 E HA -0.265 4.085 4.350 -0.000 0.000 0.203 278 E C 1.696 178.322 176.600 0.043 0.000 1.022 278 E CA 1.653 58.080 56.400 0.045 0.000 0.823 278 E CB -0.302 29.425 29.700 0.047 0.000 0.744 278 E HN 0.839 nan 8.360 nan 0.000 0.456 279 G N 0.709 109.533 108.800 0.041 0.000 2.432 279 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 279 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 279 G C 1.569 176.499 174.900 0.050 0.000 1.135 279 G CA 0.445 45.570 45.100 0.042 0.000 0.767 279 G HN 0.288 nan 8.290 nan 0.000 0.550 280 I N -0.049 120.555 120.570 0.056 0.000 4.057 280 I HA 0.337 4.507 4.170 -0.000 0.000 0.334 280 I C 2.687 178.869 176.117 0.108 0.000 1.308 280 I CA 0.603 61.950 61.300 0.079 0.000 1.125 280 I CB 0.265 38.312 38.000 0.079 0.000 1.034 280 I HN 0.167 nan 8.210 nan 0.000 0.401 281 A N 0.645 123.515 122.820 0.083 0.000 1.873 281 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 281 A C 2.159 179.827 177.584 0.140 0.000 1.193 281 A CA 2.315 54.412 52.037 0.101 0.000 0.629 281 A CB -0.644 18.395 19.000 0.065 0.000 0.826 281 A HN 0.509 nan 8.150 nan 0.000 0.447 282 Q N -0.598 119.261 119.800 0.097 0.000 2.079 282 Q HA 0.035 4.375 4.340 -0.000 0.000 0.200 282 Q C 2.125 178.175 176.000 0.082 0.000 0.974 282 Q CA 2.062 57.913 55.803 0.081 0.000 0.840 282 Q CB -0.618 28.153 28.738 0.054 0.000 0.898 282 Q HN 0.574 nan 8.270 nan 0.000 0.430 283 A N -0.329 122.544 122.820 0.088 0.000 1.877 283 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 283 A C 2.028 179.663 177.584 0.084 0.000 1.186 283 A CA 1.461 53.542 52.037 0.072 0.000 0.620 283 A CB -1.085 17.959 19.000 0.073 0.000 0.822 283 A HN 0.563 nan 8.150 nan 0.000 0.443 284 F N 1.366 121.318 119.950 0.003 0.000 2.095 284 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 284 F C 2.493 178.292 175.800 -0.002 0.000 1.104 284 F CA 2.440 60.436 58.000 -0.007 0.000 1.232 284 F CB -0.663 38.326 39.000 -0.018 0.000 0.987 284 F HN 0.214 nan 8.300 nan 0.000 0.475 285 T N 0.249 114.879 114.554 0.128 0.000 2.708 285 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 285 T C 1.461 176.139 174.700 -0.037 0.000 1.037 285 T CA 1.664 63.785 62.100 0.035 0.000 1.146 285 T CB -0.479 68.448 68.868 0.099 0.000 0.865 285 T HN 0.280 nan 8.240 nan 0.000 0.435 286 D N 0.952 121.339 120.400 -0.022 0.000 2.104 286 D HA -0.065 4.575 4.640 -0.000 0.000 0.194 286 D C 2.407 178.656 176.300 -0.084 0.000 0.994 286 D CA 1.101 55.079 54.000 -0.036 0.000 0.830 286 D CB -0.238 40.550 40.800 -0.020 0.000 0.959 286 D HN 0.347 nan 8.370 nan 0.000 0.452 287 R N -0.645 119.776 120.500 -0.131 0.000 2.090 287 R HA -0.038 4.302 4.340 -0.000 0.000 0.228 287 R C 2.321 178.469 176.300 -0.254 0.000 1.110 287 R CA 0.463 56.456 56.100 -0.177 0.000 0.973 287 R CB -0.403 29.788 30.300 -0.182 0.000 0.869 287 R HN 0.176 nan 8.270 nan 0.000 0.440 288 F N 1.143 120.777 119.950 -0.526 0.000 2.075 288 F HA -0.223 4.304 4.527 0.000 0.000 0.297 288 F C 2.114 177.723 175.800 -0.319 0.000 1.113 288 F CA 1.334 58.991 58.000 -0.571 0.000 1.218 288 F CB -0.201 38.254 39.000 -0.909 0.000 0.984 288 F HN -0.285 nan 8.300 nan 0.000 0.472 289 V N 0.608 120.528 119.914 0.011 0.000 2.287 289 V HA -0.370 3.750 4.120 -0.000 0.000 0.248 289 V C 2.709 178.721 176.094 -0.136 0.000 1.053 289 V CA 1.934 64.228 62.300 -0.011 0.000 1.027 289 V CB -1.605 30.231 31.823 0.021 0.000 0.646 289 V HN 0.505 nan 8.190 nan 0.000 0.447 290 A N -0.116 122.617 122.820 -0.145 0.000 1.877 290 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 290 A C 2.428 179.885 177.584 -0.211 0.000 1.186 290 A CA 2.254 54.200 52.037 -0.151 0.000 0.620 290 A CB -0.847 18.079 19.000 -0.124 0.000 0.822 290 A HN 0.597 nan 8.150 nan 0.000 0.443 291 A N -0.259 122.388 122.820 -0.288 0.000 1.902 291 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 291 A C 2.498 179.839 177.584 -0.405 0.000 1.181 291 A CA 2.077 53.913 52.037 -0.335 0.000 0.623 291 A CB -0.980 17.783 19.000 -0.395 0.000 0.818 291 A HN 1.063 nan 8.150 nan 0.000 0.443 292 A N -0.168 122.343 122.820 -0.515 0.000 1.898 292 A HA 0.190 4.510 4.320 -0.000 0.000 0.216 292 A C 2.458 179.802 177.584 -0.401 0.000 1.181 292 A CA 1.928 53.608 52.037 -0.594 0.000 0.620 292 A CB -0.932 17.760 19.000 -0.514 0.000 0.819 292 A HN 1.064 nan 8.150 nan 0.000 0.442 293 A N -0.402 122.259 122.820 -0.265 0.000 2.015 293 A HA 0.242 4.561 4.320 -0.000 0.000 0.219 293 A C 2.299 179.774 177.584 -0.181 0.000 1.163 293 A CA 1.723 53.648 52.037 -0.187 0.000 0.646 293 A CB -0.666 18.255 19.000 -0.132 0.000 0.806 293 A HN 1.009 nan 8.150 nan 0.000 0.448 294 A N -0.651 122.050 122.820 -0.198 0.000 2.123 294 A HA 0.355 4.675 4.320 -0.000 0.000 0.214 294 A C 0.940 178.422 177.584 -0.170 0.000 1.152 294 A CA -0.129 51.809 52.037 -0.164 0.000 0.728 294 A CB -0.378 18.530 19.000 -0.153 0.000 0.814 294 A HN 0.432 nan 8.150 nan 0.000 0.464 295 L N 1.074 122.163 121.223 -0.223 0.000 2.490 295 L HA 0.057 4.397 4.340 -0.000 0.000 0.274 295 L C 0.537 177.312 176.870 -0.157 0.000 1.201 295 L CA 0.135 54.850 54.840 -0.209 0.000 0.869 295 L CB 0.456 42.331 42.059 -0.307 0.000 1.123 295 L HN 0.288 nan 8.230 nan 0.000 0.484 299 D N 1.415 121.861 120.400 0.076 0.000 2.793 299 D HA 0.047 4.687 4.640 -0.000 0.000 0.230 299 D C -0.702 175.643 176.300 0.077 0.000 1.139 299 D CA -0.742 53.322 54.000 0.108 0.000 0.838 299 D CB 1.315 42.140 40.800 0.043 0.000 1.149 299 D HN 0.066 nan 8.370 nan 0.000 0.526 300 P HA -0.058 nan 4.420 nan 0.000 0.237 300 P C 1.407 178.717 177.300 0.016 0.000 1.178 300 P CA 0.461 63.582 63.100 0.036 0.000 0.766 300 P CB 0.208 31.915 31.700 0.012 0.000 0.876 301 L N -1.114 120.119 121.223 0.017 0.000 2.492 301 L HA 0.065 4.405 4.340 -0.000 0.000 0.223 301 L C 0.813 177.685 176.870 0.004 0.000 1.132 301 L CA 0.191 55.036 54.840 0.008 0.000 0.850 301 L CB -0.161 41.903 42.059 0.009 0.000 0.966 301 L HN -0.248 nan 8.230 nan 0.000 0.454 302 V N 0.653 120.570 119.914 0.004 0.000 2.368 302 V HA 0.057 4.177 4.120 -0.000 0.000 0.266 302 V C 1.089 177.178 176.094 -0.008 0.000 1.045 302 V CA -0.206 62.091 62.300 -0.005 0.000 0.899 302 V CB 1.191 33.008 31.823 -0.009 0.000 1.006 302 V HN 0.268 nan 8.190 nan 0.000 0.470 303 E N 2.412 122.606 120.200 -0.011 0.000 2.268 303 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 303 E C 1.614 178.203 176.600 -0.019 0.000 0.995 303 E CA 0.629 57.022 56.400 -0.013 0.000 0.836 303 E CB 0.259 29.951 29.700 -0.013 0.000 0.763 303 E HN 0.731 nan 8.360 nan 0.000 0.491 304 E N 0.914 121.100 120.200 -0.023 0.000 2.204 304 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 304 E C 0.061 176.641 176.600 -0.033 0.000 0.990 304 E CA 0.397 56.779 56.400 -0.030 0.000 0.821 304 E CB -0.116 29.563 29.700 -0.034 0.000 0.750 304 E HN 0.296 nan 8.360 nan 0.000 0.477 305 N N 1.520 120.204 118.700 -0.026 0.000 2.442 305 N HA -0.020 4.720 4.740 -0.000 0.000 0.265 305 N C 0.119 175.617 175.510 -0.020 0.000 1.138 305 N CA -0.354 52.681 53.050 -0.024 0.000 0.956 305 N CB 0.864 39.347 38.487 -0.006 0.000 1.067 305 N HN 0.020 nan 8.380 nan 0.000 0.474 306 D N 1.774 122.154 120.400 -0.033 0.000 2.249 306 D HA 0.028 4.668 4.640 -0.000 0.000 0.205 306 D C 0.152 176.447 176.300 -0.009 0.000 0.962 306 D CA 1.084 55.065 54.000 -0.031 0.000 0.860 306 D CB 0.534 41.297 40.800 -0.062 0.000 0.955 306 D HN 0.375 nan 8.370 nan 0.000 0.505 307 L N -0.034 121.189 121.223 0.001 0.000 2.381 307 L HA 0.546 4.886 4.340 -0.000 0.000 0.268 307 L C 0.735 177.654 176.870 0.081 0.000 0.997 307 L CA -0.857 54.005 54.840 0.037 0.000 0.818 307 L CB 2.523 44.604 42.059 0.037 0.000 1.310 307 L HN -0.177 nan 8.230 nan 0.000 0.416 308 G N 1.230 110.071 108.800 0.068 0.000 2.671 308 G HA2 0.710 4.670 3.960 -0.000 0.000 0.275 308 G HA3 0.710 4.670 3.960 -0.000 0.000 0.275 308 G C -2.738 172.152 174.900 -0.016 0.000 1.368 308 G CA -1.124 44.022 45.100 0.077 0.000 1.044 308 G HN 0.350 nan 8.290 nan 0.000 0.543 312 R N -0.591 119.553 120.500 -0.593 0.000 2.561 312 R HA 0.570 4.910 4.340 -0.000 0.000 0.297 312 R C -0.163 175.987 176.300 -0.250 0.000 0.969 312 R CA -0.674 55.200 56.100 -0.377 0.000 0.879 312 R CB 0.996 31.098 30.300 -0.331 0.000 1.178 312 R HN 0.269 nan 8.270 nan 0.000 0.445 313 F N 1.580 121.458 119.950 -0.119 0.000 2.095 313 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 313 F C 2.388 178.172 175.800 -0.026 0.000 1.104 313 F CA 1.890 59.853 58.000 -0.061 0.000 1.232 313 F CB -0.018 38.954 39.000 -0.047 0.000 0.987 313 F HN 0.621 nan 8.300 nan 0.000 0.475 314 D N 0.583 121.080 120.400 0.161 0.000 2.182 314 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 314 D C 1.928 178.273 176.300 0.075 0.000 0.986 314 D CA 1.405 55.469 54.000 0.106 0.000 0.847 314 D CB -0.982 39.871 40.800 0.089 0.000 0.942 314 D HN 0.325 nan 8.370 nan 0.000 0.467 315 L N -0.402 120.849 121.223 0.047 0.000 2.156 315 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 315 L C 2.958 179.842 176.870 0.023 0.000 1.095 315 L CA 0.548 55.424 54.840 0.060 0.000 0.770 315 L CB -0.427 41.697 42.059 0.108 0.000 0.914 315 L HN 0.014 nan 8.230 nan 0.000 0.439 316 R N 0.451 120.940 120.500 -0.018 0.000 2.075 316 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 316 R C 1.818 178.131 176.300 0.021 0.000 1.126 316 R CA 1.641 57.716 56.100 -0.042 0.000 0.963 316 R CB -0.079 30.200 30.300 -0.035 0.000 0.858 316 R HN 0.304 nan 8.270 nan 0.000 0.435 317 D N 0.371 120.819 120.400 0.080 0.000 2.104 317 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 317 D C 1.681 178.043 176.300 0.104 0.000 0.994 317 D CA 1.467 55.541 54.000 0.124 0.000 0.830 317 D CB -0.152 40.719 40.800 0.119 0.000 0.959 317 D HN 0.460 nan 8.370 nan 0.000 0.452 318 E N 0.171 120.412 120.200 0.068 0.000 2.077 318 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 318 E C 2.231 178.845 176.600 0.023 0.000 0.989 318 E CA 0.501 56.933 56.400 0.053 0.000 0.800 318 E CB -0.110 29.625 29.700 0.058 0.000 0.746 318 E HN 0.082 nan 8.360 nan 0.000 0.452 319 L N 0.669 121.879 121.223 -0.022 0.000 2.046 319 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 319 L C 2.366 179.164 176.870 -0.122 0.000 1.077 319 L CA 2.312 57.088 54.840 -0.107 0.000 0.747 319 L CB -0.700 41.214 42.059 -0.242 0.000 0.896 319 L HN 0.272 nan 8.230 nan 0.000 0.432 320 H N -0.693 118.263 119.070 -0.190 0.000 2.353 320 H HA -0.147 4.409 4.556 0.000 0.000 0.300 320 H C 2.206 177.571 175.328 0.061 0.000 1.090 320 H CA 2.153 58.200 56.048 -0.002 0.000 1.327 320 H CB 0.008 29.874 29.762 0.173 0.000 1.383 320 H HN 0.495 nan 8.280 nan 0.000 0.508 321 Q N -0.196 119.584 119.800 -0.033 0.000 2.124 321 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 321 Q C 2.306 178.273 176.000 -0.054 0.000 0.977 321 Q CA 1.610 57.373 55.803 -0.066 0.000 0.850 321 Q CB -0.006 28.738 28.738 0.010 0.000 0.901 321 Q HN 0.687 nan 8.270 nan 0.000 0.429 322 Q N -0.344 119.442 119.800 -0.023 0.000 2.119 322 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 322 Q C 2.196 178.197 176.000 0.001 0.000 0.972 322 Q CA 1.272 57.076 55.803 0.002 0.000 0.847 322 Q CB 0.070 28.818 28.738 0.016 0.000 0.903 322 Q HN 0.190 nan 8.270 nan 0.000 0.433 323 V N 1.018 120.925 119.914 -0.012 0.000 2.307 323 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 323 V C 2.133 178.214 176.094 -0.022 0.000 1.045 323 V CA 1.860 64.177 62.300 0.027 0.000 1.024 323 V CB -0.566 31.337 31.823 0.134 0.000 0.651 323 V HN 0.376 nan 8.190 nan 0.000 0.449 324 Q N -0.131 119.587 119.800 -0.137 0.000 2.096 324 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 324 Q C 2.410 178.386 176.000 -0.039 0.000 0.982 324 Q CA 1.943 57.675 55.803 -0.120 0.000 0.850 324 Q CB -0.451 28.167 28.738 -0.201 0.000 0.901 324 Q HN 0.682 nan 8.270 nan 0.000 0.422 325 A N 0.403 123.208 122.820 -0.026 0.000 1.902 325 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 325 A C 2.274 179.870 177.584 0.020 0.000 1.181 325 A CA 1.709 53.748 52.037 0.004 0.000 0.623 325 A CB -0.526 18.481 19.000 0.013 0.000 0.818 325 A HN 0.261 nan 8.150 nan 0.000 0.443 326 S N -0.381 115.337 115.700 0.029 0.000 2.368 326 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 326 S C 1.903 176.529 174.600 0.042 0.000 1.030 326 S CA 1.460 59.688 58.200 0.046 0.000 0.999 326 S CB -0.511 62.726 63.200 0.063 0.000 0.844 326 S HN 0.345 nan 8.310 nan 0.000 0.459 327 V N 2.110 122.046 119.914 0.037 0.000 2.295 327 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 327 V C 2.666 178.777 176.094 0.029 0.000 1.049 327 V CA 1.707 64.029 62.300 0.037 0.000 1.024 327 V CB -1.248 30.597 31.823 0.038 0.000 0.648 327 V HN 0.548 nan 8.190 nan 0.000 0.447 328 A N -0.485 122.348 122.820 0.022 0.000 1.978 328 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 328 A C 2.120 179.716 177.584 0.021 0.000 1.170 328 A CA 1.944 53.993 52.037 0.019 0.000 0.636 328 A CB -0.459 18.550 19.000 0.015 0.000 0.810 328 A HN 0.655 nan 8.150 nan 0.000 0.448 329 E N -2.113 118.102 120.200 0.024 0.000 2.427 329 E HA 0.213 4.563 4.350 -0.000 0.000 0.196 329 E C 1.168 177.782 176.600 0.023 0.000 1.028 329 E CA 0.389 56.803 56.400 0.024 0.000 0.864 329 E CB -0.006 29.712 29.700 0.029 0.000 0.813 329 E HN 0.749 nan 8.360 nan 0.000 0.514 330 G N 0.533 109.348 108.800 0.026 0.000 2.227 330 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.168 330 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.168 330 G C 0.310 175.229 174.900 0.032 0.000 1.006 330 G CA -0.246 44.869 45.100 0.025 0.000 0.684 330 G HN 0.397 nan 8.290 nan 0.000 0.489 331 A N 0.243 123.087 122.820 0.040 0.000 2.483 331 A HA 0.623 4.943 4.320 -0.000 0.000 0.238 331 A C 0.697 178.311 177.584 0.050 0.000 1.070 331 A CA 0.754 52.821 52.037 0.051 0.000 0.770 331 A CB 0.217 19.256 19.000 0.065 0.000 1.008 331 A HN 0.734 nan 8.150 nan 0.000 0.497 332 R N 1.640 122.172 120.500 0.053 0.000 2.229 332 R HA 0.418 4.758 4.340 -0.000 0.000 0.328 332 R C -1.039 175.298 176.300 0.062 0.000 1.009 332 R CA -0.645 55.486 56.100 0.051 0.000 0.864 332 R CB 0.479 30.807 30.300 0.046 0.000 1.085 332 R HN 0.605 nan 8.270 nan 0.000 0.453 333 L N 6.706 127.966 121.223 0.061 0.000 2.295 333 L HA 0.184 4.524 4.340 -0.000 0.000 0.288 333 L C 0.025 176.932 176.870 0.062 0.000 1.079 333 L CA 0.409 55.292 54.840 0.071 0.000 0.830 333 L CB 0.860 42.962 42.059 0.072 0.000 1.200 333 L HN 0.856 nan 8.230 nan 0.000 0.438 334 L N 4.996 126.261 121.223 0.070 0.000 2.416 334 L HA 0.267 4.607 4.340 -0.000 0.000 0.216 334 L C -0.189 176.711 176.870 0.050 0.000 1.098 334 L CA 0.119 54.993 54.840 0.057 0.000 0.840 334 L CB 0.134 42.231 42.059 0.063 0.000 0.981 334 L HN 0.519 nan 8.230 nan 0.000 0.462 335 L N -1.059 120.203 121.223 0.065 0.000 2.591 335 L HA 0.651 4.991 4.340 -0.000 0.000 0.257 335 L C 0.097 177.002 176.870 0.058 0.000 0.935 335 L CA 0.378 55.245 54.840 0.045 0.000 0.873 335 L CB 1.600 43.684 42.059 0.042 0.000 1.397 335 L HN 0.133 nan 8.230 nan 0.000 0.414 336 G N 2.830 111.639 108.800 0.015 0.000 2.531 336 G HA2 0.216 4.176 3.960 -0.000 0.000 0.274 336 G HA3 0.216 4.176 3.960 -0.000 0.000 0.274 336 G C 0.873 175.773 174.900 0.000 0.000 1.159 336 G CA 0.591 45.681 45.100 -0.016 0.000 0.969 336 G HN 2.455 nan 8.290 nan 0.000 0.554 337 G N -0.641 108.173 108.800 0.023 0.000 2.182 337 G HA2 0.068 4.028 3.960 -0.000 0.000 0.248 337 G HA3 0.068 4.028 3.960 -0.000 0.000 0.248 337 G C -0.059 174.879 174.900 0.064 0.000 1.042 337 G CA 1.669 46.867 45.100 0.163 0.000 0.775 337 G HN 1.311 nan 8.290 nan 0.000 0.501 338 E N -0.597 119.361 120.200 -0.404 0.000 2.356 338 E HA 0.368 4.718 4.350 -0.000 0.000 0.275 338 E C -0.187 175.943 176.600 -0.784 0.000 0.904 338 E CA -1.062 55.085 56.400 -0.421 0.000 0.757 338 E CB 1.704 31.274 29.700 -0.216 0.000 1.232 338 E HN 0.258 nan 8.360 nan 0.000 0.442 339 K N 1.708 121.829 120.400 -0.465 0.000 2.382 339 K HA 0.203 4.523 4.320 -0.000 0.000 0.275 339 K C -0.030 176.479 176.600 -0.151 0.000 1.009 339 K CA -0.288 55.879 56.287 -0.201 0.000 0.970 339 K CB 0.504 32.962 32.500 -0.070 0.000 0.934 339 K HN 0.251 nan 8.250 nan 0.000 0.479 340 I N 2.407 122.943 120.570 -0.056 0.000 2.395 340 I HA 0.109 4.279 4.170 -0.000 0.000 0.289 340 I C 0.777 176.903 176.117 0.015 0.000 1.023 340 I CA -0.593 60.687 61.300 -0.034 0.000 1.350 340 I CB 0.552 38.542 38.000 -0.017 0.000 1.409 340 I HN 0.677 nan 8.210 nan 0.000 0.507 341 A N 4.648 127.462 122.820 -0.010 0.000 2.498 341 A HA 0.610 4.930 4.320 -0.000 0.000 0.239 341 A C 0.719 178.323 177.584 0.032 0.000 1.068 341 A CA 0.741 52.785 52.037 0.012 0.000 0.766 341 A CB 0.009 19.005 19.000 -0.007 0.000 1.003 341 A HN 1.227 nan 8.150 nan 0.000 0.497 342 G N 0.846 109.681 108.800 0.058 0.000 2.361 342 G HA2 0.156 4.116 3.960 -0.000 0.000 0.331 342 G HA3 0.156 4.116 3.960 -0.000 0.000 0.331 342 G C -0.108 174.864 174.900 0.121 0.000 1.324 342 G CA -0.029 45.118 45.100 0.077 0.000 0.984 342 G HN 0.582 nan 8.290 nan 0.000 0.586 343 E N -0.571 119.704 120.200 0.125 0.000 2.385 343 E HA 0.204 4.554 4.350 -0.000 0.000 0.194 343 E C 1.744 178.499 176.600 0.258 0.000 1.013 343 E CA 0.440 56.924 56.400 0.140 0.000 0.866 343 E CB 0.265 30.012 29.700 0.079 0.000 0.832 343 E HN 0.727 nan 8.360 nan 0.000 0.500 344 G N 0.933 109.893 108.800 0.267 0.000 2.653 344 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.265 344 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.265 344 G C 0.013 174.980 174.900 0.113 0.000 1.237 344 G CA -0.417 44.818 45.100 0.224 0.000 0.946 344 G HN 0.031 nan 8.290 nan 0.000 0.522 345 N N -0.853 117.615 118.700 -0.386 0.000 2.839 345 N HA 0.206 4.946 4.740 -0.000 0.000 0.314 345 N C -1.235 174.029 175.510 -0.409 0.000 1.449 345 N CA -0.450 52.240 53.050 -0.601 0.000 1.050 345 N CB -0.268 37.425 38.487 -1.324 0.000 1.364 345 N HN 0.373 nan 8.380 nan 0.000 0.512 346 Y N 0.336 120.594 120.300 -0.071 0.000 2.304 346 Y HA 0.306 4.856 4.550 -0.000 0.000 0.328 346 Y C -0.371 175.558 175.900 0.048 0.000 1.123 346 Y CA -0.403 57.684 58.100 -0.023 0.000 1.218 346 Y CB 0.732 39.172 38.460 -0.033 0.000 1.207 346 Y HN 0.149 nan 8.280 nan 0.000 0.495 347 Y N 1.687 122.044 120.300 0.094 0.000 2.425 347 Y HA 0.680 5.230 4.550 -0.000 0.000 0.344 347 Y C -0.237 175.712 175.900 0.082 0.000 0.969 347 Y CA -1.496 56.643 58.100 0.066 0.000 1.052 347 Y CB 1.151 39.642 38.460 0.050 0.000 1.215 347 Y HN 0.757 nan 8.280 nan 0.000 0.451 348 A N 4.023 126.643 122.820 -0.333 0.000 2.498 348 A HA 0.489 4.809 4.320 -0.000 0.000 0.239 348 A C 0.174 177.781 177.584 0.038 0.000 1.068 348 A CA 0.081 52.025 52.037 -0.156 0.000 0.766 348 A CB -0.494 18.361 19.000 -0.241 0.000 1.003 348 A HN 1.142 nan 8.150 nan 0.000 0.497 349 A N 3.083 125.925 122.820 0.036 0.000 2.566 349 A HA 0.465 4.785 4.320 -0.000 0.000 0.245 349 A C 0.648 178.312 177.584 0.134 0.000 1.056 349 A CA 0.846 52.928 52.037 0.075 0.000 0.757 349 A CB -0.486 18.389 19.000 -0.209 0.000 0.979 349 A HN 0.910 nan 8.150 nan 0.000 0.508 350 T N 1.938 116.678 114.554 0.310 0.000 2.876 350 T HA 0.575 4.925 4.350 -0.000 0.000 0.289 350 T C -0.722 174.172 174.700 0.323 0.000 1.014 350 T CA -0.419 61.848 62.100 0.278 0.000 0.986 350 T CB 1.636 70.711 68.868 0.345 0.000 1.021 350 T HN 0.544 nan 8.240 nan 0.000 0.458 351 V N 3.740 123.799 119.914 0.242 0.000 2.525 351 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 351 V C -0.750 175.437 176.094 0.156 0.000 1.034 351 V CA -0.806 61.631 62.300 0.229 0.000 0.863 351 V CB 1.548 33.513 31.823 0.237 0.000 0.999 351 V HN 0.708 nan 8.190 nan 0.000 0.423 352 L N 4.281 125.589 121.223 0.141 0.000 2.322 352 L HA 0.928 5.268 4.340 -0.000 0.000 0.281 352 L C 0.336 177.264 176.870 0.097 0.000 1.014 352 L CA -0.245 54.663 54.840 0.113 0.000 0.815 352 L CB 1.782 43.910 42.059 0.115 0.000 1.247 352 L HN 0.787 nan 8.230 nan 0.000 0.421 353 A N 1.104 123.973 122.820 0.082 0.000 2.389 353 A HA 0.647 4.967 4.320 -0.000 0.000 0.293 353 A C -0.333 177.291 177.584 0.066 0.000 1.186 353 A CA -0.424 51.657 52.037 0.073 0.000 0.828 353 A CB 0.825 19.863 19.000 0.064 0.000 1.369 353 A HN 0.798 nan 8.150 nan 0.000 0.446 354 D N -1.164 119.271 120.400 0.058 0.000 2.837 354 D HA -0.129 4.511 4.640 -0.000 0.000 0.230 354 D C -0.204 176.121 176.300 0.041 0.000 1.152 354 D CA 1.121 55.148 54.000 0.045 0.000 0.736 354 D CB -1.879 38.944 40.800 0.038 0.000 1.084 354 D HN 0.329 nan 8.370 nan 0.000 0.429 355 V N 0.908 120.859 119.914 0.061 0.000 2.508 355 V HA 0.340 4.460 4.120 -0.000 0.000 0.281 355 V C 1.246 177.338 176.094 -0.004 0.000 1.041 355 V CA 0.372 62.715 62.300 0.072 0.000 1.016 355 V CB 1.458 33.374 31.823 0.156 0.000 0.984 355 V HN 0.347 nan 8.190 nan 0.000 0.478 356 T N 2.991 117.503 114.554 -0.069 0.000 2.940 356 T HA 0.478 4.828 4.350 -0.000 0.000 0.288 356 T C -1.994 172.468 174.700 -0.397 0.000 1.033 356 T CA -2.189 59.784 62.100 -0.211 0.000 1.033 356 T CB 1.951 70.750 68.868 -0.115 0.000 1.079 356 T HN 0.366 nan 8.240 nan 0.000 0.496 357 P HA -0.020 nan 4.420 nan 0.000 0.221 357 P C 0.508 177.679 177.300 -0.214 0.000 1.145 357 P CA 0.826 63.388 63.100 -0.896 0.000 0.795 357 P CB -0.076 31.230 31.700 -0.658 0.000 0.775 361 A N 0.193 123.086 122.820 0.121 0.000 2.121 361 A HA 0.248 4.568 4.320 -0.000 0.000 0.218 361 A C 1.593 179.260 177.584 0.139 0.000 1.154 361 A CA 1.204 53.308 52.037 0.112 0.000 0.679 361 A CB -0.689 18.378 19.000 0.112 0.000 0.795 361 A HN 0.485 nan 8.150 nan 0.000 0.458 362 F N -0.533 119.436 119.950 0.032 0.000 2.446 362 F HA 0.149 4.676 4.527 0.000 0.000 0.292 362 F C 2.284 178.120 175.800 0.060 0.000 1.096 362 F CA 0.696 58.714 58.000 0.031 0.000 1.438 362 F CB 0.265 39.281 39.000 0.027 0.000 1.107 362 F HN 0.056 nan 8.300 nan 0.000 0.546 363 R N -0.673 119.974 120.500 0.246 0.000 2.254 363 R HA 0.164 4.504 4.340 -0.000 0.000 0.193 363 R C 0.076 176.516 176.300 0.234 0.000 0.929 363 R CA 0.138 56.372 56.100 0.223 0.000 1.038 363 R CB 0.153 30.574 30.300 0.201 0.000 1.009 363 R HN 0.200 nan 8.270 nan 0.000 0.512 364 Q N 0.972 120.878 119.800 0.176 0.000 2.248 364 Q HA 0.188 4.528 4.340 -0.000 0.000 0.263 364 Q C -0.684 175.342 176.000 0.045 0.000 1.007 364 Q CA -0.375 55.542 55.803 0.191 0.000 0.877 364 Q CB 1.650 30.461 28.738 0.123 0.000 1.315 364 Q HN 0.061 nan 8.270 nan 0.000 0.454 365 E N 1.843 122.007 120.200 -0.060 0.000 2.265 365 E HA 0.128 4.478 4.350 -0.000 0.000 0.272 365 E C -0.769 175.808 176.600 -0.038 0.000 1.067 365 E CA -0.102 56.148 56.400 -0.250 0.000 0.900 365 E CB 0.269 29.742 29.700 -0.378 0.000 1.017 365 E HN 0.371 nan 8.360 nan 0.000 0.431 366 L N 6.279 127.483 121.223 -0.031 0.000 2.282 366 L HA 0.230 4.570 4.340 -0.000 0.000 0.287 366 L C -0.125 176.792 176.870 0.079 0.000 1.075 366 L CA -0.509 54.348 54.840 0.028 0.000 0.839 366 L CB 0.092 42.152 42.059 0.001 0.000 1.219 366 L HN 0.643 nan 8.230 nan 0.000 0.434 367 F N 3.364 123.289 119.950 -0.041 0.000 2.660 367 F HA 0.546 5.073 4.527 -0.000 0.000 0.342 367 F C 0.831 176.649 175.800 0.029 0.000 1.195 367 F CA -0.267 57.730 58.000 -0.006 0.000 1.300 367 F CB 0.166 39.184 39.000 0.029 0.000 1.616 367 F HN 0.434 nan 8.300 nan 0.000 0.592 368 G N 1.631 110.387 108.800 -0.073 0.000 2.428 368 G HA2 0.244 4.204 3.960 -0.000 0.000 0.304 368 G HA3 0.244 4.204 3.960 -0.000 0.000 0.304 368 G C -3.084 171.810 174.900 -0.011 0.000 1.303 368 G CA -0.812 44.256 45.100 -0.054 0.000 0.825 368 G HN -0.160 nan 8.290 nan 0.000 0.484 369 P HA 0.362 nan 4.420 nan 0.000 0.220 369 P C -0.605 176.888 177.300 0.321 0.000 1.806 369 P CA -0.082 63.175 63.100 0.261 0.000 0.976 369 P CB 0.307 32.257 31.700 0.416 0.000 1.952 370 V N 1.333 121.332 119.914 0.141 0.000 2.409 370 V HA 0.565 4.685 4.120 -0.000 0.000 0.290 370 V C 0.346 176.508 176.094 0.113 0.000 1.017 370 V CA -1.042 61.367 62.300 0.182 0.000 0.841 370 V CB 1.694 33.604 31.823 0.145 0.000 1.003 370 V HN 0.318 nan 8.190 nan 0.000 0.426 371 A N 3.945 126.883 122.820 0.197 0.000 2.310 371 A HA 0.907 5.227 4.320 -0.000 0.000 0.299 371 A C 0.257 177.946 177.584 0.175 0.000 1.147 371 A CA -0.124 52.042 52.037 0.216 0.000 0.818 371 A CB 1.059 20.223 19.000 0.273 0.000 1.096 371 A HN 1.334 nan 8.150 nan 0.000 0.495 372 A N 2.500 125.423 122.820 0.173 0.000 2.303 372 A HA 0.704 5.024 4.320 -0.000 0.000 0.320 372 A C -0.551 177.146 177.584 0.188 0.000 1.192 372 A CA -0.388 51.735 52.037 0.144 0.000 0.821 372 A CB 0.307 19.369 19.000 0.103 0.000 1.188 372 A HN 0.729 nan 8.150 nan 0.000 0.492 373 I N 2.140 122.796 120.570 0.143 0.000 2.406 373 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 373 I C -0.291 175.899 176.117 0.120 0.000 0.999 373 I CA -0.190 61.191 61.300 0.134 0.000 1.124 373 I CB 2.357 40.401 38.000 0.074 0.000 1.289 373 I HN 0.542 nan 8.210 nan 0.000 0.441 374 T N 5.152 119.779 114.554 0.121 0.000 2.841 374 T HA 0.454 4.804 4.350 -0.000 0.000 0.283 374 T C -0.295 174.428 174.700 0.037 0.000 1.000 374 T CA -0.495 61.658 62.100 0.089 0.000 0.977 374 T CB 2.272 71.232 68.868 0.154 0.000 0.979 374 T HN 0.141 nan 8.240 nan 0.000 0.446 375 V N 2.576 122.503 119.914 0.022 0.000 2.465 375 V HA 0.690 4.810 4.120 -0.000 0.000 0.279 375 V C 0.379 176.475 176.094 0.002 0.000 1.045 375 V CA -0.744 61.567 62.300 0.019 0.000 0.938 375 V CB 1.067 32.916 31.823 0.044 0.000 0.986 375 V HN 1.078 nan 8.190 nan 0.000 0.467 376 A N 4.690 127.504 122.820 -0.010 0.000 2.317 376 A HA 0.608 4.928 4.320 -0.000 0.000 0.327 376 A C 0.936 178.623 177.584 0.171 0.000 1.178 376 A CA -0.649 51.387 52.037 -0.003 0.000 0.817 376 A CB 0.939 19.885 19.000 -0.090 0.000 1.189 376 A HN 0.727 nan 8.150 nan 0.000 0.489 377 K N 0.750 121.384 120.400 0.390 0.000 2.155 377 K HA 0.000 4.320 4.320 -0.000 0.000 0.203 377 K C -0.221 176.446 176.600 0.112 0.000 1.052 377 K CA 1.629 58.022 56.287 0.176 0.000 0.948 377 K CB -0.174 32.370 32.500 0.073 0.000 0.728 377 K HN 0.975 nan 8.250 nan 0.000 0.448 378 D N -3.668 116.813 120.400 0.137 0.000 2.713 378 D HA 0.285 4.925 4.640 -0.000 0.000 0.306 378 D C 0.300 176.649 176.300 0.082 0.000 1.299 378 D CA -0.163 53.886 54.000 0.082 0.000 0.823 378 D CB 0.203 41.037 40.800 0.057 0.000 1.353 378 D HN -0.158 nan 8.370 nan 0.000 0.447 379 A N 0.048 122.899 122.820 0.051 0.000 1.933 379 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 379 A C 2.150 179.761 177.584 0.046 0.000 1.175 379 A CA 2.696 54.754 52.037 0.037 0.000 0.628 379 A CB -1.356 17.657 19.000 0.022 0.000 0.814 379 A HN 0.794 nan 8.150 nan 0.000 0.444 380 A N -1.289 121.566 122.820 0.058 0.000 1.902 380 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 380 A C 2.093 179.744 177.584 0.112 0.000 1.181 380 A CA 1.755 53.831 52.037 0.064 0.000 0.623 380 A CB -1.016 18.014 19.000 0.050 0.000 0.818 380 A HN 0.796 nan 8.150 nan 0.000 0.443 381 H N -0.543 118.532 119.070 0.009 0.000 2.353 381 H HA -0.082 4.475 4.556 0.000 0.000 0.300 381 H C 2.344 177.686 175.328 0.023 0.000 1.090 381 H CA 1.094 57.149 56.048 0.011 0.000 1.327 381 H CB 0.018 29.783 29.762 0.006 0.000 1.383 381 H HN 0.470 nan 8.280 nan 0.000 0.508 382 A N 1.152 123.972 122.820 -0.001 0.000 1.883 382 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 382 A C 2.404 179.975 177.584 -0.021 0.000 1.186 382 A CA 1.528 53.530 52.037 -0.059 0.000 0.624 382 A CB -0.865 18.120 19.000 -0.025 0.000 0.822 382 A HN 0.457 nan 8.150 nan 0.000 0.444 383 L N -0.267 120.961 121.223 0.008 0.000 2.042 383 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 383 L C 2.661 179.549 176.870 0.029 0.000 1.076 383 L CA 2.306 57.154 54.840 0.012 0.000 0.749 383 L CB -0.739 41.328 42.059 0.014 0.000 0.893 383 L HN 0.349 nan 8.230 nan 0.000 0.432 384 A N -0.624 122.227 122.820 0.051 0.000 1.902 384 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 384 A C 2.253 179.887 177.584 0.084 0.000 1.181 384 A CA 1.899 53.980 52.037 0.074 0.000 0.623 384 A CB -0.888 18.183 19.000 0.117 0.000 0.818 384 A HN 0.501 nan 8.150 nan 0.000 0.443 385 L N -0.714 120.542 121.223 0.054 0.000 2.046 385 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 385 L C 3.103 180.098 176.870 0.208 0.000 1.077 385 L CA 1.099 56.024 54.840 0.142 0.000 0.747 385 L CB -0.548 41.527 42.059 0.027 0.000 0.896 385 L HN 0.435 nan 8.230 nan 0.000 0.432 386 A N 0.118 122.984 122.820 0.077 0.000 1.902 386 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 386 A C 1.961 179.556 177.584 0.019 0.000 1.181 386 A CA 1.963 54.010 52.037 0.016 0.000 0.623 386 A CB -0.503 18.490 19.000 -0.012 0.000 0.818 386 A HN 0.438 nan 8.150 nan 0.000 0.443 387 N N 0.118 118.844 118.700 0.043 0.000 2.467 387 N HA -0.028 4.712 4.740 -0.000 0.000 0.184 387 N C -0.084 175.466 175.510 0.067 0.000 1.106 387 N CA 0.579 53.652 53.050 0.038 0.000 0.892 387 N CB -0.159 38.345 38.487 0.029 0.000 0.969 387 N HN 0.440 nan 8.380 nan 0.000 0.454 388 D N 0.600 121.075 120.400 0.125 0.000 2.608 388 D HA 0.126 4.766 4.640 -0.000 0.000 0.224 388 D C -0.889 175.529 176.300 0.197 0.000 1.123 388 D CA 0.068 54.173 54.000 0.174 0.000 1.030 388 D CB -0.264 40.677 40.800 0.235 0.000 1.093 388 D HN -0.129 nan 8.370 nan 0.000 0.497 389 S N 1.367 117.127 115.700 0.100 0.000 2.537 389 S HA 0.213 4.683 4.470 -0.000 0.000 0.270 389 S C 0.475 175.088 174.600 0.021 0.000 1.142 389 S CA -0.682 57.567 58.200 0.082 0.000 0.870 389 S CB 1.265 64.500 63.200 0.058 0.000 1.112 389 S HN 0.243 nan 8.310 nan 0.000 0.466 390 E N 1.521 121.683 120.200 -0.062 0.000 2.481 390 E HA 0.107 4.457 4.350 -0.000 0.000 0.195 390 E C -0.543 175.833 176.600 -0.373 0.000 1.047 390 E CA 0.565 56.815 56.400 -0.250 0.000 0.867 390 E CB 0.167 29.634 29.700 -0.389 0.000 0.858 390 E HN 0.494 nan 8.360 nan 0.000 0.513 391 F N -0.101 119.826 119.950 -0.039 0.000 2.450 391 F HA 0.539 5.066 4.527 -0.000 0.000 0.328 391 F C 1.060 176.826 175.800 -0.057 0.000 1.068 391 F CA -0.701 57.269 58.000 -0.050 0.000 1.007 391 F CB 1.675 40.638 39.000 -0.062 0.000 1.251 391 F HN -0.223 nan 8.300 nan 0.000 0.492 392 G N 1.201 110.088 108.800 0.144 0.000 4.836 392 G HA2 0.281 4.241 3.960 -0.000 0.000 0.222 392 G HA3 0.281 4.241 3.960 -0.000 0.000 0.222 392 G C -0.331 174.563 174.900 -0.010 0.000 1.332 392 G CA -0.168 44.955 45.100 0.039 0.000 0.606 392 G HN 0.547 nan 8.290 nan 0.000 0.357 393 L N 0.123 121.336 121.223 -0.016 0.000 2.115 393 L HA 0.637 4.977 4.340 -0.000 0.000 0.200 393 L C 0.923 177.719 176.870 -0.123 0.000 1.094 393 L CA 1.512 56.292 54.840 -0.100 0.000 0.769 393 L CB 0.129 42.135 42.059 -0.088 0.000 0.931 393 L HN 0.286 nan 8.230 nan 0.000 0.455 394 S N -2.056 113.612 115.700 -0.053 0.000 2.671 394 S HA 0.861 5.331 4.470 -0.000 0.000 0.277 394 S C -1.579 173.040 174.600 0.031 0.000 1.165 394 S CA -0.233 57.976 58.200 0.015 0.000 0.822 394 S CB 1.511 64.768 63.200 0.094 0.000 1.150 394 S HN 0.628 nan 8.310 nan 0.000 0.479 395 A N 1.018 123.889 122.820 0.084 0.000 2.604 395 A HA 0.777 5.097 4.320 -0.000 0.000 0.295 395 A C -1.106 176.522 177.584 0.073 0.000 1.067 395 A CA -0.577 51.482 52.037 0.036 0.000 0.683 395 A CB 1.599 20.589 19.000 -0.017 0.000 1.281 395 A HN 0.620 nan 8.150 nan 0.000 0.407 396 T N 1.250 115.780 114.554 -0.039 0.000 2.876 396 T HA 0.672 5.022 4.350 -0.000 0.000 0.289 396 T C -0.823 173.710 174.700 -0.278 0.000 1.014 396 T CA -0.171 61.826 62.100 -0.171 0.000 0.986 396 T CB 1.282 69.913 68.868 -0.394 0.000 1.021 396 T HN 0.799 nan 8.240 nan 0.000 0.458 397 I N 2.177 122.588 120.570 -0.264 0.000 2.533 397 I HA 0.615 4.785 4.170 -0.000 0.000 0.290 397 I C -1.788 174.155 176.117 -0.289 0.000 1.056 397 I CA -1.104 60.065 61.300 -0.219 0.000 1.057 397 I CB 1.113 39.029 38.000 -0.139 0.000 1.240 397 I HN 0.529 nan 8.210 nan 0.000 0.423 398 F N 5.775 125.592 119.950 -0.222 0.000 2.402 398 F HA 0.606 5.133 4.527 -0.000 0.000 0.355 398 F C 0.210 175.974 175.800 -0.060 0.000 1.123 398 F CA -0.221 57.708 58.000 -0.118 0.000 1.021 398 F CB 1.868 40.827 39.000 -0.069 0.000 1.160 398 F HN 0.368 nan 8.300 nan 0.000 0.451 399 T N 1.737 116.305 114.554 0.023 0.000 3.047 399 T HA 0.521 4.871 4.350 -0.000 0.000 0.340 399 T C 0.366 175.074 174.700 0.012 0.000 1.421 399 T CA -0.031 62.090 62.100 0.034 0.000 1.090 399 T CB 1.284 70.153 68.868 0.002 0.000 1.292 399 T HN 0.582 nan 8.240 nan 0.000 0.480 400 A N 2.407 125.249 122.820 0.037 0.000 2.067 400 A HA 0.135 4.455 4.320 -0.000 0.000 0.219 400 A C 0.970 178.556 177.584 0.005 0.000 1.158 400 A CA 0.888 52.941 52.037 0.026 0.000 0.661 400 A CB -0.303 18.720 19.000 0.039 0.000 0.801 400 A HN 0.752 nan 8.150 nan 0.000 0.452 401 D N 0.258 120.658 120.400 -0.001 0.000 2.393 401 D HA 0.154 4.794 4.640 -0.000 0.000 0.232 401 D C -0.133 176.153 176.300 -0.022 0.000 1.192 401 D CA -0.290 53.706 54.000 -0.007 0.000 0.882 401 D CB 0.508 41.307 40.800 -0.003 0.000 1.038 401 D HN 0.123 nan 8.370 nan 0.000 0.499 402 D N 2.085 122.471 120.400 -0.024 0.000 2.123 402 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 402 D C 1.608 177.887 176.300 -0.034 0.000 0.992 402 D CA 1.272 55.252 54.000 -0.034 0.000 0.833 402 D CB 0.074 40.857 40.800 -0.028 0.000 0.954 402 D HN 0.425 nan 8.370 nan 0.000 0.455 403 T N 1.177 115.717 114.554 -0.024 0.000 2.737 403 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 403 T C 1.923 176.609 174.700 -0.024 0.000 1.038 403 T CA 0.445 62.532 62.100 -0.022 0.000 1.144 403 T CB -0.344 68.515 68.868 -0.014 0.000 0.866 403 T HN 0.022 nan 8.240 nan 0.000 0.434 404 L N 1.662 122.872 121.223 -0.021 0.000 2.012 404 L HA 0.036 4.376 4.340 -0.000 0.000 0.210 404 L C 2.647 179.497 176.870 -0.033 0.000 1.073 404 L CA 1.949 56.776 54.840 -0.021 0.000 0.748 404 L CB -1.184 40.867 42.059 -0.014 0.000 0.891 404 L HN 0.236 nan 8.230 nan 0.000 0.431 405 A N -0.490 122.304 122.820 -0.044 0.000 1.892 405 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 405 A C 2.446 179.991 177.584 -0.065 0.000 1.188 405 A CA 2.297 54.295 52.037 -0.065 0.000 0.631 405 A CB -1.264 17.684 19.000 -0.087 0.000 0.822 405 A HN 0.601 nan 8.150 nan 0.000 0.447 406 A N -0.365 122.422 122.820 -0.056 0.000 1.930 406 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 406 A C 1.247 178.803 177.584 -0.045 0.000 1.175 406 A CA 1.017 53.021 52.037 -0.054 0.000 0.627 406 A CB -0.359 18.614 19.000 -0.046 0.000 0.815 406 A HN 0.672 nan 8.150 nan 0.000 0.443 410 A N 0.386 123.177 122.820 -0.049 0.000 2.070 410 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 410 A C 1.888 179.452 177.584 -0.033 0.000 1.159 410 A CA 1.724 53.736 52.037 -0.041 0.000 0.656 410 A CB -0.419 18.562 19.000 -0.033 0.000 0.800 410 A HN 0.496 nan 8.150 nan 0.000 0.453 411 R N -1.430 119.051 120.500 -0.031 0.000 2.365 411 R HA 0.341 4.681 4.340 -0.000 0.000 0.223 411 R C -0.413 175.874 176.300 -0.023 0.000 0.899 411 R CA -0.295 55.792 56.100 -0.022 0.000 1.059 411 R CB 0.120 30.411 30.300 -0.015 0.000 1.086 411 R HN 0.350 nan 8.270 nan 0.000 0.522 412 L N 2.148 123.352 121.223 -0.032 0.000 2.360 412 L HA 0.081 4.421 4.340 -0.000 0.000 0.276 412 L C 0.163 177.013 176.870 -0.033 0.000 1.121 412 L CA 0.203 55.024 54.840 -0.032 0.000 0.845 412 L CB 0.931 42.964 42.059 -0.043 0.000 1.143 412 L HN 0.034 nan 8.230 nan 0.000 0.452 413 E N 3.279 123.465 120.200 -0.024 0.000 2.122 413 E HA 0.226 4.576 4.350 -0.000 0.000 0.288 413 E C -0.974 175.609 176.600 -0.028 0.000 1.260 413 E CA -0.273 56.113 56.400 -0.023 0.000 1.344 413 E CB 0.248 29.941 29.700 -0.012 0.000 1.337 413 E HN 0.468 nan 8.360 nan 0.000 0.484 414 C N -1.044 118.230 119.300 -0.044 0.000 3.241 414 C HA 0.448 4.908 4.460 -0.000 0.000 0.312 414 C C 1.620 176.559 174.990 -0.085 0.000 1.350 414 C CA -0.834 58.150 59.018 -0.056 0.000 1.415 414 C CB 1.581 29.292 27.740 -0.048 0.000 1.770 414 C HN 0.683 nan 8.230 nan 0.000 0.466 415 G N -0.151 108.579 108.800 -0.117 0.000 2.880 415 G HA2 0.469 4.429 3.960 -0.000 0.000 0.209 415 G HA3 0.469 4.429 3.960 -0.000 0.000 0.209 415 G C 0.442 175.243 174.900 -0.166 0.000 1.157 415 G CA 0.752 45.758 45.100 -0.158 0.000 0.779 415 G HN 1.204 nan 8.290 nan 0.000 0.539 416 G N -0.913 107.813 108.800 -0.123 0.000 2.731 416 G HA2 0.489 4.449 3.960 -0.000 0.000 0.298 416 G HA3 0.489 4.449 3.960 -0.000 0.000 0.298 416 G C -1.901 172.944 174.900 -0.092 0.000 1.424 416 G CA -0.360 44.670 45.100 -0.117 0.000 1.029 416 G HN 0.259 nan 8.290 nan 0.000 0.518 417 V N 1.639 121.400 119.914 -0.254 0.000 2.525 417 V HA 0.535 4.655 4.120 -0.000 0.000 0.299 417 V C -1.145 174.717 176.094 -0.386 0.000 1.034 417 V CA -0.704 61.488 62.300 -0.181 0.000 0.863 417 V CB 1.439 33.171 31.823 -0.151 0.000 0.999 417 V HN 0.630 nan 8.190 nan 0.000 0.423 418 F N 4.743 124.633 119.950 -0.099 0.000 2.411 418 F HA 0.614 5.141 4.527 -0.000 0.000 0.352 418 F C 0.206 175.878 175.800 -0.213 0.000 1.123 418 F CA -0.478 57.454 58.000 -0.114 0.000 1.044 418 F CB 1.489 40.455 39.000 -0.056 0.000 1.135 418 F HN 0.263 nan 8.300 nan 0.000 0.461 419 I N 3.720 124.216 120.570 -0.123 0.000 2.312 419 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 419 I C -0.118 175.771 176.117 -0.379 0.000 1.008 419 I CA -0.552 60.597 61.300 -0.251 0.000 1.226 419 I CB 0.748 38.634 38.000 -0.190 0.000 1.371 419 I HN 0.707 nan 8.210 nan 0.000 0.468 420 N N 3.864 122.064 118.700 -0.834 0.000 2.725 420 N HA -0.169 4.571 4.740 -0.000 0.000 0.251 420 N C -0.078 175.064 175.510 -0.612 0.000 1.031 420 N CA 0.531 52.837 53.050 -1.239 0.000 0.720 420 N CB -0.635 37.523 38.487 -0.548 0.000 0.930 420 N HN 0.932 nan 8.380 nan 0.000 0.543 421 G N -1.001 107.561 108.800 -0.396 0.000 2.634 421 G HA2 0.506 4.466 3.960 -0.000 0.000 0.309 421 G HA3 0.506 4.466 3.960 -0.000 0.000 0.309 421 G C -1.942 173.047 174.900 0.147 0.000 1.299 421 G CA -0.849 44.299 45.100 0.081 0.000 0.798 421 G HN 0.131 nan 8.290 nan 0.000 0.490 422 Y N 1.660 122.043 120.300 0.138 0.000 2.353 422 Y HA 0.471 5.021 4.550 0.000 0.000 0.340 422 Y C 1.136 176.844 175.900 -0.319 0.000 0.972 422 Y CA -0.507 57.617 58.100 0.041 0.000 1.157 422 Y CB 1.691 40.178 38.460 0.044 0.000 1.157 422 Y HN 0.565 nan 8.280 nan 0.000 0.495 423 S N 2.323 117.758 115.700 -0.442 0.000 2.572 423 S HA 0.803 5.273 4.470 -0.000 0.000 0.279 423 S C -0.087 174.116 174.600 -0.663 0.000 1.341 423 S CA -0.273 57.109 58.200 -1.364 0.000 1.043 423 S CB 1.318 63.993 63.200 -0.875 0.000 0.887 423 S HN 0.894 nan 8.310 nan 0.000 0.516 424 A N 1.626 124.067 122.820 -0.631 0.000 2.586 424 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 424 A C -0.208 177.374 177.584 -0.003 0.000 1.062 424 A CA -0.601 51.309 52.037 -0.210 0.000 0.666 424 A CB 0.546 19.438 19.000 -0.181 0.000 1.281 424 A HN 1.596 nan 8.150 nan 0.000 0.421 425 S N 0.707 116.343 115.700 -0.107 0.000 2.610 425 S HA 0.712 5.182 4.470 -0.000 0.000 0.273 425 S C -0.666 173.882 174.600 -0.088 0.000 1.274 425 S CA -0.293 57.857 58.200 -0.084 0.000 1.023 425 S CB 1.460 64.413 63.200 -0.411 0.000 0.962 425 S HN 0.824 nan 8.310 nan 0.000 0.523 426 D N -0.018 120.377 120.400 -0.008 0.000 2.927 426 D HA 0.383 5.023 4.640 -0.000 0.000 0.219 426 D C 0.707 176.913 176.300 -0.157 0.000 1.248 426 D CA -0.437 53.505 54.000 -0.097 0.000 0.861 426 D CB 1.992 42.744 40.800 -0.081 0.000 1.677 426 D HN 0.571 nan 8.370 nan 0.000 0.511 427 A N 3.651 126.278 122.820 -0.323 0.000 2.032 427 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 427 A C 1.804 178.814 177.584 -0.957 0.000 1.165 427 A CA 1.356 52.999 52.037 -0.657 0.000 0.645 427 A CB -0.211 18.140 19.000 -1.082 0.000 0.807 427 A HN 0.633 nan 8.150 nan 0.000 0.453 428 R N -1.087 118.968 120.500 -0.743 0.000 2.276 428 R HA 0.125 4.465 4.340 -0.000 0.000 0.203 428 R C 0.315 176.542 176.300 -0.120 0.000 1.017 428 R CA 0.789 56.625 56.100 -0.439 0.000 1.010 428 R CB -0.120 30.043 30.300 -0.229 0.000 0.900 428 R HN 0.550 nan 8.270 nan 0.000 0.469 429 V N -4.226 115.640 119.914 -0.080 0.000 3.102 429 V HA 0.789 4.909 4.120 -0.000 0.000 0.312 429 V C -0.458 175.675 176.094 0.065 0.000 1.135 429 V CA -1.583 60.733 62.300 0.026 0.000 1.022 429 V CB 1.730 33.559 31.823 0.009 0.000 1.056 429 V HN -0.027 nan 8.190 nan 0.000 0.436 430 A N 2.161 124.981 122.820 -0.001 0.000 2.407 430 A HA 0.713 5.033 4.320 -0.000 0.000 0.248 430 A C -0.845 176.755 177.584 0.027 0.000 1.082 430 A CA 0.035 51.994 52.037 -0.129 0.000 0.785 430 A CB 0.030 18.627 19.000 -0.673 0.000 1.020 430 A HN 1.439 nan 8.150 nan 0.000 0.489 431 F N 1.010 120.908 119.950 -0.085 0.000 2.547 431 F HA 0.644 5.171 4.527 0.000 0.000 0.316 431 F C 0.287 176.062 175.800 -0.041 0.000 1.121 431 F CA 0.793 58.777 58.000 -0.027 0.000 0.911 431 F CB 1.958 40.978 39.000 0.033 0.000 1.179 431 F HN 1.189 nan 8.300 nan 0.000 0.443 432 G N 2.307 110.722 108.800 -0.641 0.000 2.353 432 G HA2 0.458 4.418 3.960 -0.000 0.000 0.308 432 G HA3 0.458 4.418 3.960 -0.000 0.000 0.308 432 G C -1.515 173.177 174.900 -0.347 0.000 1.418 432 G CA -0.207 44.645 45.100 -0.414 0.000 0.966 432 G HN 1.174 nan 8.290 nan 0.000 0.638 433 G N -1.827 106.845 108.800 -0.215 0.000 3.251 433 G HA2 1.062 5.022 3.960 -0.000 0.000 0.248 433 G HA3 1.062 5.022 3.960 -0.000 0.000 0.248 433 G C -0.123 174.741 174.900 -0.060 0.000 1.320 433 G CA 0.529 45.544 45.100 -0.142 0.000 0.982 433 G HN 2.066 nan 8.290 nan 0.000 0.575 434 V N -3.684 116.211 119.914 -0.032 0.000 3.145 434 V HA 0.846 4.966 4.120 -0.000 0.000 0.311 434 V C 0.537 176.634 176.094 0.005 0.000 1.238 434 V CA -0.329 61.971 62.300 0.000 0.000 1.066 434 V CB 0.969 32.785 31.823 -0.013 0.000 1.144 434 V HN 1.113 nan 8.190 nan 0.000 0.465 435 K N -0.810 119.594 120.400 0.006 0.000 1.939 435 K HA -0.261 4.059 4.320 -0.000 0.000 0.165 435 K C 0.993 177.572 176.600 -0.035 0.000 1.508 435 K CA 1.822 58.096 56.287 -0.022 0.000 0.525 435 K CB -1.142 31.329 32.500 -0.048 0.000 0.615 435 K HN 0.813 nan 8.250 nan 0.000 0.888 436 K N 1.095 121.421 120.400 -0.123 0.000 2.525 436 K HA 0.060 4.380 4.320 -0.000 0.000 0.192 436 K C 1.416 177.979 176.600 -0.061 0.000 1.029 436 K CA 0.679 56.871 56.287 -0.158 0.000 1.029 436 K CB 0.087 32.371 32.500 -0.359 0.000 0.814 436 K HN 0.276 nan 8.250 nan 0.000 0.503 437 S N 0.443 116.155 115.700 0.019 0.000 2.561 437 S HA 0.048 4.518 4.470 -0.000 0.000 0.225 437 S C 1.002 175.583 174.600 -0.032 0.000 0.977 437 S CA 0.580 58.821 58.200 0.067 0.000 0.926 437 S CB 0.187 63.431 63.200 0.073 0.000 0.769 437 S HN 0.664 nan 8.310 nan 0.000 0.533 438 G N 1.179 109.947 108.800 -0.054 0.000 2.460 438 G HA2 0.084 4.044 3.960 -0.000 0.000 0.207 438 G HA3 0.084 4.044 3.960 -0.000 0.000 0.207 438 G C -0.956 173.912 174.900 -0.053 0.000 1.170 438 G CA -0.398 44.590 45.100 -0.187 0.000 1.151 438 G HN 0.776 nan 8.290 nan 0.000 0.575 439 F N -2.290 117.649 119.950 -0.018 0.000 2.799 439 F HA 0.732 5.259 4.527 -0.000 0.000 0.316 439 F C 0.425 176.214 175.800 -0.018 0.000 1.155 439 F CA 0.083 58.067 58.000 -0.027 0.000 0.916 439 F CB 0.835 39.821 39.000 -0.024 0.000 1.294 439 F HN 2.550 nan 8.300 nan 0.000 0.447 440 G N 1.411 110.376 108.800 0.276 0.000 2.730 440 G HA2 0.320 4.280 3.960 -0.000 0.000 0.686 440 G HA3 0.320 4.280 3.960 -0.000 0.000 0.686 440 G C -1.745 173.187 174.900 0.054 0.000 1.343 440 G CA -1.026 44.166 45.100 0.154 0.000 0.826 440 G HN 0.869 nan 8.290 nan 0.000 0.582 441 R N 0.417 120.950 120.500 0.054 0.000 2.686 441 R HA 0.565 4.905 4.340 -0.000 0.000 0.283 441 R C -0.098 176.277 176.300 0.125 0.000 0.978 441 R CA -0.729 55.388 56.100 0.028 0.000 0.897 441 R CB 1.952 32.183 30.300 -0.115 0.000 1.192 441 R HN 0.766 nan 8.270 nan 0.000 0.457 442 E N 1.771 122.068 120.200 0.162 0.000 2.232 442 E HA 0.600 4.950 4.350 -0.000 0.000 0.264 442 E C -0.130 176.600 176.600 0.217 0.000 0.973 442 E CA -0.894 55.623 56.400 0.195 0.000 0.849 442 E CB 1.571 31.380 29.700 0.181 0.000 1.198 442 E HN 0.323 nan 8.360 nan 0.000 0.407 443 L N 0.159 121.512 121.223 0.217 0.000 0.640 443 L HA -0.344 3.996 4.340 -0.000 0.000 0.356 443 L C 0.726 177.767 176.870 0.284 0.000 0.995 443 L CA 0.561 55.550 54.840 0.249 0.000 1.223 443 L CB -1.377 40.767 42.059 0.142 0.000 0.095 443 L HN 0.914 nan 8.230 nan 0.000 0.099 444 S N -0.215 115.586 115.700 0.169 0.000 3.144 444 S HA -0.326 4.144 4.470 -0.000 0.000 0.629 444 S C 1.067 175.776 174.600 0.182 0.000 2.962 444 S CA 2.098 60.395 58.200 0.162 0.000 3.700 444 S CB -0.496 62.798 63.200 0.156 0.000 0.286 444 S HN 1.469 nan 8.310 nan 0.000 1.464 445 H N -0.097 118.917 119.070 -0.094 0.000 2.548 445 H HA 0.328 4.884 4.556 -0.000 0.000 0.268 445 H C 1.712 176.744 175.328 -0.493 0.000 0.975 445 H CA 1.366 57.176 56.048 -0.397 0.000 1.195 445 H CB -0.587 28.833 29.762 -0.570 0.000 1.397 445 H HN 0.374 nan 8.280 nan 0.000 0.572 446 F N 1.527 121.293 119.950 -0.306 0.000 2.102 446 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 446 F C 2.791 178.585 175.800 -0.009 0.000 1.105 446 F CA 1.349 59.276 58.000 -0.122 0.000 1.239 446 F CB -0.776 38.142 39.000 -0.137 0.000 0.991 446 F HN 0.399 nan 8.300 nan 0.000 0.474 447 G N -0.322 108.607 108.800 0.215 0.000 2.471 447 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 447 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 447 G C 1.582 176.572 174.900 0.150 0.000 1.125 447 G CA 0.569 45.781 45.100 0.187 0.000 0.775 447 G HN 0.279 nan 8.290 nan 0.000 0.548 448 L N -0.399 120.870 121.223 0.076 0.000 2.095 448 L HA 0.177 4.517 4.340 -0.000 0.000 0.204 448 L C 2.483 179.431 176.870 0.131 0.000 1.080 448 L CA 1.624 56.492 54.840 0.046 0.000 0.759 448 L CB -0.353 41.690 42.059 -0.028 0.000 0.914 448 L HN 0.379 nan 8.230 nan 0.000 0.439 449 H N -1.660 117.454 119.070 0.074 0.000 2.535 449 H HA 0.025 4.581 4.556 -0.000 0.000 0.273 449 H C 1.675 177.042 175.328 0.066 0.000 0.983 449 H CA 0.282 56.374 56.048 0.073 0.000 1.238 449 H CB 0.430 30.217 29.762 0.042 0.000 1.412 449 H HN 0.306 nan 8.280 nan 0.000 0.562 450 E N 0.823 121.076 120.200 0.088 0.000 2.130 450 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 450 E C 0.154 176.465 176.600 -0.482 0.000 0.998 450 E CA 1.112 57.367 56.400 -0.242 0.000 0.806 450 E CB -0.022 29.403 29.700 -0.458 0.000 0.738 450 E HN 0.483 nan 8.360 nan 0.000 0.459 451 F N -0.324 119.722 119.950 0.160 0.000 2.923 451 F HA 0.189 4.716 4.527 -0.000 0.000 0.314 451 F C 0.186 176.077 175.800 0.151 0.000 1.196 451 F CA -0.540 57.537 58.000 0.129 0.000 1.320 451 F CB 0.338 39.398 39.000 0.100 0.000 0.953 451 F HN -0.192 nan 8.300 nan 0.000 0.505 452 C N 0.467 119.919 119.300 0.254 0.000 2.397 452 C HA 0.396 4.856 4.460 -0.000 0.000 0.343 452 C C 0.575 175.669 174.990 0.173 0.000 1.188 452 C CA -1.026 58.144 59.018 0.255 0.000 1.992 452 C CB 1.096 29.045 27.740 0.349 0.000 2.358 452 C HN 0.461 nan 8.230 nan 0.000 0.518 453 N N 1.468 120.255 118.700 0.145 0.000 2.439 453 N HA 0.179 4.919 4.740 -0.000 0.000 0.243 453 N C -0.673 174.852 175.510 0.025 0.000 1.088 453 N CA -0.018 53.081 53.050 0.082 0.000 0.940 453 N CB 0.519 39.057 38.487 0.085 0.000 1.180 453 N HN 0.419 nan 8.380 nan 0.000 0.505 454 V N 4.254 124.155 119.914 -0.022 0.000 2.421 454 V HA 0.081 4.201 4.120 -0.000 0.000 0.271 454 V C 0.444 176.456 176.094 -0.136 0.000 1.031 454 V CA 0.043 62.244 62.300 -0.166 0.000 1.032 454 V CB 0.156 31.887 31.823 -0.154 0.000 1.009 454 V HN 0.656 nan 8.190 nan 0.000 0.477 455 Q N 3.595 123.293 119.800 -0.170 0.000 2.325 455 Q HA 0.363 4.703 4.340 -0.000 0.000 0.270 455 Q C -0.583 175.358 176.000 -0.099 0.000 1.020 455 Q CA -0.528 55.221 55.803 -0.090 0.000 0.785 455 Q CB 1.772 30.482 28.738 -0.047 0.000 1.259 455 Q HN 0.717 nan 8.270 nan 0.000 0.452 456 T N 2.592 117.116 114.554 -0.049 0.000 2.869 456 T HA 0.330 4.680 4.350 -0.000 0.000 0.295 456 T C -0.535 174.180 174.700 0.025 0.000 0.987 456 T CA -0.224 61.863 62.100 -0.022 0.000 1.109 456 T CB 0.784 69.675 68.868 0.038 0.000 0.932 456 T HN 0.358 nan 8.240 nan 0.000 0.518 457 V N 4.532 124.459 119.914 0.022 0.000 2.443 457 V HA 0.445 4.565 4.120 -0.000 0.000 0.293 457 V C -1.034 175.140 176.094 0.134 0.000 1.021 457 V CA -1.001 61.340 62.300 0.068 0.000 0.848 457 V CB 1.541 33.380 31.823 0.026 0.000 0.998 457 V HN 0.822 nan 8.190 nan 0.000 0.424 458 W N 6.954 128.238 121.300 -0.026 0.000 2.647 458 W HA 0.571 5.231 4.660 -0.000 0.000 0.328 458 W C -0.431 176.078 176.519 -0.018 0.000 1.018 458 W CA -1.553 55.778 57.345 -0.022 0.000 1.245 458 W CB 2.073 31.519 29.460 -0.022 0.000 1.356 458 W HN 0.689 nan 8.180 nan 0.000 0.443 459 K N 3.307 123.952 120.400 0.408 0.000 2.118 459 K HA 0.483 4.803 4.320 -0.000 0.000 0.254 459 K C 0.233 176.963 176.600 0.217 0.000 0.961 459 K CA -0.455 55.961 56.287 0.216 0.000 0.876 459 K CB 1.040 33.615 32.500 0.126 0.000 1.077 459 K HN 0.565 nan 8.250 nan 0.000 0.440 460 N N 0.136 118.881 118.700 0.075 0.000 2.735 460 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 460 N C -0.929 174.578 175.510 -0.006 0.000 1.083 460 N CA 0.447 53.519 53.050 0.037 0.000 0.703 460 N CB -0.962 37.565 38.487 0.067 0.000 1.005 460 N HN 0.624 nan 8.380 nan 0.000 0.550 461 R N 1.371 121.763 120.500 -0.181 0.000 2.309 461 R HA 0.382 4.722 4.340 -0.000 0.000 0.331 461 R C -0.714 175.443 176.300 -0.238 0.000 1.116 461 R CA -0.029 55.840 56.100 -0.385 0.000 0.970 461 R CB 0.329 29.966 30.300 -1.105 0.000 1.024 461 R HN 0.080 nan 8.270 nan 0.000 0.472 462 V N 0.000 119.841 119.914 -0.122 0.000 2.409 462 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 462 V CA 0.000 62.249 62.300 -0.085 0.000 1.235 462 V CB 0.000 31.793 31.823 -0.051 0.000 1.184 462 V HN 0.000 nan 8.190 nan 0.000 0.556