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 2onh_1_A DATA FIRST_RESID 57 DATA SEQUENCE MRRSGNYNPS RWDVNFIQSL LSDYKEDKHV IRASELVTLV KMELEKETDQ DATA SEQUENCE IRQLELIDDL QRMGLSDHFQ NEFKEILSSI YLDHHYYKNP FPKEERDLYS DATA SEQUENCE TSLAFRLLRE HGFQVAQEVF DSFKNEEGEF KESLSDDTRG LLQLYEASFL DATA SEQUENCE LTEGETTLES AREFATKFLE EKVNEGGVDG DLLTRIAYSL DIPLHWRIKR DATA SEQUENCE PNAPVWIEWY RKRPDMNPVV LELAILDLNI VQAQFQEELK ESFRWWRNTG DATA SEQUENCE FVEKLPFARD RLVECYFWNT GIIEPRQHAS ARIMMGKVNA LITVIDDIYD DATA SEQUENCE VYGTLEELEQ FTDLIRRWDI NSIDQLPDYM QLCFLALNNF VDDTSYDVMK DATA SEQUENCE EKGVNVIPYL RQSWVDLADK YMVEARWFYG GHKPSLEEYL ENSWQSISGP DATA SEQUENCE CMLTHIFFRV TDSFTKETVD SLYKYHDLVR WSSFVLRLAD DLGTSVEEVS DATA SEQUENCE RGDVPKSLQC YMSDYNASEA EARKHVKWLI AEVWKKMNAE RVSKDSPFGK DATA SEQUENCE DFIGCAVDLG RMAQLMYHNG DGHGTQHPII HQQMTRTLFE PFA 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 57 M HA 0.000 nan 4.480 nan 0.000 0.227 57 M C 0.000 176.249 176.300 -0.084 0.000 1.140 57 M CA 0.000 55.271 55.300 -0.048 0.000 0.988 57 M CB 0.000 32.572 32.600 -0.046 0.000 1.302 58 R N 1.454 121.891 120.500 -0.106 0.000 2.225 58 R HA 0.546 4.886 4.340 -0.001 0.000 0.139 58 R C 0.212 176.436 176.300 -0.126 0.000 0.745 58 R CA 0.938 56.919 56.100 -0.199 0.000 1.634 58 R CB 0.207 30.364 30.300 -0.239 0.000 1.019 58 R HN 0.356 nan 8.270 nan 0.000 0.629 59 R N -2.170 118.257 120.500 -0.123 0.000 2.464 59 R HA 0.231 4.571 4.340 -0.001 0.000 0.282 59 R C -0.631 175.668 176.300 -0.002 0.000 0.670 59 R CA -0.237 55.839 56.100 -0.039 0.000 0.910 59 R CB -0.445 29.851 30.300 -0.007 0.000 1.533 59 R HN 0.177 nan 8.270 nan 0.000 0.536 60 S N 1.542 117.269 115.700 0.045 0.000 2.715 60 S HA 0.009 4.479 4.470 -0.001 0.000 0.318 60 S C 1.193 175.788 174.600 -0.009 0.000 1.242 60 S CA 0.869 59.136 58.200 0.112 0.000 1.044 60 S CB 0.514 63.812 63.200 0.164 0.000 0.760 60 S HN 0.544 nan 8.310 nan 0.000 0.501 61 G N 3.643 112.385 108.800 -0.098 0.000 3.574 61 G HA2 0.159 4.119 3.960 -0.001 0.000 0.262 61 G HA3 0.159 4.119 3.960 -0.001 0.000 0.262 61 G C 0.093 174.668 174.900 -0.541 0.000 1.231 61 G CA -0.598 44.335 45.100 -0.279 0.000 1.608 61 G HN 0.910 nan 8.290 nan 0.000 0.628 62 N N -0.376 118.149 118.700 -0.292 0.000 2.696 62 N HA -0.214 4.526 4.740 -0.001 0.000 0.306 62 N C -0.710 174.622 175.510 -0.297 0.000 1.240 62 N CA 0.961 53.888 53.050 -0.206 0.000 0.704 62 N CB -0.119 38.311 38.487 -0.095 0.000 1.027 62 N HN 0.432 nan 8.380 nan 0.000 0.544 63 Y N 1.320 121.666 120.300 0.076 0.000 2.730 63 Y HA 0.560 5.109 4.550 -0.001 0.000 0.325 63 Y C 0.790 176.728 175.900 0.063 0.000 1.132 63 Y CA -0.989 57.157 58.100 0.078 0.000 1.206 63 Y CB 1.311 39.824 38.460 0.088 0.000 1.390 63 Y HN 0.427 nan 8.280 nan 0.000 0.555 64 N N -0.133 118.735 118.700 0.279 0.000 2.380 64 N HA 0.488 5.227 4.740 -0.001 0.000 0.290 64 N C -2.955 172.625 175.510 0.116 0.000 1.236 64 N CA -1.786 51.354 53.050 0.150 0.000 0.780 64 N CB 1.886 40.437 38.487 0.106 0.000 1.438 64 N HN 0.217 nan 8.380 nan 0.000 0.491 65 P HA 0.057 nan 4.420 nan 0.000 0.276 65 P C -0.605 176.726 177.300 0.051 0.000 1.230 65 P CA -0.080 63.064 63.100 0.074 0.000 0.776 65 P CB 0.735 32.469 31.700 0.057 0.000 0.888 66 S N 2.351 118.113 115.700 0.104 0.000 2.673 66 S HA -0.061 4.408 4.470 -0.001 0.000 0.308 66 S C 1.584 176.180 174.600 -0.007 0.000 1.246 66 S CA -0.055 58.222 58.200 0.129 0.000 1.077 66 S CB -0.199 63.175 63.200 0.289 0.000 0.814 66 S HN 0.286 nan 8.310 nan 0.000 0.503 67 R N 3.241 123.550 120.500 -0.319 0.000 2.139 67 R HA -0.076 4.264 4.340 -0.001 0.000 0.243 67 R C 0.228 176.147 176.300 -0.635 0.000 1.145 67 R CA 1.228 56.923 56.100 -0.675 0.000 0.976 67 R CB 0.115 29.646 30.300 -1.282 0.000 0.866 67 R HN 0.653 nan 8.270 nan 0.000 0.449 68 W N 1.452 122.758 121.300 0.009 0.000 2.496 68 W HA 0.226 4.885 4.660 -0.001 0.000 0.327 68 W C -0.255 176.314 176.519 0.083 0.000 1.086 68 W CA -1.410 55.956 57.345 0.035 0.000 1.222 68 W CB 0.672 30.208 29.460 0.127 0.000 1.304 68 W HN 0.037 nan 8.180 nan 0.000 0.547 69 D N -0.731 119.836 120.400 0.278 0.000 2.414 69 D HA 0.255 4.895 4.640 -0.001 0.000 0.241 69 D C 0.664 177.060 176.300 0.159 0.000 1.008 69 D CA -0.790 53.355 54.000 0.241 0.000 1.001 69 D CB 1.794 42.696 40.800 0.169 0.000 1.277 69 D HN 0.099 nan 8.370 nan 0.000 0.538 70 V N 1.880 121.940 119.914 0.244 0.000 2.250 70 V HA -0.386 3.734 4.120 -0.001 0.000 0.253 70 V C 1.613 177.736 176.094 0.048 0.000 1.065 70 V CA 2.780 65.196 62.300 0.193 0.000 1.039 70 V CB -1.214 30.858 31.823 0.416 0.000 0.647 70 V HN 0.701 nan 8.190 nan 0.000 0.446 71 N N -1.141 117.615 118.700 0.094 0.000 2.091 71 N HA -0.239 4.501 4.740 -0.001 0.000 0.193 71 N C 1.723 177.264 175.510 0.052 0.000 1.021 71 N CA 2.057 55.148 53.050 0.068 0.000 0.862 71 N CB -0.339 38.196 38.487 0.080 0.000 1.018 71 N HN 0.700 nan 8.380 nan 0.000 0.429 72 F N 1.446 121.337 119.950 -0.098 0.000 2.074 72 F HA -0.031 4.495 4.527 -0.001 0.000 0.293 72 F C 1.940 177.592 175.800 -0.247 0.000 1.116 72 F CA 0.918 58.819 58.000 -0.165 0.000 1.212 72 F CB -0.427 38.466 39.000 -0.178 0.000 0.998 72 F HN -0.089 nan 8.300 nan 0.000 0.471 73 I N 0.789 121.085 120.570 -0.458 0.000 2.052 73 I HA -0.318 3.852 4.170 -0.001 0.000 0.235 73 I C 2.396 178.214 176.117 -0.498 0.000 1.046 73 I CA 1.505 62.390 61.300 -0.691 0.000 1.308 73 I CB -1.681 35.679 38.000 -1.067 0.000 1.031 73 I HN 0.270 nan 8.210 nan 0.000 0.395 74 Q N 0.491 120.100 119.800 -0.319 0.000 2.297 74 Q HA -0.167 4.172 4.340 -0.001 0.000 0.208 74 Q C 2.357 178.294 176.000 -0.106 0.000 0.981 74 Q CA 1.759 57.499 55.803 -0.105 0.000 0.876 74 Q CB -0.383 28.392 28.738 0.061 0.000 0.921 74 Q HN 0.707 nan 8.270 nan 0.000 0.446 75 S N -0.213 115.394 115.700 -0.156 0.000 2.341 75 S HA -0.037 4.432 4.470 -0.001 0.000 0.216 75 S C 1.015 175.522 174.600 -0.156 0.000 1.034 75 S CA -0.222 57.910 58.200 -0.114 0.000 0.964 75 S CB -0.485 62.672 63.200 -0.072 0.000 0.882 75 S HN 0.370 nan 8.310 nan 0.000 0.469 76 L N 1.586 122.630 121.223 -0.299 0.000 4.444 76 L HA -0.147 4.193 4.340 -0.001 0.000 0.550 76 L C -0.740 176.059 176.870 -0.118 0.000 1.072 76 L CA 0.412 55.088 54.840 -0.274 0.000 0.526 76 L CB -0.488 41.359 42.059 -0.353 0.000 0.633 76 L HN 0.559 nan 8.230 nan 0.000 1.083 77 L N 3.578 124.765 121.223 -0.060 0.000 2.513 77 L HA 0.114 4.454 4.340 -0.001 0.000 0.256 77 L C -0.022 176.852 176.870 0.008 0.000 1.163 77 L CA 0.234 55.062 54.840 -0.021 0.000 0.895 77 L CB 1.407 43.455 42.059 -0.019 0.000 1.076 77 L HN 0.664 nan 8.230 nan 0.000 0.491 78 S N 0.306 116.026 115.700 0.034 0.000 2.548 78 S HA 0.179 4.649 4.470 -0.001 0.000 0.277 78 S C 0.625 175.230 174.600 0.008 0.000 1.315 78 S CA -0.434 57.809 58.200 0.072 0.000 1.050 78 S CB 0.560 63.865 63.200 0.175 0.000 0.918 78 S HN 0.553 nan 8.310 nan 0.000 0.497 79 D N 3.484 123.830 120.400 -0.090 0.000 2.494 79 D HA -0.004 4.636 4.640 -0.001 0.000 0.249 79 D C -0.290 175.766 176.300 -0.406 0.000 1.223 79 D CA 0.356 54.251 54.000 -0.176 0.000 0.865 79 D CB -0.273 40.425 40.800 -0.170 0.000 0.974 79 D HN 0.694 nan 8.370 nan 0.000 0.491 80 Y N 0.513 120.669 120.300 -0.241 0.000 2.481 80 Y HA 0.085 4.634 4.550 -0.001 0.000 0.247 80 Y C 1.454 177.098 175.900 -0.427 0.000 1.151 80 Y CA -0.198 57.508 58.100 -0.656 0.000 1.238 80 Y CB 0.570 38.775 38.460 -0.425 0.000 1.179 80 Y HN -0.093 nan 8.280 nan 0.000 0.524 81 K N -0.140 120.230 120.400 -0.050 0.000 2.551 81 K HA 0.055 4.374 4.320 -0.001 0.000 0.192 81 K C -0.354 176.291 176.600 0.076 0.000 1.027 81 K CA 0.353 56.650 56.287 0.016 0.000 1.059 81 K CB -0.116 32.396 32.500 0.021 0.000 0.831 81 K HN 0.106 nan 8.250 nan 0.000 0.508 82 E N 0.744 121.052 120.200 0.182 0.000 2.214 82 E HA 0.138 4.488 4.350 -0.001 0.000 0.274 82 E C -0.270 176.522 176.600 0.320 0.000 0.977 82 E CA -0.532 56.023 56.400 0.259 0.000 0.827 82 E CB 1.306 31.177 29.700 0.285 0.000 1.130 82 E HN -0.008 nan 8.360 nan 0.000 0.394 83 D N 1.731 122.218 120.400 0.144 0.000 2.263 83 D HA -0.159 4.480 4.640 -0.001 0.000 0.208 83 D C 0.948 177.274 176.300 0.043 0.000 0.971 83 D CA 1.048 55.108 54.000 0.100 0.000 0.867 83 D CB 0.075 40.903 40.800 0.047 0.000 0.929 83 D HN 0.387 nan 8.370 nan 0.000 0.492 84 K N 0.094 120.446 120.400 -0.080 0.000 2.015 84 K HA -0.250 4.070 4.320 -0.001 0.000 0.216 84 K C 1.917 178.391 176.600 -0.209 0.000 1.052 84 K CA 1.611 57.761 56.287 -0.229 0.000 0.937 84 K CB -0.722 31.518 32.500 -0.433 0.000 0.719 84 K HN 0.367 nan 8.250 nan 0.000 0.446 85 H N 0.985 120.087 119.070 0.053 0.000 2.256 85 H HA -0.063 4.492 4.556 -0.001 0.000 0.299 85 H C 2.289 177.652 175.328 0.059 0.000 1.071 85 H CA 1.190 57.290 56.048 0.087 0.000 1.280 85 H CB -1.115 28.757 29.762 0.182 0.000 1.370 85 H HN -0.099 nan 8.280 nan 0.000 0.490 86 V N 1.272 121.345 119.914 0.264 0.000 2.257 86 V HA -0.337 3.783 4.120 -0.001 0.000 0.257 86 V C 2.387 178.522 176.094 0.069 0.000 1.077 86 V CA 2.448 64.829 62.300 0.135 0.000 1.063 86 V CB -0.690 31.201 31.823 0.113 0.000 0.664 86 V HN 0.416 nan 8.190 nan 0.000 0.450 87 I N -0.521 120.080 120.570 0.051 0.000 2.406 87 I HA -0.147 4.023 4.170 -0.001 0.000 0.249 87 I C 2.651 178.774 176.117 0.010 0.000 1.122 87 I CA 1.485 62.796 61.300 0.019 0.000 1.431 87 I CB -0.559 37.446 38.000 0.009 0.000 1.087 87 I HN 0.282 nan 8.210 nan 0.000 0.424 88 R N 2.559 123.069 120.500 0.016 0.000 2.083 88 R HA -0.155 4.184 4.340 -0.001 0.000 0.237 88 R C 2.208 178.519 176.300 0.018 0.000 1.137 88 R CA 2.183 58.292 56.100 0.016 0.000 0.951 88 R CB -0.833 29.480 30.300 0.021 0.000 0.851 88 R HN 0.298 nan 8.270 nan 0.000 0.434 89 A N -0.356 122.482 122.820 0.029 0.000 1.933 89 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 89 A C 2.280 179.815 177.584 -0.081 0.000 1.175 89 A CA 1.735 53.765 52.037 -0.011 0.000 0.628 89 A CB -0.741 18.259 19.000 0.001 0.000 0.814 89 A HN 0.458 nan 8.150 nan 0.000 0.444 90 S N -0.358 115.308 115.700 -0.057 0.000 2.547 90 S HA -0.079 4.391 4.470 -0.001 0.000 0.235 90 S C 1.629 176.194 174.600 -0.058 0.000 0.980 90 S CA 1.210 59.363 58.200 -0.079 0.000 0.941 90 S CB -0.241 62.939 63.200 -0.032 0.000 0.763 90 S HN 0.875 nan 8.310 nan 0.000 0.532 91 E N -0.245 119.936 120.200 -0.032 0.000 2.364 91 E HA 0.135 4.484 4.350 -0.001 0.000 0.203 91 E C 1.789 178.392 176.600 0.005 0.000 0.888 91 E CA -0.077 56.318 56.400 -0.009 0.000 0.989 91 E CB -0.598 29.103 29.700 0.002 0.000 0.985 91 E HN 0.315 nan 8.360 nan 0.000 0.499 92 L N 1.772 122.997 121.223 0.004 0.000 2.265 92 L HA -0.074 4.266 4.340 -0.001 0.000 0.215 92 L C 2.040 178.938 176.870 0.047 0.000 1.117 92 L CA 0.939 55.797 54.840 0.029 0.000 0.782 92 L CB -0.062 42.017 42.059 0.033 0.000 0.914 92 L HN 0.030 nan 8.230 nan 0.000 0.441 93 V N -0.330 119.581 119.914 -0.004 0.000 2.221 93 V HA -0.317 3.803 4.120 -0.001 0.000 0.242 93 V C 2.641 178.806 176.094 0.118 0.000 1.041 93 V CA 2.216 64.524 62.300 0.014 0.000 0.995 93 V CB -0.930 30.751 31.823 -0.237 0.000 0.635 93 V HN 0.743 nan 8.190 nan 0.000 0.448 94 T N -0.835 113.749 114.554 0.051 0.000 2.795 94 T HA -0.277 4.073 4.350 -0.001 0.000 0.266 94 T C 1.639 176.402 174.700 0.105 0.000 1.056 94 T CA 2.076 64.222 62.100 0.076 0.000 1.141 94 T CB -0.621 68.272 68.868 0.040 0.000 0.840 94 T HN 0.356 nan 8.240 nan 0.000 0.493 95 L N 0.362 121.645 121.223 0.100 0.000 1.971 95 L HA 0.017 4.356 4.340 -0.001 0.000 0.208 95 L C 2.881 179.824 176.870 0.121 0.000 1.083 95 L CA 0.976 55.872 54.840 0.094 0.000 0.753 95 L CB -1.119 40.987 42.059 0.078 0.000 0.893 95 L HN 0.120 nan 8.230 nan 0.000 0.436 96 V N 0.384 120.387 119.914 0.149 0.000 2.495 96 V HA -0.370 3.750 4.120 -0.001 0.000 0.260 96 V C 2.538 178.701 176.094 0.116 0.000 1.097 96 V CA 1.935 64.308 62.300 0.123 0.000 1.105 96 V CB -0.770 31.163 31.823 0.183 0.000 0.678 96 V HN 0.423 nan 8.190 nan 0.000 0.469 97 K N -0.104 120.465 120.400 0.282 0.000 1.979 97 K HA -0.147 4.173 4.320 -0.001 0.000 0.213 97 K C 2.298 178.985 176.600 0.145 0.000 1.036 97 K CA 1.690 58.155 56.287 0.297 0.000 0.954 97 K CB -0.374 32.321 32.500 0.326 0.000 0.743 97 K HN 0.381 nan 8.250 nan 0.000 0.443 98 M N 1.416 121.089 119.600 0.121 0.000 2.255 98 M HA -0.219 4.260 4.480 -0.001 0.000 0.259 98 M C 1.093 177.430 176.300 0.063 0.000 1.071 98 M CA 1.842 57.192 55.300 0.083 0.000 1.074 98 M CB -0.702 31.940 32.600 0.069 0.000 1.384 98 M HN 0.198 nan 8.290 nan 0.000 0.415 99 E N 1.012 121.248 120.200 0.060 0.000 2.031 99 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 99 E C 2.201 178.817 176.600 0.027 0.000 0.994 99 E CA 1.474 57.899 56.400 0.042 0.000 0.800 99 E CB -0.753 28.972 29.700 0.041 0.000 0.752 99 E HN 0.502 nan 8.360 nan 0.000 0.447 100 L N 2.042 123.272 121.223 0.012 0.000 1.951 100 L HA -0.236 4.103 4.340 -0.001 0.000 0.222 100 L C 1.532 178.413 176.870 0.018 0.000 1.078 100 L CA 2.323 57.157 54.840 -0.010 0.000 0.778 100 L CB -0.692 41.341 42.059 -0.043 0.000 0.893 100 L HN 0.030 nan 8.230 nan 0.000 0.436 101 E N -1.111 119.116 120.200 0.045 0.000 2.403 101 E HA 0.017 4.367 4.350 -0.001 0.000 0.187 101 E C 1.376 178.000 176.600 0.039 0.000 1.073 101 E CA 0.307 56.735 56.400 0.047 0.000 0.888 101 E CB -0.238 29.504 29.700 0.070 0.000 1.035 101 E HN 0.470 nan 8.360 nan 0.000 0.471 102 K N 0.448 120.868 120.400 0.035 0.000 2.367 102 K HA 0.051 4.371 4.320 -0.001 0.000 0.195 102 K C 0.551 177.165 176.600 0.024 0.000 1.060 102 K CA -0.029 56.277 56.287 0.031 0.000 1.022 102 K CB 0.473 32.993 32.500 0.034 0.000 0.894 102 K HN 0.133 nan 8.250 nan 0.000 0.540 103 E N 1.133 121.346 120.200 0.022 0.000 2.438 103 E HA -0.072 4.277 4.350 -0.001 0.000 0.261 103 E C 0.561 177.170 176.600 0.015 0.000 1.103 103 E CA 0.919 57.330 56.400 0.019 0.000 0.959 103 E CB 0.826 30.536 29.700 0.016 0.000 0.958 103 E HN 0.096 nan 8.360 nan 0.000 0.447 104 T N -0.198 114.365 114.554 0.015 0.000 3.056 104 T HA 0.060 4.410 4.350 -0.001 0.000 0.243 104 T C 0.193 174.899 174.700 0.011 0.000 0.995 104 T CA 0.250 62.356 62.100 0.011 0.000 1.091 104 T CB -0.220 68.655 68.868 0.011 0.000 0.990 104 T HN 0.543 nan 8.240 nan 0.000 0.464 105 D N 1.839 122.251 120.400 0.019 0.000 2.358 105 D HA 0.126 4.765 4.640 -0.001 0.000 0.258 105 D C 1.148 177.467 176.300 0.031 0.000 1.223 105 D CA 0.059 54.077 54.000 0.030 0.000 0.886 105 D CB 1.181 42.004 40.800 0.039 0.000 1.120 105 D HN 0.233 nan 8.370 nan 0.000 0.482 106 Q N 2.427 122.244 119.800 0.029 0.000 2.077 106 Q HA -0.189 4.151 4.340 -0.001 0.000 0.206 106 Q C 1.694 177.728 176.000 0.058 0.000 0.989 106 Q CA 1.383 57.198 55.803 0.021 0.000 0.853 106 Q CB -0.034 28.701 28.738 -0.004 0.000 0.907 106 Q HN 0.592 nan 8.270 nan 0.000 0.418 107 I N 0.218 120.850 120.570 0.103 0.000 2.286 107 I HA -0.239 3.931 4.170 -0.001 0.000 0.248 107 I C 2.178 178.360 176.117 0.108 0.000 1.115 107 I CA 1.344 62.724 61.300 0.133 0.000 1.392 107 I CB -0.388 37.724 38.000 0.186 0.000 1.065 107 I HN 0.066 nan 8.210 nan 0.000 0.418 108 R N -0.223 120.325 120.500 0.080 0.000 2.117 108 R HA -0.229 4.111 4.340 -0.001 0.000 0.243 108 R C 2.253 178.580 176.300 0.045 0.000 1.143 108 R CA 1.635 57.774 56.100 0.065 0.000 0.968 108 R CB -0.149 30.178 30.300 0.045 0.000 0.863 108 R HN 0.493 nan 8.270 nan 0.000 0.444 109 Q N -0.036 119.777 119.800 0.021 0.000 1.965 109 Q HA -0.134 4.206 4.340 -0.001 0.000 0.200 109 Q C 2.231 178.203 176.000 -0.046 0.000 0.981 109 Q CA 1.521 57.312 55.803 -0.020 0.000 0.834 109 Q CB -0.177 28.543 28.738 -0.030 0.000 0.900 109 Q HN 0.310 nan 8.270 nan 0.000 0.426 110 L N 0.703 121.911 121.223 -0.024 0.000 2.064 110 L HA -0.310 4.029 4.340 -0.001 0.000 0.216 110 L C 2.322 179.183 176.870 -0.015 0.000 1.077 110 L CA 1.532 56.349 54.840 -0.038 0.000 0.766 110 L CB -0.524 41.546 42.059 0.017 0.000 0.890 110 L HN 0.312 nan 8.230 nan 0.000 0.435 111 E N -0.245 119.988 120.200 0.055 0.000 2.085 111 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 111 E C 2.022 178.672 176.600 0.084 0.000 0.994 111 E CA 1.211 57.678 56.400 0.111 0.000 0.801 111 E CB -0.082 29.712 29.700 0.157 0.000 0.743 111 E HN 0.251 nan 8.360 nan 0.000 0.453 112 L N 0.393 121.629 121.223 0.022 0.000 2.072 112 L HA -0.041 4.298 4.340 -0.001 0.000 0.205 112 L C 1.925 178.731 176.870 -0.108 0.000 1.079 112 L CA 1.320 56.155 54.840 -0.009 0.000 0.752 112 L CB -0.369 41.663 42.059 -0.043 0.000 0.906 112 L HN 0.166 nan 8.230 nan 0.000 0.436 113 I N 0.073 120.492 120.570 -0.251 0.000 2.118 113 I HA -0.372 3.797 4.170 -0.001 0.000 0.241 113 I C 2.264 178.183 176.117 -0.330 0.000 1.070 113 I CA 2.054 63.010 61.300 -0.572 0.000 1.327 113 I CB -0.331 37.231 38.000 -0.729 0.000 1.034 113 I HN 0.389 nan 8.210 nan 0.000 0.405 114 D N 0.365 120.682 120.400 -0.138 0.000 2.123 114 D HA -0.228 4.411 4.640 -0.001 0.000 0.196 114 D C 1.811 178.120 176.300 0.015 0.000 0.992 114 D CA 1.500 55.485 54.000 -0.026 0.000 0.833 114 D CB -0.083 40.751 40.800 0.056 0.000 0.954 114 D HN 0.259 nan 8.370 nan 0.000 0.455 115 D N -0.400 120.072 120.400 0.120 0.000 2.077 115 D HA -0.089 4.551 4.640 -0.001 0.000 0.196 115 D C 2.390 178.736 176.300 0.077 0.000 0.986 115 D CA 0.445 54.595 54.000 0.249 0.000 0.829 115 D CB -0.432 40.547 40.800 0.298 0.000 0.983 115 D HN 0.244 nan 8.370 nan 0.000 0.453 116 L N 0.715 121.962 121.223 0.039 0.000 2.051 116 L HA -0.283 4.056 4.340 -0.001 0.000 0.214 116 L C 2.631 179.615 176.870 0.190 0.000 1.076 116 L CA 1.402 56.301 54.840 0.099 0.000 0.758 116 L CB -0.356 41.776 42.059 0.123 0.000 0.890 116 L HN 0.151 nan 8.230 nan 0.000 0.433 117 Q N -0.566 119.354 119.800 0.200 0.000 1.967 117 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 117 Q C 2.108 178.065 176.000 -0.071 0.000 0.985 117 Q CA 1.266 57.175 55.803 0.176 0.000 0.839 117 Q CB -0.004 28.844 28.738 0.184 0.000 0.906 117 Q HN 0.336 nan 8.270 nan 0.000 0.423 118 R N 0.020 120.331 120.500 -0.316 0.000 2.397 118 R HA -0.064 4.275 4.340 -0.001 0.000 0.213 118 R C 1.334 177.334 176.300 -0.499 0.000 1.102 118 R CA 0.817 56.508 56.100 -0.682 0.000 1.040 118 R CB -0.214 29.031 30.300 -1.758 0.000 0.844 118 R HN 0.459 nan 8.270 nan 0.000 0.478 119 M N -1.262 118.227 119.600 -0.185 0.000 2.333 119 M HA 0.198 4.677 4.480 -0.001 0.000 0.257 119 M C 0.714 177.010 176.300 -0.006 0.000 1.078 119 M CA 0.516 55.802 55.300 -0.023 0.000 1.005 119 M CB 0.841 33.479 32.600 0.063 0.000 1.444 119 M HN 0.306 nan 8.290 nan 0.000 0.496 120 G N 1.395 110.188 108.800 -0.012 0.000 2.176 120 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.253 120 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.253 120 G C 0.622 175.540 174.900 0.031 0.000 0.979 120 G CA 0.068 45.164 45.100 -0.007 0.000 0.641 120 G HN 0.476 nan 8.290 nan 0.000 0.530 121 L N 1.435 122.736 121.223 0.131 0.000 2.591 121 L HA 0.120 4.460 4.340 -0.001 0.000 0.228 121 L C 2.637 179.625 176.870 0.196 0.000 1.133 121 L CA 0.892 55.892 54.840 0.266 0.000 0.880 121 L CB -0.258 42.111 42.059 0.516 0.000 1.033 121 L HN 0.304 nan 8.230 nan 0.000 0.450 122 S N -0.212 115.538 115.700 0.082 0.000 2.423 122 S HA -0.246 4.224 4.470 -0.001 0.000 0.238 122 S C 1.350 175.791 174.600 -0.265 0.000 1.028 122 S CA 1.595 59.748 58.200 -0.078 0.000 1.000 122 S CB -0.403 62.789 63.200 -0.012 0.000 0.797 122 S HN 0.527 nan 8.310 nan 0.000 0.487 123 D N 1.526 121.746 120.400 -0.300 0.000 2.117 123 D HA -0.116 4.524 4.640 -0.001 0.000 0.197 123 D C 1.730 177.732 176.300 -0.495 0.000 0.987 123 D CA 1.625 55.366 54.000 -0.432 0.000 0.829 123 D CB -0.256 40.215 40.800 -0.548 0.000 0.961 123 D HN 0.638 nan 8.370 nan 0.000 0.460 124 H N -0.345 118.491 119.070 -0.389 0.000 2.384 124 H HA 0.060 4.615 4.556 -0.001 0.000 0.300 124 H C 0.756 175.717 175.328 -0.613 0.000 1.057 124 H CA 0.425 56.128 56.048 -0.575 0.000 1.370 124 H CB -0.284 28.967 29.762 -0.851 0.000 1.417 124 H HN 0.067 nan 8.280 nan 0.000 0.527 125 F N 1.911 121.803 119.950 -0.098 0.000 2.913 125 F HA 0.122 4.649 4.527 -0.001 0.000 0.306 125 F C 1.561 177.114 175.800 -0.412 0.000 1.205 125 F CA -0.399 57.510 58.000 -0.152 0.000 1.359 125 F CB 0.031 39.050 39.000 0.032 0.000 1.260 125 F HN 0.058 nan 8.300 nan 0.000 0.545 126 Q N 1.699 121.378 119.800 -0.201 0.000 1.917 126 Q HA -0.191 4.148 4.340 -0.001 0.000 0.205 126 Q C 1.840 177.851 176.000 0.018 0.000 0.988 126 Q CA 2.045 57.744 55.803 -0.174 0.000 0.851 126 Q CB -0.646 28.022 28.738 -0.117 0.000 0.916 126 Q HN 0.477 nan 8.270 nan 0.000 0.424 127 N N 0.639 119.370 118.700 0.052 0.000 2.334 127 N HA -0.172 4.567 4.740 -0.001 0.000 0.187 127 N C 1.372 176.978 175.510 0.161 0.000 1.016 127 N CA 1.303 54.412 53.050 0.099 0.000 0.879 127 N CB -0.226 38.304 38.487 0.072 0.000 0.965 127 N HN 0.240 nan 8.380 nan 0.000 0.438 128 E N 0.532 120.864 120.200 0.221 0.000 2.015 128 E HA -0.009 4.341 4.350 -0.001 0.000 0.191 128 E C 1.566 178.370 176.600 0.341 0.000 0.991 128 E CA 0.869 57.438 56.400 0.281 0.000 0.802 128 E CB -0.691 29.234 29.700 0.376 0.000 0.759 128 E HN 0.375 nan 8.360 nan 0.000 0.447 129 F N 1.230 121.228 119.950 0.079 0.000 2.141 129 F HA -0.362 4.165 4.527 -0.001 0.000 0.300 129 F C 2.330 178.108 175.800 -0.038 0.000 1.079 129 F CA 1.297 59.295 58.000 -0.003 0.000 1.264 129 F CB -0.183 38.831 39.000 0.024 0.000 1.011 129 F HN 0.036 nan 8.300 nan 0.000 0.487 130 K N 0.627 121.175 120.400 0.247 0.000 1.965 130 K HA -0.226 4.093 4.320 -0.001 0.000 0.214 130 K C 2.080 178.778 176.600 0.163 0.000 1.042 130 K CA 1.603 58.007 56.287 0.195 0.000 0.950 130 K CB -0.338 32.266 32.500 0.173 0.000 0.733 130 K HN -0.125 nan 8.250 nan 0.000 0.441 131 E N 0.769 121.051 120.200 0.137 0.000 2.086 131 E HA -0.206 4.143 4.350 -0.001 0.000 0.200 131 E C 1.850 178.494 176.600 0.073 0.000 1.012 131 E CA 1.507 57.971 56.400 0.107 0.000 0.812 131 E CB -0.413 29.343 29.700 0.093 0.000 0.743 131 E HN 0.364 nan 8.360 nan 0.000 0.453 132 I N 0.415 121.020 120.570 0.058 0.000 2.091 132 I HA -0.292 3.877 4.170 -0.001 0.000 0.239 132 I C 2.476 178.572 176.117 -0.035 0.000 1.061 132 I CA 1.284 62.588 61.300 0.006 0.000 1.317 132 I CB -1.020 36.969 38.000 -0.019 0.000 1.031 132 I HN 0.162 nan 8.210 nan 0.000 0.401 133 L N -1.081 120.105 121.223 -0.061 0.000 2.093 133 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 133 L C 2.623 179.357 176.870 -0.228 0.000 1.085 133 L CA 1.161 55.897 54.840 -0.172 0.000 0.755 133 L CB -0.625 41.326 42.059 -0.180 0.000 0.904 133 L HN 0.209 nan 8.230 nan 0.000 0.435 134 S N -0.582 115.132 115.700 0.024 0.000 2.359 134 S HA -0.219 4.251 4.470 -0.001 0.000 0.222 134 S C 2.214 176.887 174.600 0.121 0.000 1.038 134 S CA 1.918 60.213 58.200 0.158 0.000 1.051 134 S CB -0.092 63.248 63.200 0.232 0.000 0.944 134 S HN 0.384 nan 8.310 nan 0.000 0.433 135 S N 1.384 117.131 115.700 0.078 0.000 2.380 135 S HA -0.064 4.406 4.470 -0.001 0.000 0.217 135 S C 1.809 176.428 174.600 0.032 0.000 1.036 135 S CA 1.526 59.762 58.200 0.061 0.000 1.050 135 S CB -0.756 62.455 63.200 0.018 0.000 1.016 135 S HN 0.496 nan 8.310 nan 0.000 0.419 136 I N 0.526 121.073 120.570 -0.039 0.000 2.178 136 I HA -0.385 3.785 4.170 -0.001 0.000 0.243 136 I C 2.250 178.441 176.117 0.123 0.000 1.019 136 I CA 2.434 63.687 61.300 -0.078 0.000 1.294 136 I CB -0.668 37.309 38.000 -0.039 0.000 0.996 136 I HN 0.381 nan 8.210 nan 0.000 0.415 137 Y N 2.397 122.689 120.300 -0.013 0.000 2.081 137 Y HA -0.244 4.306 4.550 -0.001 0.000 0.280 137 Y C 1.867 177.983 175.900 0.360 0.000 1.163 137 Y CA 2.009 60.193 58.100 0.140 0.000 1.135 137 Y CB -0.235 38.003 38.460 -0.371 0.000 0.970 137 Y HN 0.233 nan 8.280 nan 0.000 0.498 138 L N -1.568 119.831 121.223 0.293 0.000 2.848 138 L HA 0.395 4.735 4.340 -0.001 0.000 0.240 138 L C -0.598 176.401 176.870 0.214 0.000 1.232 138 L CA 0.238 55.304 54.840 0.377 0.000 1.031 138 L CB -0.249 42.075 42.059 0.442 0.000 1.338 138 L HN 0.042 nan 8.230 nan 0.000 0.509 139 D N -1.237 119.131 120.400 -0.054 0.000 2.673 139 D HA 0.197 4.836 4.640 -0.001 0.000 0.278 139 D C 0.439 176.524 176.300 -0.358 0.000 1.393 139 D CA 0.195 54.031 54.000 -0.274 0.000 0.805 139 D CB 0.331 41.012 40.800 -0.198 0.000 1.110 139 D HN 0.261 nan 8.370 nan 0.000 0.476 140 H N -0.999 117.804 119.070 -0.445 0.000 3.881 140 H HA 0.083 4.639 4.556 -0.001 0.000 0.266 140 H C -0.389 174.569 175.328 -0.617 0.000 1.153 140 H CA -0.011 55.714 56.048 -0.538 0.000 1.181 140 H CB 0.210 29.654 29.762 -0.530 0.000 1.555 140 H HN 0.035 nan 8.280 nan 0.000 0.800 141 H N -0.178 118.715 119.070 -0.295 0.000 2.604 141 H HA -0.211 4.345 4.556 -0.001 0.000 0.324 141 H C 0.337 175.241 175.328 -0.706 0.000 1.068 141 H CA 0.656 56.351 56.048 -0.587 0.000 1.091 141 H CB -2.212 27.234 29.762 -0.528 0.000 1.611 141 H HN 0.523 nan 8.280 nan 0.000 0.387 142 Y N -0.403 119.635 120.300 -0.437 0.000 2.511 142 Y HA -0.076 4.474 4.550 -0.001 0.000 0.279 142 Y C 1.725 177.433 175.900 -0.320 0.000 1.157 142 Y CA 0.306 58.194 58.100 -0.352 0.000 1.300 142 Y CB 0.242 38.540 38.460 -0.270 0.000 1.052 142 Y HN 0.540 nan 8.280 nan 0.000 0.529 143 Y N -0.577 119.544 120.300 -0.298 0.000 2.706 143 Y HA 0.410 4.959 4.550 -0.001 0.000 0.362 143 Y C -0.197 175.724 175.900 0.035 0.000 1.107 143 Y CA -0.860 57.234 58.100 -0.009 0.000 1.477 143 Y CB -0.404 38.097 38.460 0.069 0.000 1.326 143 Y HN -0.245 nan 8.280 nan 0.000 0.499 144 K N 1.040 121.381 120.400 -0.099 0.000 2.471 144 K HA 0.258 4.577 4.320 -0.001 0.000 0.252 144 K C 0.210 176.777 176.600 -0.056 0.000 0.938 144 K CA -0.545 55.681 56.287 -0.102 0.000 0.796 144 K CB 0.973 33.331 32.500 -0.236 0.000 1.161 144 K HN 0.083 nan 8.250 nan 0.000 0.425 145 N N 3.016 121.683 118.700 -0.055 0.000 2.080 145 N HA 0.022 4.762 4.740 -0.001 0.000 0.189 145 N C -1.612 173.733 175.510 -0.276 0.000 1.036 145 N CA 0.653 53.639 53.050 -0.106 0.000 0.846 145 N CB -0.505 37.927 38.487 -0.091 0.000 1.015 145 N HN 0.504 nan 8.380 nan 0.000 0.423 146 P HA 0.026 nan 4.420 nan 0.000 0.264 146 P C -0.585 176.565 177.300 -0.250 0.000 1.236 146 P CA -0.051 62.810 63.100 -0.399 0.000 0.811 146 P CB -0.954 30.622 31.700 -0.207 0.000 0.840 147 F N 4.037 123.930 119.950 -0.094 0.000 2.563 147 F HA 0.286 4.813 4.527 -0.001 0.000 0.363 147 F C -1.594 174.122 175.800 -0.139 0.000 1.123 147 F CA -2.832 55.089 58.000 -0.132 0.000 1.307 147 F CB -1.332 37.574 39.000 -0.157 0.000 1.115 147 F HN 0.199 nan 8.300 nan 0.000 0.592 148 P HA 0.090 nan 4.420 nan 0.000 0.261 148 P C -0.465 176.794 177.300 -0.068 0.000 1.268 148 P CA -0.019 63.076 63.100 -0.009 0.000 0.833 148 P CB 0.126 31.781 31.700 -0.075 0.000 1.231 149 K N 0.347 120.675 120.400 -0.119 0.000 3.177 149 K HA -0.223 4.096 4.320 -0.001 0.000 0.266 149 K C 0.380 176.862 176.600 -0.197 0.000 0.937 149 K CA 0.172 56.311 56.287 -0.247 0.000 0.702 149 K CB -1.358 30.950 32.500 -0.320 0.000 1.365 149 K HN 0.139 nan 8.250 nan 0.000 0.466 150 E N 1.050 121.146 120.200 -0.174 0.000 2.533 150 E HA -0.099 4.251 4.350 -0.001 0.000 0.203 150 E C -0.247 176.278 176.600 -0.124 0.000 1.101 150 E CA 0.506 56.823 56.400 -0.138 0.000 0.894 150 E CB -0.085 29.528 29.700 -0.145 0.000 0.843 150 E HN 0.318 nan 8.360 nan 0.000 0.552 151 E N 0.490 120.588 120.200 -0.171 0.000 2.230 151 E HA -0.258 4.091 4.350 -0.001 0.000 0.206 151 E C -0.124 176.462 176.600 -0.024 0.000 1.309 151 E CA 0.411 56.730 56.400 -0.134 0.000 0.697 151 E CB -0.542 29.106 29.700 -0.086 0.000 1.146 151 E HN 0.257 nan 8.360 nan 0.000 0.363 152 R N 0.700 121.178 120.500 -0.036 0.000 3.372 152 R HA 0.172 4.512 4.340 -0.001 0.000 0.245 152 R C 0.527 177.064 176.300 0.394 0.000 1.061 152 R CA 0.288 56.460 56.100 0.119 0.000 1.113 152 R CB 0.024 30.373 30.300 0.083 0.000 0.921 152 R HN 0.328 nan 8.270 nan 0.000 0.485 153 D N -0.863 119.749 120.400 0.353 0.000 2.362 153 D HA 0.065 4.704 4.640 -0.001 0.000 0.247 153 D C 0.953 177.231 176.300 -0.036 0.000 1.050 153 D CA -0.686 53.438 54.000 0.206 0.000 0.839 153 D CB 1.946 42.836 40.800 0.149 0.000 1.283 153 D HN 0.248 nan 8.370 nan 0.000 0.477 154 L N 4.835 125.811 121.223 -0.412 0.000 1.997 154 L HA -0.216 4.124 4.340 -0.001 0.000 0.216 154 L C 1.902 178.741 176.870 -0.052 0.000 1.074 154 L CA 1.923 56.455 54.840 -0.513 0.000 0.763 154 L CB -1.151 40.755 42.059 -0.256 0.000 0.890 154 L HN 0.691 nan 8.230 nan 0.000 0.434 155 Y N -0.527 119.751 120.300 -0.037 0.000 2.062 155 Y HA -0.310 4.239 4.550 -0.001 0.000 0.272 155 Y C 3.014 178.970 175.900 0.093 0.000 1.117 155 Y CA 2.481 60.607 58.100 0.044 0.000 1.095 155 Y CB -0.848 37.634 38.460 0.037 0.000 0.985 155 Y HN 0.325 nan 8.280 nan 0.000 0.479 156 S N -1.238 114.645 115.700 0.306 0.000 2.419 156 S HA -0.203 4.267 4.470 -0.001 0.000 0.235 156 S C 1.894 176.571 174.600 0.129 0.000 1.019 156 S CA 2.021 60.338 58.200 0.195 0.000 0.982 156 S CB -0.786 62.580 63.200 0.277 0.000 0.789 156 S HN 0.656 nan 8.310 nan 0.000 0.490 157 T N 1.142 115.784 114.554 0.146 0.000 2.852 157 T HA 0.048 4.398 4.350 -0.001 0.000 0.256 157 T C 2.086 176.886 174.700 0.168 0.000 1.038 157 T CA 1.365 63.555 62.100 0.152 0.000 1.141 157 T CB -0.491 68.510 68.868 0.222 0.000 0.869 157 T HN 0.499 nan 8.240 nan 0.000 0.439 158 S N 1.513 117.360 115.700 0.245 0.000 2.387 158 S HA -0.075 4.394 4.470 -0.001 0.000 0.230 158 S C 1.868 176.616 174.600 0.247 0.000 1.035 158 S CA 0.838 59.277 58.200 0.398 0.000 1.014 158 S CB -0.409 62.925 63.200 0.223 0.000 0.836 158 S HN 0.211 nan 8.310 nan 0.000 0.466 159 L N 1.527 122.769 121.223 0.031 0.000 1.993 159 L HA 0.119 4.459 4.340 -0.001 0.000 0.206 159 L C 2.493 179.390 176.870 0.046 0.000 1.074 159 L CA 1.724 56.548 54.840 -0.026 0.000 0.746 159 L CB -0.989 40.952 42.059 -0.197 0.000 0.896 159 L HN 0.240 nan 8.230 nan 0.000 0.435 160 A N -1.052 121.794 122.820 0.044 0.000 1.986 160 A HA -0.290 4.030 4.320 -0.001 0.000 0.220 160 A C 2.210 179.749 177.584 -0.075 0.000 1.171 160 A CA 2.043 54.069 52.037 -0.020 0.000 0.640 160 A CB -1.127 17.882 19.000 0.015 0.000 0.811 160 A HN 0.546 nan 8.150 nan 0.000 0.451 161 F N 0.321 120.205 119.950 -0.111 0.000 2.039 161 F HA -0.089 4.438 4.527 -0.001 0.000 0.294 161 F C 2.282 178.113 175.800 0.051 0.000 1.130 161 F CA 1.942 59.924 58.000 -0.029 0.000 1.189 161 F CB -0.614 38.504 39.000 0.197 0.000 0.983 161 F HN 0.234 nan 8.300 nan 0.000 0.471 162 R N 0.229 120.843 120.500 0.191 0.000 2.171 162 R HA -0.261 4.078 4.340 -0.001 0.000 0.232 162 R C 2.169 178.464 176.300 -0.007 0.000 1.116 162 R CA 2.741 58.865 56.100 0.040 0.000 0.901 162 R CB -1.066 29.297 30.300 0.104 0.000 0.850 162 R HN 0.372 nan 8.270 nan 0.000 0.431 163 L N 0.661 121.914 121.223 0.051 0.000 2.013 163 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 163 L C 2.435 179.438 176.870 0.220 0.000 1.073 163 L CA 1.691 56.616 54.840 0.141 0.000 0.753 163 L CB -0.693 41.393 42.059 0.046 0.000 0.890 163 L HN 0.333 nan 8.230 nan 0.000 0.432 164 L N -1.415 119.838 121.223 0.052 0.000 2.013 164 L HA -0.295 4.044 4.340 -0.001 0.000 0.212 164 L C 2.779 179.806 176.870 0.262 0.000 1.073 164 L CA 1.393 56.298 54.840 0.108 0.000 0.753 164 L CB -0.396 41.581 42.059 -0.137 0.000 0.890 164 L HN 0.201 nan 8.230 nan 0.000 0.432 165 R N 0.026 120.503 120.500 -0.038 0.000 2.081 165 R HA -0.206 4.133 4.340 -0.001 0.000 0.235 165 R C 2.261 178.534 176.300 -0.046 0.000 1.131 165 R CA 1.537 57.554 56.100 -0.137 0.000 0.960 165 R CB -0.185 29.827 30.300 -0.480 0.000 0.856 165 R HN 0.352 nan 8.270 nan 0.000 0.436 166 E N -0.791 119.401 120.200 -0.013 0.000 2.265 166 E HA -0.209 4.141 4.350 -0.001 0.000 0.196 166 E C 0.442 176.976 176.600 -0.110 0.000 0.996 166 E CA 1.200 57.589 56.400 -0.019 0.000 0.832 166 E CB 0.089 29.798 29.700 0.015 0.000 0.756 166 E HN 0.530 nan 8.360 nan 0.000 0.491 167 H N -1.393 117.728 119.070 0.084 0.000 2.505 167 H HA 0.291 4.847 4.556 -0.001 0.000 0.289 167 H C 0.553 175.781 175.328 -0.167 0.000 1.052 167 H CA 0.575 56.657 56.048 0.057 0.000 1.156 167 H CB 1.205 31.103 29.762 0.228 0.000 1.507 167 H HN 0.297 nan 8.280 nan 0.000 0.548 168 G N 0.246 108.989 108.800 -0.094 0.000 2.171 168 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.238 168 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.238 168 G C -0.289 174.398 174.900 -0.355 0.000 1.039 168 G CA -0.386 44.588 45.100 -0.210 0.000 0.759 168 G HN 0.260 nan 8.290 nan 0.000 0.501 169 F N 0.491 120.359 119.950 -0.136 0.000 2.408 169 F HA 0.453 4.980 4.527 -0.001 0.000 0.344 169 F C 0.934 176.697 175.800 -0.062 0.000 1.112 169 F CA -0.648 57.196 58.000 -0.260 0.000 1.096 169 F CB 1.408 40.116 39.000 -0.486 0.000 1.129 169 F HN 0.136 nan 8.300 nan 0.000 0.486 170 Q N 3.596 123.531 119.800 0.225 0.000 2.281 170 Q HA 0.257 4.596 4.340 -0.001 0.000 0.267 170 Q C -1.448 174.822 176.000 0.451 0.000 1.053 170 Q CA 0.113 56.086 55.803 0.285 0.000 0.905 170 Q CB 0.826 29.735 28.738 0.286 0.000 1.195 170 Q HN 0.584 nan 8.270 nan 0.000 0.398 171 V N 4.160 124.283 119.914 0.349 0.000 2.454 171 V HA 0.287 4.407 4.120 -0.001 0.000 0.267 171 V C -0.043 176.343 176.094 0.487 0.000 0.993 171 V CA -0.603 61.961 62.300 0.439 0.000 0.836 171 V CB 0.809 32.859 31.823 0.379 0.000 1.055 171 V HN 0.925 nan 8.190 nan 0.000 0.452 172 A N 3.417 126.439 122.820 0.337 0.000 2.622 172 A HA -0.009 4.310 4.320 -0.001 0.000 0.235 172 A C 1.517 179.284 177.584 0.304 0.000 1.013 172 A CA 1.038 53.228 52.037 0.255 0.000 0.765 172 A CB 0.184 19.261 19.000 0.128 0.000 0.921 172 A HN 1.048 nan 8.150 nan 0.000 0.506 173 Q N 1.914 121.881 119.800 0.277 0.000 2.226 173 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 173 Q C 1.004 177.128 176.000 0.205 0.000 0.975 173 Q CA 1.442 57.403 55.803 0.263 0.000 0.866 173 Q CB -0.227 28.638 28.738 0.211 0.000 0.915 173 Q HN 0.823 nan 8.270 nan 0.000 0.440 174 E N 1.348 121.638 120.200 0.150 0.000 2.233 174 E HA -0.219 4.130 4.350 -0.001 0.000 0.199 174 E C 2.112 178.830 176.600 0.196 0.000 1.004 174 E CA 1.299 57.799 56.400 0.166 0.000 0.819 174 E CB -0.839 28.850 29.700 -0.018 0.000 0.738 174 E HN 0.350 nan 8.360 nan 0.000 0.478 175 V N 0.971 120.926 119.914 0.067 0.000 2.250 175 V HA -0.290 3.830 4.120 -0.001 0.000 0.250 175 V C 1.772 177.677 176.094 -0.314 0.000 1.060 175 V CA 1.883 64.113 62.300 -0.117 0.000 1.030 175 V CB -0.584 31.107 31.823 -0.219 0.000 0.643 175 V HN 0.175 nan 8.190 nan 0.000 0.445 176 F N 0.641 120.540 119.950 -0.085 0.000 2.788 176 F HA -0.012 4.515 4.527 -0.001 0.000 0.300 176 F C 1.883 177.530 175.800 -0.255 0.000 1.229 176 F CA 0.940 58.938 58.000 -0.004 0.000 1.446 176 F CB -0.546 38.568 39.000 0.190 0.000 1.118 176 F HN 0.288 nan 8.300 nan 0.000 0.579 177 D N -0.387 119.887 120.400 -0.210 0.000 2.123 177 D HA -0.145 4.495 4.640 -0.001 0.000 0.200 177 D C 2.367 178.339 176.300 -0.547 0.000 0.976 177 D CA 1.570 55.386 54.000 -0.308 0.000 0.831 177 D CB -0.431 40.252 40.800 -0.195 0.000 0.974 177 D HN 0.240 nan 8.370 nan 0.000 0.469 178 S N -0.191 115.063 115.700 -0.742 0.000 2.571 178 S HA -0.128 4.342 4.470 -0.001 0.000 0.245 178 S C 0.911 175.144 174.600 -0.611 0.000 0.976 178 S CA 0.392 58.170 58.200 -0.703 0.000 0.954 178 S CB -0.695 62.080 63.200 -0.709 0.000 0.756 178 S HN 0.072 nan 8.310 nan 0.000 0.535 179 F N 1.876 121.651 119.950 -0.291 0.000 2.654 179 F HA 0.421 4.947 4.527 -0.001 0.000 0.303 179 F C 0.751 176.212 175.800 -0.565 0.000 1.099 179 F CA -1.085 56.720 58.000 -0.325 0.000 1.270 179 F CB 0.133 39.000 39.000 -0.222 0.000 1.024 179 F HN 0.251 nan 8.300 nan 0.000 0.548 180 K N 0.874 121.025 120.400 -0.415 0.000 2.316 180 K HA 0.367 4.687 4.320 -0.001 0.000 0.251 180 K C -0.022 176.443 176.600 -0.225 0.000 0.934 180 K CA -0.645 55.394 56.287 -0.412 0.000 0.802 180 K CB 2.063 34.281 32.500 -0.470 0.000 1.171 180 K HN 0.218 nan 8.250 nan 0.000 0.426 181 N N 1.601 120.211 118.700 -0.150 0.000 2.216 181 N HA -0.133 4.607 4.740 -0.001 0.000 0.258 181 N C 0.227 175.679 175.510 -0.096 0.000 1.262 181 N CA -0.361 52.633 53.050 -0.093 0.000 0.907 181 N CB 0.160 38.620 38.487 -0.046 0.000 0.977 181 N HN 0.560 nan 8.380 nan 0.000 0.436 182 E N 0.206 120.368 120.200 -0.064 0.000 2.057 182 E HA -0.076 4.274 4.350 -0.001 0.000 0.190 182 E C 1.728 178.300 176.600 -0.046 0.000 0.969 182 E CA 0.781 57.147 56.400 -0.056 0.000 0.812 182 E CB -0.818 28.858 29.700 -0.040 0.000 0.777 182 E HN 0.603 nan 8.360 nan 0.000 0.455 183 E N 0.223 120.404 120.200 -0.032 0.000 2.393 183 E HA -0.156 4.194 4.350 -0.001 0.000 0.201 183 E C 0.731 177.315 176.600 -0.027 0.000 1.025 183 E CA 0.892 57.279 56.400 -0.021 0.000 0.856 183 E CB -0.182 29.512 29.700 -0.010 0.000 0.771 183 E HN 0.480 nan 8.360 nan 0.000 0.526 184 G N 0.524 109.295 108.800 -0.049 0.000 2.176 184 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.232 184 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.232 184 G C -0.008 174.852 174.900 -0.067 0.000 0.986 184 G CA 0.212 45.276 45.100 -0.061 0.000 0.643 184 G HN 0.265 nan 8.290 nan 0.000 0.522 185 E N -0.424 119.747 120.200 -0.049 0.000 2.392 185 E HA 0.585 4.935 4.350 -0.001 0.000 0.259 185 E C 0.302 176.845 176.600 -0.095 0.000 1.108 185 E CA -0.585 55.798 56.400 -0.028 0.000 0.916 185 E CB 0.243 29.942 29.700 -0.000 0.000 0.989 185 E HN 0.154 nan 8.360 nan 0.000 0.432 186 F N 1.781 121.562 119.950 -0.282 0.000 2.572 186 F HA 0.035 4.562 4.527 -0.001 0.000 0.370 186 F C 0.972 176.574 175.800 -0.330 0.000 1.103 186 F CA 0.294 58.016 58.000 -0.464 0.000 1.286 186 F CB 0.479 38.780 39.000 -1.164 0.000 1.105 186 F HN 0.193 nan 8.300 nan 0.000 0.583 187 K N 2.862 123.179 120.400 -0.138 0.000 2.550 187 K HA -0.135 4.185 4.320 -0.001 0.000 0.280 187 K C 1.021 177.738 176.600 0.195 0.000 0.987 187 K CA 0.548 56.852 56.287 0.029 0.000 1.048 187 K CB 0.456 32.992 32.500 0.062 0.000 0.879 187 K HN 0.637 nan 8.250 nan 0.000 0.491 188 E N 1.022 121.334 120.200 0.186 0.000 2.077 188 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 188 E C 1.667 178.433 176.600 0.277 0.000 0.989 188 E CA 1.565 58.120 56.400 0.259 0.000 0.800 188 E CB -0.250 29.544 29.700 0.156 0.000 0.746 188 E HN 0.632 nan 8.360 nan 0.000 0.452 189 S N 1.275 117.087 115.700 0.188 0.000 2.359 189 S HA -0.186 4.283 4.470 -0.001 0.000 0.224 189 S C 1.962 176.659 174.600 0.161 0.000 1.035 189 S CA 0.950 59.232 58.200 0.136 0.000 1.018 189 S CB -0.451 62.806 63.200 0.095 0.000 0.876 189 S HN 0.140 nan 8.310 nan 0.000 0.448 190 L N 2.734 124.122 121.223 0.276 0.000 2.113 190 L HA -0.216 4.124 4.340 -0.001 0.000 0.221 190 L C 2.965 179.923 176.870 0.146 0.000 1.084 190 L CA 1.922 56.961 54.840 0.331 0.000 0.787 190 L CB -2.222 40.254 42.059 0.695 0.000 0.893 190 L HN 0.720 nan 8.230 nan 0.000 0.440 191 S N -0.486 115.285 115.700 0.119 0.000 2.429 191 S HA -0.230 4.240 4.470 -0.001 0.000 0.251 191 S C 0.719 174.963 174.600 -0.594 0.000 1.104 191 S CA 1.863 59.652 58.200 -0.685 0.000 1.130 191 S CB -0.618 62.422 63.200 -0.266 0.000 1.000 191 S HN 0.558 nan 8.310 nan 0.000 0.449 192 D N 2.040 122.297 120.400 -0.238 0.000 2.468 192 D HA 0.411 5.050 4.640 -0.001 0.000 0.218 192 D C -0.255 175.978 176.300 -0.112 0.000 1.155 192 D CA 0.145 54.041 54.000 -0.173 0.000 0.924 192 D CB 0.892 41.635 40.800 -0.095 0.000 1.029 192 D HN 0.443 nan 8.370 nan 0.000 0.515 193 D N 0.939 121.259 120.400 -0.133 0.000 4.507 193 D HA -0.139 4.500 4.640 -0.001 0.000 0.140 193 D C 1.260 177.522 176.300 -0.062 0.000 0.848 193 D CA -0.052 53.908 54.000 -0.067 0.000 0.709 193 D CB -0.692 40.100 40.800 -0.012 0.000 1.586 193 D HN 0.172 nan 8.370 nan 0.000 0.575 194 T N 0.079 114.570 114.554 -0.105 0.000 2.693 194 T HA -0.383 3.966 4.350 -0.001 0.000 0.263 194 T C 1.897 176.588 174.700 -0.016 0.000 1.046 194 T CA 3.108 65.156 62.100 -0.087 0.000 1.160 194 T CB -0.167 68.644 68.868 -0.095 0.000 0.853 194 T HN 0.596 nan 8.240 nan 0.000 0.462 195 R N 0.423 120.926 120.500 0.006 0.000 2.147 195 R HA 0.043 4.383 4.340 -0.001 0.000 0.225 195 R C 2.770 179.214 176.300 0.241 0.000 1.120 195 R CA 2.028 58.182 56.100 0.090 0.000 0.891 195 R CB -1.589 28.713 30.300 0.002 0.000 0.822 195 R HN 0.384 nan 8.270 nan 0.000 0.433 196 G N 0.951 109.927 108.800 0.292 0.000 2.475 196 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 196 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 196 G C 1.391 176.393 174.900 0.171 0.000 1.125 196 G CA 0.880 46.190 45.100 0.350 0.000 0.755 196 G HN 0.251 nan 8.290 nan 0.000 0.565 197 L N 0.014 121.304 121.223 0.111 0.000 2.017 197 L HA 0.049 4.389 4.340 -0.001 0.000 0.208 197 L C 2.595 179.521 176.870 0.093 0.000 1.073 197 L CA 1.491 56.382 54.840 0.085 0.000 0.745 197 L CB -0.552 41.511 42.059 0.006 0.000 0.894 197 L HN 0.266 nan 8.230 nan 0.000 0.432 198 L N -1.256 120.015 121.223 0.080 0.000 2.131 198 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 198 L C 2.307 179.276 176.870 0.164 0.000 1.092 198 L CA 1.565 56.455 54.840 0.085 0.000 0.759 198 L CB -0.751 41.344 42.059 0.061 0.000 0.903 198 L HN 0.276 nan 8.230 nan 0.000 0.435 199 Q N -0.493 119.391 119.800 0.140 0.000 2.167 199 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 199 Q C 2.129 178.190 176.000 0.102 0.000 0.970 199 Q CA 1.930 57.777 55.803 0.074 0.000 0.855 199 Q CB -0.458 28.210 28.738 -0.117 0.000 0.911 199 Q HN 0.625 nan 8.270 nan 0.000 0.438 200 L N -0.697 120.592 121.223 0.109 0.000 2.044 200 L HA -0.109 4.231 4.340 -0.001 0.000 0.205 200 L C 2.198 179.078 176.870 0.017 0.000 1.075 200 L CA 1.529 56.395 54.840 0.043 0.000 0.747 200 L CB -0.640 41.428 42.059 0.015 0.000 0.903 200 L HN 0.333 nan 8.230 nan 0.000 0.435 201 Y N 0.480 120.755 120.300 -0.041 0.000 2.114 201 Y HA -0.343 4.207 4.550 -0.001 0.000 0.282 201 Y C 2.427 178.376 175.900 0.081 0.000 1.165 201 Y CA 2.188 60.272 58.100 -0.027 0.000 1.148 201 Y CB -0.236 38.227 38.460 0.005 0.000 0.972 201 Y HN 0.363 nan 8.280 nan 0.000 0.504 202 E N 0.324 120.673 120.200 0.248 0.000 2.153 202 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 202 E C 2.070 178.712 176.600 0.070 0.000 0.988 202 E CA 1.303 57.776 56.400 0.121 0.000 0.811 202 E CB -0.339 29.475 29.700 0.189 0.000 0.746 202 E HN 0.583 nan 8.360 nan 0.000 0.466 203 A N -0.067 122.795 122.820 0.070 0.000 2.178 203 A HA -0.010 4.310 4.320 -0.001 0.000 0.211 203 A C 1.916 179.518 177.584 0.029 0.000 1.157 203 A CA 0.824 52.939 52.037 0.130 0.000 0.780 203 A CB -0.250 18.950 19.000 0.333 0.000 0.828 203 A HN 0.277 nan 8.150 nan 0.000 0.476 204 S N -1.473 114.110 115.700 -0.195 0.000 2.727 204 S HA 0.113 4.582 4.470 -0.001 0.000 0.226 204 S C 0.577 174.847 174.600 -0.551 0.000 0.963 204 S CA 0.253 58.225 58.200 -0.380 0.000 0.950 204 S CB -0.758 62.130 63.200 -0.519 0.000 0.779 204 S HN 0.354 nan 8.310 nan 0.000 0.532 205 F N 0.576 120.343 119.950 -0.305 0.000 2.653 205 F HA 0.476 5.003 4.527 -0.001 0.000 0.304 205 F C 1.018 176.620 175.800 -0.331 0.000 1.092 205 F CA -0.283 57.502 58.000 -0.357 0.000 1.279 205 F CB 0.561 39.213 39.000 -0.580 0.000 1.044 205 F HN 0.208 nan 8.300 nan 0.000 0.564 206 L N 2.162 123.290 121.223 -0.159 0.000 2.928 206 L HA 0.270 4.609 4.340 -0.001 0.000 0.246 206 L C 0.406 177.231 176.870 -0.076 0.000 1.239 206 L CA 0.204 54.886 54.840 -0.264 0.000 1.035 206 L CB -0.762 41.100 42.059 -0.328 0.000 1.360 206 L HN 0.182 nan 8.230 nan 0.000 0.529 207 L N -1.627 119.586 121.223 -0.016 0.000 2.569 207 L HA 0.720 5.059 4.340 -0.001 0.000 0.247 207 L C -0.226 176.664 176.870 0.033 0.000 1.135 207 L CA -0.212 54.646 54.840 0.031 0.000 0.812 207 L CB 1.529 43.580 42.059 -0.012 0.000 1.431 207 L HN -0.053 nan 8.230 nan 0.000 0.499 208 T N -1.030 113.540 114.554 0.027 0.000 2.816 208 T HA 0.294 4.643 4.350 -0.001 0.000 0.299 208 T C -1.102 173.596 174.700 -0.005 0.000 1.230 208 T CA -0.542 61.559 62.100 0.002 0.000 1.007 208 T CB 1.588 70.457 68.868 0.002 0.000 1.289 208 T HN 0.687 nan 8.240 nan 0.000 0.508 209 E N 0.529 120.711 120.200 -0.029 0.000 2.384 209 E HA 0.455 4.804 4.350 -0.001 0.000 0.266 209 E C 0.961 177.564 176.600 0.005 0.000 1.012 209 E CA 1.106 57.499 56.400 -0.012 0.000 0.901 209 E CB -0.024 29.662 29.700 -0.025 0.000 0.967 209 E HN 1.092 nan 8.360 nan 0.000 0.435 210 G N 3.939 112.750 108.800 0.019 0.000 2.270 210 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.224 210 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.224 210 G C -0.099 174.823 174.900 0.036 0.000 1.079 210 G CA 0.104 45.219 45.100 0.026 0.000 0.807 210 G HN 0.505 nan 8.290 nan 0.000 0.492 211 E N -0.311 119.910 120.200 0.035 0.000 4.139 211 E HA 0.228 4.578 4.350 -0.001 0.000 0.227 211 E C 1.365 177.983 176.600 0.031 0.000 1.187 211 E CA 0.057 56.486 56.400 0.049 0.000 1.324 211 E CB 0.234 29.970 29.700 0.061 0.000 1.207 211 E HN 0.196 nan 8.360 nan 0.000 0.422 212 T N -0.325 114.249 114.554 0.032 0.000 2.759 212 T HA -0.171 4.178 4.350 -0.001 0.000 0.269 212 T C 1.909 176.625 174.700 0.028 0.000 1.042 212 T CA 1.790 63.905 62.100 0.024 0.000 1.140 212 T CB 0.023 68.908 68.868 0.029 0.000 0.864 212 T HN 0.252 nan 8.240 nan 0.000 0.455 213 T N 2.421 117.008 114.554 0.055 0.000 2.635 213 T HA -0.076 4.274 4.350 -0.001 0.000 0.267 213 T C 1.846 176.563 174.700 0.029 0.000 1.040 213 T CA 0.851 63.004 62.100 0.088 0.000 1.156 213 T CB -0.357 68.586 68.868 0.124 0.000 0.863 213 T HN 0.088 nan 8.240 nan 0.000 0.430 214 L N 0.973 122.175 121.223 -0.035 0.000 2.046 214 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 214 L C 2.448 179.200 176.870 -0.197 0.000 1.077 214 L CA 1.563 56.305 54.840 -0.163 0.000 0.747 214 L CB -1.425 40.585 42.059 -0.081 0.000 0.896 214 L HN 0.352 nan 8.230 nan 0.000 0.432 215 E N -0.226 119.899 120.200 -0.126 0.000 2.026 215 E HA -0.271 4.079 4.350 -0.001 0.000 0.206 215 E C 2.282 178.792 176.600 -0.150 0.000 1.028 215 E CA 2.369 58.686 56.400 -0.138 0.000 0.845 215 E CB -0.017 29.646 29.700 -0.062 0.000 0.772 215 E HN 0.567 nan 8.360 nan 0.000 0.462 216 S N 0.405 116.051 115.700 -0.091 0.000 2.382 216 S HA -0.153 4.317 4.470 -0.001 0.000 0.228 216 S C 2.203 176.684 174.600 -0.197 0.000 1.027 216 S CA 1.073 59.221 58.200 -0.087 0.000 0.991 216 S CB -0.423 62.772 63.200 -0.008 0.000 0.823 216 S HN 0.379 nan 8.310 nan 0.000 0.469 217 A N 2.914 125.551 122.820 -0.305 0.000 1.917 217 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 217 A C 2.317 179.659 177.584 -0.402 0.000 1.182 217 A CA 1.752 53.377 52.037 -0.687 0.000 0.633 217 A CB -0.921 17.735 19.000 -0.573 0.000 0.819 217 A HN 0.554 nan 8.150 nan 0.000 0.448 218 R N -0.119 120.190 120.500 -0.319 0.000 2.113 218 R HA -0.232 4.108 4.340 -0.001 0.000 0.231 218 R C 2.040 178.277 176.300 -0.104 0.000 1.129 218 R CA 2.302 58.245 56.100 -0.262 0.000 0.915 218 R CB -0.523 29.519 30.300 -0.431 0.000 0.837 218 R HN 0.611 nan 8.270 nan 0.000 0.430 219 E N -0.127 120.004 120.200 -0.115 0.000 2.147 219 E HA -0.230 4.120 4.350 -0.001 0.000 0.199 219 E C 1.604 178.163 176.600 -0.067 0.000 1.005 219 E CA 1.845 58.206 56.400 -0.065 0.000 0.810 219 E CB -0.422 29.241 29.700 -0.062 0.000 0.736 219 E HN 0.368 nan 8.360 nan 0.000 0.460 220 F N 1.274 121.055 119.950 -0.282 0.000 2.014 220 F HA -0.146 4.381 4.527 -0.001 0.000 0.295 220 F C 2.083 177.693 175.800 -0.317 0.000 1.145 220 F CA 1.611 59.390 58.000 -0.369 0.000 1.178 220 F CB -0.796 37.925 39.000 -0.466 0.000 0.972 220 F HN -0.014 nan 8.300 nan 0.000 0.476 221 A N -1.128 121.580 122.820 -0.187 0.000 2.272 221 A HA -0.102 4.218 4.320 -0.001 0.000 0.213 221 A C 1.998 179.538 177.584 -0.072 0.000 1.183 221 A CA 1.832 53.784 52.037 -0.142 0.000 0.719 221 A CB -1.299 17.731 19.000 0.050 0.000 0.771 221 A HN 0.592 nan 8.150 nan 0.000 0.484 222 T N -0.606 113.893 114.554 -0.093 0.000 3.045 222 T HA 0.008 4.357 4.350 -0.001 0.000 0.239 222 T C 1.938 176.579 174.700 -0.098 0.000 1.008 222 T CA 1.221 63.295 62.100 -0.045 0.000 1.143 222 T CB -0.075 68.821 68.868 0.047 0.000 0.894 222 T HN 0.659 nan 8.240 nan 0.000 0.451 223 K N 0.911 121.208 120.400 -0.172 0.000 2.063 223 K HA -0.022 4.298 4.320 -0.001 0.000 0.208 223 K C 1.707 178.255 176.600 -0.086 0.000 1.048 223 K CA 1.415 57.606 56.287 -0.159 0.000 0.928 223 K CB -0.766 31.586 32.500 -0.247 0.000 0.713 223 K HN 0.190 nan 8.250 nan 0.000 0.442 224 F N 1.302 121.107 119.950 -0.242 0.000 1.997 224 F HA -0.144 4.382 4.527 -0.001 0.000 0.296 224 F C 2.143 177.826 175.800 -0.195 0.000 1.160 224 F CA 0.537 58.378 58.000 -0.264 0.000 1.176 224 F CB -1.232 37.507 39.000 -0.435 0.000 0.964 224 F HN -0.115 nan 8.300 nan 0.000 0.484 225 L N 0.471 121.711 121.223 0.028 0.000 1.997 225 L HA -0.306 4.034 4.340 -0.001 0.000 0.227 225 L C 2.662 179.491 176.870 -0.068 0.000 1.087 225 L CA 2.549 57.344 54.840 -0.075 0.000 0.797 225 L CB -1.372 40.576 42.059 -0.185 0.000 0.902 225 L HN 0.442 nan 8.230 nan 0.000 0.441 226 E N -1.330 118.831 120.200 -0.065 0.000 2.038 226 E HA -0.304 4.046 4.350 -0.001 0.000 0.195 226 E C 1.976 178.563 176.600 -0.023 0.000 1.000 226 E CA 1.592 57.965 56.400 -0.046 0.000 0.803 226 E CB -0.531 29.147 29.700 -0.036 0.000 0.750 226 E HN 0.447 nan 8.360 nan 0.000 0.448 227 E N 1.354 121.552 120.200 -0.004 0.000 2.085 227 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 227 E C 1.964 178.559 176.600 -0.009 0.000 0.994 227 E CA 1.773 58.176 56.400 0.005 0.000 0.801 227 E CB -0.196 29.524 29.700 0.033 0.000 0.743 227 E HN 0.373 nan 8.360 nan 0.000 0.453 228 K N -0.067 120.322 120.400 -0.018 0.000 2.281 228 K HA -0.120 4.200 4.320 -0.001 0.000 0.203 228 K C 1.759 178.330 176.600 -0.047 0.000 1.046 228 K CA 0.966 57.225 56.287 -0.047 0.000 0.938 228 K CB -0.051 32.403 32.500 -0.076 0.000 0.737 228 K HN 0.009 nan 8.250 nan 0.000 0.458 229 V N 1.693 121.582 119.914 -0.042 0.000 2.323 229 V HA -0.209 3.910 4.120 -0.001 0.000 0.244 229 V C 1.650 177.727 176.094 -0.028 0.000 1.041 229 V CA 2.001 64.277 62.300 -0.039 0.000 1.025 229 V CB -0.507 31.295 31.823 -0.035 0.000 0.656 229 V HN 0.490 nan 8.190 nan 0.000 0.451 230 N N -0.515 118.173 118.700 -0.020 0.000 2.272 230 N HA -0.205 4.534 4.740 -0.001 0.000 0.185 230 N C 1.760 177.259 175.510 -0.018 0.000 1.014 230 N CA 1.360 54.402 53.050 -0.014 0.000 0.870 230 N CB 0.109 38.591 38.487 -0.008 0.000 0.975 230 N HN 0.676 nan 8.380 nan 0.000 0.433 231 E N -0.096 120.089 120.200 -0.025 0.000 2.067 231 E HA 0.055 4.405 4.350 -0.001 0.000 0.194 231 E C 1.223 177.800 176.600 -0.038 0.000 0.950 231 E CA 1.298 57.680 56.400 -0.029 0.000 0.872 231 E CB 0.502 30.183 29.700 -0.031 0.000 0.877 231 E HN 0.185 nan 8.360 nan 0.000 0.470 232 G N -0.820 107.951 108.800 -0.048 0.000 4.444 232 G HA2 0.062 4.022 3.960 -0.001 0.000 0.158 232 G HA3 0.062 4.022 3.960 -0.001 0.000 0.158 232 G C 1.059 175.918 174.900 -0.069 0.000 1.789 232 G CA 0.537 45.603 45.100 -0.057 0.000 0.886 232 G HN 0.894 nan 8.290 nan 0.000 0.284 233 G N -0.866 107.891 108.800 -0.072 0.000 3.444 233 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.222 233 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.222 233 G C 0.940 175.793 174.900 -0.078 0.000 1.358 233 G CA 2.451 47.500 45.100 -0.085 0.000 0.880 233 G HN 2.220 nan 8.290 nan 0.000 0.555 234 V N -2.841 117.026 119.914 -0.078 0.000 3.098 234 V HA 0.686 4.806 4.120 -0.001 0.000 0.310 234 V C 0.775 176.820 176.094 -0.082 0.000 1.515 234 V CA 0.225 62.478 62.300 -0.077 0.000 1.020 234 V CB 0.459 32.233 31.823 -0.081 0.000 1.053 234 V HN 0.613 nan 8.190 nan 0.000 0.476 235 D N 0.512 120.859 120.400 -0.088 0.000 3.577 235 D HA -0.002 4.637 4.640 -0.001 0.000 0.166 235 D C 1.103 177.347 176.300 -0.093 0.000 1.039 235 D CA 3.571 57.512 54.000 -0.099 0.000 0.860 235 D CB -0.918 39.807 40.800 -0.126 0.000 0.456 235 D HN 1.603 nan 8.370 nan 0.000 0.418 236 G N -2.541 106.192 108.800 -0.111 0.000 4.276 236 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.178 236 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.178 236 G C 0.325 175.143 174.900 -0.137 0.000 0.785 236 G CA 0.490 45.530 45.100 -0.099 0.000 0.853 236 G HN 0.400 nan 8.290 nan 0.000 0.428 237 D N 0.430 120.724 120.400 -0.178 0.000 2.340 237 D HA 0.215 4.855 4.640 -0.001 0.000 0.217 237 D C 1.972 178.068 176.300 -0.340 0.000 1.081 237 D CA 0.198 54.035 54.000 -0.273 0.000 0.842 237 D CB 1.000 41.641 40.800 -0.265 0.000 0.934 237 D HN 0.419 nan 8.370 nan 0.000 0.511 238 L N -1.093 119.989 121.223 -0.236 0.000 2.609 238 L HA 0.156 4.496 4.340 -0.001 0.000 0.230 238 L C 1.280 178.053 176.870 -0.163 0.000 1.064 238 L CA 0.149 54.863 54.840 -0.210 0.000 0.873 238 L CB 0.202 42.172 42.059 -0.148 0.000 1.139 238 L HN -0.182 nan 8.230 nan 0.000 0.490 239 L N 0.848 121.989 121.223 -0.137 0.000 2.633 239 L HA 0.014 4.353 4.340 -0.001 0.000 0.235 239 L C 1.696 178.522 176.870 -0.075 0.000 1.163 239 L CA 1.630 56.414 54.840 -0.092 0.000 0.859 239 L CB -1.621 40.394 42.059 -0.074 0.000 0.973 239 L HN 0.612 nan 8.230 nan 0.000 0.451 240 T N -3.719 110.761 114.554 -0.123 0.000 3.138 240 T HA -0.025 4.324 4.350 -0.001 0.000 0.245 240 T C 1.876 176.562 174.700 -0.024 0.000 0.982 240 T CA 0.130 62.191 62.100 -0.063 0.000 1.134 240 T CB -0.034 68.769 68.868 -0.108 0.000 1.032 240 T HN 0.058 nan 8.240 nan 0.000 0.442 241 R N 1.636 121.974 120.500 -0.270 0.000 2.103 241 R HA 0.081 4.420 4.340 -0.001 0.000 0.242 241 R C 2.204 178.584 176.300 0.133 0.000 1.142 241 R CA 1.590 57.599 56.100 -0.151 0.000 0.960 241 R CB -1.132 28.937 30.300 -0.384 0.000 0.858 241 R HN 0.482 nan 8.270 nan 0.000 0.439 242 I N 0.516 121.089 120.570 0.004 0.000 2.179 242 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 242 I C 2.351 178.465 176.117 -0.005 0.000 1.088 242 I CA 1.541 62.833 61.300 -0.013 0.000 1.357 242 I CB -0.365 37.595 38.000 -0.067 0.000 1.051 242 I HN 0.469 nan 8.210 nan 0.000 0.409 243 A N -0.556 122.284 122.820 0.033 0.000 2.014 243 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 243 A C 2.155 179.824 177.584 0.141 0.000 1.163 243 A CA 0.995 53.062 52.037 0.050 0.000 0.652 243 A CB -0.772 18.264 19.000 0.060 0.000 0.808 243 A HN 0.522 nan 8.150 nan 0.000 0.449 244 Y N 1.049 121.406 120.300 0.095 0.000 2.049 244 Y HA -0.209 4.341 4.550 -0.001 0.000 0.277 244 Y C 2.741 178.713 175.900 0.119 0.000 1.143 244 Y CA 1.934 60.142 58.100 0.179 0.000 1.115 244 Y CB -0.753 37.941 38.460 0.390 0.000 0.975 244 Y HN 0.269 nan 8.280 nan 0.000 0.487 245 S N 0.115 115.879 115.700 0.106 0.000 2.400 245 S HA -0.171 4.299 4.470 -0.001 0.000 0.232 245 S C 1.843 176.424 174.600 -0.031 0.000 1.025 245 S CA 1.279 59.469 58.200 -0.016 0.000 0.993 245 S CB -0.680 62.609 63.200 0.149 0.000 0.808 245 S HN 0.390 nan 8.310 nan 0.000 0.478 246 L N 1.396 122.559 121.223 -0.099 0.000 2.353 246 L HA -0.054 4.285 4.340 -0.001 0.000 0.220 246 L C 1.709 178.579 176.870 -0.000 0.000 1.133 246 L CA 1.371 56.134 54.840 -0.127 0.000 0.798 246 L CB -0.361 41.593 42.059 -0.174 0.000 0.922 246 L HN 0.159 nan 8.230 nan 0.000 0.445 247 D N -0.914 119.469 120.400 -0.027 0.000 2.197 247 D HA 0.111 4.751 4.640 -0.001 0.000 0.212 247 D C 0.384 176.648 176.300 -0.060 0.000 0.963 247 D CA 0.822 54.826 54.000 0.006 0.000 0.864 247 D CB 0.492 41.308 40.800 0.028 0.000 1.009 247 D HN 0.195 nan 8.370 nan 0.000 0.479 248 I N 1.575 122.015 120.570 -0.216 0.000 2.529 248 I HA 0.231 4.400 4.170 -0.001 0.000 0.284 248 I C -2.466 173.405 176.117 -0.410 0.000 1.088 248 I CA -2.057 59.074 61.300 -0.282 0.000 1.062 248 I CB 2.659 40.474 38.000 -0.308 0.000 1.218 248 I HN -0.193 nan 8.210 nan 0.000 0.442 249 P HA 0.105 nan 4.420 nan 0.000 0.269 249 P C 1.002 177.993 177.300 -0.515 0.000 1.217 249 P CA -0.137 62.519 63.100 -0.740 0.000 0.783 249 P CB 1.140 31.713 31.700 -1.878 0.000 0.898 250 L N 0.555 121.593 121.223 -0.309 0.000 2.042 250 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 250 L C 2.530 179.294 176.870 -0.178 0.000 1.076 250 L CA 1.937 56.668 54.840 -0.181 0.000 0.749 250 L CB -1.119 40.901 42.059 -0.064 0.000 0.893 250 L HN 0.540 nan 8.230 nan 0.000 0.432 251 H N -1.056 117.818 119.070 -0.327 0.000 2.489 251 H HA -0.192 4.363 4.556 -0.001 0.000 0.293 251 H C 1.331 176.576 175.328 -0.139 0.000 1.066 251 H CA 1.496 57.404 56.048 -0.232 0.000 1.305 251 H CB 0.087 29.697 29.762 -0.254 0.000 1.386 251 H HN 0.281 nan 8.280 nan 0.000 0.551 252 W N 0.413 121.334 121.300 -0.632 0.000 3.220 252 W HA 0.327 4.987 4.660 -0.001 0.000 0.328 252 W C 0.347 176.675 176.519 -0.317 0.000 1.205 252 W CA -0.547 56.446 57.345 -0.588 0.000 1.773 252 W CB -0.213 28.874 29.460 -0.623 0.000 1.086 252 W HN -0.070 nan 8.180 nan 0.000 0.622 253 R N 1.422 121.856 120.500 -0.109 0.000 2.229 253 R HA 0.228 4.568 4.340 -0.001 0.000 0.328 253 R C -0.023 176.212 176.300 -0.108 0.000 1.009 253 R CA -0.426 55.597 56.100 -0.129 0.000 0.864 253 R CB 0.699 30.891 30.300 -0.180 0.000 1.085 253 R HN -0.228 nan 8.270 nan 0.000 0.453 254 I N 4.801 125.312 120.570 -0.098 0.000 2.471 254 I HA -0.012 4.157 4.170 -0.001 0.000 0.286 254 I C 0.548 176.602 176.117 -0.106 0.000 1.079 254 I CA 0.254 61.492 61.300 -0.104 0.000 1.398 254 I CB 1.123 39.045 38.000 -0.130 0.000 1.403 254 I HN 0.699 nan 8.210 nan 0.000 0.530 255 K N 6.278 126.614 120.400 -0.107 0.000 1.971 255 K HA -0.149 4.170 4.320 -0.001 0.000 0.221 255 K C 1.967 178.515 176.600 -0.087 0.000 1.050 255 K CA 1.415 57.637 56.287 -0.109 0.000 0.967 255 K CB -0.291 32.148 32.500 -0.101 0.000 0.733 255 K HN 0.457 nan 8.250 nan 0.000 0.445 256 R N 0.165 120.623 120.500 -0.071 0.000 2.154 256 R HA -0.145 4.194 4.340 -0.001 0.000 0.236 256 R C -0.737 175.551 176.300 -0.020 0.000 1.121 256 R CA 2.082 58.164 56.100 -0.031 0.000 0.915 256 R CB -1.994 28.303 30.300 -0.005 0.000 0.856 256 R HN 0.196 nan 8.270 nan 0.000 0.431 257 P HA -0.017 nan 4.420 nan 0.000 0.236 257 P C -0.070 177.229 177.300 -0.002 0.000 1.172 257 P CA 1.252 64.365 63.100 0.022 0.000 0.759 257 P CB -0.144 31.571 31.700 0.025 0.000 0.843 258 N N -1.746 116.936 118.700 -0.031 0.000 2.273 258 N HA 0.155 4.894 4.740 -0.001 0.000 0.192 258 N C 1.572 177.057 175.510 -0.041 0.000 1.132 258 N CA 0.295 53.334 53.050 -0.019 0.000 0.887 258 N CB -0.234 38.266 38.487 0.021 0.000 1.048 258 N HN -0.103 nan 8.380 nan 0.000 0.490 259 A N 2.639 125.418 122.820 -0.069 0.000 1.859 259 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 259 A C -0.499 177.019 177.584 -0.109 0.000 1.209 259 A CA 1.621 53.616 52.037 -0.069 0.000 0.639 259 A CB -1.665 17.275 19.000 -0.101 0.000 0.835 259 A HN 0.123 nan 8.150 nan 0.000 0.450 260 P HA -0.322 nan 4.420 nan 0.000 0.214 260 P C 1.833 178.996 177.300 -0.229 0.000 0.989 260 P CA 2.888 65.706 63.100 -0.471 0.000 1.008 260 P CB -0.967 30.516 31.700 -0.361 0.000 0.747 261 V N -0.862 118.925 119.914 -0.213 0.000 2.277 261 V HA -0.244 3.875 4.120 -0.001 0.000 0.253 261 V C 2.254 178.043 176.094 -0.508 0.000 1.067 261 V CA 2.624 64.697 62.300 -0.379 0.000 1.047 261 V CB -1.699 29.805 31.823 -0.531 0.000 0.649 261 V HN 0.246 nan 8.190 nan 0.000 0.447 262 W N 0.644 121.654 121.300 -0.484 0.000 2.358 262 W HA -0.140 4.520 4.660 -0.001 0.000 0.303 262 W C 2.337 178.846 176.519 -0.017 0.000 1.208 262 W CA 2.362 59.539 57.345 -0.279 0.000 1.274 262 W CB -0.183 29.199 29.460 -0.130 0.000 1.138 262 W HN 0.393 nan 8.180 nan 0.000 0.515 263 I N 0.450 121.145 120.570 0.209 0.000 2.454 263 I HA -0.263 3.907 4.170 -0.001 0.000 0.254 263 I C 1.961 178.288 176.117 0.350 0.000 1.156 263 I CA 1.185 62.660 61.300 0.292 0.000 1.433 263 I CB -0.744 37.406 38.000 0.249 0.000 1.082 263 I HN -0.104 nan 8.210 nan 0.000 0.432 264 E N 0.967 121.320 120.200 0.256 0.000 1.999 264 E HA -0.183 4.167 4.350 -0.001 0.000 0.194 264 E C 1.800 178.549 176.600 0.248 0.000 0.995 264 E CA 1.475 58.021 56.400 0.244 0.000 0.825 264 E CB -0.397 29.389 29.700 0.143 0.000 0.777 264 E HN 0.307 nan 8.360 nan 0.000 0.459 265 W N 0.201 121.465 121.300 -0.061 0.000 2.255 265 W HA -0.282 4.378 4.660 -0.001 0.000 0.318 265 W C 2.484 178.912 176.519 -0.153 0.000 1.277 265 W CA 1.469 58.704 57.345 -0.182 0.000 1.286 265 W CB -1.655 27.572 29.460 -0.389 0.000 1.132 265 W HN 0.307 nan 8.180 nan 0.000 0.504 266 Y N 1.506 121.809 120.300 0.005 0.000 2.220 266 Y HA -0.224 4.326 4.550 -0.001 0.000 0.291 266 Y C 2.914 178.843 175.900 0.049 0.000 1.129 266 Y CA 2.881 60.982 58.100 0.001 0.000 1.161 266 Y CB -0.663 37.829 38.460 0.054 0.000 0.997 266 Y HN -0.004 nan 8.280 nan 0.000 0.522 267 R N 1.047 121.693 120.500 0.243 0.000 2.103 267 R HA -0.279 4.061 4.340 -0.001 0.000 0.242 267 R C 2.152 178.433 176.300 -0.033 0.000 1.142 267 R CA 2.146 58.322 56.100 0.126 0.000 0.960 267 R CB -0.609 29.778 30.300 0.145 0.000 0.858 267 R HN 0.312 nan 8.270 nan 0.000 0.439 268 K N 1.448 121.842 120.400 -0.010 0.000 1.978 268 K HA -0.126 4.194 4.320 -0.001 0.000 0.214 268 K C 0.546 177.068 176.600 -0.129 0.000 1.049 268 K CA 1.178 57.435 56.287 -0.050 0.000 0.939 268 K CB -0.519 31.969 32.500 -0.019 0.000 0.721 268 K HN 0.181 nan 8.250 nan 0.000 0.441 269 R N 1.063 121.453 120.500 -0.184 0.000 2.820 269 R HA -0.132 4.207 4.340 -0.001 0.000 0.244 269 R C -1.859 174.311 176.300 -0.217 0.000 0.843 269 R CA -0.151 55.809 56.100 -0.234 0.000 1.065 269 R CB 0.048 30.140 30.300 -0.348 0.000 0.915 269 R HN 0.284 nan 8.270 nan 0.000 0.407 270 P HA -0.091 nan 4.420 nan 0.000 0.215 270 P C 0.039 177.266 177.300 -0.122 0.000 1.157 270 P CA 1.231 64.259 63.100 -0.120 0.000 0.859 270 P CB 0.207 31.851 31.700 -0.093 0.000 0.786 271 D N -0.915 119.412 120.400 -0.121 0.000 2.378 271 D HA -0.050 4.589 4.640 -0.001 0.000 0.222 271 D C 0.913 177.135 176.300 -0.130 0.000 0.980 271 D CA 0.407 54.351 54.000 -0.093 0.000 0.907 271 D CB -1.058 39.705 40.800 -0.061 0.000 0.899 271 D HN 0.248 nan 8.370 nan 0.000 0.527 272 M N 0.455 119.895 119.600 -0.267 0.000 2.235 272 M HA 0.005 4.484 4.480 -0.001 0.000 0.316 272 M C -0.008 176.197 176.300 -0.158 0.000 1.035 272 M CA 0.137 55.155 55.300 -0.470 0.000 1.084 272 M CB 0.471 32.671 32.600 -0.666 0.000 1.529 272 M HN -0.204 nan 8.290 nan 0.000 0.440 273 N N 2.397 121.106 118.700 0.015 0.000 2.370 273 N HA 0.558 5.298 4.740 -0.001 0.000 0.303 273 N C -2.579 173.051 175.510 0.200 0.000 1.103 273 N CA -2.147 50.983 53.050 0.133 0.000 0.848 273 N CB 1.926 40.528 38.487 0.191 0.000 1.235 273 N HN 0.388 nan 8.380 nan 0.000 0.496 274 P HA 0.049 nan 4.420 nan 0.000 0.217 274 P C 1.541 178.924 177.300 0.139 0.000 1.153 274 P CA 0.454 63.633 63.100 0.132 0.000 0.843 274 P CB 0.454 32.202 31.700 0.080 0.000 0.794 275 V N 0.500 120.484 119.914 0.116 0.000 2.250 275 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 275 V C 2.596 178.764 176.094 0.122 0.000 1.060 275 V CA 2.138 64.501 62.300 0.105 0.000 1.030 275 V CB -1.482 30.397 31.823 0.093 0.000 0.643 275 V HN -0.067 nan 8.190 nan 0.000 0.445 276 V N -0.496 119.500 119.914 0.136 0.000 2.220 276 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 276 V C 2.389 178.556 176.094 0.121 0.000 1.049 276 V CA 2.374 64.740 62.300 0.109 0.000 1.003 276 V CB -0.667 31.199 31.823 0.072 0.000 0.634 276 V HN 0.546 nan 8.190 nan 0.000 0.444 277 L N -0.041 121.321 121.223 0.231 0.000 2.137 277 L HA -0.223 4.117 4.340 -0.001 0.000 0.213 277 L C 2.274 179.258 176.870 0.191 0.000 1.085 277 L CA 2.094 57.094 54.840 0.266 0.000 0.760 277 L CB -0.547 41.748 42.059 0.394 0.000 0.893 277 L HN 0.304 nan 8.230 nan 0.000 0.434 278 E N -0.930 119.363 120.200 0.155 0.000 2.107 278 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 278 E C 1.923 178.595 176.600 0.120 0.000 0.982 278 E CA 1.023 57.499 56.400 0.128 0.000 0.809 278 E CB -0.458 29.304 29.700 0.104 0.000 0.756 278 E HN 0.409 nan 8.360 nan 0.000 0.459 279 L N 0.468 121.759 121.223 0.113 0.000 2.017 279 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 279 L C 1.987 178.921 176.870 0.106 0.000 1.073 279 L CA 2.169 57.067 54.840 0.097 0.000 0.745 279 L CB -1.196 40.936 42.059 0.121 0.000 0.894 279 L HN 0.099 nan 8.230 nan 0.000 0.432 280 A N 0.233 123.126 122.820 0.120 0.000 1.849 280 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 280 A C 2.272 179.940 177.584 0.139 0.000 1.202 280 A CA 2.547 54.656 52.037 0.119 0.000 0.629 280 A CB -1.052 18.016 19.000 0.114 0.000 0.834 280 A HN 0.526 nan 8.150 nan 0.000 0.447 281 I N -0.937 119.764 120.570 0.218 0.000 2.226 281 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 281 I C 2.485 178.689 176.117 0.146 0.000 1.100 281 I CA 1.261 62.748 61.300 0.312 0.000 1.374 281 I CB -0.539 37.648 38.000 0.312 0.000 1.057 281 I HN 0.385 nan 8.210 nan 0.000 0.413 282 L N 1.488 122.772 121.223 0.103 0.000 1.961 282 L HA -0.266 4.073 4.340 -0.001 0.000 0.210 282 L C 2.095 178.943 176.870 -0.036 0.000 1.072 282 L CA 2.245 57.120 54.840 0.057 0.000 0.749 282 L CB -0.896 41.227 42.059 0.105 0.000 0.889 282 L HN 0.172 nan 8.230 nan 0.000 0.432 283 D N -0.892 119.510 120.400 0.004 0.000 2.133 283 D HA -0.280 4.360 4.640 -0.001 0.000 0.195 283 D C 2.369 178.611 176.300 -0.097 0.000 0.997 283 D CA 1.717 55.714 54.000 -0.006 0.000 0.840 283 D CB -0.265 40.592 40.800 0.095 0.000 0.947 283 D HN 0.433 nan 8.370 nan 0.000 0.452 284 L N -0.018 121.146 121.223 -0.099 0.000 2.081 284 L HA -0.202 4.138 4.340 -0.001 0.000 0.212 284 L C 1.669 178.376 176.870 -0.273 0.000 1.080 284 L CA 1.448 56.182 54.840 -0.177 0.000 0.754 284 L CB -0.252 41.696 42.059 -0.185 0.000 0.893 284 L HN 0.087 nan 8.230 nan 0.000 0.433 285 N N -0.133 118.358 118.700 -0.348 0.000 2.395 285 N HA 0.008 4.748 4.740 -0.001 0.000 0.175 285 N C 1.816 176.937 175.510 -0.648 0.000 1.029 285 N CA 1.129 53.787 53.050 -0.654 0.000 0.897 285 N CB 0.038 37.806 38.487 -1.198 0.000 0.991 285 N HN 0.429 nan 8.380 nan 0.000 0.441 286 I N 0.850 121.178 120.570 -0.404 0.000 2.546 286 I HA -0.157 4.012 4.170 -0.001 0.000 0.255 286 I C 2.130 178.110 176.117 -0.229 0.000 1.163 286 I CA 0.641 61.807 61.300 -0.223 0.000 1.457 286 I CB -0.006 37.948 38.000 -0.076 0.000 1.092 286 I HN -0.030 nan 8.210 nan 0.000 0.434 287 V N -2.171 117.549 119.914 -0.323 0.000 2.878 287 V HA -0.113 4.006 4.120 -0.001 0.000 0.250 287 V C 2.177 177.789 176.094 -0.804 0.000 1.075 287 V CA 0.866 62.868 62.300 -0.497 0.000 1.096 287 V CB -0.570 30.935 31.823 -0.530 0.000 0.724 287 V HN 0.368 nan 8.190 nan 0.000 0.467 288 Q N 0.793 120.229 119.800 -0.606 0.000 2.096 288 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 288 Q C 2.307 178.162 176.000 -0.242 0.000 0.982 288 Q CA 2.535 58.066 55.803 -0.454 0.000 0.850 288 Q CB -0.482 28.119 28.738 -0.228 0.000 0.901 288 Q HN 0.775 nan 8.270 nan 0.000 0.422 289 A N 0.401 123.115 122.820 -0.176 0.000 1.873 289 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 289 A C 2.064 179.624 177.584 -0.041 0.000 1.193 289 A CA 1.771 53.775 52.037 -0.056 0.000 0.629 289 A CB -0.928 18.054 19.000 -0.030 0.000 0.826 289 A HN 0.411 nan 8.150 nan 0.000 0.447 290 Q N -0.775 118.971 119.800 -0.090 0.000 2.029 290 Q HA -0.198 4.142 4.340 -0.001 0.000 0.209 290 Q C 1.875 177.994 176.000 0.197 0.000 0.999 290 Q CA 1.849 57.663 55.803 0.019 0.000 0.857 290 Q CB -0.682 28.048 28.738 -0.013 0.000 0.926 290 Q HN 0.627 nan 8.270 nan 0.000 0.415 291 F N 1.110 121.092 119.950 0.052 0.000 2.120 291 F HA -0.205 4.321 4.527 -0.001 0.000 0.300 291 F C 2.421 178.184 175.800 -0.062 0.000 1.095 291 F CA 1.194 59.260 58.000 0.109 0.000 1.249 291 F CB -1.156 37.938 39.000 0.156 0.000 0.995 291 F HN 0.291 nan 8.300 nan 0.000 0.480 292 Q N -0.315 119.570 119.800 0.142 0.000 2.124 292 Q HA -0.233 4.107 4.340 -0.001 0.000 0.202 292 Q C 2.096 178.075 176.000 -0.035 0.000 0.977 292 Q CA 1.687 57.505 55.803 0.024 0.000 0.850 292 Q CB -0.277 28.479 28.738 0.030 0.000 0.901 292 Q HN 0.426 nan 8.270 nan 0.000 0.429 293 E N 1.247 121.449 120.200 0.003 0.000 2.015 293 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 293 E C 1.685 178.265 176.600 -0.032 0.000 0.991 293 E CA 1.420 57.818 56.400 -0.002 0.000 0.802 293 E CB 0.120 29.838 29.700 0.030 0.000 0.759 293 E HN 0.296 nan 8.360 nan 0.000 0.447 294 E N 0.183 120.367 120.200 -0.027 0.000 2.049 294 E HA -0.251 4.098 4.350 -0.001 0.000 0.198 294 E C 2.160 178.567 176.600 -0.321 0.000 1.007 294 E CA 1.271 57.621 56.400 -0.083 0.000 0.809 294 E CB -0.395 29.336 29.700 0.052 0.000 0.749 294 E HN 0.204 nan 8.360 nan 0.000 0.450 295 L N 1.766 122.596 121.223 -0.656 0.000 2.034 295 L HA -0.286 4.053 4.340 -0.001 0.000 0.217 295 L C 1.982 178.731 176.870 -0.201 0.000 1.077 295 L CA 2.021 56.444 54.840 -0.694 0.000 0.769 295 L CB -0.413 41.344 42.059 -0.503 0.000 0.890 295 L HN -0.068 nan 8.230 nan 0.000 0.435 296 K N -0.759 119.578 120.400 -0.104 0.000 2.002 296 K HA -0.152 4.167 4.320 -0.001 0.000 0.209 296 K C 2.169 178.858 176.600 0.148 0.000 1.048 296 K CA 1.454 57.764 56.287 0.040 0.000 0.930 296 K CB -0.247 32.255 32.500 0.003 0.000 0.714 296 K HN 0.300 nan 8.250 nan 0.000 0.438 297 E N 0.293 120.544 120.200 0.086 0.000 2.085 297 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 297 E C 2.118 178.835 176.600 0.195 0.000 0.994 297 E CA 1.191 57.666 56.400 0.125 0.000 0.801 297 E CB -0.069 29.686 29.700 0.092 0.000 0.743 297 E HN 0.139 nan 8.360 nan 0.000 0.453 298 S N -0.225 115.579 115.700 0.173 0.000 2.402 298 S HA -0.092 4.378 4.470 -0.001 0.000 0.229 298 S C 1.587 176.433 174.600 0.410 0.000 1.021 298 S CA 0.556 58.910 58.200 0.256 0.000 0.974 298 S CB -0.248 63.057 63.200 0.175 0.000 0.800 298 S HN 0.300 nan 8.310 nan 0.000 0.484 299 F N 2.447 122.503 119.950 0.176 0.000 2.084 299 F HA -0.107 4.419 4.527 -0.001 0.000 0.296 299 F C 2.398 178.330 175.800 0.220 0.000 1.111 299 F CA 1.231 59.358 58.000 0.212 0.000 1.224 299 F CB -0.084 38.982 39.000 0.110 0.000 0.991 299 F HN 0.045 nan 8.300 nan 0.000 0.471 300 R N -0.528 120.109 120.500 0.228 0.000 2.112 300 R HA -0.300 4.039 4.340 -0.001 0.000 0.242 300 R C 2.058 178.384 176.300 0.042 0.000 1.137 300 R CA 2.273 58.427 56.100 0.090 0.000 0.944 300 R CB -1.569 28.808 30.300 0.129 0.000 0.857 300 R HN 0.565 nan 8.270 nan 0.000 0.435 301 W N 1.257 122.565 121.300 0.013 0.000 2.317 301 W HA -0.251 4.409 4.660 -0.001 0.000 0.318 301 W C 2.181 178.668 176.519 -0.052 0.000 1.227 301 W CA 1.249 58.595 57.345 0.002 0.000 1.269 301 W CB -0.637 28.872 29.460 0.082 0.000 1.155 301 W HN 0.260 nan 8.180 nan 0.000 0.484 302 W N 1.709 122.857 121.300 -0.253 0.000 2.318 302 W HA -0.319 4.341 4.660 -0.001 0.000 0.313 302 W C 2.160 178.233 176.519 -0.744 0.000 1.221 302 W CA 2.124 59.075 57.345 -0.656 0.000 1.266 302 W CB -0.428 28.897 29.460 -0.226 0.000 1.150 302 W HN -0.049 nan 8.180 nan 0.000 0.496 303 R N 0.175 120.248 120.500 -0.711 0.000 2.091 303 R HA -0.208 4.132 4.340 -0.001 0.000 0.238 303 R C 2.238 178.137 176.300 -0.669 0.000 1.136 303 R CA 1.822 57.490 56.100 -0.720 0.000 0.959 303 R CB -1.207 28.780 30.300 -0.521 0.000 0.856 303 R HN 0.290 nan 8.270 nan 0.000 0.437 304 N N 0.054 118.405 118.700 -0.582 0.000 2.036 304 N HA -0.222 4.517 4.740 -0.001 0.000 0.195 304 N C 1.820 176.926 175.510 -0.672 0.000 1.037 304 N CA 2.246 54.991 53.050 -0.508 0.000 0.855 304 N CB -0.140 38.110 38.487 -0.394 0.000 1.033 304 N HN 0.331 nan 8.380 nan 0.000 0.423 305 T N -1.400 112.531 114.554 -1.038 0.000 2.680 305 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 305 T C 1.462 175.576 174.700 -0.977 0.000 1.033 305 T CA 2.475 63.826 62.100 -1.248 0.000 1.152 305 T CB -0.944 66.612 68.868 -2.186 0.000 0.859 305 T HN 0.518 nan 8.240 nan 0.000 0.452 306 G N 0.107 108.335 108.800 -0.953 0.000 2.160 306 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.251 306 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.251 306 G C 0.551 175.192 174.900 -0.432 0.000 1.008 306 G CA 0.407 45.145 45.100 -0.602 0.000 0.724 306 G HN 0.485 nan 8.290 nan 0.000 0.514 307 F N 0.770 120.291 119.950 -0.715 0.000 2.134 307 F HA -0.091 4.436 4.527 -0.001 0.000 0.299 307 F C 2.921 178.464 175.800 -0.429 0.000 1.097 307 F CA 1.202 58.887 58.000 -0.525 0.000 1.264 307 F CB -1.242 37.433 39.000 -0.542 0.000 1.001 307 F HN 0.209 nan 8.300 nan 0.000 0.479 308 V N 0.046 119.757 119.914 -0.339 0.000 2.418 308 V HA -0.301 3.818 4.120 -0.001 0.000 0.258 308 V C 1.545 177.578 176.094 -0.102 0.000 1.088 308 V CA 2.429 64.638 62.300 -0.153 0.000 1.091 308 V CB -1.087 30.605 31.823 -0.218 0.000 0.669 308 V HN 0.339 nan 8.190 nan 0.000 0.461 309 E N -1.459 118.661 120.200 -0.134 0.000 2.441 309 E HA 0.136 4.485 4.350 -0.001 0.000 0.212 309 E C 1.824 178.381 176.600 -0.072 0.000 0.840 309 E CA -0.194 56.154 56.400 -0.087 0.000 1.143 309 E CB -0.051 29.596 29.700 -0.089 0.000 1.153 309 E HN 0.301 nan 8.360 nan 0.000 0.539 310 K N 0.181 120.539 120.400 -0.071 0.000 2.393 310 K HA 0.250 4.570 4.320 -0.001 0.000 0.193 310 K C -0.220 176.351 176.600 -0.048 0.000 1.026 310 K CA 0.198 56.467 56.287 -0.030 0.000 1.064 310 K CB 0.857 33.360 32.500 0.005 0.000 0.833 310 K HN 0.037 nan 8.250 nan 0.000 0.521 311 L N 0.967 122.109 121.223 -0.136 0.000 2.420 311 L HA 0.228 4.568 4.340 -0.001 0.000 0.260 311 L C -2.416 174.128 176.870 -0.543 0.000 1.508 311 L CA -0.852 53.757 54.840 -0.385 0.000 0.835 311 L CB 1.961 43.713 42.059 -0.511 0.000 1.018 311 L HN -0.178 nan 8.230 nan 0.000 0.520 312 P HA 0.025 nan 4.420 nan 0.000 0.245 312 P C 1.239 178.424 177.300 -0.191 0.000 1.206 312 P CA 0.319 63.294 63.100 -0.208 0.000 0.781 312 P CB -0.056 31.606 31.700 -0.064 0.000 0.994 313 F N -1.011 118.850 119.950 -0.149 0.000 2.558 313 F HA 0.411 4.937 4.527 -0.001 0.000 0.298 313 F C 0.830 176.693 175.800 0.105 0.000 1.119 313 F CA -0.876 57.096 58.000 -0.046 0.000 1.451 313 F CB -1.252 37.584 39.000 -0.273 0.000 1.091 313 F HN -0.207 nan 8.300 nan 0.000 0.563 314 A N 1.515 123.821 122.820 -0.856 0.000 2.327 314 A HA 0.476 4.796 4.320 -0.001 0.000 0.283 314 A C 0.258 177.727 177.584 -0.192 0.000 1.127 314 A CA -0.815 50.948 52.037 -0.457 0.000 0.810 314 A CB 0.229 18.852 19.000 -0.628 0.000 1.066 314 A HN 0.370 nan 8.150 nan 0.000 0.492 315 R N 1.221 121.545 120.500 -0.294 0.000 2.538 315 R HA 0.040 4.380 4.340 -0.001 0.000 0.282 315 R C -0.813 175.457 176.300 -0.051 0.000 1.009 315 R CA 0.233 56.141 56.100 -0.320 0.000 1.063 315 R CB 0.280 30.309 30.300 -0.451 0.000 0.945 315 R HN 0.719 nan 8.270 nan 0.000 0.414 316 D N 3.709 124.126 120.400 0.028 0.000 2.373 316 D HA 0.127 4.766 4.640 -0.001 0.000 0.227 316 D C -0.662 175.662 176.300 0.040 0.000 1.091 316 D CA -0.519 53.562 54.000 0.136 0.000 0.840 316 D CB 0.518 41.455 40.800 0.229 0.000 1.060 316 D HN 0.507 nan 8.370 nan 0.000 0.502 317 R N 3.981 124.429 120.500 -0.086 0.000 3.118 317 R HA 0.089 4.429 4.340 -0.001 0.000 0.215 317 R C -0.537 175.651 176.300 -0.187 0.000 1.651 317 R CA -0.445 55.605 56.100 -0.084 0.000 1.020 317 R CB -1.164 29.001 30.300 -0.225 0.000 1.526 317 R HN 0.395 nan 8.270 nan 0.000 0.485 318 L N 1.110 122.228 121.223 -0.175 0.000 2.375 318 L HA 0.078 4.417 4.340 -0.001 0.000 0.215 318 L C 1.476 178.375 176.870 0.048 0.000 1.108 318 L CA 0.954 55.684 54.840 -0.183 0.000 0.830 318 L CB 0.421 42.327 42.059 -0.256 0.000 0.959 318 L HN 0.330 nan 8.230 nan 0.000 0.457 319 V N -0.389 119.559 119.914 0.057 0.000 2.307 319 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 319 V C 2.407 178.479 176.094 -0.037 0.000 1.045 319 V CA 1.762 64.019 62.300 -0.072 0.000 1.024 319 V CB -0.835 30.695 31.823 -0.488 0.000 0.651 319 V HN 0.403 nan 8.190 nan 0.000 0.449 320 E N -0.064 120.123 120.200 -0.022 0.000 2.085 320 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 320 E C 2.162 178.922 176.600 0.267 0.000 0.994 320 E CA 1.854 58.301 56.400 0.078 0.000 0.801 320 E CB -0.874 28.782 29.700 -0.075 0.000 0.743 320 E HN 0.552 nan 8.360 nan 0.000 0.453 321 C N 0.007 119.412 119.300 0.176 0.000 2.425 321 C HA -0.117 4.342 4.460 -0.001 0.000 0.277 321 C C 2.506 177.599 174.990 0.171 0.000 1.280 321 C CA 0.706 59.855 59.018 0.220 0.000 1.744 321 C CB -0.818 26.971 27.740 0.080 0.000 1.989 321 C HN 0.505 nan 8.230 nan 0.000 0.491 322 Y N 0.283 120.619 120.300 0.059 0.000 2.220 322 Y HA -0.109 4.441 4.550 -0.001 0.000 0.291 322 Y C 2.157 178.057 175.900 -0.001 0.000 1.129 322 Y CA 1.580 59.687 58.100 0.013 0.000 1.161 322 Y CB -0.888 37.569 38.460 -0.004 0.000 0.997 322 Y HN 0.312 nan 8.280 nan 0.000 0.522 323 F N -0.162 119.647 119.950 -0.236 0.000 2.115 323 F HA -0.300 4.227 4.527 -0.001 0.000 0.300 323 F C 1.657 177.230 175.800 -0.379 0.000 1.092 323 F CA 1.845 59.618 58.000 -0.377 0.000 1.245 323 F CB -1.104 37.722 39.000 -0.290 0.000 0.995 323 F HN 0.199 nan 8.300 nan 0.000 0.481 324 W N 1.339 122.310 121.300 -0.549 0.000 2.290 324 W HA -0.300 4.359 4.660 -0.001 0.000 0.311 324 W C 2.183 178.333 176.519 -0.615 0.000 1.238 324 W CA 2.002 59.001 57.345 -0.577 0.000 1.255 324 W CB -0.729 28.557 29.460 -0.289 0.000 1.145 324 W HN 0.041 nan 8.180 nan 0.000 0.506 325 N N -0.689 117.784 118.700 -0.377 0.000 2.521 325 N HA -0.072 4.668 4.740 -0.001 0.000 0.188 325 N C 1.504 176.655 175.510 -0.598 0.000 1.146 325 N CA 1.606 54.392 53.050 -0.440 0.000 0.893 325 N CB -0.648 37.578 38.487 -0.435 0.000 0.975 325 N HN 0.319 nan 8.380 nan 0.000 0.451 326 T N -3.406 110.671 114.554 -0.794 0.000 3.067 326 T HA 0.118 4.467 4.350 -0.001 0.000 0.257 326 T C 1.792 176.176 174.700 -0.527 0.000 1.105 326 T CA 0.709 62.297 62.100 -0.853 0.000 1.104 326 T CB 0.164 68.456 68.868 -0.961 0.000 0.925 326 T HN 0.129 nan 8.240 nan 0.000 0.498 327 G N 1.052 109.534 108.800 -0.531 0.000 2.641 327 G HA2 0.233 4.193 3.960 -0.001 0.000 0.207 327 G HA3 0.233 4.193 3.960 -0.001 0.000 0.207 327 G C 1.365 176.114 174.900 -0.251 0.000 1.137 327 G CA 0.052 44.920 45.100 -0.386 0.000 0.824 327 G HN 0.514 nan 8.290 nan 0.000 0.547 328 I N 1.144 121.578 120.570 -0.227 0.000 2.333 328 I HA 0.111 4.280 4.170 -0.001 0.000 0.246 328 I C 0.904 176.940 176.117 -0.136 0.000 1.106 328 I CA 0.856 62.063 61.300 -0.156 0.000 1.411 328 I CB 0.071 37.993 38.000 -0.130 0.000 1.082 328 I HN 0.016 nan 8.210 nan 0.000 0.420 329 I N 1.175 121.664 120.570 -0.135 0.000 2.682 329 I HA 0.111 4.280 4.170 -0.001 0.000 0.302 329 I C 1.033 177.130 176.117 -0.034 0.000 1.180 329 I CA 0.032 61.301 61.300 -0.052 0.000 1.146 329 I CB -0.062 37.927 38.000 -0.019 0.000 1.756 329 I HN 0.241 nan 8.210 nan 0.000 0.559 330 E N 2.609 122.779 120.200 -0.051 0.000 2.130 330 E HA -0.121 4.229 4.350 -0.001 0.000 0.196 330 E C -1.270 175.312 176.600 -0.030 0.000 0.998 330 E CA 0.971 57.349 56.400 -0.038 0.000 0.806 330 E CB -0.968 28.699 29.700 -0.055 0.000 0.738 330 E HN 0.479 nan 8.360 nan 0.000 0.459 331 P HA -0.058 nan 4.420 nan 0.000 0.263 331 P C 0.354 177.564 177.300 -0.150 0.000 1.247 331 P CA 0.344 63.365 63.100 -0.133 0.000 0.876 331 P CB 0.015 31.607 31.700 -0.179 0.000 0.928 332 R N 4.666 125.101 120.500 -0.110 0.000 2.154 332 R HA -0.252 4.087 4.340 -0.001 0.000 0.248 332 R C 1.476 177.727 176.300 -0.082 0.000 1.155 332 R CA 1.391 57.462 56.100 -0.047 0.000 0.979 332 R CB -0.952 29.306 30.300 -0.069 0.000 0.869 332 R HN 0.414 nan 8.270 nan 0.000 0.452 333 Q N 1.454 121.129 119.800 -0.207 0.000 2.439 333 Q HA -0.160 4.180 4.340 -0.001 0.000 0.211 333 Q C -0.111 175.804 176.000 -0.143 0.000 0.978 333 Q CA 1.465 57.146 55.803 -0.203 0.000 0.897 333 Q CB -0.431 28.140 28.738 -0.278 0.000 0.956 333 Q HN 0.728 nan 8.270 nan 0.000 0.483 334 H N 0.354 119.433 119.070 0.015 0.000 2.557 334 H HA 0.450 5.006 4.556 -0.001 0.000 0.236 334 H C 1.182 176.537 175.328 0.044 0.000 1.676 334 H CA -0.139 55.922 56.048 0.021 0.000 1.197 334 H CB 0.671 30.435 29.762 0.003 0.000 1.604 334 H HN 0.380 nan 8.280 nan 0.000 0.509 335 A N 0.689 123.606 122.820 0.163 0.000 1.877 335 A HA -0.206 4.114 4.320 -0.001 0.000 0.216 335 A C 2.314 179.986 177.584 0.148 0.000 1.186 335 A CA 1.804 53.934 52.037 0.155 0.000 0.620 335 A CB -0.488 18.589 19.000 0.128 0.000 0.822 335 A HN 0.533 nan 8.150 nan 0.000 0.443 336 S N 0.886 116.663 115.700 0.128 0.000 2.365 336 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 336 S C 2.235 176.896 174.600 0.101 0.000 1.039 336 S CA 1.511 59.775 58.200 0.108 0.000 1.033 336 S CB -0.852 62.402 63.200 0.090 0.000 0.887 336 S HN 0.888 nan 8.310 nan 0.000 0.447 337 A N 2.044 124.914 122.820 0.085 0.000 1.883 337 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 337 A C 2.269 179.887 177.584 0.056 0.000 1.186 337 A CA 1.821 53.889 52.037 0.051 0.000 0.624 337 A CB -0.650 18.344 19.000 -0.011 0.000 0.822 337 A HN 0.395 nan 8.150 nan 0.000 0.444 338 R N -0.278 120.266 120.500 0.072 0.000 2.083 338 R HA -0.126 4.214 4.340 -0.001 0.000 0.237 338 R C 2.064 178.462 176.300 0.163 0.000 1.137 338 R CA 1.929 58.062 56.100 0.054 0.000 0.951 338 R CB -0.427 29.925 30.300 0.087 0.000 0.851 338 R HN 0.610 nan 8.270 nan 0.000 0.434 339 I N 0.436 121.128 120.570 0.202 0.000 2.099 339 I HA -0.352 3.817 4.170 -0.001 0.000 0.239 339 I C 2.534 178.719 176.117 0.112 0.000 1.066 339 I CA 1.616 63.029 61.300 0.189 0.000 1.324 339 I CB -0.966 37.117 38.000 0.137 0.000 1.037 339 I HN 0.355 nan 8.210 nan 0.000 0.401 340 M N 0.540 120.200 119.600 0.099 0.000 2.089 340 M HA -0.292 4.188 4.480 -0.001 0.000 0.257 340 M C 2.411 178.717 176.300 0.010 0.000 1.071 340 M CA 2.061 57.428 55.300 0.111 0.000 1.096 340 M CB -0.087 32.620 32.600 0.179 0.000 1.330 340 M HN 0.120 nan 8.290 nan 0.000 0.403 341 M N 0.076 119.678 119.600 0.003 0.000 2.117 341 M HA -0.080 4.400 4.480 -0.001 0.000 0.262 341 M C 2.380 178.622 176.300 -0.098 0.000 1.065 341 M CA 1.728 56.984 55.300 -0.074 0.000 1.114 341 M CB -2.219 30.331 32.600 -0.083 0.000 1.361 341 M HN 0.538 nan 8.290 nan 0.000 0.408 342 G N 1.097 109.899 108.800 0.003 0.000 2.513 342 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.219 342 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.219 342 G C 1.763 176.608 174.900 -0.091 0.000 1.160 342 G CA 1.150 46.298 45.100 0.081 0.000 0.767 342 G HN 0.475 nan 8.290 nan 0.000 0.571 343 K N -0.002 120.214 120.400 -0.308 0.000 2.007 343 K HA 0.036 4.356 4.320 -0.001 0.000 0.206 343 K C 2.569 178.746 176.600 -0.705 0.000 1.047 343 K CA 1.082 56.853 56.287 -0.860 0.000 0.937 343 K CB -0.695 30.993 32.500 -1.353 0.000 0.718 343 K HN 0.199 nan 8.250 nan 0.000 0.438 344 V N 3.109 122.658 119.914 -0.608 0.000 2.278 344 V HA -0.314 3.806 4.120 -0.001 0.000 0.251 344 V C 2.037 178.008 176.094 -0.205 0.000 1.062 344 V CA 1.929 63.957 62.300 -0.454 0.000 1.038 344 V CB -0.684 30.916 31.823 -0.372 0.000 0.646 344 V HN 0.356 nan 8.190 nan 0.000 0.447 345 N N 0.342 118.927 118.700 -0.192 0.000 2.058 345 N HA -0.133 4.607 4.740 -0.001 0.000 0.191 345 N C 1.986 177.472 175.510 -0.039 0.000 1.037 345 N CA 1.751 54.718 53.050 -0.138 0.000 0.848 345 N CB -0.550 37.848 38.487 -0.150 0.000 1.021 345 N HN 0.498 nan 8.380 nan 0.000 0.422 346 A N 1.983 124.790 122.820 -0.021 0.000 1.873 346 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 346 A C 2.468 180.196 177.584 0.240 0.000 1.193 346 A CA 1.176 53.230 52.037 0.028 0.000 0.629 346 A CB -1.027 18.034 19.000 0.102 0.000 0.826 346 A HN 0.228 nan 8.150 nan 0.000 0.447 347 L N -0.580 120.840 121.223 0.327 0.000 1.990 347 L HA -0.255 4.085 4.340 -0.001 0.000 0.213 347 L C 2.596 179.679 176.870 0.356 0.000 1.072 347 L CA 1.766 56.848 54.840 0.403 0.000 0.755 347 L CB -0.455 41.724 42.059 0.200 0.000 0.889 347 L HN 0.459 nan 8.230 nan 0.000 0.432 348 I N -0.941 119.819 120.570 0.317 0.000 2.091 348 I HA -0.364 3.805 4.170 -0.001 0.000 0.239 348 I C 2.486 178.726 176.117 0.204 0.000 1.061 348 I CA 1.916 63.399 61.300 0.306 0.000 1.317 348 I CB -0.708 37.365 38.000 0.122 0.000 1.031 348 I HN 0.299 nan 8.210 nan 0.000 0.401 349 T N 0.713 115.325 114.554 0.096 0.000 2.653 349 T HA -0.202 4.148 4.350 -0.001 0.000 0.268 349 T C 1.948 176.697 174.700 0.082 0.000 1.035 349 T CA 1.754 63.874 62.100 0.034 0.000 1.154 349 T CB -0.439 68.455 68.868 0.044 0.000 0.862 349 T HN 0.124 nan 8.240 nan 0.000 0.441 350 V N 1.331 121.335 119.914 0.151 0.000 2.295 350 V HA -0.129 3.991 4.120 -0.001 0.000 0.246 350 V C 2.427 178.631 176.094 0.184 0.000 1.049 350 V CA 1.466 63.833 62.300 0.111 0.000 1.024 350 V CB -0.596 31.279 31.823 0.086 0.000 0.648 350 V HN 0.513 nan 8.190 nan 0.000 0.447 351 I N 0.519 121.253 120.570 0.275 0.000 2.208 351 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 351 I C 2.395 178.679 176.117 0.278 0.000 1.097 351 I CA 2.303 63.850 61.300 0.412 0.000 1.363 351 I CB -0.637 37.692 38.000 0.549 0.000 1.051 351 I HN 0.432 nan 8.210 nan 0.000 0.413 352 D N 1.326 121.734 120.400 0.012 0.000 2.104 352 D HA -0.233 4.406 4.640 -0.001 0.000 0.194 352 D C 1.753 178.020 176.300 -0.054 0.000 0.994 352 D CA 1.645 55.423 54.000 -0.369 0.000 0.830 352 D CB -0.018 40.625 40.800 -0.261 0.000 0.959 352 D HN 0.185 nan 8.370 nan 0.000 0.452 353 D N -0.210 120.260 120.400 0.116 0.000 2.144 353 D HA -0.112 4.528 4.640 -0.001 0.000 0.199 353 D C 2.237 178.730 176.300 0.323 0.000 0.984 353 D CA 0.443 54.602 54.000 0.265 0.000 0.834 353 D CB -0.275 40.731 40.800 0.344 0.000 0.955 353 D HN 0.379 nan 8.370 nan 0.000 0.465 354 I N -0.083 120.704 120.570 0.362 0.000 2.264 354 I HA -0.318 3.851 4.170 -0.001 0.000 0.248 354 I C 1.952 178.079 176.117 0.017 0.000 1.111 354 I CA 1.134 62.519 61.300 0.141 0.000 1.382 354 I CB -0.056 38.029 38.000 0.141 0.000 1.060 354 I HN 0.033 nan 8.210 nan 0.000 0.418 355 Y N 0.799 121.128 120.300 0.049 0.000 2.231 355 Y HA -0.194 4.356 4.550 -0.001 0.000 0.294 355 Y C 2.100 177.989 175.900 -0.018 0.000 1.120 355 Y CA 1.468 59.585 58.100 0.028 0.000 1.141 355 Y CB -0.172 38.241 38.460 -0.077 0.000 1.022 355 Y HN 0.343 nan 8.280 nan 0.000 0.523 356 D N -1.776 118.656 120.400 0.052 0.000 2.340 356 D HA 0.055 4.695 4.640 -0.001 0.000 0.217 356 D C 0.882 177.121 176.300 -0.102 0.000 1.081 356 D CA 0.491 54.432 54.000 -0.098 0.000 0.842 356 D CB 0.032 40.754 40.800 -0.131 0.000 0.934 356 D HN 0.191 nan 8.370 nan 0.000 0.511 357 V N -0.962 118.967 119.914 0.024 0.000 3.914 357 V HA 0.085 4.205 4.120 -0.001 0.000 0.187 357 V C 1.197 177.321 176.094 0.050 0.000 1.258 357 V CA -0.111 62.226 62.300 0.061 0.000 1.298 357 V CB -0.576 31.372 31.823 0.207 0.000 1.453 357 V HN 0.062 nan 8.190 nan 0.000 0.553 358 Y N 1.866 122.071 120.300 -0.158 0.000 2.159 358 Y HA 0.296 4.846 4.550 -0.001 0.000 0.263 358 Y C 1.690 177.409 175.900 -0.303 0.000 1.082 358 Y CA 1.507 59.351 58.100 -0.428 0.000 1.072 358 Y CB -1.092 36.585 38.460 -1.305 0.000 1.003 358 Y HN 0.316 nan 8.280 nan 0.000 0.474 359 G N 0.310 109.001 108.800 -0.182 0.000 2.614 359 G HA2 0.177 4.137 3.960 -0.001 0.000 0.229 359 G HA3 0.177 4.137 3.960 -0.001 0.000 0.229 359 G C -0.183 174.708 174.900 -0.014 0.000 1.232 359 G CA 0.333 45.384 45.100 -0.081 0.000 0.857 359 G HN 0.596 nan 8.290 nan 0.000 0.560 360 T N 0.026 114.549 114.554 -0.050 0.000 2.944 360 T HA 0.392 4.741 4.350 -0.001 0.000 0.284 360 T C 1.595 176.220 174.700 -0.125 0.000 1.010 360 T CA -0.979 61.055 62.100 -0.110 0.000 1.025 360 T CB 1.388 70.153 68.868 -0.171 0.000 1.079 360 T HN 0.299 nan 8.240 nan 0.000 0.516 361 L N 0.419 121.427 121.223 -0.358 0.000 2.021 361 L HA -0.145 4.194 4.340 -0.001 0.000 0.215 361 L C 2.521 179.340 176.870 -0.085 0.000 1.074 361 L CA 2.185 56.904 54.840 -0.202 0.000 0.760 361 L CB -0.842 41.009 42.059 -0.347 0.000 0.889 361 L HN 0.797 nan 8.230 nan 0.000 0.433 362 E N 0.286 120.414 120.200 -0.120 0.000 2.023 362 E HA -0.218 4.131 4.350 -0.001 0.000 0.196 362 E C 2.033 178.597 176.600 -0.061 0.000 1.003 362 E CA 1.390 57.743 56.400 -0.078 0.000 0.809 362 E CB -0.239 29.407 29.700 -0.089 0.000 0.755 362 E HN 0.501 nan 8.360 nan 0.000 0.449 363 E N 0.108 120.258 120.200 -0.084 0.000 2.097 363 E HA -0.189 4.160 4.350 -0.001 0.000 0.196 363 E C 2.238 178.796 176.600 -0.071 0.000 1.000 363 E CA 1.028 57.366 56.400 -0.104 0.000 0.804 363 E CB -0.197 29.434 29.700 -0.115 0.000 0.740 363 E HN 0.232 nan 8.360 nan 0.000 0.454 364 L N 0.902 122.103 121.223 -0.037 0.000 2.023 364 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 364 L C 2.493 179.445 176.870 0.136 0.000 1.073 364 L CA 0.826 55.673 54.840 0.012 0.000 0.745 364 L CB -0.553 41.541 42.059 0.057 0.000 0.900 364 L HN 0.046 nan 8.230 nan 0.000 0.435 365 E N 0.517 120.777 120.200 0.100 0.000 2.086 365 E HA -0.334 4.015 4.350 -0.001 0.000 0.200 365 E C 2.082 178.723 176.600 0.068 0.000 1.012 365 E CA 2.023 58.477 56.400 0.090 0.000 0.812 365 E CB -0.256 29.472 29.700 0.046 0.000 0.743 365 E HN 0.602 nan 8.360 nan 0.000 0.453 366 Q N -0.248 119.576 119.800 0.040 0.000 2.123 366 Q HA -0.148 4.191 4.340 -0.001 0.000 0.199 366 Q C 2.148 178.177 176.000 0.049 0.000 0.966 366 Q CA 0.919 56.731 55.803 0.014 0.000 0.845 366 Q CB -0.307 28.417 28.738 -0.024 0.000 0.907 366 Q HN 0.158 nan 8.270 nan 0.000 0.439 367 F N 1.795 121.677 119.950 -0.113 0.000 2.075 367 F HA -0.139 4.387 4.527 -0.001 0.000 0.297 367 F C 2.078 177.860 175.800 -0.029 0.000 1.113 367 F CA 2.014 59.938 58.000 -0.127 0.000 1.218 367 F CB -0.816 38.091 39.000 -0.155 0.000 0.984 367 F HN 0.064 nan 8.300 nan 0.000 0.472 368 T N -0.320 114.315 114.554 0.134 0.000 2.737 368 T HA -0.242 4.108 4.350 -0.001 0.000 0.269 368 T C 1.535 176.225 174.700 -0.016 0.000 1.040 368 T CA 1.833 63.989 62.100 0.092 0.000 1.142 368 T CB -0.454 68.539 68.868 0.208 0.000 0.861 368 T HN 0.293 nan 8.240 nan 0.000 0.456 369 D N 0.511 120.898 120.400 -0.021 0.000 2.103 369 D HA 0.007 4.647 4.640 -0.001 0.000 0.199 369 D C 2.028 178.265 176.300 -0.105 0.000 0.978 369 D CA 0.535 54.511 54.000 -0.041 0.000 0.829 369 D CB -0.391 40.393 40.800 -0.028 0.000 0.981 369 D HN 0.224 nan 8.370 nan 0.000 0.464 370 L N 0.253 121.362 121.223 -0.190 0.000 2.081 370 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 370 L C 2.302 178.895 176.870 -0.463 0.000 1.080 370 L CA 1.164 55.801 54.840 -0.339 0.000 0.754 370 L CB -0.179 41.600 42.059 -0.466 0.000 0.893 370 L HN 0.159 nan 8.230 nan 0.000 0.433 371 I N -1.231 119.062 120.570 -0.461 0.000 2.202 371 I HA -0.293 3.877 4.170 -0.001 0.000 0.242 371 I C 2.701 178.872 176.117 0.091 0.000 1.091 371 I CA 1.063 62.156 61.300 -0.344 0.000 1.368 371 I CB -0.495 37.352 38.000 -0.255 0.000 1.058 371 I HN 0.280 nan 8.210 nan 0.000 0.410 372 R N 1.544 122.075 120.500 0.051 0.000 2.096 372 R HA -0.178 4.162 4.340 -0.001 0.000 0.240 372 R C 1.927 178.320 176.300 0.154 0.000 1.139 372 R CA 1.722 57.892 56.100 0.116 0.000 0.952 372 R CB -0.090 30.238 30.300 0.047 0.000 0.854 372 R HN 0.376 nan 8.270 nan 0.000 0.436 373 R N -0.815 119.745 120.500 0.099 0.000 2.359 373 R HA -0.015 4.324 4.340 -0.001 0.000 0.231 373 R C -0.007 176.428 176.300 0.225 0.000 0.913 373 R CA -0.235 55.935 56.100 0.117 0.000 1.075 373 R CB 0.085 30.412 30.300 0.045 0.000 1.087 373 R HN 0.345 nan 8.270 nan 0.000 0.515 374 W N 2.975 124.292 121.300 0.028 0.000 7.512 374 W HA -0.232 4.428 4.660 -0.001 0.000 0.420 374 W C -1.076 175.531 176.519 0.147 0.000 1.669 374 W CA 0.738 58.175 57.345 0.154 0.000 1.211 374 W CB -1.097 28.475 29.460 0.186 0.000 2.898 374 W HN 0.170 nan 8.180 nan 0.000 1.644 375 D N 2.268 122.680 120.400 0.020 0.000 2.494 375 D HA 0.121 4.760 4.640 -0.001 0.000 0.217 375 D C 1.088 177.399 176.300 0.019 0.000 1.153 375 D CA -0.113 53.901 54.000 0.024 0.000 0.954 375 D CB -0.044 40.724 40.800 -0.053 0.000 1.034 375 D HN 0.262 nan 8.370 nan 0.000 0.518 376 I N 2.201 122.911 120.570 0.233 0.000 2.830 376 I HA -0.045 4.124 4.170 -0.001 0.000 0.263 376 I C 0.786 176.990 176.117 0.145 0.000 1.230 376 I CA 0.928 62.419 61.300 0.317 0.000 1.480 376 I CB 0.019 38.192 38.000 0.288 0.000 1.095 376 I HN 0.128 nan 8.210 nan 0.000 0.455 377 N N 0.630 119.387 118.700 0.095 0.000 2.413 377 N HA 0.078 4.818 4.740 -0.001 0.000 0.207 377 N C 0.483 176.006 175.510 0.021 0.000 1.206 377 N CA 0.429 53.512 53.050 0.055 0.000 0.832 377 N CB 0.333 38.850 38.487 0.051 0.000 1.037 377 N HN 0.331 nan 8.380 nan 0.000 0.467 378 S N -0.401 115.299 115.700 0.001 0.000 2.904 378 S HA 0.198 4.668 4.470 -0.001 0.000 0.260 378 S C 1.222 175.794 174.600 -0.046 0.000 1.000 378 S CA -0.484 57.697 58.200 -0.032 0.000 1.274 378 S CB 0.587 63.751 63.200 -0.059 0.000 1.196 378 S HN 0.262 nan 8.310 nan 0.000 0.678 379 I N 1.976 122.541 120.570 -0.010 0.000 2.597 379 I HA -0.222 3.948 4.170 -0.001 0.000 0.262 379 I C 0.699 176.814 176.117 -0.003 0.000 1.194 379 I CA 1.434 62.742 61.300 0.014 0.000 1.437 379 I CB 0.147 38.231 38.000 0.141 0.000 1.096 379 I HN 0.072 nan 8.210 nan 0.000 0.451 380 D N 0.203 120.598 120.400 -0.008 0.000 2.349 380 D HA -0.075 4.565 4.640 -0.001 0.000 0.224 380 D C 1.773 178.052 176.300 -0.035 0.000 1.029 380 D CA 0.518 54.509 54.000 -0.015 0.000 0.879 380 D CB 0.295 41.092 40.800 -0.006 0.000 0.906 380 D HN 0.485 nan 8.370 nan 0.000 0.528 381 Q N -0.617 119.153 119.800 -0.051 0.000 2.391 381 Q HA 0.188 4.528 4.340 -0.001 0.000 0.211 381 Q C 0.348 176.299 176.000 -0.082 0.000 0.908 381 Q CA 0.199 55.966 55.803 -0.060 0.000 0.920 381 Q CB 0.510 29.211 28.738 -0.061 0.000 1.056 381 Q HN 0.249 nan 8.270 nan 0.000 0.523 382 L N 0.669 121.831 121.223 -0.103 0.000 2.439 382 L HA 0.433 4.772 4.340 -0.001 0.000 0.259 382 L C -2.102 174.652 176.870 -0.193 0.000 1.129 382 L CA -2.483 52.263 54.840 -0.157 0.000 0.803 382 L CB -0.436 41.521 42.059 -0.170 0.000 1.161 382 L HN -0.185 nan 8.230 nan 0.000 0.462 383 P HA -0.034 nan 4.420 nan 0.000 0.265 383 P C -0.141 176.996 177.300 -0.272 0.000 1.187 383 P CA 0.224 63.145 63.100 -0.298 0.000 0.766 383 P CB 0.536 31.925 31.700 -0.519 0.000 0.820 384 D N 1.858 122.198 120.400 -0.100 0.000 2.149 384 D HA -0.247 4.393 4.640 -0.001 0.000 0.194 384 D C 1.699 177.987 176.300 -0.020 0.000 1.001 384 D CA 1.659 55.637 54.000 -0.037 0.000 0.849 384 D CB -0.486 40.327 40.800 0.021 0.000 0.939 384 D HN 0.610 nan 8.370 nan 0.000 0.449 385 Y N -1.037 119.237 120.300 -0.043 0.000 2.274 385 Y HA -0.091 4.459 4.550 -0.001 0.000 0.290 385 Y C 1.970 177.799 175.900 -0.119 0.000 1.145 385 Y CA 0.737 58.798 58.100 -0.065 0.000 1.203 385 Y CB -0.470 37.954 38.460 -0.061 0.000 0.984 385 Y HN -0.032 nan 8.280 nan 0.000 0.533 386 M N 0.385 119.613 119.600 -0.621 0.000 2.447 386 M HA -0.112 4.368 4.480 -0.001 0.000 0.264 386 M C 1.994 178.246 176.300 -0.079 0.000 1.095 386 M CA 1.152 56.127 55.300 -0.541 0.000 1.125 386 M CB -0.011 32.050 32.600 -0.898 0.000 1.389 386 M HN 0.433 nan 8.290 nan 0.000 0.459 387 Q N 0.112 119.881 119.800 -0.053 0.000 2.049 387 Q HA -0.098 4.241 4.340 -0.001 0.000 0.198 387 Q C 2.127 178.206 176.000 0.131 0.000 0.971 387 Q CA 1.010 56.856 55.803 0.072 0.000 0.833 387 Q CB -0.083 28.672 28.738 0.028 0.000 0.896 387 Q HN 0.476 nan 8.270 nan 0.000 0.434 388 L N 0.414 121.697 121.223 0.101 0.000 2.012 388 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 388 L C 2.627 179.634 176.870 0.227 0.000 1.073 388 L CA 1.353 56.282 54.840 0.150 0.000 0.748 388 L CB -0.535 41.618 42.059 0.157 0.000 0.891 388 L HN 0.500 nan 8.230 nan 0.000 0.431 389 C N -0.410 118.990 119.300 0.166 0.000 2.436 389 C HA -0.265 4.194 4.460 -0.001 0.000 0.277 389 C C 2.798 177.957 174.990 0.281 0.000 1.241 389 C CA 0.931 60.058 59.018 0.181 0.000 1.721 389 C CB -1.089 26.708 27.740 0.096 0.000 2.043 389 C HN 0.593 nan 8.230 nan 0.000 0.472 390 F N 1.086 121.136 119.950 0.167 0.000 2.126 390 F HA -0.077 4.449 4.527 -0.001 0.000 0.299 390 F C 1.894 177.687 175.800 -0.012 0.000 1.096 390 F CA 1.920 59.940 58.000 0.034 0.000 1.255 390 F CB -0.802 38.193 39.000 -0.009 0.000 0.997 390 F HN 0.232 nan 8.300 nan 0.000 0.479 391 L N 0.782 121.969 121.223 -0.061 0.000 2.046 391 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 391 L C 2.519 179.333 176.870 -0.092 0.000 1.077 391 L CA 2.033 56.780 54.840 -0.155 0.000 0.747 391 L CB -1.515 40.551 42.059 0.012 0.000 0.896 391 L HN 0.186 nan 8.230 nan 0.000 0.432 392 A N -0.550 122.307 122.820 0.062 0.000 1.873 392 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 392 A C 2.374 180.049 177.584 0.151 0.000 1.193 392 A CA 2.206 54.342 52.037 0.166 0.000 0.629 392 A CB -1.052 18.182 19.000 0.390 0.000 0.826 392 A HN 0.495 nan 8.150 nan 0.000 0.447 393 L N -0.484 120.751 121.223 0.020 0.000 1.970 393 L HA -0.286 4.054 4.340 -0.001 0.000 0.212 393 L C 2.555 179.406 176.870 -0.032 0.000 1.071 393 L CA 2.265 57.041 54.840 -0.108 0.000 0.751 393 L CB -0.513 41.351 42.059 -0.325 0.000 0.889 393 L HN 0.667 nan 8.230 nan 0.000 0.432 394 N N -0.200 118.349 118.700 -0.252 0.000 2.091 394 N HA -0.270 4.470 4.740 -0.001 0.000 0.193 394 N C 1.522 177.053 175.510 0.035 0.000 1.021 394 N CA 2.008 55.018 53.050 -0.067 0.000 0.862 394 N CB -0.069 38.215 38.487 -0.339 0.000 1.018 394 N HN 0.259 nan 8.380 nan 0.000 0.429 395 N N -0.751 117.966 118.700 0.028 0.000 2.166 395 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 395 N C 1.286 176.874 175.510 0.130 0.000 1.019 395 N CA 0.860 53.956 53.050 0.078 0.000 0.856 395 N CB -0.493 38.053 38.487 0.098 0.000 0.993 395 N HN 0.383 nan 8.380 nan 0.000 0.426 396 F N 1.222 121.217 119.950 0.075 0.000 2.098 396 F HA -0.092 4.435 4.527 -0.001 0.000 0.294 396 F C 2.262 178.111 175.800 0.082 0.000 1.107 396 F CA 1.064 59.108 58.000 0.074 0.000 1.234 396 F CB -0.794 38.236 39.000 0.049 0.000 1.002 396 F HN -0.081 nan 8.300 nan 0.000 0.472 397 V N 0.213 120.044 119.914 -0.139 0.000 2.343 397 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 397 V C 2.032 178.004 176.094 -0.203 0.000 1.051 397 V CA 2.682 64.871 62.300 -0.186 0.000 1.036 397 V CB -0.871 31.021 31.823 0.115 0.000 0.654 397 V HN 0.334 nan 8.190 nan 0.000 0.451 398 D N 0.449 120.796 120.400 -0.088 0.000 2.104 398 D HA -0.193 4.446 4.640 -0.001 0.000 0.194 398 D C 1.924 178.190 176.300 -0.056 0.000 0.994 398 D CA 2.091 56.058 54.000 -0.054 0.000 0.830 398 D CB -0.492 40.302 40.800 -0.010 0.000 0.959 398 D HN 0.802 nan 8.370 nan 0.000 0.452 399 D N -0.679 119.665 120.400 -0.093 0.000 2.144 399 D HA -0.108 4.532 4.640 -0.001 0.000 0.200 399 D C 1.761 178.015 176.300 -0.077 0.000 0.978 399 D CA 1.520 55.482 54.000 -0.063 0.000 0.833 399 D CB -0.130 40.644 40.800 -0.045 0.000 0.961 399 D HN 0.015 nan 8.370 nan 0.000 0.470 400 T N -0.879 113.506 114.554 -0.281 0.000 2.737 400 T HA -0.096 4.253 4.350 -0.001 0.000 0.265 400 T C 2.018 176.635 174.700 -0.138 0.000 1.038 400 T CA 1.561 63.498 62.100 -0.272 0.000 1.144 400 T CB -0.372 68.169 68.868 -0.545 0.000 0.866 400 T HN 0.119 nan 8.240 nan 0.000 0.434 401 S N 0.566 116.181 115.700 -0.142 0.000 2.419 401 S HA -0.113 4.356 4.470 -0.001 0.000 0.235 401 S C 1.640 176.211 174.600 -0.048 0.000 1.019 401 S CA 0.827 58.958 58.200 -0.115 0.000 0.982 401 S CB -0.480 62.649 63.200 -0.120 0.000 0.789 401 S HN 0.593 nan 8.310 nan 0.000 0.490 402 Y N 2.565 122.806 120.300 -0.099 0.000 2.184 402 Y HA -0.141 4.409 4.550 -0.001 0.000 0.290 402 Y C 1.786 177.659 175.900 -0.045 0.000 1.129 402 Y CA 1.576 59.639 58.100 -0.063 0.000 1.144 402 Y CB -0.318 38.110 38.460 -0.053 0.000 0.995 402 Y HN 0.114 nan 8.280 nan 0.000 0.513 403 D N -0.502 119.934 120.400 0.059 0.000 2.084 403 D HA -0.196 4.443 4.640 -0.001 0.000 0.194 403 D C 2.434 178.692 176.300 -0.071 0.000 0.990 403 D CA 1.661 55.666 54.000 0.007 0.000 0.826 403 D CB -0.695 40.135 40.800 0.051 0.000 0.971 403 D HN 0.274 nan 8.370 nan 0.000 0.453 404 V N 1.274 121.158 119.914 -0.050 0.000 2.332 404 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 404 V C 2.419 178.471 176.094 -0.070 0.000 1.055 404 V CA 1.963 64.249 62.300 -0.024 0.000 1.038 404 V CB -0.447 31.369 31.823 -0.010 0.000 0.651 404 V HN 0.270 nan 8.190 nan 0.000 0.450 405 M N -0.214 119.297 119.600 -0.148 0.000 2.156 405 M HA -0.162 4.317 4.480 -0.001 0.000 0.264 405 M C 2.226 178.373 176.300 -0.255 0.000 1.067 405 M CA 2.246 57.431 55.300 -0.190 0.000 1.131 405 M CB -0.414 32.050 32.600 -0.225 0.000 1.368 405 M HN 0.161 nan 8.290 nan 0.000 0.416 406 K N 0.486 120.657 120.400 -0.382 0.000 2.032 406 K HA -0.223 4.096 4.320 -0.001 0.000 0.209 406 K C 1.978 178.476 176.600 -0.171 0.000 1.048 406 K CA 2.172 58.246 56.287 -0.355 0.000 0.927 406 K CB -0.232 32.022 32.500 -0.409 0.000 0.712 406 K HN 0.750 nan 8.250 nan 0.000 0.441 407 E N -0.395 119.735 120.200 -0.117 0.000 2.127 407 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 407 E C 1.523 178.083 176.600 -0.068 0.000 0.964 407 E CA 0.692 57.052 56.400 -0.067 0.000 0.832 407 E CB 0.053 29.736 29.700 -0.028 0.000 0.790 407 E HN 0.064 nan 8.360 nan 0.000 0.465 408 K N -0.126 120.233 120.400 -0.068 0.000 2.379 408 K HA 0.176 4.496 4.320 -0.001 0.000 0.194 408 K C 0.880 177.387 176.600 -0.155 0.000 1.031 408 K CA 0.726 56.950 56.287 -0.105 0.000 1.037 408 K CB 0.807 33.265 32.500 -0.069 0.000 0.824 408 K HN 0.361 nan 8.250 nan 0.000 0.516 409 G N 0.586 109.310 108.800 -0.127 0.000 2.136 409 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.242 409 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.242 409 G C -0.080 174.755 174.900 -0.110 0.000 0.989 409 G CA 0.259 45.285 45.100 -0.124 0.000 0.682 409 G HN 0.217 nan 8.290 nan 0.000 0.522 410 V N -2.498 117.364 119.914 -0.088 0.000 2.769 410 V HA 0.687 4.807 4.120 -0.001 0.000 0.312 410 V C 0.239 176.322 176.094 -0.017 0.000 1.061 410 V CA -1.008 61.274 62.300 -0.029 0.000 0.931 410 V CB 2.061 33.906 31.823 0.037 0.000 1.010 410 V HN 0.343 nan 8.190 nan 0.000 0.433 411 N N 2.430 121.124 118.700 -0.009 0.000 2.555 411 N HA 0.239 4.978 4.740 -0.001 0.000 0.244 411 N C 0.515 176.013 175.510 -0.021 0.000 1.114 411 N CA -0.274 52.754 53.050 -0.037 0.000 0.963 411 N CB 1.439 39.897 38.487 -0.048 0.000 1.276 411 N HN 0.813 nan 8.380 nan 0.000 0.510 412 V N 3.306 123.180 119.914 -0.067 0.000 3.514 412 V HA 0.004 4.123 4.120 -0.001 0.000 0.301 412 V C 2.157 178.139 176.094 -0.187 0.000 1.346 412 V CA -0.263 61.969 62.300 -0.114 0.000 1.156 412 V CB -0.965 30.581 31.823 -0.462 0.000 1.029 412 V HN 0.665 nan 8.190 nan 0.000 0.428 413 I N 0.914 121.377 120.570 -0.179 0.000 2.208 413 I HA -0.031 4.138 4.170 -0.001 0.000 0.245 413 I C -0.232 175.712 176.117 -0.288 0.000 1.097 413 I CA 1.909 63.080 61.300 -0.216 0.000 1.363 413 I CB -2.314 35.573 38.000 -0.188 0.000 1.051 413 I HN 0.314 nan 8.210 nan 0.000 0.413 414 P HA -0.145 nan 4.420 nan 0.000 0.221 414 P C 1.243 178.241 177.300 -0.504 0.000 1.145 414 P CA 1.718 64.550 63.100 -0.445 0.000 0.795 414 P CB -0.242 31.145 31.700 -0.522 0.000 0.775 415 Y N -1.165 118.947 120.300 -0.313 0.000 2.205 415 Y HA 0.025 4.575 4.550 -0.001 0.000 0.292 415 Y C 2.299 178.080 175.900 -0.199 0.000 1.119 415 Y CA 0.503 58.368 58.100 -0.392 0.000 1.117 415 Y CB -1.387 36.853 38.460 -0.365 0.000 1.037 415 Y HN -0.256 nan 8.280 nan 0.000 0.510 416 L N 0.247 121.459 121.223 -0.019 0.000 2.081 416 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 416 L C 2.415 179.398 176.870 0.188 0.000 1.080 416 L CA 1.560 56.409 54.840 0.016 0.000 0.754 416 L CB -0.799 41.222 42.059 -0.063 0.000 0.893 416 L HN 0.088 nan 8.230 nan 0.000 0.433 417 R N -1.101 119.351 120.500 -0.080 0.000 2.105 417 R HA -0.238 4.101 4.340 -0.001 0.000 0.239 417 R C 2.326 178.612 176.300 -0.024 0.000 1.135 417 R CA 1.546 57.431 56.100 -0.359 0.000 0.967 417 R CB -0.164 29.681 30.300 -0.759 0.000 0.861 417 R HN 0.370 nan 8.270 nan 0.000 0.442 418 Q N -0.391 119.404 119.800 -0.007 0.000 2.119 418 Q HA -0.065 4.275 4.340 -0.001 0.000 0.201 418 Q C 1.790 177.920 176.000 0.217 0.000 0.972 418 Q CA 2.066 57.914 55.803 0.075 0.000 0.847 418 Q CB 0.074 28.785 28.738 -0.045 0.000 0.903 418 Q HN 0.211 nan 8.270 nan 0.000 0.433 419 S N -0.282 115.583 115.700 0.274 0.000 2.374 419 S HA -0.190 4.279 4.470 -0.001 0.000 0.227 419 S C 1.317 175.913 174.600 -0.007 0.000 1.037 419 S CA 1.529 59.834 58.200 0.175 0.000 1.024 419 S CB -0.560 62.663 63.200 0.038 0.000 0.861 419 S HN 0.551 nan 8.310 nan 0.000 0.456 420 W N 1.025 122.493 121.300 0.280 0.000 2.409 420 W HA 0.018 4.678 4.660 -0.001 0.000 0.299 420 W C 2.373 179.021 176.519 0.215 0.000 1.203 420 W CA 0.142 57.657 57.345 0.284 0.000 1.298 420 W CB -0.968 28.774 29.460 0.471 0.000 1.127 420 W HN 0.013 nan 8.180 nan 0.000 0.528 421 V N 0.891 121.079 119.914 0.456 0.000 2.255 421 V HA -0.339 3.780 4.120 -0.001 0.000 0.247 421 V C 1.968 178.136 176.094 0.123 0.000 1.051 421 V CA 2.323 64.798 62.300 0.292 0.000 1.018 421 V CB -0.832 31.142 31.823 0.252 0.000 0.641 421 V HN 0.120 nan 8.190 nan 0.000 0.445 422 D N -0.322 120.127 120.400 0.083 0.000 2.104 422 D HA -0.166 4.474 4.640 -0.001 0.000 0.194 422 D C 2.032 178.247 176.300 -0.142 0.000 0.994 422 D CA 1.391 55.384 54.000 -0.011 0.000 0.830 422 D CB -0.413 40.422 40.800 0.059 0.000 0.959 422 D HN 0.325 nan 8.370 nan 0.000 0.452 423 L N 1.487 122.598 121.223 -0.186 0.000 1.978 423 L HA -0.220 4.119 4.340 -0.001 0.000 0.218 423 L C 2.255 178.843 176.870 -0.470 0.000 1.075 423 L CA 2.358 56.944 54.840 -0.423 0.000 0.767 423 L CB -1.169 40.655 42.059 -0.392 0.000 0.890 423 L HN 0.012 nan 8.230 nan 0.000 0.434 424 A N -0.802 121.912 122.820 -0.176 0.000 1.892 424 A HA -0.333 3.987 4.320 -0.001 0.000 0.218 424 A C 2.145 179.599 177.584 -0.217 0.000 1.188 424 A CA 2.123 54.065 52.037 -0.157 0.000 0.631 424 A CB -1.276 17.750 19.000 0.044 0.000 0.822 424 A HN 0.647 nan 8.150 nan 0.000 0.447 425 D N -0.589 119.733 120.400 -0.129 0.000 2.158 425 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 425 D C 1.870 178.054 176.300 -0.193 0.000 0.995 425 D CA 1.577 55.510 54.000 -0.111 0.000 0.846 425 D CB -0.008 40.744 40.800 -0.079 0.000 0.941 425 D HN 0.283 nan 8.370 nan 0.000 0.456 426 K N -0.466 119.752 120.400 -0.304 0.000 2.062 426 K HA -0.118 4.201 4.320 -0.001 0.000 0.205 426 K C 2.228 178.635 176.600 -0.322 0.000 1.051 426 K CA 0.644 56.710 56.287 -0.369 0.000 0.941 426 K CB -0.896 31.303 32.500 -0.502 0.000 0.719 426 K HN 0.313 nan 8.250 nan 0.000 0.440 427 Y N 1.135 121.191 120.300 -0.407 0.000 2.193 427 Y HA -0.207 4.342 4.550 -0.001 0.000 0.285 427 Y C 2.475 178.177 175.900 -0.331 0.000 1.166 427 Y CA 1.028 58.842 58.100 -0.476 0.000 1.181 427 Y CB -0.571 37.328 38.460 -0.935 0.000 0.976 427 Y HN -0.006 nan 8.280 nan 0.000 0.520 428 M N 0.014 119.544 119.600 -0.117 0.000 2.065 428 M HA -0.157 4.323 4.480 -0.001 0.000 0.259 428 M C 2.550 178.834 176.300 -0.025 0.000 1.071 428 M CA 1.994 57.351 55.300 0.094 0.000 1.109 428 M CB -1.189 31.475 32.600 0.106 0.000 1.313 428 M HN 0.147 nan 8.290 nan 0.000 0.408 429 V N -1.081 118.709 119.914 -0.207 0.000 2.380 429 V HA -0.290 3.829 4.120 -0.001 0.000 0.251 429 V C 1.852 177.486 176.094 -0.767 0.000 1.063 429 V CA 2.474 64.491 62.300 -0.472 0.000 1.055 429 V CB -1.088 30.395 31.823 -0.566 0.000 0.657 429 V HN 0.655 nan 8.190 nan 0.000 0.455 430 E N 0.743 120.650 120.200 -0.489 0.000 2.072 430 E HA -0.062 4.288 4.350 -0.001 0.000 0.191 430 E C 2.429 179.066 176.600 0.062 0.000 0.985 430 E CA 1.284 57.529 56.400 -0.258 0.000 0.801 430 E CB -0.386 29.281 29.700 -0.055 0.000 0.750 430 E HN 0.765 nan 8.360 nan 0.000 0.452 431 A N 1.435 124.327 122.820 0.121 0.000 1.930 431 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 431 A C 2.029 179.825 177.584 0.354 0.000 1.175 431 A CA 0.957 53.171 52.037 0.296 0.000 0.627 431 A CB -0.273 18.969 19.000 0.402 0.000 0.815 431 A HN 0.068 nan 8.150 nan 0.000 0.443 432 R N -1.420 119.205 120.500 0.210 0.000 2.075 432 R HA -0.161 4.178 4.340 -0.001 0.000 0.232 432 R C 2.028 178.539 176.300 0.353 0.000 1.126 432 R CA 1.462 57.700 56.100 0.231 0.000 0.963 432 R CB -0.358 30.002 30.300 0.100 0.000 0.858 432 R HN 0.714 nan 8.270 nan 0.000 0.435 433 W N 0.632 122.094 121.300 0.271 0.000 2.354 433 W HA -0.170 4.489 4.660 -0.001 0.000 0.315 433 W C 2.119 178.788 176.519 0.250 0.000 1.206 433 W CA 0.149 57.691 57.345 0.328 0.000 1.290 433 W CB -1.394 28.283 29.460 0.361 0.000 1.152 433 W HN -0.003 nan 8.180 nan 0.000 0.489 434 F N 0.073 120.237 119.950 0.356 0.000 2.011 434 F HA -0.312 4.214 4.527 -0.001 0.000 0.296 434 F C 2.393 178.248 175.800 0.092 0.000 1.144 434 F CA 1.913 59.994 58.000 0.135 0.000 1.185 434 F CB -1.494 37.479 39.000 -0.045 0.000 0.961 434 F HN -0.123 nan 8.300 nan 0.000 0.485 435 Y N 0.397 120.424 120.300 -0.455 0.000 2.128 435 Y HA -0.138 4.412 4.550 -0.001 0.000 0.284 435 Y C 2.675 178.449 175.900 -0.210 0.000 1.154 435 Y CA 0.884 58.694 58.100 -0.484 0.000 1.149 435 Y CB -1.074 37.303 38.460 -0.140 0.000 0.976 435 Y HN 0.244 nan 8.280 nan 0.000 0.505 436 G N -0.451 108.437 108.800 0.146 0.000 2.807 436 G HA2 0.069 4.028 3.960 -0.001 0.000 0.207 436 G HA3 0.069 4.028 3.960 -0.001 0.000 0.207 436 G C 1.322 176.292 174.900 0.117 0.000 1.151 436 G CA 0.423 45.607 45.100 0.140 0.000 0.800 436 G HN 0.606 nan 8.290 nan 0.000 0.523 437 G N -0.124 108.701 108.800 0.041 0.000 2.390 437 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.299 437 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.299 437 G C 0.209 175.190 174.900 0.136 0.000 1.002 437 G CA 0.617 45.737 45.100 0.033 0.000 0.979 437 G HN 0.825 nan 8.290 nan 0.000 0.513 438 H N -0.516 118.604 119.070 0.083 0.000 2.482 438 H HA 0.562 5.118 4.556 -0.001 0.000 0.344 438 H C -0.052 175.267 175.328 -0.016 0.000 1.151 438 H CA -0.514 55.552 56.048 0.030 0.000 1.300 438 H CB 0.929 30.722 29.762 0.053 0.000 1.494 438 H HN 0.082 nan 8.280 nan 0.000 0.542 439 K N 5.759 125.778 120.400 -0.635 0.000 2.579 439 K HA 0.259 4.579 4.320 -0.001 0.000 0.225 439 K C -2.336 173.763 176.600 -0.834 0.000 0.992 439 K CA -1.896 54.062 56.287 -0.547 0.000 1.018 439 K CB 1.144 33.506 32.500 -0.229 0.000 1.249 439 K HN 0.472 nan 8.250 nan 0.000 0.489 440 P HA 0.055 nan 4.420 nan 0.000 0.291 440 P C -0.823 176.275 177.300 -0.336 0.000 1.287 440 P CA -0.455 62.186 63.100 -0.764 0.000 0.767 440 P CB 0.456 31.632 31.700 -0.873 0.000 1.290 441 S N -1.879 113.712 115.700 -0.181 0.000 2.536 441 S HA 0.291 4.761 4.470 -0.001 0.000 0.287 441 S C 1.061 175.690 174.600 0.049 0.000 1.101 441 S CA -0.879 57.267 58.200 -0.090 0.000 0.950 441 S CB 1.010 64.156 63.200 -0.090 0.000 1.056 441 S HN 0.310 nan 8.310 nan 0.000 0.481 442 L N 0.770 122.048 121.223 0.091 0.000 2.125 442 L HA -0.258 4.081 4.340 -0.001 0.000 0.234 442 L C 2.619 179.677 176.870 0.314 0.000 1.110 442 L CA 2.694 57.684 54.840 0.250 0.000 0.832 442 L CB -0.974 41.291 42.059 0.343 0.000 0.922 442 L HN 0.975 nan 8.230 nan 0.000 0.449 443 E N -0.112 120.234 120.200 0.244 0.000 2.051 443 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 443 E C 2.035 178.793 176.600 0.265 0.000 0.991 443 E CA 1.611 58.163 56.400 0.252 0.000 0.799 443 E CB -0.122 29.693 29.700 0.192 0.000 0.748 443 E HN 0.427 nan 8.360 nan 0.000 0.449 444 E N -1.140 119.183 120.200 0.206 0.000 2.049 444 E HA -0.255 4.095 4.350 -0.001 0.000 0.198 444 E C 2.057 178.869 176.600 0.352 0.000 1.007 444 E CA 1.533 58.064 56.400 0.218 0.000 0.809 444 E CB -0.368 29.375 29.700 0.071 0.000 0.749 444 E HN 0.370 nan 8.360 nan 0.000 0.450 445 Y N 1.015 121.435 120.300 0.200 0.000 2.070 445 Y HA -0.245 4.305 4.550 -0.001 0.000 0.280 445 Y C 2.076 178.175 175.900 0.331 0.000 1.148 445 Y CA 1.737 60.034 58.100 0.327 0.000 1.125 445 Y CB -0.455 38.131 38.460 0.211 0.000 0.975 445 Y HN 0.013 nan 8.280 nan 0.000 0.492 446 L N 0.324 121.815 121.223 0.447 0.000 2.137 446 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 446 L C 2.378 179.510 176.870 0.437 0.000 1.085 446 L CA 1.520 56.621 54.840 0.436 0.000 0.760 446 L CB -0.452 41.931 42.059 0.540 0.000 0.893 446 L HN 0.352 nan 8.230 nan 0.000 0.434 447 E N -0.675 119.755 120.200 0.383 0.000 2.285 447 E HA -0.154 4.195 4.350 -0.001 0.000 0.194 447 E C 1.606 178.310 176.600 0.173 0.000 0.997 447 E CA 0.735 57.395 56.400 0.433 0.000 0.845 447 E CB 0.039 29.945 29.700 0.344 0.000 0.782 447 E HN 0.502 nan 8.360 nan 0.000 0.491 448 N N -0.069 118.625 118.700 -0.010 0.000 2.436 448 N HA -0.109 4.630 4.740 -0.001 0.000 0.178 448 N C 1.782 177.004 175.510 -0.480 0.000 1.026 448 N CA 1.231 54.125 53.050 -0.259 0.000 0.880 448 N CB 0.052 38.439 38.487 -0.167 0.000 1.061 448 N HN -0.004 nan 8.380 nan 0.000 0.434 449 S N 1.088 116.513 115.700 -0.458 0.000 2.378 449 S HA -0.220 4.250 4.470 -0.001 0.000 0.229 449 S C 1.966 176.298 174.600 -0.446 0.000 1.052 449 S CA 1.630 59.517 58.200 -0.522 0.000 1.084 449 S CB -1.452 61.444 63.200 -0.505 0.000 0.950 449 S HN 0.653 nan 8.310 nan 0.000 0.440 450 W N 1.384 122.300 121.300 -0.639 0.000 2.632 450 W HA 0.080 4.739 4.660 -0.001 0.000 0.248 450 W C 1.467 177.632 176.519 -0.589 0.000 1.259 450 W CA 0.803 57.645 57.345 -0.839 0.000 1.288 450 W CB -0.692 27.763 29.460 -1.675 0.000 1.136 450 W HN 0.463 nan 8.180 nan 0.000 0.640 451 Q N 0.740 119.841 119.800 -1.165 0.000 2.423 451 Q HA -0.065 4.275 4.340 -0.001 0.000 0.231 451 Q C 2.468 178.012 176.000 -0.760 0.000 0.894 451 Q CA 1.157 56.296 55.803 -1.108 0.000 0.938 451 Q CB 0.163 28.155 28.738 -1.242 0.000 1.079 451 Q HN 0.216 nan 8.270 nan 0.000 0.552 452 S N -0.065 115.245 115.700 -0.650 0.000 2.607 452 S HA -0.035 4.435 4.470 -0.001 0.000 0.224 452 S C 1.533 175.866 174.600 -0.445 0.000 0.969 452 S CA 0.271 58.102 58.200 -0.615 0.000 0.927 452 S CB 0.033 62.999 63.200 -0.391 0.000 0.772 452 S HN 0.299 nan 8.310 nan 0.000 0.533 453 I N 1.652 121.985 120.570 -0.395 0.000 3.226 453 I HA 0.098 4.267 4.170 -0.001 0.000 0.277 453 I C 1.460 177.390 176.117 -0.312 0.000 1.243 453 I CA 0.970 62.110 61.300 -0.267 0.000 1.459 453 I CB 0.192 38.051 38.000 -0.234 0.000 1.093 453 I HN 0.602 nan 8.210 nan 0.000 0.453 454 S N -1.894 113.549 115.700 -0.428 0.000 2.372 454 S HA -0.180 4.290 4.470 -0.001 0.000 0.257 454 S C 1.731 176.082 174.600 -0.415 0.000 1.282 454 S CA 0.904 58.841 58.200 -0.437 0.000 1.305 454 S CB -2.891 60.099 63.200 -0.351 0.000 1.614 454 S HN 0.610 nan 8.310 nan 0.000 0.631 455 G N 2.989 111.564 108.800 -0.376 0.000 2.556 455 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.220 455 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.220 455 G C -0.246 174.430 174.900 -0.373 0.000 1.156 455 G CA 1.577 46.480 45.100 -0.330 0.000 0.766 455 G HN 0.653 nan 8.290 nan 0.000 0.583 456 P HA -0.066 nan 4.420 nan 0.000 0.216 456 P C 2.203 179.180 177.300 -0.538 0.000 1.153 456 P CA 1.059 63.750 63.100 -0.681 0.000 0.848 456 P CB -0.290 30.684 31.700 -1.210 0.000 0.787 457 C N -0.805 118.212 119.300 -0.472 0.000 2.473 457 C HA -0.092 4.367 4.460 -0.001 0.000 0.279 457 C C 2.723 177.611 174.990 -0.169 0.000 1.250 457 C CA 0.987 59.794 59.018 -0.351 0.000 1.713 457 C CB -1.677 25.740 27.740 -0.539 0.000 2.066 457 C HN 0.090 nan 8.230 nan 0.000 0.474 458 M N 0.258 119.698 119.600 -0.266 0.000 2.073 458 M HA -0.197 4.282 4.480 -0.001 0.000 0.258 458 M C 2.104 178.343 176.300 -0.102 0.000 1.070 458 M CA 2.020 57.197 55.300 -0.204 0.000 1.103 458 M CB -0.643 31.798 32.600 -0.264 0.000 1.321 458 M HN 0.384 nan 8.290 nan 0.000 0.405 459 L N -0.296 120.828 121.223 -0.165 0.000 2.131 459 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 459 L C 2.767 179.614 176.870 -0.038 0.000 1.092 459 L CA 1.677 56.459 54.840 -0.097 0.000 0.759 459 L CB -1.056 40.886 42.059 -0.195 0.000 0.903 459 L HN 0.514 nan 8.230 nan 0.000 0.435 460 T N -4.930 109.523 114.554 -0.168 0.000 2.904 460 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 460 T C 1.811 176.510 174.700 -0.002 0.000 1.059 460 T CA 0.782 62.724 62.100 -0.262 0.000 1.137 460 T CB -0.427 68.175 68.868 -0.444 0.000 0.879 460 T HN 0.346 nan 8.240 nan 0.000 0.467 461 H N 1.000 120.111 119.070 0.069 0.000 2.357 461 H HA 0.113 4.669 4.556 -0.001 0.000 0.301 461 H C 2.341 177.751 175.328 0.136 0.000 1.082 461 H CA 1.617 57.777 56.048 0.187 0.000 1.342 461 H CB -0.121 29.722 29.762 0.136 0.000 1.389 461 H HN 0.381 nan 8.280 nan 0.000 0.511 462 I N 0.407 121.073 120.570 0.160 0.000 2.226 462 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 462 I C 2.522 178.597 176.117 -0.069 0.000 1.100 462 I CA 1.004 62.340 61.300 0.059 0.000 1.374 462 I CB -0.415 37.628 38.000 0.071 0.000 1.057 462 I HN 0.075 nan 8.210 nan 0.000 0.413 463 F N 2.163 121.892 119.950 -0.369 0.000 2.063 463 F HA -0.336 4.190 4.527 -0.001 0.000 0.298 463 F C 2.090 177.408 175.800 -0.803 0.000 1.105 463 F CA 1.824 59.260 58.000 -0.939 0.000 1.215 463 F CB -0.794 37.286 39.000 -1.533 0.000 0.972 463 F HN -0.075 nan 8.300 nan 0.000 0.483 464 F N 0.264 119.727 119.950 -0.813 0.000 2.202 464 F HA -0.154 4.373 4.527 -0.001 0.000 0.301 464 F C 2.326 177.820 175.800 -0.509 0.000 1.082 464 F CA 1.205 58.648 58.000 -0.927 0.000 1.313 464 F CB -0.681 38.021 39.000 -0.496 0.000 1.024 464 F HN -0.089 nan 8.300 nan 0.000 0.495 465 R N -0.416 119.974 120.500 -0.184 0.000 2.112 465 R HA 0.090 4.429 4.340 -0.001 0.000 0.216 465 R C 2.291 178.422 176.300 -0.282 0.000 1.080 465 R CA 0.533 56.551 56.100 -0.137 0.000 0.996 465 R CB -1.166 29.096 30.300 -0.064 0.000 0.902 465 R HN 0.184 nan 8.270 nan 0.000 0.449 466 V N 0.749 120.411 119.914 -0.420 0.000 2.788 466 V HA -0.015 4.105 4.120 -0.001 0.000 0.251 466 V C 0.467 176.363 176.094 -0.330 0.000 1.068 466 V CA 1.154 63.100 62.300 -0.591 0.000 1.090 466 V CB -0.094 31.476 31.823 -0.421 0.000 0.710 466 V HN 0.202 nan 8.190 nan 0.000 0.467 467 T N 0.881 115.181 114.554 -0.422 0.000 2.780 467 T HA 0.143 4.493 4.350 -0.001 0.000 0.294 467 T C 0.647 175.295 174.700 -0.088 0.000 0.949 467 T CA -0.263 61.636 62.100 -0.335 0.000 1.074 467 T CB 0.938 69.317 68.868 -0.816 0.000 0.910 467 T HN 0.311 nan 8.240 nan 0.000 0.501 468 D N 1.612 122.012 120.400 -0.001 0.000 2.333 468 D HA 0.034 4.674 4.640 -0.001 0.000 0.208 468 D C 0.737 177.029 176.300 -0.013 0.000 0.984 468 D CA 0.507 54.520 54.000 0.021 0.000 0.873 468 D CB 0.465 41.274 40.800 0.015 0.000 0.935 468 D HN 0.513 nan 8.370 nan 0.000 0.521 469 S N 0.385 116.095 115.700 0.016 0.000 2.614 469 S HA 0.347 4.817 4.470 -0.001 0.000 0.259 469 S C -0.603 174.024 174.600 0.044 0.000 1.118 469 S CA -0.932 57.206 58.200 -0.103 0.000 1.065 469 S CB -0.481 62.672 63.200 -0.078 0.000 1.121 469 S HN 0.033 nan 8.310 nan 0.000 0.458 470 F N 1.925 121.844 119.950 -0.051 0.000 2.355 470 F HA 0.768 5.294 4.527 -0.001 0.000 0.340 470 F C 1.409 177.235 175.800 0.043 0.000 1.067 470 F CA -1.042 56.976 58.000 0.031 0.000 1.116 470 F CB 0.011 39.078 39.000 0.111 0.000 1.582 470 F HN 0.420 nan 8.300 nan 0.000 0.512 471 T N -1.183 113.540 114.554 0.283 0.000 2.233 471 T HA 0.270 4.619 4.350 -0.001 0.000 0.172 471 T C 0.386 175.185 174.700 0.164 0.000 0.740 471 T CA 0.027 62.208 62.100 0.135 0.000 1.172 471 T CB 0.315 69.238 68.868 0.091 0.000 2.941 471 T HN 0.579 nan 8.240 nan 0.000 0.398 472 K N -0.496 119.979 120.400 0.124 0.000 2.803 472 K HA 0.217 4.537 4.320 -0.001 0.000 0.166 472 K C 1.511 178.150 176.600 0.064 0.000 1.975 472 K CA 0.417 56.775 56.287 0.119 0.000 1.390 472 K CB -0.641 31.925 32.500 0.109 0.000 2.217 472 K HN 0.072 nan 8.250 nan 0.000 0.591 473 E N 1.190 121.414 120.200 0.040 0.000 2.017 473 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 473 E C 1.246 177.830 176.600 -0.028 0.000 0.997 473 E CA 2.205 58.609 56.400 0.006 0.000 0.804 473 E CB -0.504 29.192 29.700 -0.006 0.000 0.757 473 E HN 0.380 nan 8.360 nan 0.000 0.448 474 T N 1.207 115.739 114.554 -0.036 0.000 2.570 474 T HA -0.191 4.159 4.350 -0.001 0.000 0.266 474 T C 2.058 176.644 174.700 -0.190 0.000 1.071 474 T CA 2.224 64.254 62.100 -0.118 0.000 1.172 474 T CB -0.640 68.215 68.868 -0.022 0.000 0.864 474 T HN 0.005 nan 8.240 nan 0.000 0.421 475 V N 1.940 121.762 119.914 -0.154 0.000 2.250 475 V HA -0.262 3.858 4.120 -0.001 0.000 0.250 475 V C 2.455 178.495 176.094 -0.089 0.000 1.060 475 V CA 2.154 64.300 62.300 -0.256 0.000 1.030 475 V CB -0.693 31.009 31.823 -0.202 0.000 0.643 475 V HN 0.453 nan 8.190 nan 0.000 0.445 476 D N -0.029 120.359 120.400 -0.019 0.000 2.104 476 D HA -0.131 4.509 4.640 -0.001 0.000 0.194 476 D C 2.448 178.772 176.300 0.041 0.000 0.994 476 D CA 1.875 55.906 54.000 0.051 0.000 0.830 476 D CB -0.324 40.506 40.800 0.049 0.000 0.959 476 D HN 0.470 nan 8.370 nan 0.000 0.452 477 S N 0.707 116.404 115.700 -0.004 0.000 2.353 477 S HA -0.176 4.293 4.470 -0.001 0.000 0.222 477 S C 1.989 176.648 174.600 0.098 0.000 1.035 477 S CA 0.834 59.048 58.200 0.024 0.000 1.025 477 S CB -0.500 62.684 63.200 -0.025 0.000 0.902 477 S HN 0.265 nan 8.310 nan 0.000 0.440 478 L N 0.724 121.968 121.223 0.035 0.000 2.013 478 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 478 L C 1.916 178.772 176.870 -0.023 0.000 1.073 478 L CA 1.860 56.713 54.840 0.022 0.000 0.753 478 L CB -0.906 40.852 42.059 -0.502 0.000 0.890 478 L HN 0.277 nan 8.230 nan 0.000 0.432 479 Y N 0.480 120.731 120.300 -0.080 0.000 2.616 479 Y HA -0.085 4.465 4.550 -0.001 0.000 0.296 479 Y C 2.194 177.882 175.900 -0.353 0.000 1.154 479 Y CA 1.092 59.114 58.100 -0.129 0.000 1.325 479 Y CB -0.224 38.175 38.460 -0.102 0.000 1.007 479 Y HN 0.413 nan 8.280 nan 0.000 0.542 480 K N -1.287 119.087 120.400 -0.044 0.000 2.486 480 K HA -0.114 4.206 4.320 -0.001 0.000 0.194 480 K C -0.976 175.592 176.600 -0.053 0.000 1.033 480 K CA 0.493 56.716 56.287 -0.106 0.000 1.004 480 K CB -0.110 32.375 32.500 -0.025 0.000 0.798 480 K HN 0.108 nan 8.250 nan 0.000 0.495 481 Y N 0.932 121.256 120.300 0.039 0.000 2.852 481 Y HA -0.206 4.344 4.550 -0.001 0.000 0.052 481 Y C -0.075 175.833 175.900 0.013 0.000 2.087 481 Y CA -0.482 57.635 58.100 0.028 0.000 1.143 481 Y CB -2.570 35.969 38.460 0.132 0.000 1.819 481 Y HN 0.398 nan 8.280 nan 0.000 0.299 482 H N 3.976 123.104 119.070 0.098 0.000 2.897 482 H HA -0.002 4.553 4.556 -0.001 0.000 0.347 482 H C 1.042 176.271 175.328 -0.166 0.000 1.068 482 H CA 1.185 57.250 56.048 0.028 0.000 1.426 482 H CB 0.908 30.826 29.762 0.260 0.000 1.410 482 H HN 0.656 nan 8.280 nan 0.000 0.597 483 D N 4.113 124.111 120.400 -0.670 0.000 2.170 483 D HA -0.227 4.413 4.640 -0.001 0.000 0.193 483 D C 2.229 178.040 176.300 -0.815 0.000 1.004 483 D CA 1.102 54.510 54.000 -0.986 0.000 0.860 483 D CB 0.043 40.202 40.800 -1.067 0.000 0.931 483 D HN 0.461 nan 8.370 nan 0.000 0.448 484 L N 0.859 122.115 121.223 0.055 0.000 1.956 484 L HA -0.205 4.134 4.340 -0.001 0.000 0.216 484 L C 2.473 179.267 176.870 -0.127 0.000 1.073 484 L CA 1.507 56.403 54.840 0.094 0.000 0.762 484 L CB -0.957 41.202 42.059 0.168 0.000 0.889 484 L HN -0.069 nan 8.230 nan 0.000 0.433 485 V N 0.457 120.308 119.914 -0.106 0.000 2.278 485 V HA -0.393 3.726 4.120 -0.001 0.000 0.251 485 V C 2.810 178.770 176.094 -0.224 0.000 1.062 485 V CA 2.403 64.593 62.300 -0.183 0.000 1.038 485 V CB -0.901 30.844 31.823 -0.129 0.000 0.646 485 V HN 0.629 nan 8.190 nan 0.000 0.447 486 R N -0.989 119.269 120.500 -0.404 0.000 2.094 486 R HA -0.221 4.118 4.340 -0.001 0.000 0.239 486 R C 2.203 178.221 176.300 -0.471 0.000 1.137 486 R CA 2.507 58.148 56.100 -0.765 0.000 0.943 486 R CB -0.325 29.218 30.300 -1.262 0.000 0.850 486 R HN 0.575 nan 8.270 nan 0.000 0.433 487 W N 0.290 121.502 121.300 -0.148 0.000 2.418 487 W HA 0.020 4.680 4.660 -0.001 0.000 0.292 487 W C 2.618 179.023 176.519 -0.190 0.000 1.213 487 W CA 0.897 58.164 57.345 -0.129 0.000 1.283 487 W CB -1.210 28.130 29.460 -0.199 0.000 1.119 487 W HN 0.279 nan 8.180 nan 0.000 0.542 488 S N 0.576 116.228 115.700 -0.081 0.000 2.382 488 S HA -0.148 4.322 4.470 -0.001 0.000 0.228 488 S C 1.907 176.413 174.600 -0.157 0.000 1.027 488 S CA 2.092 60.169 58.200 -0.205 0.000 0.991 488 S CB -0.410 62.632 63.200 -0.263 0.000 0.823 488 S HN 0.099 nan 8.310 nan 0.000 0.469 489 S N 0.527 116.153 115.700 -0.123 0.000 2.423 489 S HA 0.074 4.544 4.470 -0.001 0.000 0.231 489 S C 1.373 175.927 174.600 -0.078 0.000 1.014 489 S CA 0.717 58.845 58.200 -0.120 0.000 0.965 489 S CB -0.535 62.609 63.200 -0.093 0.000 0.785 489 S HN 0.541 nan 8.310 nan 0.000 0.495 490 F N 1.740 121.667 119.950 -0.039 0.000 2.163 490 F HA -0.008 4.519 4.527 -0.001 0.000 0.297 490 F C 2.383 178.139 175.800 -0.074 0.000 1.094 490 F CA 0.225 58.212 58.000 -0.021 0.000 1.290 490 F CB -0.682 38.294 39.000 -0.041 0.000 1.017 490 F HN -0.006 nan 8.300 nan 0.000 0.483 491 V N -0.126 119.810 119.914 0.037 0.000 2.270 491 V HA -0.268 3.851 4.120 -0.001 0.000 0.245 491 V C 2.375 178.465 176.094 -0.006 0.000 1.043 491 V CA 1.564 63.821 62.300 -0.072 0.000 1.014 491 V CB -0.834 30.824 31.823 -0.275 0.000 0.645 491 V HN 0.277 nan 8.190 nan 0.000 0.447 492 L N 0.986 122.197 121.223 -0.020 0.000 1.991 492 L HA -0.272 4.067 4.340 -0.001 0.000 0.221 492 L C 2.567 179.436 176.870 -0.002 0.000 1.079 492 L CA 2.956 57.812 54.840 0.026 0.000 0.778 492 L CB -1.109 40.916 42.059 -0.056 0.000 0.893 492 L HN 0.434 nan 8.230 nan 0.000 0.437 493 R N -0.469 120.011 120.500 -0.033 0.000 2.113 493 R HA -0.188 4.152 4.340 -0.001 0.000 0.231 493 R C 2.319 178.622 176.300 0.006 0.000 1.129 493 R CA 2.555 58.634 56.100 -0.035 0.000 0.915 493 R CB -1.058 29.223 30.300 -0.032 0.000 0.837 493 R HN 0.493 nan 8.270 nan 0.000 0.430 494 L N 0.459 121.734 121.223 0.086 0.000 2.013 494 L HA -0.221 4.119 4.340 -0.001 0.000 0.212 494 L C 2.801 179.688 176.870 0.028 0.000 1.073 494 L CA 1.700 56.593 54.840 0.088 0.000 0.753 494 L CB -0.802 41.313 42.059 0.094 0.000 0.890 494 L HN 0.519 nan 8.230 nan 0.000 0.432 495 A N 0.065 122.900 122.820 0.025 0.000 1.883 495 A HA -0.307 4.013 4.320 -0.001 0.000 0.217 495 A C 2.017 179.529 177.584 -0.119 0.000 1.186 495 A CA 2.113 54.185 52.037 0.059 0.000 0.624 495 A CB -0.759 18.349 19.000 0.180 0.000 0.822 495 A HN 0.528 nan 8.150 nan 0.000 0.444 496 D N 0.056 120.185 120.400 -0.452 0.000 2.103 496 D HA -0.204 4.436 4.640 -0.001 0.000 0.190 496 D C 1.303 177.320 176.300 -0.471 0.000 0.997 496 D CA 1.845 55.132 54.000 -1.188 0.000 0.833 496 D CB -0.528 39.765 40.800 -0.846 0.000 0.961 496 D HN 0.311 nan 8.370 nan 0.000 0.447 497 D N -0.851 119.439 120.400 -0.182 0.000 2.311 497 D HA -0.119 4.521 4.640 -0.001 0.000 0.212 497 D C 1.935 178.235 176.300 0.001 0.000 0.972 497 D CA 0.219 54.203 54.000 -0.027 0.000 0.887 497 D CB -0.113 40.736 40.800 0.082 0.000 0.915 497 D HN 0.227 nan 8.370 nan 0.000 0.497 498 L N -0.110 121.110 121.223 -0.006 0.000 2.049 498 L HA 0.106 4.446 4.340 -0.001 0.000 0.203 498 L C 2.273 179.184 176.870 0.068 0.000 1.074 498 L CA 1.583 56.450 54.840 0.044 0.000 0.749 498 L CB -0.824 41.276 42.059 0.069 0.000 0.907 498 L HN 0.030 nan 8.230 nan 0.000 0.439 499 G N -2.979 105.879 108.800 0.098 0.000 3.088 499 G HA2 0.030 3.989 3.960 -0.001 0.000 0.212 499 G HA3 0.030 3.989 3.960 -0.001 0.000 0.212 499 G C 0.524 175.539 174.900 0.191 0.000 1.173 499 G CA 0.746 45.958 45.100 0.186 0.000 0.779 499 G HN 0.374 nan 8.290 nan 0.000 0.540 500 T N -0.960 113.651 114.554 0.095 0.000 3.604 500 T HA 0.213 4.562 4.350 -0.001 0.000 0.305 500 T C 1.465 176.208 174.700 0.071 0.000 0.978 500 T CA -0.151 62.013 62.100 0.107 0.000 0.999 500 T CB 0.647 69.575 68.868 0.100 0.000 1.204 500 T HN 0.083 nan 8.240 nan 0.000 0.476 501 S N 1.176 116.913 115.700 0.062 0.000 2.421 501 S HA -0.005 4.464 4.470 -0.001 0.000 0.224 501 S C 2.232 176.865 174.600 0.054 0.000 1.035 501 S CA 1.042 59.273 58.200 0.051 0.000 0.953 501 S CB -0.210 63.015 63.200 0.042 0.000 0.810 501 S HN 0.517 nan 8.310 nan 0.000 0.497 502 V N 2.323 122.276 119.914 0.066 0.000 2.301 502 V HA -0.281 3.839 4.120 -0.001 0.000 0.220 502 V C 2.117 178.246 176.094 0.058 0.000 0.954 502 V CA 2.395 64.733 62.300 0.064 0.000 1.009 502 V CB -1.768 30.100 31.823 0.076 0.000 0.663 502 V HN 0.711 nan 8.190 nan 0.000 0.496 503 E N 1.451 121.691 120.200 0.067 0.000 2.219 503 E HA -0.160 4.190 4.350 -0.001 0.000 0.198 503 E C 1.940 178.567 176.600 0.045 0.000 0.998 503 E CA 2.295 58.728 56.400 0.054 0.000 0.818 503 E CB -0.727 29.012 29.700 0.065 0.000 0.741 503 E HN 0.859 nan 8.360 nan 0.000 0.477 504 E N 1.312 121.548 120.200 0.060 0.000 2.019 504 E HA -0.210 4.140 4.350 -0.001 0.000 0.208 504 E C 2.282 178.890 176.600 0.015 0.000 1.030 504 E CA 2.425 58.853 56.400 0.048 0.000 0.856 504 E CB -1.321 nan 29.700 nan 0.000 0.781 504 E HN 0.237 nan 8.360 nan 0.000 0.471 505 V N 1.348 121.276 119.914 0.022 0.000 2.809 505 V HA -0.101 4.018 4.120 -0.001 0.000 0.256 505 V C 2.522 178.631 176.094 0.025 0.000 1.080 505 V CA 1.844 64.155 62.300 0.018 0.000 1.102 505 V CB -0.313 31.526 31.823 0.027 0.000 0.705 505 V HN 0.643 nan 8.190 nan 0.000 0.475 506 S N 0.374 116.090 115.700 0.027 0.000 2.671 506 S HA 0.040 4.510 4.470 -0.001 0.000 0.220 506 S C 1.492 176.104 174.600 0.019 0.000 0.951 506 S CA 0.120 58.338 58.200 0.029 0.000 0.932 506 S CB -0.222 62.997 63.200 0.032 0.000 0.777 506 S HN 0.608 nan 8.310 nan 0.000 0.508 507 R N 0.610 121.111 120.500 0.003 0.000 2.569 507 R HA 0.281 4.620 4.340 -0.001 0.000 0.422 507 R C 0.131 176.407 176.300 -0.041 0.000 0.980 507 R CA 0.602 56.691 56.100 -0.017 0.000 1.164 507 R CB 0.236 30.514 30.300 -0.036 0.000 1.520 507 R HN 0.549 nan 8.270 nan 0.000 0.567 508 G N 2.008 110.784 108.800 -0.040 0.000 3.251 508 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.680 508 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.680 508 G C -1.355 173.321 174.900 -0.374 0.000 1.129 508 G CA -0.069 44.954 45.100 -0.128 0.000 0.994 508 G HN 0.337 nan 8.290 nan 0.000 0.450 509 D N -0.635 119.521 120.400 -0.406 0.000 2.912 509 D HA 0.400 5.040 4.640 -0.001 0.000 0.263 509 D C 0.269 176.521 176.300 -0.079 0.000 1.152 509 D CA 0.415 54.169 54.000 -0.410 0.000 0.728 509 D CB 1.813 42.516 40.800 -0.163 0.000 1.337 509 D HN 1.254 nan 8.370 nan 0.000 0.435 510 V N 1.112 121.061 119.914 0.059 0.000 3.096 510 V HA 0.559 4.678 4.120 -0.001 0.000 0.306 510 V C -2.294 173.892 176.094 0.152 0.000 1.088 510 V CA -0.691 61.768 62.300 0.266 0.000 1.129 510 V CB 0.793 32.897 31.823 0.468 0.000 1.014 510 V HN 0.435 nan 8.190 nan 0.000 0.486 511 P HA 0.258 nan 4.420 nan 0.000 0.269 511 P C -1.297 175.816 177.300 -0.312 0.000 1.215 511 P CA 0.090 63.145 63.100 -0.074 0.000 0.780 511 P CB 0.198 31.834 31.700 -0.105 0.000 0.898 512 K N 0.794 121.000 120.400 -0.324 0.000 2.318 512 K HA 0.404 4.724 4.320 -0.001 0.000 0.249 512 K C 0.995 177.388 176.600 -0.344 0.000 0.942 512 K CA -0.706 55.275 56.287 -0.511 0.000 0.808 512 K CB 1.347 33.819 32.500 -0.046 0.000 1.189 512 K HN 0.285 nan 8.250 nan 0.000 0.428 513 S N 1.138 116.660 115.700 -0.296 0.000 2.337 513 S HA -0.354 4.115 4.470 -0.001 0.000 0.399 513 S C 1.685 176.337 174.600 0.087 0.000 1.134 513 S CA 2.045 60.271 58.200 0.043 0.000 2.090 513 S CB -0.997 62.308 63.200 0.174 0.000 1.665 513 S HN 0.575 nan 8.310 nan 0.000 0.502 514 L N 2.090 123.354 121.223 0.068 0.000 2.011 514 L HA -0.229 4.111 4.340 -0.001 0.000 0.225 514 L C 2.950 179.887 176.870 0.111 0.000 1.084 514 L CA 2.424 57.313 54.840 0.082 0.000 0.791 514 L CB -0.955 41.136 42.059 0.052 0.000 0.898 514 L HN 0.490 nan 8.230 nan 0.000 0.440 515 Q N -1.117 118.707 119.800 0.040 0.000 1.990 515 Q HA -0.202 4.138 4.340 -0.001 0.000 0.200 515 Q C 2.472 178.491 176.000 0.031 0.000 0.980 515 Q CA 2.258 58.079 55.803 0.029 0.000 0.832 515 Q CB -0.526 28.200 28.738 -0.021 0.000 0.897 515 Q HN 0.603 nan 8.270 nan 0.000 0.427 516 C N 0.417 119.691 119.300 -0.043 0.000 2.391 516 C HA -0.217 4.243 4.460 -0.001 0.000 0.276 516 C C 2.646 177.688 174.990 0.087 0.000 1.217 516 C CA 1.279 60.271 59.018 -0.042 0.000 1.766 516 C CB -1.527 26.142 27.740 -0.119 0.000 2.046 516 C HN 0.673 nan 8.230 nan 0.000 0.475 517 Y N 0.419 120.767 120.300 0.080 0.000 2.184 517 Y HA -0.157 4.393 4.550 -0.001 0.000 0.290 517 Y C 2.520 178.530 175.900 0.183 0.000 1.129 517 Y CA 1.679 59.904 58.100 0.209 0.000 1.144 517 Y CB -0.438 38.171 38.460 0.248 0.000 0.995 517 Y HN 0.198 nan 8.280 nan 0.000 0.513 518 M N -0.719 119.145 119.600 0.439 0.000 2.106 518 M HA -0.294 4.186 4.480 -0.001 0.000 0.259 518 M C 2.465 178.816 176.300 0.085 0.000 1.068 518 M CA 2.032 57.503 55.300 0.285 0.000 1.100 518 M CB -0.397 32.320 32.600 0.196 0.000 1.351 518 M HN 0.277 nan 8.290 nan 0.000 0.404 519 S N -0.352 115.364 115.700 0.026 0.000 2.388 519 S HA -0.112 4.357 4.470 -0.001 0.000 0.223 519 S C 1.234 175.754 174.600 -0.133 0.000 1.034 519 S CA 0.897 59.071 58.200 -0.044 0.000 0.963 519 S CB -0.137 63.029 63.200 -0.055 0.000 0.827 519 S HN 0.360 nan 8.310 nan 0.000 0.481 520 D N 0.542 120.816 120.400 -0.211 0.000 2.120 520 D HA -0.123 4.517 4.640 -0.001 0.000 0.191 520 D C 0.569 176.504 176.300 -0.609 0.000 0.994 520 D CA 1.536 55.248 54.000 -0.479 0.000 0.838 520 D CB -0.174 40.220 40.800 -0.677 0.000 0.976 520 D HN 0.551 nan 8.370 nan 0.000 0.447 521 Y N -0.350 119.711 120.300 -0.398 0.000 2.645 521 Y HA 0.216 4.766 4.550 -0.001 0.000 0.307 521 Y C 0.236 176.003 175.900 -0.222 0.000 1.151 521 Y CA -0.663 57.229 58.100 -0.347 0.000 1.291 521 Y CB -0.822 37.322 38.460 -0.526 0.000 1.135 521 Y HN -0.113 nan 8.280 nan 0.000 0.523 522 N N 1.531 120.197 118.700 -0.057 0.000 2.676 522 N HA -0.212 4.528 4.740 -0.001 0.000 0.290 522 N C -0.625 174.907 175.510 0.037 0.000 1.109 522 N CA 0.696 53.740 53.050 -0.009 0.000 0.779 522 N CB -0.522 37.954 38.487 -0.019 0.000 0.947 522 N HN 0.556 nan 8.380 nan 0.000 0.566 523 A N 1.020 123.892 122.820 0.086 0.000 2.470 523 A HA 0.822 5.142 4.320 -0.001 0.000 0.271 523 A C 0.040 177.711 177.584 0.145 0.000 1.269 523 A CA -0.011 52.109 52.037 0.138 0.000 0.828 523 A CB 0.675 19.832 19.000 0.262 0.000 1.374 523 A HN 0.891 nan 8.150 nan 0.000 0.454 524 S N -1.093 114.691 115.700 0.139 0.000 2.646 524 S HA 0.303 4.772 4.470 -0.001 0.000 0.276 524 S C 0.670 175.340 174.600 0.117 0.000 1.222 524 S CA 0.441 58.704 58.200 0.105 0.000 1.014 524 S CB 1.259 64.504 63.200 0.074 0.000 0.991 524 S HN 0.891 nan 8.310 nan 0.000 0.533 525 E N 1.183 121.435 120.200 0.086 0.000 2.268 525 E HA -0.102 4.248 4.350 -0.001 0.000 0.195 525 E C 1.745 178.372 176.600 0.046 0.000 0.995 525 E CA 0.995 57.438 56.400 0.072 0.000 0.836 525 E CB -0.491 29.245 29.700 0.060 0.000 0.763 525 E HN 0.812 nan 8.360 nan 0.000 0.491 526 A N 1.025 123.872 122.820 0.046 0.000 2.014 526 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 526 A C 1.956 179.550 177.584 0.017 0.000 1.163 526 A CA 1.001 53.058 52.037 0.033 0.000 0.652 526 A CB -0.161 18.861 19.000 0.037 0.000 0.808 526 A HN 0.228 nan 8.150 nan 0.000 0.449 527 E N -0.159 120.058 120.200 0.028 0.000 2.122 527 E HA 0.008 4.358 4.350 -0.001 0.000 0.190 527 E C 2.372 178.853 176.600 -0.198 0.000 0.977 527 E CA 0.939 57.341 56.400 0.003 0.000 0.820 527 E CB -0.381 29.394 29.700 0.125 0.000 0.770 527 E HN 0.539 nan 8.360 nan 0.000 0.462 528 A N 1.802 124.509 122.820 -0.188 0.000 1.877 528 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 528 A C 2.213 179.654 177.584 -0.238 0.000 1.186 528 A CA 1.681 53.463 52.037 -0.425 0.000 0.620 528 A CB -0.543 18.449 19.000 -0.014 0.000 0.822 528 A HN 0.083 nan 8.150 nan 0.000 0.443 529 R N -0.195 120.258 120.500 -0.079 0.000 2.105 529 R HA -0.184 4.155 4.340 -0.001 0.000 0.239 529 R C 2.291 178.586 176.300 -0.009 0.000 1.135 529 R CA 1.963 58.051 56.100 -0.019 0.000 0.967 529 R CB -0.202 30.108 30.300 0.016 0.000 0.861 529 R HN 0.640 nan 8.270 nan 0.000 0.442 530 K N -0.747 119.640 120.400 -0.022 0.000 2.031 530 K HA -0.202 4.117 4.320 -0.001 0.000 0.205 530 K C 2.091 178.725 176.600 0.057 0.000 1.049 530 K CA 1.518 57.820 56.287 0.025 0.000 0.939 530 K CB -0.357 32.154 32.500 0.017 0.000 0.717 530 K HN 0.325 nan 8.250 nan 0.000 0.438 531 H N 0.350 119.333 119.070 -0.146 0.000 2.253 531 H HA -0.133 4.423 4.556 -0.001 0.000 0.296 531 H C 2.033 177.423 175.328 0.104 0.000 1.074 531 H CA 2.221 58.230 56.048 -0.065 0.000 1.263 531 H CB -0.041 29.446 29.762 -0.457 0.000 1.363 531 H HN 0.074 nan 8.280 nan 0.000 0.489 532 V N 1.894 121.741 119.914 -0.112 0.000 2.313 532 V HA -0.328 3.792 4.120 -0.001 0.000 0.253 532 V C 2.631 178.700 176.094 -0.043 0.000 1.070 532 V CA 2.132 64.384 62.300 -0.080 0.000 1.057 532 V CB -0.510 31.315 31.823 0.003 0.000 0.653 532 V HN 0.432 nan 8.190 nan 0.000 0.450 533 K N -1.311 119.106 120.400 0.029 0.000 2.032 533 K HA -0.273 4.046 4.320 -0.001 0.000 0.209 533 K C 1.931 178.593 176.600 0.103 0.000 1.048 533 K CA 2.161 58.501 56.287 0.089 0.000 0.927 533 K CB -0.452 32.127 32.500 0.132 0.000 0.712 533 K HN 0.704 nan 8.250 nan 0.000 0.441 534 W N 2.225 123.486 121.300 -0.065 0.000 2.335 534 W HA -0.184 4.476 4.660 -0.001 0.000 0.311 534 W C 1.706 178.164 176.519 -0.103 0.000 1.213 534 W CA 1.217 58.526 57.345 -0.060 0.000 1.274 534 W CB -0.572 28.839 29.460 -0.081 0.000 1.148 534 W HN -0.053 nan 8.180 nan 0.000 0.498 535 L N 0.514 121.428 121.223 -0.514 0.000 2.043 535 L HA -0.320 4.020 4.340 -0.001 0.000 0.212 535 L C 2.540 179.109 176.870 -0.502 0.000 1.075 535 L CA 1.878 56.281 54.840 -0.730 0.000 0.752 535 L CB -0.909 40.893 42.059 -0.428 0.000 0.891 535 L HN 0.070 nan 8.230 nan 0.000 0.432 536 I N -0.410 120.003 120.570 -0.261 0.000 2.264 536 I HA -0.306 3.864 4.170 -0.001 0.000 0.248 536 I C 2.752 178.796 176.117 -0.122 0.000 1.111 536 I CA 1.279 62.482 61.300 -0.162 0.000 1.382 536 I CB -0.733 37.224 38.000 -0.071 0.000 1.060 536 I HN 0.255 nan 8.210 nan 0.000 0.418 537 A N 0.714 123.477 122.820 -0.096 0.000 1.898 537 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 537 A C 2.230 179.768 177.584 -0.076 0.000 1.181 537 A CA 1.241 53.322 52.037 0.073 0.000 0.620 537 A CB -0.320 18.755 19.000 0.126 0.000 0.819 537 A HN 0.346 nan 8.150 nan 0.000 0.442 538 E N 0.278 120.237 120.200 -0.402 0.000 2.031 538 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 538 E C 2.368 178.732 176.600 -0.394 0.000 0.994 538 E CA 1.817 57.943 56.400 -0.457 0.000 0.800 538 E CB -1.323 27.908 29.700 -0.782 0.000 0.752 538 E HN 0.650 nan 8.360 nan 0.000 0.447 539 V N -1.593 118.066 119.914 -0.425 0.000 2.332 539 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 539 V C 2.157 178.026 176.094 -0.375 0.000 1.055 539 V CA 1.824 63.849 62.300 -0.459 0.000 1.038 539 V CB -1.267 30.354 31.823 -0.337 0.000 0.651 539 V HN 0.197 nan 8.190 nan 0.000 0.450 540 W N 0.930 122.054 121.300 -0.293 0.000 2.342 540 W HA -0.075 4.585 4.660 -0.001 0.000 0.297 540 W C 2.757 179.201 176.519 -0.125 0.000 1.213 540 W CA 2.066 59.298 57.345 -0.188 0.000 1.251 540 W CB -0.009 29.357 29.460 -0.158 0.000 1.136 540 W HN 0.142 nan 8.180 nan 0.000 0.526 541 K N 0.253 120.696 120.400 0.071 0.000 2.026 541 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 541 K C 1.806 178.296 176.600 -0.184 0.000 1.048 541 K CA 1.474 57.753 56.287 -0.014 0.000 0.929 541 K CB -0.439 32.020 32.500 -0.067 0.000 0.713 541 K HN 0.216 nan 8.250 nan 0.000 0.439 542 K N 0.677 120.796 120.400 -0.467 0.000 2.097 542 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 542 K C 2.199 178.403 176.600 -0.661 0.000 1.049 542 K CA 1.431 57.194 56.287 -0.872 0.000 0.933 542 K CB -0.231 31.150 32.500 -1.865 0.000 0.717 542 K HN 0.143 nan 8.250 nan 0.000 0.442 543 M N 1.608 120.979 119.600 -0.381 0.000 2.156 543 M HA -0.126 4.353 4.480 -0.001 0.000 0.264 543 M C 1.535 177.865 176.300 0.049 0.000 1.067 543 M CA 1.670 56.933 55.300 -0.062 0.000 1.131 543 M CB -0.187 32.308 32.600 -0.174 0.000 1.368 543 M HN 0.094 nan 8.290 nan 0.000 0.416 544 N N 0.107 118.879 118.700 0.120 0.000 2.069 544 N HA -0.151 4.588 4.740 -0.001 0.000 0.191 544 N C 1.767 177.327 175.510 0.083 0.000 1.031 544 N CA 1.377 54.537 53.050 0.183 0.000 0.852 544 N CB -0.292 38.319 38.487 0.207 0.000 1.018 544 N HN 0.518 nan 8.380 nan 0.000 0.423 545 A N 0.810 123.644 122.820 0.023 0.000 1.917 545 A HA -0.235 4.085 4.320 -0.001 0.000 0.219 545 A C 2.080 179.699 177.584 0.057 0.000 1.182 545 A CA 1.728 53.774 52.037 0.015 0.000 0.633 545 A CB -0.485 18.491 19.000 -0.040 0.000 0.819 545 A HN 0.312 nan 8.150 nan 0.000 0.448 546 E N 0.048 120.307 120.200 0.098 0.000 2.112 546 E HA -0.129 4.220 4.350 -0.001 0.000 0.190 546 E C 2.174 178.862 176.600 0.146 0.000 0.979 546 E CA 1.175 57.687 56.400 0.186 0.000 0.814 546 E CB -0.190 29.732 29.700 0.370 0.000 0.762 546 E HN 0.715 nan 8.360 nan 0.000 0.460 547 R N -0.002 120.565 120.500 0.111 0.000 2.120 547 R HA -0.098 4.241 4.340 -0.001 0.000 0.234 547 R C 1.939 178.273 176.300 0.057 0.000 1.123 547 R CA 1.655 57.801 56.100 0.076 0.000 0.975 547 R CB -0.745 29.598 30.300 0.072 0.000 0.866 547 R HN 0.191 nan 8.270 nan 0.000 0.446 548 V N -1.011 118.933 119.914 0.051 0.000 3.506 548 V HA 0.032 4.152 4.120 -0.001 0.000 0.263 548 V C 1.172 177.276 176.094 0.017 0.000 1.203 548 V CA 0.014 62.324 62.300 0.015 0.000 1.133 548 V CB -0.122 31.701 31.823 0.000 0.000 0.802 548 V HN 0.286 nan 8.190 nan 0.000 0.459 549 S N 1.823 117.551 115.700 0.046 0.000 2.571 549 S HA -0.090 4.380 4.470 -0.001 0.000 0.298 549 S C 1.357 175.970 174.600 0.021 0.000 1.280 549 S CA 0.532 58.759 58.200 0.044 0.000 1.052 549 S CB 0.525 63.772 63.200 0.077 0.000 0.799 549 S HN 0.649 nan 8.310 nan 0.000 0.501 550 K N 2.763 123.169 120.400 0.009 0.000 2.242 550 K HA 0.003 4.322 4.320 -0.001 0.000 0.200 550 K C 0.651 177.245 176.600 -0.010 0.000 1.050 550 K CA 1.238 57.522 56.287 -0.006 0.000 0.981 550 K CB -0.351 32.145 32.500 -0.007 0.000 0.795 550 K HN 0.765 nan 8.250 nan 0.000 0.477 551 D N 1.379 121.777 120.400 -0.003 0.000 2.363 551 D HA -0.045 4.594 4.640 -0.001 0.000 0.220 551 D C 0.188 176.464 176.300 -0.041 0.000 0.994 551 D CA 0.182 54.172 54.000 -0.017 0.000 0.890 551 D CB 0.228 41.024 40.800 -0.006 0.000 0.906 551 D HN 0.031 nan 8.370 nan 0.000 0.530 552 S N 1.714 117.398 115.700 -0.027 0.000 2.558 552 S HA 0.021 4.491 4.470 -0.001 0.000 0.293 552 S C -1.324 173.160 174.600 -0.194 0.000 1.292 552 S CA -0.907 57.242 58.200 -0.084 0.000 1.063 552 S CB 1.214 64.421 63.200 0.012 0.000 0.831 552 S HN 0.079 nan 8.310 nan 0.000 0.499 553 P HA 0.199 nan 4.420 nan 0.000 0.252 553 P C -0.310 176.798 177.300 -0.322 0.000 1.218 553 P CA 0.121 62.957 63.100 -0.440 0.000 0.807 553 P CB 0.152 31.498 31.700 -0.590 0.000 1.072 554 F N 1.130 121.057 119.950 -0.038 0.000 2.382 554 F HA 0.518 5.044 4.527 -0.001 0.000 0.331 554 F C 1.755 177.610 175.800 0.091 0.000 1.121 554 F CA -0.954 57.081 58.000 0.059 0.000 1.183 554 F CB -0.278 38.846 39.000 0.207 0.000 1.207 554 F HN -0.176 nan 8.300 nan 0.000 0.555 555 G N 0.939 109.934 108.800 0.325 0.000 2.539 555 G HA2 0.232 4.192 3.960 -0.001 0.000 0.258 555 G HA3 0.232 4.192 3.960 -0.001 0.000 0.258 555 G C 0.801 175.807 174.900 0.176 0.000 1.202 555 G CA -0.538 44.676 45.100 0.189 0.000 0.851 555 G HN 0.783 nan 8.290 nan 0.000 0.556 556 K N -0.022 120.441 120.400 0.104 0.000 2.089 556 K HA -0.193 4.127 4.320 -0.001 0.000 0.210 556 K C 1.632 178.269 176.600 0.063 0.000 1.048 556 K CA 2.381 58.708 56.287 0.067 0.000 0.926 556 K CB -0.128 32.396 32.500 0.039 0.000 0.714 556 K HN 0.435 nan 8.250 nan 0.000 0.448 557 D N -0.403 120.055 120.400 0.096 0.000 2.097 557 D HA -0.162 4.478 4.640 -0.001 0.000 0.195 557 D C 1.713 178.061 176.300 0.080 0.000 0.989 557 D CA 1.253 55.319 54.000 0.109 0.000 0.827 557 D CB -0.311 40.619 40.800 0.217 0.000 0.966 557 D HN 0.268 nan 8.370 nan 0.000 0.456 558 F N 2.007 121.929 119.950 -0.047 0.000 2.060 558 F HA -0.160 4.366 4.527 -0.001 0.000 0.295 558 F C 2.219 177.934 175.800 -0.141 0.000 1.120 558 F CA 1.107 59.037 58.000 -0.117 0.000 1.205 558 F CB -0.720 38.215 39.000 -0.109 0.000 0.986 558 F HN -0.070 nan 8.300 nan 0.000 0.470 559 I N 0.535 120.967 120.570 -0.230 0.000 2.530 559 I HA -0.055 4.115 4.170 -0.001 0.000 0.257 559 I C 2.089 178.026 176.117 -0.300 0.000 1.179 559 I CA 2.007 63.105 61.300 -0.337 0.000 1.440 559 I CB -1.365 36.628 38.000 -0.012 0.000 1.087 559 I HN 0.157 nan 8.210 nan 0.000 0.440 560 G N -0.282 108.399 108.800 -0.198 0.000 2.448 560 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.218 560 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.218 560 G C 1.389 176.173 174.900 -0.194 0.000 1.135 560 G CA 0.841 45.854 45.100 -0.144 0.000 0.784 560 G HN 0.575 nan 8.290 nan 0.000 0.543 561 C N 0.594 119.726 119.300 -0.279 0.000 2.533 561 C HA 0.442 4.902 4.460 -0.001 0.000 0.272 561 C C 3.345 178.116 174.990 -0.365 0.000 1.371 561 C CA 0.170 59.024 59.018 -0.273 0.000 1.758 561 C CB -0.470 27.129 27.740 -0.234 0.000 1.972 561 C HN 0.536 nan 8.230 nan 0.000 0.522 562 A N 0.989 123.486 122.820 -0.539 0.000 1.873 562 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 562 A C 2.246 179.615 177.584 -0.358 0.000 1.186 562 A CA 2.081 53.806 52.037 -0.519 0.000 0.616 562 A CB -0.669 17.945 19.000 -0.644 0.000 0.823 562 A HN 0.339 nan 8.150 nan 0.000 0.442 563 V N 0.552 120.286 119.914 -0.299 0.000 2.307 563 V HA -0.205 3.915 4.120 -0.001 0.000 0.245 563 V C 2.102 178.080 176.094 -0.195 0.000 1.045 563 V CA 2.129 64.272 62.300 -0.262 0.000 1.024 563 V CB -0.810 30.942 31.823 -0.119 0.000 0.651 563 V HN 0.477 nan 8.190 nan 0.000 0.449 564 D N 0.020 120.329 120.400 -0.151 0.000 2.218 564 D HA -0.139 4.501 4.640 -0.001 0.000 0.204 564 D C 2.000 178.236 176.300 -0.106 0.000 0.976 564 D CA 1.092 55.026 54.000 -0.111 0.000 0.853 564 D CB -0.071 40.657 40.800 -0.120 0.000 0.939 564 D HN 0.371 nan 8.370 nan 0.000 0.481 565 L N 0.756 121.896 121.223 -0.138 0.000 2.083 565 L HA -0.006 4.333 4.340 -0.001 0.000 0.209 565 L C 2.142 178.986 176.870 -0.043 0.000 1.083 565 L CA 2.026 56.816 54.840 -0.084 0.000 0.752 565 L CB -0.801 41.164 42.059 -0.156 0.000 0.899 565 L HN -0.009 nan 8.230 nan 0.000 0.433 566 G N -0.626 108.085 108.800 -0.148 0.000 2.404 566 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.215 566 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.215 566 G C 1.701 176.591 174.900 -0.018 0.000 1.174 566 G CA 0.712 45.702 45.100 -0.183 0.000 0.780 566 G HN 0.417 nan 8.290 nan 0.000 0.537 567 R N -0.835 119.685 120.500 0.033 0.000 2.120 567 R HA 0.061 4.401 4.340 -0.001 0.000 0.234 567 R C 2.445 178.740 176.300 -0.009 0.000 1.123 567 R CA 1.347 57.497 56.100 0.084 0.000 0.975 567 R CB -0.332 30.008 30.300 0.067 0.000 0.866 567 R HN 0.367 nan 8.270 nan 0.000 0.446 568 M N 0.688 120.262 119.600 -0.043 0.000 2.132 568 M HA -0.039 4.441 4.480 -0.001 0.000 0.263 568 M C 2.178 178.372 176.300 -0.177 0.000 1.065 568 M CA 1.693 56.896 55.300 -0.163 0.000 1.122 568 M CB -0.143 32.371 32.600 -0.142 0.000 1.365 568 M HN 0.152 nan 8.290 nan 0.000 0.411 569 A N -0.433 122.471 122.820 0.140 0.000 1.933 569 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 569 A C 2.018 179.737 177.584 0.224 0.000 1.175 569 A CA 1.752 53.997 52.037 0.345 0.000 0.628 569 A CB -0.853 18.431 19.000 0.473 0.000 0.814 569 A HN 0.711 nan 8.150 nan 0.000 0.444 570 Q N -0.956 118.923 119.800 0.131 0.000 2.437 570 Q HA -0.038 4.301 4.340 -0.001 0.000 0.210 570 Q C 1.918 177.956 176.000 0.064 0.000 0.972 570 Q CA 1.075 56.956 55.803 0.130 0.000 0.903 570 Q CB -0.191 28.611 28.738 0.107 0.000 0.967 570 Q HN 0.807 nan 8.270 nan 0.000 0.486 571 L N -0.807 120.384 121.223 -0.053 0.000 2.187 571 L HA -0.057 4.283 4.340 -0.001 0.000 0.197 571 L C 2.107 178.907 176.870 -0.118 0.000 1.090 571 L CA 0.291 55.069 54.840 -0.105 0.000 0.781 571 L CB -0.078 41.871 42.059 -0.184 0.000 0.956 571 L HN 0.110 nan 8.230 nan 0.000 0.463 572 M N 0.107 119.502 119.600 -0.343 0.000 2.151 572 M HA -0.285 4.195 4.480 -0.001 0.000 0.256 572 M C 1.947 178.027 176.300 -0.368 0.000 1.072 572 M CA 2.041 57.040 55.300 -0.502 0.000 1.090 572 M CB -1.577 30.403 32.600 -1.033 0.000 1.294 572 M HN 0.311 nan 8.290 nan 0.000 0.415 573 Y N -1.662 118.691 120.300 0.088 0.000 2.495 573 Y HA 0.015 4.565 4.550 -0.001 0.000 0.293 573 Y C 1.891 177.860 175.900 0.115 0.000 1.186 573 Y CA 0.042 58.218 58.100 0.127 0.000 1.266 573 Y CB -1.338 37.217 38.460 0.158 0.000 1.101 573 Y HN 0.364 nan 8.280 nan 0.000 0.517 574 H N 0.431 119.544 119.070 0.071 0.000 2.556 574 H HA 0.020 4.575 4.556 -0.001 0.000 0.268 574 H C 0.464 175.790 175.328 -0.003 0.000 0.996 574 H CA 1.170 57.245 56.048 0.045 0.000 1.157 574 H CB 0.115 29.879 29.762 0.003 0.000 1.355 574 H HN 0.509 nan 8.280 nan 0.000 0.597 575 N N -3.222 115.422 118.700 -0.094 0.000 2.216 575 N HA 0.163 4.903 4.740 -0.001 0.000 0.282 575 N C 0.962 176.481 175.510 0.015 0.000 0.914 575 N CA 0.333 53.249 53.050 -0.224 0.000 0.805 575 N CB 0.482 38.593 38.487 -0.626 0.000 1.883 575 N HN 0.171 nan 8.380 nan 0.000 0.871 576 G N -0.522 108.352 108.800 0.123 0.000 3.310 576 G HA2 0.254 4.213 3.960 -0.001 0.000 0.174 576 G HA3 0.254 4.213 3.960 -0.001 0.000 0.174 576 G C -0.674 174.432 174.900 0.343 0.000 1.097 576 G CA 0.343 45.653 45.100 0.349 0.000 0.795 576 G HN 0.055 nan 8.290 nan 0.000 0.670 577 D N -1.480 119.120 120.400 0.334 0.000 2.463 577 D HA 0.187 4.827 4.640 -0.001 0.000 0.237 577 D C 1.949 178.379 176.300 0.216 0.000 1.013 577 D CA 1.596 55.828 54.000 0.387 0.000 0.910 577 D CB 0.128 41.168 40.800 0.401 0.000 1.080 577 D HN 1.058 nan 8.370 nan 0.000 0.498 578 G N 0.090 109.012 108.800 0.204 0.000 2.196 578 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.268 578 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.268 578 G C 0.839 175.870 174.900 0.218 0.000 0.975 578 G CA 1.284 46.477 45.100 0.155 0.000 0.648 578 G HN 0.513 nan 8.290 nan 0.000 0.538 579 H N -1.288 117.905 119.070 0.206 0.000 5.120 579 H HA 0.293 4.848 4.556 -0.001 0.000 0.090 579 H C 2.591 178.013 175.328 0.158 0.000 1.292 579 H CA 0.819 56.983 56.048 0.194 0.000 0.528 579 H CB -0.216 29.682 29.762 0.227 0.000 1.593 579 H HN 0.310 nan 8.280 nan 0.000 0.138 580 G N 0.131 109.168 108.800 0.394 0.000 2.884 580 G HA2 -0.424 3.535 3.960 -0.001 0.000 0.262 580 G HA3 -0.424 3.535 3.960 -0.001 0.000 0.262 580 G C 1.436 176.539 174.900 0.339 0.000 1.107 580 G CA 3.623 48.939 45.100 0.360 0.000 0.739 580 G HN 0.603 nan 8.290 nan 0.000 0.663 581 T N -4.022 110.695 114.554 0.271 0.000 2.964 581 T HA 0.451 4.801 4.350 -0.001 0.000 0.249 581 T C 0.720 175.506 174.700 0.144 0.000 1.000 581 T CA 0.916 63.133 62.100 0.196 0.000 0.992 581 T CB 0.772 69.736 68.868 0.159 0.000 1.087 581 T HN 0.614 nan 8.240 nan 0.000 0.489 582 Q N -0.041 119.864 119.800 0.176 0.000 0.383 582 Q HA -0.130 4.210 4.340 -0.001 0.000 0.249 582 Q C -1.399 174.716 176.000 0.192 0.000 1.090 582 Q CA -0.043 55.863 55.803 0.171 0.000 0.327 582 Q CB -0.869 27.941 28.738 0.120 0.000 5.489 582 Q HN 0.661 nan 8.270 nan 0.000 0.294 583 H N 0.692 119.834 119.070 0.120 0.000 3.235 583 H HA 0.174 4.729 4.556 -0.001 0.000 0.324 583 H C -2.198 173.198 175.328 0.113 0.000 1.059 583 H CA -0.882 55.230 56.048 0.106 0.000 1.497 583 H CB 1.477 31.296 29.762 0.096 0.000 1.986 583 H HN 0.230 nan 8.280 nan 0.000 0.444 584 P HA -0.310 nan 4.420 nan 0.000 0.218 584 P C 1.736 179.185 177.300 0.249 0.000 1.018 584 P CA 1.733 64.939 63.100 0.177 0.000 1.016 584 P CB 0.309 32.052 31.700 0.071 0.000 0.748 585 I N -1.708 119.051 120.570 0.315 0.000 2.181 585 I HA -0.230 3.939 4.170 -0.001 0.000 0.247 585 I C 2.651 178.849 176.117 0.136 0.000 1.081 585 I CA 1.070 62.469 61.300 0.166 0.000 1.340 585 I CB -2.151 35.896 38.000 0.079 0.000 1.036 585 I HN -0.053 nan 8.210 nan 0.000 0.417 586 I N 0.311 120.982 120.570 0.168 0.000 2.163 586 I HA -0.274 3.896 4.170 -0.001 0.000 0.240 586 I C 2.771 178.966 176.117 0.130 0.000 1.081 586 I CA 1.622 62.988 61.300 0.110 0.000 1.353 586 I CB -0.835 37.234 38.000 0.115 0.000 1.054 586 I HN 0.330 nan 8.210 nan 0.000 0.407 587 H N -0.187 118.940 119.070 0.095 0.000 2.321 587 H HA -0.304 4.252 4.556 -0.001 0.000 0.295 587 H C 2.301 177.686 175.328 0.094 0.000 1.102 587 H CA 2.092 58.216 56.048 0.128 0.000 1.266 587 H CB 0.166 29.982 29.762 0.090 0.000 1.363 587 H HN 0.359 nan 8.280 nan 0.000 0.492 588 Q N 0.181 120.140 119.800 0.266 0.000 2.020 588 Q HA -0.192 4.147 4.340 -0.001 0.000 0.202 588 Q C 2.576 178.622 176.000 0.077 0.000 0.982 588 Q CA 1.879 57.776 55.803 0.156 0.000 0.838 588 Q CB -0.061 28.721 28.738 0.073 0.000 0.899 588 Q HN 0.557 nan 8.270 nan 0.000 0.423 589 Q N -0.398 119.416 119.800 0.023 0.000 2.173 589 Q HA -0.225 4.114 4.340 -0.001 0.000 0.208 589 Q C 1.927 177.787 176.000 -0.233 0.000 0.989 589 Q CA 1.691 57.468 55.803 -0.043 0.000 0.872 589 Q CB -0.042 28.700 28.738 0.005 0.000 0.909 589 Q HN 0.414 nan 8.270 nan 0.000 0.420 590 M N -1.098 118.242 119.600 -0.432 0.000 2.098 590 M HA -0.139 4.340 4.480 -0.001 0.000 0.262 590 M C 2.095 178.113 176.300 -0.470 0.000 1.072 590 M CA 1.670 56.464 55.300 -0.845 0.000 1.133 590 M CB -0.012 32.094 32.600 -0.824 0.000 1.344 590 M HN 0.212 nan 8.290 nan 0.000 0.414 591 T N -0.446 114.083 114.554 -0.041 0.000 2.720 591 T HA -0.217 4.132 4.350 -0.001 0.000 0.268 591 T C 1.689 176.443 174.700 0.091 0.000 1.037 591 T CA 1.650 63.870 62.100 0.200 0.000 1.144 591 T CB -0.495 68.631 68.868 0.431 0.000 0.864 591 T HN 0.363 nan 8.240 nan 0.000 0.444 592 R N 0.483 121.007 120.500 0.040 0.000 2.148 592 R HA -0.000 4.339 4.340 -0.001 0.000 0.223 592 R C 2.401 178.697 176.300 -0.007 0.000 1.088 592 R CA 1.513 57.638 56.100 0.041 0.000 0.985 592 R CB -0.385 29.937 30.300 0.036 0.000 0.880 592 R HN 0.297 nan 8.270 nan 0.000 0.451 593 T N -1.086 113.427 114.554 -0.068 0.000 3.014 593 T HA 0.242 4.591 4.350 -0.001 0.000 0.250 593 T C 1.263 175.965 174.700 0.003 0.000 1.060 593 T CA 0.135 62.229 62.100 -0.009 0.000 1.040 593 T CB 0.219 69.142 68.868 0.092 0.000 0.971 593 T HN 0.169 nan 8.240 nan 0.000 0.497 594 L N -1.034 120.054 121.223 -0.225 0.000 2.467 594 L HA 0.332 4.672 4.340 -0.001 0.000 0.213 594 L C 1.402 178.094 176.870 -0.298 0.000 1.053 594 L CA 0.424 55.029 54.840 -0.392 0.000 0.847 594 L CB 0.175 41.603 42.059 -1.051 0.000 1.075 594 L HN 0.229 nan 8.230 nan 0.000 0.479 595 F N -0.610 119.395 119.950 0.092 0.000 2.553 595 F HA 0.198 4.724 4.527 -0.001 0.000 0.282 595 F C 1.019 176.914 175.800 0.158 0.000 1.089 595 F CA -0.616 57.483 58.000 0.165 0.000 1.411 595 F CB -0.053 39.160 39.000 0.354 0.000 1.125 595 F HN -0.155 nan 8.300 nan 0.000 0.610 596 E N 3.405 123.777 120.200 0.287 0.000 2.249 596 E HA 0.231 4.581 4.350 -0.001 0.000 0.280 596 E C -2.382 174.319 176.600 0.168 0.000 1.016 596 E CA -1.887 54.644 56.400 0.219 0.000 0.830 596 E CB 1.041 30.856 29.700 0.191 0.000 1.081 596 E HN -0.047 nan 8.360 nan 0.000 0.395 597 P HA 0.189 nan 4.420 nan 0.000 0.280 597 P C -0.950 176.499 177.300 0.248 0.000 1.272 597 P CA -0.418 62.786 63.100 0.175 0.000 0.819 597 P CB 0.843 32.683 31.700 0.233 0.000 1.122 598 F N -0.020 119.934 119.950 0.006 0.000 2.411 598 F HA 0.577 5.103 4.527 -0.001 0.000 0.324 598 F C 0.622 176.453 175.800 0.052 0.000 1.086 598 F CA -0.740 57.270 58.000 0.018 0.000 1.028 598 F CB 1.490 40.480 39.000 -0.016 0.000 1.284 598 F HN 0.381 nan 8.300 nan 0.000 0.501 599 A N 0.000 122.514 122.820 -0.509 0.000 2.254 599 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 599 A CA 0.000 51.833 52.037 -0.340 0.000 0.836 599 A CB 0.000 18.799 19.000 -0.334 0.000 0.831 599 A HN 0.000 nan 8.150 nan 0.000 0.486