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 2zcy_1_N DATA FIRST_RESID 1 DATA SEQUENCE TSIMAVTFKK GVILGADLRT TTGAYIANRV TDKLTRVHDK IWCCRSGSAA DATA SEQUENCE DTQAIADIVQ YHLELYTSQY XGTPSTETAA SVFKELCYEN KDXNLTAGII DATA SEQUENCE VAGYDNKGEV YTIPLGGSVH KLPYAIAGSG STFIYGYCDK NFRENMSKEE DATA SEQUENCE TVDFIKHSLS QAIKWDGSSG GVIRMVVLTA AXGVERL 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.732 174.700 0.053 0.000 1.109 1 T CA 0.000 62.128 62.100 0.046 0.000 1.349 1 T CB 0.000 68.892 68.868 0.040 0.000 0.612 2 S N 3.053 118.779 115.700 0.043 0.000 2.659 2 S HA 0.787 5.257 4.470 -0.000 0.000 0.312 2 S C -0.352 174.262 174.600 0.023 0.000 1.114 2 S CA -0.811 57.414 58.200 0.041 0.000 1.063 2 S CB 0.416 63.643 63.200 0.046 0.000 0.996 2 S HN 0.726 nan 8.310 nan 0.000 0.478 3 I N 1.062 121.644 120.570 0.019 0.000 2.686 3 I HA 0.821 4.991 4.170 -0.000 0.000 0.295 3 I C -0.811 175.312 176.117 0.011 0.000 1.114 3 I CA -1.156 60.155 61.300 0.018 0.000 1.038 3 I CB 2.083 40.098 38.000 0.025 0.000 1.238 3 I HN 0.709 nan 8.210 nan 0.000 0.420 4 M N 3.989 123.600 119.600 0.019 0.000 2.578 4 M HA 0.947 5.427 4.480 -0.000 0.000 0.276 4 M C -1.998 174.343 176.300 0.068 0.000 1.245 4 M CA -0.670 54.652 55.300 0.036 0.000 0.871 4 M CB 2.512 35.127 32.600 0.026 0.000 1.722 4 M HN 0.812 nan 8.290 nan 0.000 0.473 5 A N 1.756 124.639 122.820 0.104 0.000 2.408 5 A HA 0.764 5.084 4.320 -0.000 0.000 0.295 5 A C -1.455 176.252 177.584 0.206 0.000 1.040 5 A CA -0.676 51.440 52.037 0.131 0.000 0.707 5 A CB 1.750 20.811 19.000 0.102 0.000 1.235 5 A HN 0.725 nan 8.150 nan 0.000 0.418 6 V N 2.094 122.163 119.914 0.259 0.000 2.487 6 V HA 0.644 4.764 4.120 -0.000 0.000 0.298 6 V C 0.467 176.793 176.094 0.387 0.000 1.028 6 V CA -0.333 62.184 62.300 0.361 0.000 0.860 6 V CB 1.794 33.898 31.823 0.468 0.000 0.991 6 V HN 1.045 nan 8.190 nan 0.000 0.427 7 T N 2.555 117.333 114.554 0.374 0.000 2.806 7 T HA 0.768 5.118 4.350 -0.000 0.000 0.290 7 T C -0.586 174.357 174.700 0.404 0.000 0.966 7 T CA -0.331 61.960 62.100 0.320 0.000 1.060 7 T CB 0.849 69.832 68.868 0.192 0.000 0.927 7 T HN 0.656 nan 8.240 nan 0.000 0.485 8 F N -0.165 119.865 119.950 0.133 0.000 2.814 8 F HA 0.640 5.167 4.527 -0.000 0.000 0.353 8 F C 0.136 175.969 175.800 0.055 0.000 1.177 8 F CA -1.973 56.070 58.000 0.071 0.000 1.036 8 F CB 1.269 40.296 39.000 0.046 0.000 1.455 8 F HN 0.595 nan 8.300 nan 0.000 0.520 9 K N 2.358 122.736 120.400 -0.035 0.000 2.264 9 K HA -0.125 4.195 4.320 -0.000 0.000 0.262 9 K C 0.759 177.153 176.600 -0.343 0.000 1.247 9 K CA 0.068 56.281 56.287 -0.123 0.000 1.248 9 K CB 0.153 32.688 32.500 0.059 0.000 0.825 9 K HN 0.673 nan 8.250 nan 0.000 0.468 10 K N 3.635 123.955 120.400 -0.133 0.000 3.032 10 K HA -0.142 4.178 4.320 -0.000 0.000 0.233 10 K C 0.236 176.785 176.600 -0.086 0.000 0.779 10 K CA 0.902 57.142 56.287 -0.078 0.000 0.962 10 K CB -0.625 31.846 32.500 -0.048 0.000 0.823 10 K HN 0.796 nan 8.250 nan 0.000 0.444 11 G N -0.938 107.264 108.800 -0.996 0.000 3.267 11 G HA2 0.388 4.348 3.960 -0.000 0.000 0.200 11 G HA3 0.388 4.348 3.960 -0.000 0.000 0.200 11 G C -0.792 173.971 174.900 -0.227 0.000 1.603 11 G CA -0.018 44.887 45.100 -0.324 0.000 0.753 11 G HN 0.180 nan 8.290 nan 0.000 0.755 12 V N -0.106 119.887 119.914 0.132 0.000 3.077 12 V HA 0.630 4.750 4.120 -0.000 0.000 0.299 12 V C -1.742 174.574 176.094 0.369 0.000 1.276 12 V CA -0.776 61.724 62.300 0.334 0.000 0.993 12 V CB 2.083 34.038 31.823 0.221 0.000 1.076 12 V HN 0.492 nan 8.190 nan 0.000 0.434 13 I N 5.612 126.368 120.570 0.310 0.000 2.498 13 I HA 0.508 4.678 4.170 -0.000 0.000 0.290 13 I C -1.315 174.863 176.117 0.101 0.000 1.032 13 I CA -0.782 60.604 61.300 0.144 0.000 1.073 13 I CB 1.967 40.002 38.000 0.058 0.000 1.251 13 I HN 0.363 nan 8.210 nan 0.000 0.426 14 L N 4.864 126.109 121.223 0.035 0.000 2.317 14 L HA 0.823 5.163 4.340 -0.000 0.000 0.281 14 L C 0.394 177.274 176.870 0.017 0.000 1.024 14 L CA -0.025 54.842 54.840 0.044 0.000 0.810 14 L CB 1.713 43.802 42.059 0.051 0.000 1.240 14 L HN 0.682 nan 8.230 nan 0.000 0.427 15 G N 0.907 109.723 108.800 0.026 0.000 2.612 15 G HA2 0.898 4.858 3.960 -0.000 0.000 0.298 15 G HA3 0.898 4.858 3.960 -0.000 0.000 0.298 15 G C -1.813 173.095 174.900 0.013 0.000 1.336 15 G CA -0.236 44.867 45.100 0.006 0.000 0.953 15 G HN 0.851 nan 8.290 nan 0.000 0.482 16 A N 1.035 123.860 122.820 0.007 0.000 2.608 16 A HA 0.700 5.020 4.320 -0.000 0.000 0.292 16 A C -1.237 176.348 177.584 0.003 0.000 1.066 16 A CA -0.687 51.358 52.037 0.013 0.000 0.676 16 A CB 1.472 20.493 19.000 0.034 0.000 1.277 16 A HN 0.916 nan 8.150 nan 0.000 0.413 17 D N 0.568 120.970 120.400 0.004 0.000 2.255 17 D HA 0.620 5.260 4.640 -0.000 0.000 0.249 17 D C 0.874 177.174 176.300 0.001 0.000 1.078 17 D CA 0.233 54.229 54.000 -0.006 0.000 0.896 17 D CB 1.639 42.435 40.800 -0.005 0.000 1.194 17 D HN 0.880 nan 8.370 nan 0.000 0.429 18 L N -0.246 120.908 121.223 -0.115 0.000 2.155 18 L HA -0.176 4.164 4.340 -0.000 0.000 0.495 18 L C 0.445 177.294 176.870 -0.034 0.000 1.263 18 L CA 0.641 55.406 54.840 -0.125 0.000 3.265 18 L CB -1.057 40.779 42.059 -0.372 0.000 1.006 18 L HN 0.864 nan 8.230 nan 0.000 0.808 19 R N 0.570 121.062 120.500 -0.015 0.000 8.289 19 R HA 0.150 4.490 4.340 -0.000 0.000 0.251 19 R C -1.151 175.139 176.300 -0.017 0.000 0.811 19 R CA 0.621 56.704 56.100 -0.027 0.000 2.032 19 R CB -0.276 30.005 30.300 -0.031 0.000 1.143 19 R HN 0.436 nan 8.270 nan 0.000 0.986 20 T N 1.068 115.604 114.554 -0.030 0.000 2.829 20 T HA 0.785 5.135 4.350 -0.000 0.000 0.280 20 T C -0.036 174.644 174.700 -0.033 0.000 0.999 20 T CA -0.017 62.075 62.100 -0.014 0.000 0.983 20 T CB 1.930 70.796 68.868 -0.003 0.000 0.968 20 T HN 0.653 nan 8.240 nan 0.000 0.446 21 T N -1.052 113.499 114.554 -0.005 0.000 2.901 21 T HA 0.788 5.138 4.350 -0.000 0.000 0.293 21 T C -0.530 174.197 174.700 0.046 0.000 1.084 21 T CA -0.987 61.115 62.100 0.004 0.000 1.008 21 T CB 1.701 70.575 68.868 0.010 0.000 1.170 21 T HN 0.940 nan 8.240 nan 0.000 0.509 22 T N -1.078 113.525 114.554 0.083 0.000 3.103 22 T HA 0.671 5.021 4.350 -0.000 0.000 0.352 22 T C 0.808 175.575 174.700 0.110 0.000 1.048 22 T CA -0.140 62.020 62.100 0.100 0.000 1.175 22 T CB 0.362 69.311 68.868 0.135 0.000 1.029 22 T HN 1.870 nan 8.240 nan 0.000 0.498 23 G N 2.780 111.627 108.800 0.078 0.000 2.514 23 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.265 23 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.265 23 G C 0.963 175.911 174.900 0.080 0.000 1.150 23 G CA 0.040 45.184 45.100 0.074 0.000 0.959 23 G HN 1.683 nan 8.290 nan 0.000 0.556 24 A N -0.972 121.903 122.820 0.093 0.000 2.275 24 A HA 0.560 4.880 4.320 -0.000 0.000 0.212 24 A C 0.707 178.366 177.584 0.124 0.000 1.201 24 A CA 1.210 53.299 52.037 0.086 0.000 0.843 24 A CB -0.058 18.986 19.000 0.074 0.000 0.873 24 A HN 1.455 nan 8.150 nan 0.000 0.492 25 Y N 0.395 120.702 120.300 0.012 0.000 2.316 25 Y HA 0.500 5.050 4.550 -0.000 0.000 0.331 25 Y C -0.100 175.806 175.900 0.011 0.000 1.083 25 Y CA -1.313 56.792 58.100 0.009 0.000 1.206 25 Y CB 0.426 38.891 38.460 0.009 0.000 1.195 25 Y HN 0.133 nan 8.280 nan 0.000 0.497 26 I N 7.529 127.709 120.570 -0.651 0.000 2.278 26 I HA 0.165 4.335 4.170 -0.000 0.000 0.296 26 I C 1.114 176.757 176.117 -0.790 0.000 1.121 26 I CA 0.066 61.058 61.300 -0.513 0.000 1.267 26 I CB 0.714 38.516 38.000 -0.331 0.000 1.447 26 I HN 0.904 nan 8.210 nan 0.000 0.509 27 A N 5.276 127.852 122.820 -0.407 0.000 1.972 27 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 27 A C 0.997 178.509 177.584 -0.121 0.000 1.169 27 A CA 1.410 53.343 52.037 -0.172 0.000 0.635 27 A CB -0.173 18.843 19.000 0.027 0.000 0.810 27 A HN 0.687 nan 8.150 nan 0.000 0.446 28 N N -1.650 116.974 118.700 -0.127 0.000 2.406 28 N HA 0.211 4.951 4.740 -0.000 0.000 0.283 28 N C 0.149 175.609 175.510 -0.082 0.000 1.074 28 N CA -0.390 52.616 53.050 -0.075 0.000 0.916 28 N CB 1.244 39.715 38.487 -0.027 0.000 1.639 28 N HN 0.300 nan 8.380 nan 0.000 0.485 29 R N 1.073 121.530 120.500 -0.072 0.000 2.365 29 R HA 0.214 4.554 4.340 -0.000 0.000 0.223 29 R C 0.393 176.671 176.300 -0.037 0.000 0.899 29 R CA 0.348 56.411 56.100 -0.063 0.000 1.059 29 R CB -0.061 30.196 30.300 -0.071 0.000 1.086 29 R HN 0.192 nan 8.270 nan 0.000 0.522 30 V N -1.335 118.564 119.914 -0.024 0.000 2.915 30 V HA 0.305 4.425 4.120 -0.000 0.000 0.364 30 V C -0.079 176.016 176.094 0.002 0.000 1.354 30 V CA -0.695 61.599 62.300 -0.010 0.000 1.213 30 V CB 0.220 32.039 31.823 -0.006 0.000 1.268 30 V HN 0.001 nan 8.190 nan 0.000 0.557 31 T N 2.214 116.768 114.554 0.001 0.000 2.932 31 T HA 0.161 4.511 4.350 -0.000 0.000 0.312 31 T C -0.154 174.563 174.700 0.029 0.000 1.071 31 T CA 0.904 63.013 62.100 0.015 0.000 1.128 31 T CB 0.846 69.721 68.868 0.012 0.000 0.984 31 T HN 0.659 nan 8.240 nan 0.000 0.549 32 D N 1.303 121.730 120.400 0.045 0.000 2.460 32 D HA 0.232 4.872 4.640 -0.000 0.000 0.232 32 D C 0.490 176.839 176.300 0.080 0.000 1.079 32 D CA -0.603 53.437 54.000 0.068 0.000 0.864 32 D CB 0.650 41.500 40.800 0.084 0.000 1.048 32 D HN 0.373 nan 8.370 nan 0.000 0.523 33 K N 2.431 122.878 120.400 0.079 0.000 2.444 33 K HA 0.197 4.517 4.320 -0.000 0.000 0.193 33 K C 0.304 176.976 176.600 0.120 0.000 1.024 33 K CA 0.118 56.454 56.287 0.083 0.000 1.077 33 K CB 0.516 33.053 32.500 0.061 0.000 0.833 33 K HN 0.351 nan 8.250 nan 0.000 0.517 34 L N 2.047 123.370 121.223 0.167 0.000 2.270 34 L HA 0.203 4.543 4.340 -0.000 0.000 0.286 34 L C -0.316 176.778 176.870 0.373 0.000 1.059 34 L CA -0.322 54.683 54.840 0.276 0.000 0.839 34 L CB 0.995 43.211 42.059 0.263 0.000 1.221 34 L HN -0.084 nan 8.230 nan 0.000 0.431 35 T N 2.831 117.547 114.554 0.271 0.000 2.824 35 T HA 0.339 4.689 4.350 -0.000 0.000 0.280 35 T C 0.035 174.630 174.700 -0.173 0.000 0.995 35 T CA -0.578 61.567 62.100 0.075 0.000 1.009 35 T CB 1.824 70.736 68.868 0.073 0.000 0.955 35 T HN 0.405 nan 8.240 nan 0.000 0.452 36 R N 2.501 122.586 120.500 -0.691 0.000 2.221 36 R HA 0.363 4.703 4.340 -0.000 0.000 0.327 36 R C 0.843 176.860 176.300 -0.471 0.000 1.033 36 R CA -0.151 55.236 56.100 -1.190 0.000 0.887 36 R CB 0.623 29.978 30.300 -1.574 0.000 1.057 36 R HN 0.595 nan 8.270 nan 0.000 0.455 37 V N 0.288 120.044 119.914 -0.263 0.000 3.645 37 V HA 0.321 4.441 4.120 -0.000 0.000 0.275 37 V C -0.016 176.108 176.094 0.051 0.000 1.356 37 V CA 0.179 62.457 62.300 -0.037 0.000 1.051 37 V CB -0.251 31.639 31.823 0.112 0.000 0.828 37 V HN 0.821 nan 8.190 nan 0.000 0.441 38 H N -1.318 117.671 119.070 -0.134 0.000 2.917 38 H HA 0.340 4.896 4.556 -0.000 0.000 0.299 38 H C 0.262 175.600 175.328 0.018 0.000 1.418 38 H CA -0.038 55.988 56.048 -0.037 0.000 1.138 38 H CB 1.178 30.953 29.762 0.022 0.000 1.830 38 H HN -0.123 nan 8.280 nan 0.000 0.514 39 D N 0.772 120.958 120.400 -0.356 0.000 2.126 39 D HA -0.135 4.505 4.640 -0.000 0.000 0.190 39 D C 0.171 176.641 176.300 0.283 0.000 1.001 39 D CA 1.685 55.659 54.000 -0.043 0.000 0.841 39 D CB 0.223 40.959 40.800 -0.106 0.000 0.949 39 D HN 0.358 nan 8.370 nan 0.000 0.446 40 K N -0.321 120.288 120.400 0.349 0.000 2.792 40 K HA 0.356 4.676 4.320 -0.000 0.000 0.207 40 K C -0.375 176.504 176.600 0.465 0.000 1.103 40 K CA -0.073 56.476 56.287 0.436 0.000 1.048 40 K CB 1.351 34.074 32.500 0.372 0.000 0.777 40 K HN 0.061 nan 8.250 nan 0.000 0.468 41 I N 0.878 121.744 120.570 0.493 0.000 2.468 41 I HA 0.357 4.527 4.170 -0.000 0.000 0.284 41 I C -1.103 175.261 176.117 0.410 0.000 1.038 41 I CA -0.799 60.741 61.300 0.400 0.000 1.083 41 I CB 0.885 39.037 38.000 0.254 0.000 1.223 41 I HN -0.002 nan 8.210 nan 0.000 0.443 42 W N 5.774 127.164 121.300 0.150 0.000 2.894 42 W HA 0.733 5.393 4.660 0.000 0.000 0.345 42 W C -0.241 176.336 176.519 0.096 0.000 1.152 42 W CA -0.636 56.788 57.345 0.131 0.000 1.089 42 W CB 1.466 30.991 29.460 0.108 0.000 1.454 42 W HN 0.570 nan 8.180 nan 0.000 0.589 43 C N -0.785 118.696 119.300 0.300 0.000 3.171 43 C HA 0.874 5.334 4.460 -0.000 0.000 0.308 43 C C -0.828 174.234 174.990 0.120 0.000 1.334 43 C CA -1.085 57.994 59.018 0.102 0.000 1.473 43 C CB 0.876 28.558 27.740 -0.098 0.000 1.866 43 C HN 0.638 nan 8.230 nan 0.000 0.465 44 C N 1.954 121.278 119.300 0.039 0.000 2.345 44 C HA 0.742 5.202 4.460 -0.000 0.000 0.323 44 C C 0.217 175.218 174.990 0.018 0.000 1.276 44 C CA -0.365 58.685 59.018 0.053 0.000 1.543 44 C CB 0.294 28.060 27.740 0.044 0.000 2.211 44 C HN 0.945 nan 8.230 nan 0.000 0.493 45 R N 2.043 122.569 120.500 0.045 0.000 2.346 45 R HA 0.683 5.023 4.340 -0.000 0.000 0.311 45 R C -0.237 176.087 176.300 0.040 0.000 0.983 45 R CA 0.065 56.190 56.100 0.042 0.000 0.880 45 R CB 1.680 32.020 30.300 0.066 0.000 1.100 45 R HN 0.896 nan 8.270 nan 0.000 0.453 46 S N 0.783 116.504 115.700 0.036 0.000 2.564 46 S HA 0.866 5.336 4.470 -0.000 0.000 0.274 46 S C 0.174 174.798 174.600 0.040 0.000 1.124 46 S CA -0.057 58.165 58.200 0.036 0.000 0.869 46 S CB 2.373 65.592 63.200 0.031 0.000 1.105 46 S HN 0.946 nan 8.310 nan 0.000 0.472 47 G N 1.563 110.386 108.800 0.039 0.000 2.516 47 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.220 47 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.220 47 G C 0.008 174.932 174.900 0.041 0.000 1.165 47 G CA -0.192 44.931 45.100 0.039 0.000 1.013 47 G HN 1.958 nan 8.290 nan 0.000 0.590 48 S N 1.212 116.937 115.700 0.042 0.000 2.533 48 S HA 0.536 5.006 4.470 -0.000 0.000 0.282 48 S C 1.649 176.276 174.600 0.045 0.000 1.304 48 S CA 0.709 58.933 58.200 0.041 0.000 1.063 48 S CB 0.951 64.174 63.200 0.039 0.000 0.881 48 S HN 2.048 nan 8.310 nan 0.000 0.493 49 A N 5.779 128.624 122.820 0.042 0.000 1.873 49 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 49 A C 2.419 180.030 177.584 0.044 0.000 1.186 49 A CA 1.575 53.638 52.037 0.044 0.000 0.616 49 A CB -1.484 17.540 19.000 0.039 0.000 0.823 49 A HN 1.230 nan 8.150 nan 0.000 0.442 50 A N 0.246 123.089 122.820 0.039 0.000 1.883 50 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 50 A C 1.783 179.391 177.584 0.040 0.000 1.186 50 A CA 2.152 54.210 52.037 0.035 0.000 0.624 50 A CB -0.702 18.315 19.000 0.029 0.000 0.822 50 A HN 0.477 nan 8.150 nan 0.000 0.444 51 D N -0.517 119.910 120.400 0.044 0.000 2.084 51 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 51 D C 2.415 178.758 176.300 0.072 0.000 0.985 51 D CA 2.345 56.376 54.000 0.052 0.000 0.826 51 D CB -0.916 39.915 40.800 0.051 0.000 0.978 51 D HN 0.616 nan 8.370 nan 0.000 0.456 52 T N -1.110 113.492 114.554 0.080 0.000 2.788 52 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 52 T C 1.959 176.728 174.700 0.115 0.000 1.044 52 T CA 1.178 63.344 62.100 0.111 0.000 1.139 52 T CB -0.386 68.540 68.868 0.096 0.000 0.867 52 T HN 0.139 nan 8.240 nan 0.000 0.454 53 Q N 1.027 120.875 119.800 0.081 0.000 2.020 53 Q HA 0.033 4.373 4.340 -0.000 0.000 0.202 53 Q C 2.905 178.939 176.000 0.057 0.000 0.982 53 Q CA 1.540 57.384 55.803 0.067 0.000 0.838 53 Q CB -0.541 28.225 28.738 0.047 0.000 0.899 53 Q HN 0.716 nan 8.270 nan 0.000 0.423 54 A N 0.901 123.749 122.820 0.046 0.000 1.908 54 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 54 A C 2.027 179.630 177.584 0.032 0.000 1.181 54 A CA 1.383 53.437 52.037 0.029 0.000 0.627 54 A CB -0.769 18.245 19.000 0.023 0.000 0.818 54 A HN 0.340 nan 8.150 nan 0.000 0.445 55 I N -0.495 120.112 120.570 0.062 0.000 2.142 55 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 55 I C 3.037 179.158 176.117 0.005 0.000 1.078 55 I CA 1.103 62.438 61.300 0.059 0.000 1.343 55 I CB -0.473 37.620 38.000 0.154 0.000 1.046 55 I HN 0.381 nan 8.210 nan 0.000 0.405 56 A N 0.678 123.564 122.820 0.111 0.000 1.883 56 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 56 A C 1.930 179.516 177.584 0.004 0.000 1.186 56 A CA 2.288 54.389 52.037 0.106 0.000 0.624 56 A CB -0.763 18.354 19.000 0.196 0.000 0.822 56 A HN 0.362 nan 8.150 nan 0.000 0.444 57 D N -0.113 120.298 120.400 0.019 0.000 2.158 57 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 57 D C 1.766 178.073 176.300 0.010 0.000 0.995 57 D CA 1.248 55.253 54.000 0.008 0.000 0.846 57 D CB -0.311 40.490 40.800 0.002 0.000 0.941 57 D HN 0.564 nan 8.370 nan 0.000 0.456 58 I N -0.057 120.511 120.570 -0.003 0.000 2.277 58 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 58 I C 2.322 178.495 176.117 0.094 0.000 1.094 58 I CA 0.394 61.715 61.300 0.036 0.000 1.393 58 I CB -0.053 37.968 38.000 0.035 0.000 1.078 58 I HN -0.114 nan 8.210 nan 0.000 0.417 59 V N 0.786 120.648 119.914 -0.086 0.000 2.287 59 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 59 V C 2.506 178.563 176.094 -0.061 0.000 1.053 59 V CA 2.298 64.478 62.300 -0.198 0.000 1.027 59 V CB -0.839 30.516 31.823 -0.780 0.000 0.646 59 V HN 0.538 nan 8.190 nan 0.000 0.447 60 Q N -0.631 119.144 119.800 -0.041 0.000 2.112 60 Q HA -0.304 4.036 4.340 -0.000 0.000 0.206 60 Q C 2.244 178.260 176.000 0.027 0.000 0.987 60 Q CA 2.591 58.397 55.803 0.004 0.000 0.858 60 Q CB -0.437 28.304 28.738 0.004 0.000 0.905 60 Q HN 0.797 nan 8.270 nan 0.000 0.420 61 Y N 0.048 120.310 120.300 -0.063 0.000 2.181 61 Y HA -0.278 4.272 4.550 -0.000 0.000 0.288 61 Y C 2.087 177.935 175.900 -0.086 0.000 1.146 61 Y CA 2.153 60.195 58.100 -0.096 0.000 1.164 61 Y CB -0.443 37.915 38.460 -0.170 0.000 0.982 61 Y HN 0.278 nan 8.280 nan 0.000 0.515 62 H N 0.234 119.155 119.070 -0.248 0.000 2.387 62 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 62 H C 2.320 177.541 175.328 -0.178 0.000 1.090 62 H CA 1.965 57.848 56.048 -0.275 0.000 1.332 62 H CB -0.207 29.509 29.762 -0.077 0.000 1.386 62 H HN 0.410 nan 8.280 nan 0.000 0.516 63 L N 0.288 121.505 121.223 -0.010 0.000 2.109 63 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 63 L C 2.581 179.469 176.870 0.030 0.000 1.086 63 L CA 1.054 55.873 54.840 -0.035 0.000 0.760 63 L CB -0.354 41.646 42.059 -0.099 0.000 0.910 63 L HN 0.269 nan 8.230 nan 0.000 0.437 64 E N 0.814 121.009 120.200 -0.010 0.000 2.051 64 E HA -0.279 4.071 4.350 -0.000 0.000 0.192 64 E C 2.224 178.790 176.600 -0.056 0.000 0.991 64 E CA 1.252 57.654 56.400 0.003 0.000 0.799 64 E CB -0.033 29.646 29.700 -0.036 0.000 0.748 64 E HN 0.251 nan 8.360 nan 0.000 0.449 65 L N 0.284 121.393 121.223 -0.191 0.000 2.056 65 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 65 L C 2.211 179.023 176.870 -0.097 0.000 1.078 65 L CA 1.873 56.592 54.840 -0.201 0.000 0.749 65 L CB -0.910 40.931 42.059 -0.364 0.000 0.901 65 L HN 0.329 nan 8.230 nan 0.000 0.433 66 Y N -0.123 120.116 120.300 -0.101 0.000 2.128 66 Y HA -0.315 4.235 4.550 0.000 0.000 0.284 66 Y C 2.368 178.248 175.900 -0.034 0.000 1.154 66 Y CA 2.498 60.612 58.100 0.023 0.000 1.149 66 Y CB -0.509 37.987 38.460 0.060 0.000 0.976 66 Y HN 0.198 nan 8.280 nan 0.000 0.505 67 T N -0.484 114.204 114.554 0.223 0.000 2.684 67 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 67 T C 2.050 176.724 174.700 -0.043 0.000 1.036 67 T CA 1.747 63.936 62.100 0.149 0.000 1.148 67 T CB -0.545 68.451 68.868 0.214 0.000 0.863 67 T HN 0.362 nan 8.240 nan 0.000 0.436 68 S N 1.271 116.915 115.700 -0.094 0.000 2.402 68 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 68 S C 2.177 176.614 174.600 -0.271 0.000 1.030 68 S CA 1.282 59.394 58.200 -0.146 0.000 1.003 68 S CB -0.268 62.850 63.200 -0.138 0.000 0.813 68 S HN 0.606 nan 8.310 nan 0.000 0.477 69 Q N -1.473 118.018 119.800 -0.515 0.000 2.324 69 Q HA 0.165 4.505 4.340 -0.000 0.000 0.207 69 Q C -0.159 175.299 176.000 -0.904 0.000 0.928 69 Q CA 0.584 55.861 55.803 -0.876 0.000 0.890 69 Q CB 0.287 28.099 28.738 -1.544 0.000 1.001 69 Q HN 0.584 nan 8.270 nan 0.000 0.517 73 T N 3.171 117.848 114.554 0.206 0.000 2.928 73 T HA 0.438 4.788 4.350 -0.000 0.000 0.305 73 T C -1.975 172.850 174.700 0.208 0.000 1.035 73 T CA 0.115 62.339 62.100 0.207 0.000 1.145 73 T CB 1.078 70.053 68.868 0.180 0.000 0.963 73 T HN 0.478 nan 8.240 nan 0.000 0.545 74 P HA 0.310 nan 4.420 nan 0.000 0.290 74 P C -0.318 176.849 177.300 -0.221 0.000 1.275 74 P CA -0.699 62.200 63.100 -0.336 0.000 0.841 74 P CB 1.107 32.305 31.700 -0.837 0.000 1.042 75 S N 0.826 116.410 115.700 -0.193 0.000 2.634 75 S HA 0.144 4.614 4.470 -0.000 0.000 0.261 75 S C 1.267 175.794 174.600 -0.121 0.000 1.271 75 S CA -0.025 58.111 58.200 -0.108 0.000 0.985 75 S CB -0.417 62.737 63.200 -0.077 0.000 0.968 75 S HN 0.456 nan 8.310 nan 0.000 0.568 76 T N 0.403 114.933 114.554 -0.040 0.000 2.904 76 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 76 T C 1.655 176.245 174.700 -0.184 0.000 1.059 76 T CA 1.358 63.457 62.100 -0.002 0.000 1.137 76 T CB -0.453 68.511 68.868 0.159 0.000 0.879 76 T HN 0.785 nan 8.240 nan 0.000 0.467 77 E N 0.674 120.751 120.200 -0.206 0.000 2.058 77 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 77 E C 2.127 178.494 176.600 -0.388 0.000 0.997 77 E CA 1.375 57.506 56.400 -0.448 0.000 0.801 77 E CB -0.064 29.549 29.700 -0.145 0.000 0.746 77 E HN 0.339 nan 8.360 nan 0.000 0.450 78 T N 0.508 114.899 114.554 -0.271 0.000 2.720 78 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 78 T C 1.791 176.333 174.700 -0.263 0.000 1.037 78 T CA 1.346 63.278 62.100 -0.280 0.000 1.144 78 T CB -0.282 68.357 68.868 -0.382 0.000 0.864 78 T HN 0.340 nan 8.240 nan 0.000 0.444 79 A N 1.295 123.979 122.820 -0.228 0.000 1.902 79 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 79 A C 2.619 180.221 177.584 0.031 0.000 1.181 79 A CA 1.807 53.788 52.037 -0.092 0.000 0.623 79 A CB -1.024 17.974 19.000 -0.003 0.000 0.818 79 A HN 0.510 nan 8.150 nan 0.000 0.443 80 A N -0.906 121.824 122.820 -0.150 0.000 1.969 80 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 80 A C 2.437 179.971 177.584 -0.084 0.000 1.169 80 A CA 2.028 53.974 52.037 -0.152 0.000 0.635 80 A CB -0.805 17.813 19.000 -0.637 0.000 0.810 80 A HN 0.551 nan 8.150 nan 0.000 0.445 81 S N -0.671 114.930 115.700 -0.166 0.000 2.383 81 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 81 S C 1.874 176.421 174.600 -0.088 0.000 1.026 81 S CA 1.558 59.680 58.200 -0.129 0.000 0.981 81 S CB -0.386 62.718 63.200 -0.160 0.000 0.818 81 S HN 0.290 nan 8.310 nan 0.000 0.472 82 V N 1.031 120.878 119.914 -0.111 0.000 2.358 82 V HA -0.056 4.064 4.120 -0.000 0.000 0.246 82 V C 2.035 178.065 176.094 -0.106 0.000 1.047 82 V CA 1.666 63.866 62.300 -0.167 0.000 1.035 82 V CB -0.853 30.817 31.823 -0.256 0.000 0.658 82 V HN 0.460 nan 8.190 nan 0.000 0.452 83 F N 0.858 120.771 119.950 -0.062 0.000 2.075 83 F HA -0.178 4.349 4.527 0.000 0.000 0.297 83 F C 2.546 178.343 175.800 -0.004 0.000 1.113 83 F CA 2.211 60.202 58.000 -0.016 0.000 1.218 83 F CB -0.487 38.508 39.000 -0.009 0.000 0.984 83 F HN 0.021 nan 8.300 nan 0.000 0.472 84 K N 0.651 121.163 120.400 0.186 0.000 2.063 84 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 84 K C 2.016 178.675 176.600 0.098 0.000 1.048 84 K CA 1.979 58.330 56.287 0.106 0.000 0.928 84 K CB -0.380 32.130 32.500 0.017 0.000 0.713 84 K HN 0.151 nan 8.250 nan 0.000 0.442 85 E N 0.963 121.188 120.200 0.043 0.000 2.058 85 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 85 E C 2.134 178.785 176.600 0.085 0.000 0.997 85 E CA 1.347 57.774 56.400 0.045 0.000 0.801 85 E CB -0.243 29.439 29.700 -0.029 0.000 0.746 85 E HN 0.378 nan 8.360 nan 0.000 0.450 86 L N -0.815 120.443 121.223 0.058 0.000 2.093 86 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 86 L C 2.471 179.399 176.870 0.096 0.000 1.085 86 L CA 0.958 55.836 54.840 0.063 0.000 0.755 86 L CB -0.252 41.828 42.059 0.036 0.000 0.904 86 L HN 0.279 nan 8.230 nan 0.000 0.435 87 C N -1.737 117.645 119.300 0.137 0.000 2.446 87 C HA -0.144 4.316 4.460 -0.000 0.000 0.279 87 C C 2.635 177.709 174.990 0.140 0.000 1.366 87 C CA 0.131 59.231 59.018 0.137 0.000 1.763 87 C CB -0.649 27.187 27.740 0.161 0.000 1.929 87 C HN 0.522 nan 8.230 nan 0.000 0.509 88 Y N 1.829 122.149 120.300 0.033 0.000 2.201 88 Y HA -0.046 4.504 4.550 -0.000 0.000 0.292 88 Y C 2.412 178.322 175.900 0.016 0.000 1.119 88 Y CA 1.697 59.810 58.100 0.021 0.000 1.127 88 Y CB -0.212 38.254 38.460 0.011 0.000 1.019 88 Y HN 0.090 nan 8.280 nan 0.000 0.514 89 E N 0.533 120.774 120.200 0.067 0.000 2.204 89 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 89 E C 0.560 177.118 176.600 -0.072 0.000 0.990 89 E CA 1.148 57.532 56.400 -0.027 0.000 0.821 89 E CB -0.186 29.555 29.700 0.069 0.000 0.750 89 E HN 0.424 nan 8.360 nan 0.000 0.477 90 N N -0.165 118.513 118.700 -0.037 0.000 2.338 90 N HA 0.015 4.755 4.740 -0.000 0.000 0.251 90 N C 0.570 176.058 175.510 -0.036 0.000 1.199 90 N CA 0.061 53.093 53.050 -0.029 0.000 0.879 90 N CB 0.585 39.075 38.487 0.006 0.000 1.159 90 N HN 0.249 nan 8.380 nan 0.000 0.514 91 K N -0.475 119.877 120.400 -0.080 0.000 2.160 91 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 91 K C 0.275 176.850 176.600 -0.043 0.000 1.047 91 K CA 0.899 57.150 56.287 -0.059 0.000 0.930 91 K CB 0.094 32.527 32.500 -0.112 0.000 0.720 91 K HN -0.071 nan 8.250 nan 0.000 0.450 95 L N 0.523 121.754 121.223 0.014 0.000 2.371 95 L HA 0.620 4.960 4.340 -0.000 0.000 0.262 95 L C -0.353 176.535 176.870 0.031 0.000 1.006 95 L CA -0.431 54.426 54.840 0.028 0.000 0.818 95 L CB 2.480 44.564 42.059 0.040 0.000 1.354 95 L HN -0.164 nan 8.230 nan 0.000 0.415 96 T N 1.623 116.200 114.554 0.038 0.000 3.209 96 T HA 0.606 4.956 4.350 -0.000 0.000 0.366 96 T C -0.620 174.108 174.700 0.047 0.000 1.293 96 T CA -0.407 61.715 62.100 0.037 0.000 1.417 96 T CB 0.947 69.834 68.868 0.032 0.000 1.013 96 T HN 0.595 nan 8.240 nan 0.000 0.572 97 A N 1.411 124.265 122.820 0.056 0.000 2.375 97 A HA 0.826 5.146 4.320 -0.000 0.000 0.295 97 A C 0.199 177.819 177.584 0.059 0.000 1.066 97 A CA -0.862 51.214 52.037 0.065 0.000 0.722 97 A CB 1.207 20.262 19.000 0.091 0.000 1.206 97 A HN 0.693 nan 8.150 nan 0.000 0.435 98 G N 1.978 110.805 108.800 0.045 0.000 2.468 98 G HA2 0.573 4.533 3.960 -0.000 0.000 0.315 98 G HA3 0.573 4.533 3.960 -0.000 0.000 0.315 98 G C -0.669 174.239 174.900 0.013 0.000 1.203 98 G CA -0.251 44.870 45.100 0.035 0.000 0.962 98 G HN 0.641 nan 8.290 nan 0.000 0.476 99 I N 2.105 122.666 120.570 -0.015 0.000 2.569 99 I HA 0.451 4.621 4.170 -0.000 0.000 0.296 99 I C -0.419 175.626 176.117 -0.120 0.000 1.028 99 I CA -0.914 60.327 61.300 -0.098 0.000 1.082 99 I CB 2.557 40.428 38.000 -0.215 0.000 1.264 99 I HN 0.220 nan 8.210 nan 0.000 0.429 100 I N 5.866 126.365 120.570 -0.118 0.000 2.378 100 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 100 I C -0.704 175.355 176.117 -0.097 0.000 0.992 100 I CA -0.824 60.435 61.300 -0.068 0.000 1.154 100 I CB 1.887 39.880 38.000 -0.012 0.000 1.315 100 I HN 0.141 nan 8.210 nan 0.000 0.448 101 V N 5.745 125.628 119.914 -0.051 0.000 2.370 101 V HA 0.724 4.844 4.120 -0.000 0.000 0.283 101 V C 0.158 176.347 176.094 0.159 0.000 1.023 101 V CA -0.419 61.881 62.300 -0.000 0.000 0.857 101 V CB 1.371 33.178 31.823 -0.027 0.000 0.985 101 V HN 0.824 nan 8.190 nan 0.000 0.443 102 A N 3.729 126.657 122.820 0.181 0.000 2.374 102 A HA 0.973 5.293 4.320 -0.000 0.000 0.305 102 A C -0.043 177.692 177.584 0.251 0.000 1.053 102 A CA -0.120 52.041 52.037 0.207 0.000 0.726 102 A CB 1.846 20.951 19.000 0.175 0.000 1.229 102 A HN 1.141 nan 8.150 nan 0.000 0.431 103 G N -0.146 108.798 108.800 0.241 0.000 2.696 103 G HA2 0.544 4.504 3.960 -0.000 0.000 0.295 103 G HA3 0.544 4.504 3.960 -0.000 0.000 0.295 103 G C -1.853 173.182 174.900 0.225 0.000 1.398 103 G CA -0.453 44.799 45.100 0.253 0.000 0.920 103 G HN 1.019 nan 8.290 nan 0.000 0.492 104 Y N 1.201 121.581 120.300 0.132 0.000 2.377 104 Y HA 0.566 5.116 4.550 -0.000 0.000 0.339 104 Y C 0.322 176.274 175.900 0.087 0.000 1.011 104 Y CA -0.179 57.971 58.100 0.083 0.000 1.093 104 Y CB 2.363 40.857 38.460 0.057 0.000 1.201 104 Y HN 0.802 nan 8.280 nan 0.000 0.455 105 D N 0.762 120.601 120.400 -0.935 0.000 2.880 105 D HA 0.061 4.701 4.640 -0.000 0.000 0.168 105 D C -0.036 175.733 176.300 -0.885 0.000 1.452 105 D CA 0.565 54.183 54.000 -0.636 0.000 1.553 105 D CB 0.055 40.709 40.800 -0.242 0.000 1.386 105 D HN 0.536 nan 8.370 nan 0.000 0.208 106 N N 1.350 119.970 118.700 -0.133 0.000 2.629 106 N HA -0.378 4.362 4.740 -0.000 0.000 0.246 106 N C 0.620 176.061 175.510 -0.115 0.000 1.176 106 N CA 1.891 54.882 53.050 -0.098 0.000 0.809 106 N CB -0.597 37.851 38.487 -0.065 0.000 1.175 106 N HN 0.739 nan 8.380 nan 0.000 0.577 107 K N -1.348 118.941 120.400 -0.185 0.000 2.546 107 K HA -0.239 4.081 4.320 -0.000 0.000 0.155 107 K C 0.190 176.730 176.600 -0.100 0.000 1.219 107 K CA 1.822 58.056 56.287 -0.088 0.000 0.377 107 K CB -1.577 30.902 32.500 -0.034 0.000 0.691 107 K HN 0.280 nan 8.250 nan 0.000 0.744 108 G N 1.188 109.997 108.800 0.016 0.000 2.482 108 G HA2 0.607 4.567 3.960 -0.000 0.000 0.317 108 G HA3 0.607 4.567 3.960 -0.000 0.000 0.317 108 G C -1.401 173.523 174.900 0.040 0.000 1.241 108 G CA -0.438 44.707 45.100 0.075 0.000 0.967 108 G HN 0.492 nan 8.290 nan 0.000 0.482 109 E N -0.193 120.044 120.200 0.063 0.000 2.312 109 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 109 E C -1.310 175.292 176.600 0.004 0.000 0.894 109 E CA -0.866 55.532 56.400 -0.004 0.000 0.773 109 E CB 3.247 32.975 29.700 0.046 0.000 1.241 109 E HN 0.217 nan 8.360 nan 0.000 0.432 110 V N 2.662 122.468 119.914 -0.181 0.000 2.525 110 V HA 0.329 4.449 4.120 -0.000 0.000 0.299 110 V C -1.671 174.241 176.094 -0.303 0.000 1.034 110 V CA -0.735 61.503 62.300 -0.103 0.000 0.863 110 V CB 0.951 32.752 31.823 -0.037 0.000 0.999 110 V HN 0.560 nan 8.190 nan 0.000 0.423 111 Y N 1.970 122.270 120.300 -0.000 0.000 2.331 111 Y HA 0.566 5.116 4.550 -0.000 0.000 0.334 111 Y C 0.495 176.382 175.900 -0.021 0.000 0.960 111 Y CA -0.583 57.511 58.100 -0.009 0.000 1.130 111 Y CB 2.193 40.644 38.460 -0.014 0.000 1.164 111 Y HN 0.506 nan 8.280 nan 0.000 0.458 112 T N 5.185 119.812 114.554 0.122 0.000 2.795 112 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 112 T C -0.571 174.213 174.700 0.141 0.000 0.980 112 T CA -0.450 61.700 62.100 0.083 0.000 1.012 112 T CB 0.048 68.934 68.868 0.030 0.000 0.936 112 T HN 0.536 nan 8.240 nan 0.000 0.457 113 I N 8.870 129.489 120.570 0.082 0.000 2.464 113 I HA 0.327 4.497 4.170 -0.000 0.000 0.277 113 I C -2.004 174.169 176.117 0.093 0.000 1.040 113 I CA -2.234 59.124 61.300 0.096 0.000 1.153 113 I CB 1.772 39.803 38.000 0.052 0.000 1.274 113 I HN 0.456 nan 8.210 nan 0.000 0.469 114 P HA 0.103 nan 4.420 nan 0.000 0.275 114 P C 0.954 178.309 177.300 0.092 0.000 1.266 114 P CA -0.527 62.630 63.100 0.095 0.000 0.793 114 P CB 1.459 33.215 31.700 0.094 0.000 1.074 115 L N 1.087 122.351 121.223 0.068 0.000 2.064 115 L HA -0.199 4.141 4.340 -0.000 0.000 0.216 115 L C 2.739 179.654 176.870 0.075 0.000 1.077 115 L CA 2.701 57.578 54.840 0.062 0.000 0.766 115 L CB -2.151 39.934 42.059 0.043 0.000 0.890 115 L HN 0.635 nan 8.230 nan 0.000 0.435 116 G N -2.189 106.666 108.800 0.091 0.000 2.422 116 G HA2 0.095 4.055 3.960 -0.000 0.000 0.218 116 G HA3 0.095 4.055 3.960 -0.000 0.000 0.218 116 G C 1.212 176.208 174.900 0.160 0.000 1.146 116 G CA 0.970 46.135 45.100 0.109 0.000 0.769 116 G HN 0.780 nan 8.290 nan 0.000 0.547 117 G N -1.112 107.793 108.800 0.175 0.000 2.164 117 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.154 117 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.154 117 G C 0.403 175.402 174.900 0.166 0.000 1.014 117 G CA 0.645 45.880 45.100 0.224 0.000 0.683 117 G HN 1.383 nan 8.290 nan 0.000 0.500 118 S N -0.717 115.052 115.700 0.115 0.000 2.652 118 S HA 0.823 5.293 4.470 -0.000 0.000 0.270 118 S C 0.139 174.667 174.600 -0.121 0.000 1.243 118 S CA -0.141 58.042 58.200 -0.029 0.000 0.999 118 S CB 2.543 65.766 63.200 0.038 0.000 0.973 118 S HN 1.234 nan 8.310 nan 0.000 0.544 119 V N 1.602 121.310 119.914 -0.343 0.000 2.680 119 V HA 0.558 4.678 4.120 -0.000 0.000 0.309 119 V C -0.743 175.021 176.094 -0.550 0.000 1.052 119 V CA -0.710 61.439 62.300 -0.252 0.000 0.908 119 V CB 1.370 33.138 31.823 -0.093 0.000 1.001 119 V HN 0.980 nan 8.190 nan 0.000 0.431 120 H N 2.509 121.621 119.070 0.070 0.000 2.924 120 H HA 0.386 4.942 4.556 -0.000 0.000 0.333 120 H C -0.758 174.557 175.328 -0.022 0.000 0.979 120 H CA -0.686 55.373 56.048 0.018 0.000 1.326 120 H CB 2.342 32.093 29.762 -0.019 0.000 1.600 120 H HN 0.663 nan 8.280 nan 0.000 0.520 121 K N 4.220 124.618 120.400 -0.003 0.000 2.234 121 K HA 0.544 4.864 4.320 -0.000 0.000 0.282 121 K C -0.973 175.509 176.600 -0.196 0.000 1.039 121 K CA -0.283 55.832 56.287 -0.286 0.000 0.928 121 K CB 0.637 32.920 32.500 -0.362 0.000 1.039 121 K HN 0.472 nan 8.250 nan 0.000 0.470 122 L N 4.395 125.473 121.223 -0.242 0.000 2.491 122 L HA 0.351 4.691 4.340 -0.000 0.000 0.254 122 L C -2.078 174.698 176.870 -0.155 0.000 1.048 122 L CA -2.067 52.661 54.840 -0.186 0.000 0.855 122 L CB 2.169 44.090 42.059 -0.231 0.000 1.466 122 L HN 0.471 nan 8.230 nan 0.000 0.409 123 P HA -0.069 nan 4.420 nan 0.000 0.219 123 P C -1.250 176.042 177.300 -0.013 0.000 1.150 123 P CA 1.246 64.359 63.100 0.021 0.000 0.814 123 P CB 0.134 31.907 31.700 0.122 0.000 0.787 124 Y N -3.881 116.199 120.300 -0.367 0.000 2.677 124 Y HA 0.729 5.279 4.550 -0.000 0.000 0.334 124 Y C -2.031 173.734 175.900 -0.225 0.000 1.196 124 Y CA -1.903 56.016 58.100 -0.302 0.000 1.059 124 Y CB 0.484 38.636 38.460 -0.515 0.000 1.315 124 Y HN -0.139 nan 8.280 nan 0.000 0.455 125 A N 2.385 125.074 122.820 -0.218 0.000 2.549 125 A HA 0.829 5.149 4.320 -0.000 0.000 0.297 125 A C -1.524 175.991 177.584 -0.115 0.000 1.061 125 A CA -0.526 51.329 52.037 -0.304 0.000 0.690 125 A CB 1.354 20.248 19.000 -0.177 0.000 1.287 125 A HN 1.357 nan 8.150 nan 0.000 0.402 126 I N -1.614 118.848 120.570 -0.180 0.000 2.785 126 I HA 1.000 5.170 4.170 -0.000 0.000 0.302 126 I C -0.254 175.806 176.117 -0.095 0.000 1.069 126 I CA -0.967 60.262 61.300 -0.118 0.000 1.045 126 I CB 2.193 40.083 38.000 -0.184 0.000 1.236 126 I HN 1.212 nan 8.210 nan 0.000 0.429 127 A N 2.884 125.682 122.820 -0.035 0.000 2.586 127 A HA 0.956 5.276 4.320 -0.000 0.000 0.290 127 A C -0.261 177.336 177.584 0.022 0.000 1.086 127 A CA -0.270 51.769 52.037 0.004 0.000 0.665 127 A CB 0.829 19.831 19.000 0.003 0.000 1.279 127 A HN 2.379 nan 8.150 nan 0.000 0.423 128 G N -0.800 108.019 108.800 0.032 0.000 2.662 128 G HA2 0.314 4.274 3.960 -0.000 0.000 0.686 128 G HA3 0.314 4.274 3.960 -0.000 0.000 0.686 128 G C 0.775 175.698 174.900 0.038 0.000 1.271 128 G CA 0.395 45.517 45.100 0.036 0.000 0.816 128 G HN 2.256 nan 8.290 nan 0.000 0.608 129 S N -0.500 115.226 115.700 0.043 0.000 2.387 129 S HA -0.050 4.420 4.470 -0.000 0.000 0.230 129 S C 2.603 177.231 174.600 0.047 0.000 1.035 129 S CA 2.270 60.492 58.200 0.036 0.000 1.014 129 S CB -0.644 62.601 63.200 0.076 0.000 0.836 129 S HN 2.231 nan 8.310 nan 0.000 0.466 130 G N 1.820 110.699 108.800 0.131 0.000 2.443 130 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.219 130 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.219 130 G C 1.681 176.685 174.900 0.174 0.000 1.131 130 G CA 1.120 46.370 45.100 0.250 0.000 0.775 130 G HN 0.791 nan 8.290 nan 0.000 0.547 131 S N 1.333 117.080 115.700 0.080 0.000 2.402 131 S HA -0.234 4.236 4.470 -0.000 0.000 0.233 131 S C 2.424 177.117 174.600 0.155 0.000 1.030 131 S CA 2.306 60.546 58.200 0.066 0.000 1.003 131 S CB -1.197 62.022 63.200 0.031 0.000 0.813 131 S HN 0.552 nan 8.310 nan 0.000 0.477 132 T N -0.658 113.910 114.554 0.025 0.000 2.803 132 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 132 T C 1.305 175.975 174.700 -0.052 0.000 1.052 132 T CA 1.111 63.184 62.100 -0.045 0.000 1.136 132 T CB -0.951 67.628 68.868 -0.481 0.000 0.864 132 T HN 0.423 nan 8.240 nan 0.000 0.467 133 F N 1.875 121.935 119.950 0.182 0.000 2.748 133 F HA 0.352 4.879 4.527 -0.000 0.000 0.299 133 F C 1.792 177.680 175.800 0.148 0.000 1.154 133 F CA -0.533 57.537 58.000 0.117 0.000 1.446 133 F CB -0.555 38.524 39.000 0.132 0.000 1.112 133 F HN 0.365 nan 8.300 nan 0.000 0.584 134 I N -5.496 115.263 120.570 0.315 0.000 3.947 134 I HA 0.186 4.356 4.170 -0.000 0.000 0.327 134 I C 1.184 177.439 176.117 0.231 0.000 1.519 134 I CA -0.221 61.239 61.300 0.267 0.000 1.122 134 I CB -0.720 37.390 38.000 0.184 0.000 1.146 134 I HN -0.114 nan 8.210 nan 0.000 0.442 135 Y N 2.651 123.037 120.300 0.142 0.000 2.145 135 Y HA -0.071 4.479 4.550 -0.000 0.000 0.286 135 Y C 2.685 178.675 175.900 0.151 0.000 1.145 135 Y CA 2.459 60.633 58.100 0.122 0.000 1.148 135 Y CB -0.362 38.126 38.460 0.047 0.000 0.981 135 Y HN 0.321 nan 8.280 nan 0.000 0.507 136 G N -1.365 107.613 108.800 0.296 0.000 2.453 136 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.215 136 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.215 136 G C 1.520 176.542 174.900 0.205 0.000 1.201 136 G CA 1.032 46.260 45.100 0.212 0.000 0.784 136 G HN 0.463 nan 8.290 nan 0.000 0.545 137 Y N 1.045 121.431 120.300 0.145 0.000 2.069 137 Y HA -0.295 4.255 4.550 -0.000 0.000 0.278 137 Y C 2.948 178.959 175.900 0.184 0.000 1.175 137 Y CA 1.848 60.035 58.100 0.144 0.000 1.134 137 Y CB -0.628 37.914 38.460 0.136 0.000 0.965 137 Y HN 0.261 nan 8.280 nan 0.000 0.498 138 C N -0.146 119.315 119.300 0.269 0.000 2.435 138 C HA -0.136 4.324 4.460 -0.000 0.000 0.279 138 C C 2.432 177.557 174.990 0.224 0.000 1.321 138 C CA 1.299 60.498 59.018 0.301 0.000 1.752 138 C CB -1.220 26.718 27.740 0.330 0.000 1.959 138 C HN 0.671 nan 8.230 nan 0.000 0.500 139 D N 0.591 121.112 120.400 0.202 0.000 2.178 139 D HA -0.091 4.548 4.640 -0.000 0.000 0.202 139 D C 2.057 178.408 176.300 0.084 0.000 0.974 139 D CA 1.032 55.145 54.000 0.188 0.000 0.841 139 D CB 0.000 40.905 40.800 0.174 0.000 0.953 139 D HN 0.268 nan 8.370 nan 0.000 0.478 140 K N -0.200 120.203 120.400 0.005 0.000 2.404 140 K HA 0.134 4.454 4.320 -0.000 0.000 0.194 140 K C 0.487 176.994 176.600 -0.154 0.000 1.023 140 K CA 0.256 56.504 56.287 -0.065 0.000 1.094 140 K CB 0.292 32.750 32.500 -0.070 0.000 0.841 140 K HN 0.193 nan 8.250 nan 0.000 0.523 141 N N -0.737 117.853 118.700 -0.183 0.000 2.168 141 N HA 0.052 4.792 4.740 -0.000 0.000 0.216 141 N C -0.377 174.877 175.510 -0.427 0.000 1.259 141 N CA -0.305 52.592 53.050 -0.254 0.000 0.902 141 N CB 0.440 38.752 38.487 -0.293 0.000 1.079 141 N HN -0.008 nan 8.380 nan 0.000 0.507 142 F N 2.216 121.790 119.950 -0.627 0.000 2.429 142 F HA 0.424 4.951 4.527 -0.000 0.000 0.348 142 F C 0.102 175.593 175.800 -0.514 0.000 1.109 142 F CA -0.275 57.134 58.000 -0.985 0.000 1.232 142 F CB 0.536 38.915 39.000 -1.036 0.000 1.157 142 F HN -0.249 nan 8.300 nan 0.000 0.564 143 R N 4.140 123.726 120.500 -1.523 0.000 2.673 143 R HA 0.250 4.590 4.340 -0.000 0.000 0.281 143 R C -0.985 174.487 176.300 -1.379 0.000 0.991 143 R CA -1.001 54.465 56.100 -1.058 0.000 0.896 143 R CB 2.089 32.037 30.300 -0.586 0.000 1.201 143 R HN 0.700 nan 8.270 nan 0.000 0.457 144 E N 1.117 120.855 120.200 -0.770 0.000 2.366 144 E HA 0.055 4.405 4.350 -0.000 0.000 0.266 144 E C -0.447 176.007 176.600 -0.244 0.000 1.051 144 E CA -0.032 56.118 56.400 -0.415 0.000 0.884 144 E CB 0.470 30.114 29.700 -0.094 0.000 1.006 144 E HN 0.545 nan 8.360 nan 0.000 0.417 145 N N 1.236 119.879 118.700 -0.095 0.000 2.740 145 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 145 N C -0.612 174.891 175.510 -0.012 0.000 1.062 145 N CA 0.042 53.079 53.050 -0.022 0.000 0.704 145 N CB -0.985 37.482 38.487 -0.034 0.000 0.968 145 N HN 0.389 nan 8.380 nan 0.000 0.547 146 M N 0.068 119.654 119.600 -0.022 0.000 2.103 146 M HA 0.164 4.644 4.480 -0.000 0.000 0.291 146 M C 1.230 177.603 176.300 0.122 0.000 1.216 146 M CA -0.048 55.229 55.300 -0.038 0.000 1.132 146 M CB 0.457 32.972 32.600 -0.142 0.000 1.396 146 M HN 0.288 nan 8.290 nan 0.000 0.479 147 S N -0.338 115.385 115.700 0.038 0.000 2.669 147 S HA 0.234 4.704 4.470 -0.000 0.000 0.270 147 S C 0.728 175.257 174.600 -0.119 0.000 1.225 147 S CA -0.841 57.406 58.200 0.079 0.000 0.991 147 S CB 1.219 64.429 63.200 0.017 0.000 0.987 147 S HN 0.791 nan 8.310 nan 0.000 0.552 148 K N 0.913 121.220 120.400 -0.155 0.000 2.074 148 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 148 K C 1.712 178.115 176.600 -0.329 0.000 1.048 148 K CA 2.073 58.045 56.287 -0.526 0.000 0.926 148 K CB -0.405 31.981 32.500 -0.191 0.000 0.713 148 K HN 0.811 nan 8.250 nan 0.000 0.444 149 E N 0.598 120.705 120.200 -0.156 0.000 2.051 149 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 149 E C 1.997 178.547 176.600 -0.083 0.000 0.991 149 E CA 1.610 57.952 56.400 -0.096 0.000 0.799 149 E CB -0.086 29.583 29.700 -0.052 0.000 0.748 149 E HN 0.453 nan 8.360 nan 0.000 0.449 150 E N 0.550 120.697 120.200 -0.089 0.000 2.077 150 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 150 E C 2.185 178.763 176.600 -0.037 0.000 0.989 150 E CA 1.538 57.899 56.400 -0.064 0.000 0.800 150 E CB -0.181 29.465 29.700 -0.090 0.000 0.746 150 E HN 0.196 nan 8.360 nan 0.000 0.452 151 T N 1.089 115.569 114.554 -0.122 0.000 2.674 151 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 151 T C 2.158 176.862 174.700 0.006 0.000 1.039 151 T CA 1.124 63.184 62.100 -0.067 0.000 1.150 151 T CB -0.292 68.364 68.868 -0.354 0.000 0.864 151 T HN -0.030 nan 8.240 nan 0.000 0.427 152 V N 2.066 121.921 119.914 -0.098 0.000 2.392 152 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 152 V C 2.327 178.445 176.094 0.040 0.000 1.059 152 V CA 1.813 64.085 62.300 -0.047 0.000 1.051 152 V CB -0.605 31.171 31.823 -0.078 0.000 0.658 152 V HN 0.433 nan 8.190 nan 0.000 0.455 153 D N -0.596 119.854 120.400 0.083 0.000 2.084 153 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 153 D C 1.871 178.366 176.300 0.324 0.000 0.985 153 D CA 1.246 55.366 54.000 0.201 0.000 0.826 153 D CB -0.429 40.460 40.800 0.149 0.000 0.978 153 D HN 0.422 nan 8.370 nan 0.000 0.456 154 F N 1.584 121.584 119.950 0.084 0.000 2.115 154 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 154 F C 2.089 177.987 175.800 0.163 0.000 1.092 154 F CA 1.265 59.330 58.000 0.108 0.000 1.245 154 F CB -0.419 38.597 39.000 0.026 0.000 0.995 154 F HN -0.082 nan 8.300 nan 0.000 0.481 155 I N -0.052 120.498 120.570 -0.035 0.000 2.286 155 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 155 I C 2.497 178.553 176.117 -0.101 0.000 1.104 155 I CA 1.454 62.655 61.300 -0.166 0.000 1.397 155 I CB -0.540 37.434 38.000 -0.043 0.000 1.072 155 I HN 0.095 nan 8.210 nan 0.000 0.417 156 K N 0.286 120.673 120.400 -0.021 0.000 2.097 156 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 156 K C 2.073 178.586 176.600 -0.145 0.000 1.049 156 K CA 1.626 57.869 56.287 -0.073 0.000 0.933 156 K CB -0.028 32.433 32.500 -0.064 0.000 0.717 156 K HN 0.329 nan 8.250 nan 0.000 0.442 157 H N -0.694 118.326 119.070 -0.084 0.000 2.307 157 H HA 0.037 4.593 4.556 -0.000 0.000 0.303 157 H C 2.251 177.409 175.328 -0.282 0.000 1.073 157 H CA 1.790 57.761 56.048 -0.129 0.000 1.338 157 H CB -0.130 29.645 29.762 0.021 0.000 1.389 157 H HN 0.100 nan 8.280 nan 0.000 0.503 158 S N 0.384 116.001 115.700 -0.139 0.000 2.359 158 S HA -0.155 4.315 4.470 -0.000 0.000 0.222 158 S C 2.204 176.709 174.600 -0.157 0.000 1.038 158 S CA 1.323 59.394 58.200 -0.215 0.000 1.051 158 S CB -0.441 62.585 63.200 -0.290 0.000 0.944 158 S HN 0.259 nan 8.310 nan 0.000 0.433 159 L N 1.791 122.933 121.223 -0.135 0.000 2.265 159 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 159 L C 2.700 179.512 176.870 -0.096 0.000 1.117 159 L CA 1.251 56.038 54.840 -0.087 0.000 0.782 159 L CB -0.818 41.195 42.059 -0.076 0.000 0.914 159 L HN 0.458 nan 8.230 nan 0.000 0.441 160 S N -1.075 114.538 115.700 -0.144 0.000 2.387 160 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 160 S C 1.942 176.447 174.600 -0.159 0.000 1.026 160 S CA 0.519 58.621 58.200 -0.163 0.000 0.972 160 S CB -0.175 62.898 63.200 -0.212 0.000 0.814 160 S HN 0.370 nan 8.310 nan 0.000 0.477 161 Q N 1.333 121.047 119.800 -0.142 0.000 2.119 161 Q HA 0.139 4.479 4.340 -0.000 0.000 0.201 161 Q C 2.612 178.665 176.000 0.087 0.000 0.972 161 Q CA 1.530 57.306 55.803 -0.044 0.000 0.847 161 Q CB -0.930 27.786 28.738 -0.037 0.000 0.903 161 Q HN 0.725 nan 8.270 nan 0.000 0.433 162 A N 1.068 123.939 122.820 0.086 0.000 1.858 162 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 162 A C 2.146 179.787 177.584 0.095 0.000 1.190 162 A CA 1.220 53.368 52.037 0.186 0.000 0.617 162 A CB -0.769 18.309 19.000 0.130 0.000 0.827 162 A HN 0.328 nan 8.150 nan 0.000 0.443 163 I N -0.438 120.125 120.570 -0.013 0.000 2.423 163 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 163 I C 2.517 178.539 176.117 -0.158 0.000 1.151 163 I CA 1.868 63.130 61.300 -0.064 0.000 1.421 163 I CB -0.237 37.710 38.000 -0.088 0.000 1.079 163 I HN 0.456 nan 8.210 nan 0.000 0.431 164 K N 0.605 120.841 120.400 -0.274 0.000 2.057 164 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 164 K C 1.856 178.015 176.600 -0.735 0.000 1.050 164 K CA 1.646 57.590 56.287 -0.572 0.000 0.935 164 K CB -0.143 31.868 32.500 -0.815 0.000 0.715 164 K HN 0.278 nan 8.250 nan 0.000 0.439 165 W N 0.687 121.828 121.300 -0.265 0.000 2.683 165 W HA 0.129 4.789 4.660 -0.000 0.000 0.267 165 W C 0.183 176.401 176.519 -0.501 0.000 1.243 165 W CA -0.532 56.501 57.345 -0.520 0.000 1.380 165 W CB 0.111 28.994 29.460 -0.963 0.000 1.063 165 W HN 0.046 nan 8.180 nan 0.000 0.599 166 D N -0.298 120.086 120.400 -0.026 0.000 2.313 166 D HA 0.225 4.865 4.640 -0.000 0.000 0.239 166 D C 1.461 177.814 176.300 0.088 0.000 1.142 166 D CA 0.187 54.308 54.000 0.201 0.000 0.847 166 D CB 1.485 42.551 40.800 0.444 0.000 1.082 166 D HN 0.058 nan 8.370 nan 0.000 0.480 167 G N 2.097 110.943 108.800 0.078 0.000 2.509 167 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 167 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 167 G C 1.290 176.213 174.900 0.038 0.000 1.124 167 G CA 0.166 45.287 45.100 0.034 0.000 0.776 167 G HN 0.502 nan 8.290 nan 0.000 0.547 168 S N 0.095 115.837 115.700 0.071 0.000 2.561 168 S HA 0.170 4.640 4.470 -0.000 0.000 0.225 168 S C 0.962 175.585 174.600 0.039 0.000 0.977 168 S CA -0.006 58.226 58.200 0.054 0.000 0.926 168 S CB 0.159 63.402 63.200 0.071 0.000 0.769 168 S HN 0.250 nan 8.310 nan 0.000 0.533 169 S N 0.178 115.902 115.700 0.041 0.000 2.578 169 S HA 0.840 5.310 4.470 -0.000 0.000 0.301 169 S C 0.318 174.910 174.600 -0.014 0.000 1.091 169 S CA -0.460 57.753 58.200 0.022 0.000 1.032 169 S CB 1.953 65.181 63.200 0.047 0.000 1.064 169 S HN 0.525 nan 8.310 nan 0.000 0.508 170 G N -0.381 108.403 108.800 -0.027 0.000 2.327 170 G HA2 0.563 4.523 3.960 -0.000 0.000 0.291 170 G HA3 0.563 4.523 3.960 -0.000 0.000 0.291 170 G C -0.087 174.786 174.900 -0.046 0.000 1.290 170 G CA 0.340 45.412 45.100 -0.048 0.000 0.857 170 G HN 1.597 nan 8.290 nan 0.000 0.520 171 G N -1.874 106.894 108.800 -0.054 0.000 2.520 171 G HA2 0.310 4.270 3.960 -0.000 0.000 0.248 171 G HA3 0.310 4.270 3.960 -0.000 0.000 0.248 171 G C 0.653 175.525 174.900 -0.047 0.000 1.161 171 G CA 1.405 46.476 45.100 -0.048 0.000 0.946 171 G HN 2.367 nan 8.290 nan 0.000 0.565 172 V N -0.927 118.964 119.914 -0.037 0.000 2.975 172 V HA 0.845 4.965 4.120 -0.000 0.000 0.318 172 V C 0.731 176.804 176.094 -0.035 0.000 1.077 172 V CA -1.149 61.129 62.300 -0.038 0.000 1.000 172 V CB 1.686 33.492 31.823 -0.029 0.000 1.066 172 V HN 0.917 nan 8.190 nan 0.000 0.452 173 I N 2.290 122.835 120.570 -0.041 0.000 2.359 173 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 173 I C 0.308 176.408 176.117 -0.029 0.000 0.987 173 I CA -0.459 60.818 61.300 -0.039 0.000 1.225 173 I CB 1.372 39.339 38.000 -0.055 0.000 1.366 173 I HN 0.658 nan 8.210 nan 0.000 0.466 174 R N 6.697 127.187 120.500 -0.017 0.000 2.589 174 R HA 0.769 5.109 4.340 -0.000 0.000 0.293 174 R C -0.966 175.322 176.300 -0.020 0.000 0.963 174 R CA -0.781 55.312 56.100 -0.012 0.000 0.905 174 R CB 2.462 32.768 30.300 0.011 0.000 1.144 174 R HN 0.543 nan 8.270 nan 0.000 0.459 175 M N 1.392 120.969 119.600 -0.037 0.000 2.593 175 M HA 0.492 4.972 4.480 -0.000 0.000 0.290 175 M C -1.307 174.929 176.300 -0.107 0.000 1.244 175 M CA -1.084 54.181 55.300 -0.057 0.000 0.857 175 M CB 2.968 35.533 32.600 -0.057 0.000 1.738 175 M HN 0.220 nan 8.290 nan 0.000 0.461 176 V N 2.350 122.171 119.914 -0.155 0.000 2.524 176 V HA 0.406 4.526 4.120 -0.000 0.000 0.297 176 V C -0.913 175.038 176.094 -0.238 0.000 1.035 176 V CA -0.781 61.334 62.300 -0.308 0.000 0.867 176 V CB 2.143 33.614 31.823 -0.587 0.000 1.004 176 V HN 0.617 nan 8.190 nan 0.000 0.426 177 V N 6.330 126.125 119.914 -0.197 0.000 2.383 177 V HA 0.478 4.598 4.120 -0.000 0.000 0.275 177 V C -0.477 175.550 176.094 -0.111 0.000 1.036 177 V CA -0.557 61.690 62.300 -0.088 0.000 0.889 177 V CB 1.440 33.234 31.823 -0.048 0.000 0.985 177 V HN 0.535 nan 8.190 nan 0.000 0.459 178 L N 6.160 127.361 121.223 -0.036 0.000 2.318 178 L HA 0.721 5.061 4.340 -0.000 0.000 0.277 178 L C 0.366 177.151 176.870 -0.141 0.000 1.008 178 L CA 0.427 55.239 54.840 -0.048 0.000 0.846 178 L CB 1.404 43.494 42.059 0.052 0.000 1.220 178 L HN 0.997 nan 8.230 nan 0.000 0.423 179 T N -1.077 113.242 114.554 -0.391 0.000 2.696 179 T HA 0.667 5.017 4.350 -0.000 0.000 0.291 179 T C 0.964 175.006 174.700 -1.096 0.000 1.095 179 T CA -0.093 61.475 62.100 -0.887 0.000 1.026 179 T CB 1.242 69.889 68.868 -0.369 0.000 1.390 179 T HN 0.256 nan 8.240 nan 0.000 0.513 180 A N 0.223 122.426 122.820 -1.028 0.000 2.019 180 A HA 0.475 4.795 4.320 -0.000 0.000 0.219 180 A C 1.608 179.098 177.584 -0.156 0.000 1.164 180 A CA 1.251 53.075 52.037 -0.354 0.000 0.644 180 A CB -1.472 17.506 19.000 -0.036 0.000 0.805 180 A HN 1.359 nan 8.150 nan 0.000 0.449 184 V N 0.957 120.858 119.914 -0.022 0.000 2.531 184 V HA 0.687 4.806 4.120 -0.000 0.000 0.301 184 V C -0.631 175.416 176.094 -0.078 0.000 1.034 184 V CA -0.530 61.730 62.300 -0.066 0.000 0.865 184 V CB 1.556 33.380 31.823 0.002 0.000 0.995 184 V HN 0.766 nan 8.190 nan 0.000 0.424 185 E N 4.211 124.336 120.200 -0.124 0.000 2.224 185 E HA 0.483 4.833 4.350 -0.000 0.000 0.265 185 E C -0.931 175.589 176.600 -0.132 0.000 0.878 185 E CA -0.897 55.445 56.400 -0.096 0.000 0.759 185 E CB 1.499 31.157 29.700 -0.070 0.000 1.164 185 E HN 0.499 nan 8.360 nan 0.000 0.414 186 R N 4.313 124.757 120.500 -0.094 0.000 2.265 186 R HA 0.473 4.813 4.340 -0.000 0.000 0.319 186 R C -0.327 175.938 176.300 -0.058 0.000 1.006 186 R CA -0.328 55.720 56.100 -0.087 0.000 0.880 186 R CB 0.767 31.045 30.300 -0.037 0.000 1.077 186 R HN 0.544 nan 8.270 nan 0.000 0.454 187 L N 0.000 121.187 121.223 -0.060 0.000 2.949 187 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 187 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 187 L CB 0.000 42.026 42.059 -0.054 0.000 0.961 187 L HN 0.000 nan 8.230 nan 0.000 0.502