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 3mp5_1_E DATA FIRST_RESID 28 DATA SEQUENCE TLPKRVKIVE VGPMDGLQNE KNIVSTPVKI KLIDMLSEAG LSVIETTSFV DATA SEQUENCE SPKWVPQMGD HTEVLKGIQK FPGINYPVLT PNLKGFEAAV AAGAKEVVIF DATA SEQUENCE GAASELFTKK NINCSIEESF QRFDAILKAA QSANISVRGY VSCALGCPYE DATA SEQUENCE GKISPAKVAE VTKKFYSMGC YEISLGDTIG VGTPGIMKDM LSAVMQEVPL DATA SEQUENCE AALAVHCHDT YGQALANTLM ALQMGVSVVD SSVAGLGGCP YAQGASGNLA DATA SEQUENCE TEDLVYMLEG LGIHTGVNLQ KLLEAGNFIC QALNRKTSSK VAQATC 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 28 T HA 0.000 nan 4.350 nan 0.000 0.228 28 T C 0.000 174.698 174.700 -0.003 0.000 1.109 28 T CA 0.000 62.097 62.100 -0.004 0.000 1.349 28 T CB 0.000 68.866 68.868 -0.004 0.000 0.612 29 L N 4.169 125.390 121.223 -0.003 0.000 2.628 29 L HA 0.253 4.593 4.340 -0.000 0.000 0.274 29 L C -1.572 175.298 176.870 0.001 0.000 1.209 29 L CA -1.145 53.694 54.840 -0.001 0.000 0.930 29 L CB -0.125 41.933 42.059 -0.002 0.000 1.183 29 L HN 0.520 nan 8.230 nan 0.000 0.492 30 P HA 0.060 nan 4.420 nan 0.000 0.272 30 P C -0.279 177.029 177.300 0.014 0.000 1.223 30 P CA -0.342 62.763 63.100 0.008 0.000 0.784 30 P CB 0.987 32.694 31.700 0.010 0.000 0.923 31 K N 0.719 121.128 120.400 0.016 0.000 2.361 31 K HA 0.069 4.389 4.320 -0.000 0.000 0.196 31 K C 0.720 177.351 176.600 0.052 0.000 1.039 31 K CA 0.621 56.922 56.287 0.023 0.000 1.001 31 K CB 0.217 32.722 32.500 0.008 0.000 0.795 31 K HN 0.410 nan 8.250 nan 0.000 0.495 32 R N 0.435 120.967 120.500 0.054 0.000 2.621 32 R HA 0.404 4.744 4.340 -0.000 0.000 0.284 32 R C -1.416 174.928 176.300 0.072 0.000 0.998 32 R CA -0.623 55.538 56.100 0.102 0.000 0.895 32 R CB 2.631 32.982 30.300 0.086 0.000 1.195 32 R HN -0.199 nan 8.270 nan 0.000 0.450 33 V N 2.617 122.574 119.914 0.071 0.000 2.540 33 V HA 0.333 4.453 4.120 -0.000 0.000 0.302 33 V C -0.345 175.769 176.094 0.034 0.000 1.035 33 V CA -0.833 61.488 62.300 0.035 0.000 0.873 33 V CB 2.019 33.848 31.823 0.010 0.000 0.992 33 V HN 0.573 nan 8.190 nan 0.000 0.428 34 K N 5.774 126.190 120.400 0.028 0.000 2.299 34 K HA 0.479 4.798 4.320 -0.000 0.000 0.268 34 K C -0.641 175.958 176.600 -0.002 0.000 1.075 34 K CA -0.389 55.910 56.287 0.021 0.000 0.936 34 K CB 0.501 33.022 32.500 0.035 0.000 1.228 34 K HN 0.621 nan 8.250 nan 0.000 0.454 35 I N 4.004 124.562 120.570 -0.020 0.000 2.496 35 I HA 0.041 4.211 4.170 -0.000 0.000 0.285 35 I C -0.010 176.082 176.117 -0.042 0.000 1.080 35 I CA -0.614 60.665 61.300 -0.036 0.000 1.404 35 I CB 1.376 39.349 38.000 -0.046 0.000 1.403 35 I HN 0.182 nan 8.210 nan 0.000 0.539 36 V N 5.801 125.685 119.914 -0.051 0.000 2.313 36 V HA 0.152 4.272 4.120 -0.000 0.000 0.278 36 V C 0.105 176.149 176.094 -0.084 0.000 1.017 36 V CA -0.626 61.639 62.300 -0.058 0.000 0.823 36 V CB 1.238 33.033 31.823 -0.048 0.000 1.010 36 V HN 0.636 nan 8.190 nan 0.000 0.443 37 E N 4.092 124.247 120.200 -0.075 0.000 2.257 37 E HA 0.210 4.560 4.350 -0.000 0.000 0.278 37 E C 0.516 177.072 176.600 -0.072 0.000 1.049 37 E CA -0.055 56.301 56.400 -0.073 0.000 0.876 37 E CB 1.394 31.061 29.700 -0.055 0.000 1.035 37 E HN 0.533 nan 8.360 nan 0.000 0.419 38 V N 2.325 122.179 119.914 -0.100 0.000 3.528 38 V HA 0.398 4.518 4.120 -0.000 0.000 0.294 38 V C 1.492 177.551 176.094 -0.059 0.000 1.404 38 V CA 0.582 62.823 62.300 -0.098 0.000 1.065 38 V CB 0.224 31.933 31.823 -0.189 0.000 0.904 38 V HN 0.584 nan 8.190 nan 0.000 0.435 39 G N 2.575 111.349 108.800 -0.044 0.000 2.553 39 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 39 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 39 G C 0.250 175.151 174.900 0.001 0.000 1.195 39 G CA 1.675 46.764 45.100 -0.018 0.000 0.779 39 G HN 0.611 nan 8.290 nan 0.000 0.577 40 P HA -0.085 nan 4.420 nan 0.000 0.223 40 P C 1.563 178.874 177.300 0.019 0.000 1.144 40 P CA 1.211 64.326 63.100 0.026 0.000 0.783 40 P CB 0.092 31.818 31.700 0.043 0.000 0.771 41 M N -0.587 119.018 119.600 0.009 0.000 2.935 41 M HA 0.065 4.545 4.480 -0.000 0.000 0.213 41 M C 1.737 178.035 176.300 -0.003 0.000 1.427 41 M CA 1.093 56.396 55.300 0.005 0.000 1.367 41 M CB -0.979 31.624 32.600 0.005 0.000 1.038 41 M HN -0.245 nan 8.290 nan 0.000 0.547 42 D N -0.070 120.320 120.400 -0.017 0.000 2.117 42 D HA -0.094 4.545 4.640 -0.000 0.000 0.197 42 D C 1.620 177.939 176.300 0.032 0.000 0.987 42 D CA 1.608 55.610 54.000 0.003 0.000 0.829 42 D CB 0.107 40.907 40.800 0.001 0.000 0.961 42 D HN 0.581 nan 8.370 nan 0.000 0.460 43 G N 0.940 109.749 108.800 0.015 0.000 2.484 43 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 43 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 43 G C 1.629 176.543 174.900 0.023 0.000 1.219 43 G CA 0.241 45.356 45.100 0.024 0.000 0.791 43 G HN 0.173 nan 8.290 nan 0.000 0.550 44 L N 0.694 121.925 121.223 0.014 0.000 2.046 44 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 44 L C 2.890 179.769 176.870 0.015 0.000 1.077 44 L CA 1.992 56.839 54.840 0.011 0.000 0.747 44 L CB -0.950 41.115 42.059 0.010 0.000 0.896 44 L HN 0.425 nan 8.230 nan 0.000 0.432 45 Q N -0.470 119.341 119.800 0.018 0.000 2.181 45 Q HA -0.220 4.120 4.340 -0.000 0.000 0.205 45 Q C 0.955 176.971 176.000 0.027 0.000 0.980 45 Q CA 1.954 57.770 55.803 0.022 0.000 0.862 45 Q CB 0.023 28.772 28.738 0.019 0.000 0.905 45 Q HN 0.565 nan 8.270 nan 0.000 0.429 46 N N 0.062 118.781 118.700 0.033 0.000 2.214 46 N HA 0.072 4.812 4.740 -0.000 0.000 0.214 46 N C -0.986 174.542 175.510 0.030 0.000 1.132 46 N CA -0.163 52.909 53.050 0.038 0.000 0.856 46 N CB 0.717 39.238 38.487 0.058 0.000 1.020 46 N HN 0.142 nan 8.380 nan 0.000 0.509 47 E N 0.749 120.962 120.200 0.021 0.000 2.319 47 E HA 0.195 4.545 4.350 -0.000 0.000 0.268 47 E C 0.601 177.205 176.600 0.006 0.000 1.050 47 E CA -0.076 56.331 56.400 0.012 0.000 0.878 47 E CB 0.835 30.538 29.700 0.004 0.000 1.066 47 E HN -0.022 nan 8.360 nan 0.000 0.406 48 K N 1.574 121.974 120.400 0.001 0.000 2.103 48 K HA 0.039 4.359 4.320 -0.000 0.000 0.204 48 K C 0.064 176.660 176.600 -0.007 0.000 1.052 48 K CA 0.593 56.878 56.287 -0.003 0.000 0.945 48 K CB -0.009 32.487 32.500 -0.006 0.000 0.722 48 K HN 0.410 nan 8.250 nan 0.000 0.443 49 N N 1.146 119.838 118.700 -0.012 0.000 2.495 49 N HA 0.261 5.001 4.740 -0.000 0.000 0.280 49 N C -0.046 175.453 175.510 -0.018 0.000 1.168 49 N CA -0.403 52.636 53.050 -0.018 0.000 0.978 49 N CB 1.107 39.578 38.487 -0.026 0.000 1.191 49 N HN 0.090 nan 8.380 nan 0.000 0.497 50 I N -2.345 118.213 120.570 -0.020 0.000 2.863 50 I HA 0.780 4.950 4.170 -0.000 0.000 0.311 50 I C -0.087 176.012 176.117 -0.030 0.000 1.026 50 I CA -1.141 60.147 61.300 -0.020 0.000 1.077 50 I CB 1.832 39.824 38.000 -0.014 0.000 1.262 50 I HN 0.222 nan 8.210 nan 0.000 0.461 51 V N 0.013 119.911 119.914 -0.028 0.000 3.130 51 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 51 V C 0.217 176.300 176.094 -0.019 0.000 1.158 51 V CA -0.456 61.823 62.300 -0.034 0.000 1.029 51 V CB 1.122 32.916 31.823 -0.049 0.000 1.057 51 V HN 1.067 nan 8.190 nan 0.000 0.436 52 S N 0.884 116.576 115.700 -0.014 0.000 2.596 52 S HA 0.184 4.654 4.470 -0.000 0.000 0.260 52 S C 1.073 175.676 174.600 0.005 0.000 1.336 52 S CA 0.535 58.732 58.200 -0.005 0.000 0.993 52 S CB 0.697 63.898 63.200 0.002 0.000 0.923 52 S HN 0.971 nan 8.310 nan 0.000 0.567 53 T N 2.921 117.474 114.554 -0.002 0.000 2.708 53 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 53 T C -0.727 173.986 174.700 0.020 0.000 1.037 53 T CA 1.573 63.671 62.100 -0.002 0.000 1.146 53 T CB -1.419 67.438 68.868 -0.020 0.000 0.865 53 T HN 0.692 nan 8.240 nan 0.000 0.435 54 P HA -0.026 nan 4.420 nan 0.000 0.216 54 P C 1.605 178.964 177.300 0.097 0.000 1.150 54 P CA 0.870 63.999 63.100 0.048 0.000 0.837 54 P CB -0.246 31.481 31.700 0.045 0.000 0.786 55 V N 0.913 120.902 119.914 0.125 0.000 2.358 55 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 55 V C 2.683 178.911 176.094 0.225 0.000 1.047 55 V CA 1.871 64.314 62.300 0.238 0.000 1.035 55 V CB -1.091 30.796 31.823 0.107 0.000 0.658 55 V HN 0.137 nan 8.190 nan 0.000 0.452 56 K N -0.104 120.362 120.400 0.111 0.000 2.009 56 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 56 K C 2.085 178.731 176.600 0.077 0.000 1.049 56 K CA 1.783 58.121 56.287 0.084 0.000 0.929 56 K CB -0.370 32.153 32.500 0.038 0.000 0.714 56 K HN 0.374 nan 8.250 nan 0.000 0.440 57 I N 1.346 121.946 120.570 0.051 0.000 2.163 57 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 57 I C 2.639 178.762 176.117 0.010 0.000 1.085 57 I CA 1.327 62.640 61.300 0.021 0.000 1.347 57 I CB -0.261 37.743 38.000 0.008 0.000 1.044 57 I HN 0.202 nan 8.210 nan 0.000 0.408 58 K N 0.904 121.311 120.400 0.012 0.000 2.097 58 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 58 K C 2.204 178.725 176.600 -0.132 0.000 1.049 58 K CA 1.324 57.549 56.287 -0.104 0.000 0.933 58 K CB -0.095 32.276 32.500 -0.215 0.000 0.717 58 K HN 0.120 nan 8.250 nan 0.000 0.442 59 L N 1.680 122.935 121.223 0.053 0.000 1.994 59 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 59 L C 1.917 178.801 176.870 0.024 0.000 1.071 59 L CA 1.665 56.571 54.840 0.109 0.000 0.745 59 L CB -0.416 41.769 42.059 0.210 0.000 0.892 59 L HN 0.224 nan 8.230 nan 0.000 0.431 60 I N -0.269 120.318 120.570 0.028 0.000 2.179 60 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 60 I C 2.113 178.213 176.117 -0.028 0.000 1.088 60 I CA 1.419 62.734 61.300 0.025 0.000 1.357 60 I CB -0.738 37.291 38.000 0.048 0.000 1.051 60 I HN 0.280 nan 8.210 nan 0.000 0.409 61 D N 0.787 121.160 120.400 -0.045 0.000 2.123 61 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 61 D C 2.281 178.496 176.300 -0.143 0.000 0.992 61 D CA 1.496 55.456 54.000 -0.067 0.000 0.833 61 D CB -0.221 40.577 40.800 -0.003 0.000 0.954 61 D HN 0.335 nan 8.370 nan 0.000 0.455 62 M N -0.228 119.295 119.600 -0.129 0.000 2.159 62 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 62 M C 2.180 178.406 176.300 -0.124 0.000 1.063 62 M CA 0.906 56.127 55.300 -0.132 0.000 1.110 62 M CB -0.070 32.442 32.600 -0.147 0.000 1.374 62 M HN 0.002 nan 8.290 nan 0.000 0.411 63 L N -1.161 119.999 121.223 -0.106 0.000 2.109 63 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 63 L C 2.545 179.307 176.870 -0.180 0.000 1.086 63 L CA 0.793 55.574 54.840 -0.099 0.000 0.760 63 L CB -0.541 41.488 42.059 -0.050 0.000 0.910 63 L HN 0.207 nan 8.230 nan 0.000 0.437 64 S N -0.226 115.297 115.700 -0.294 0.000 2.368 64 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 64 S C 1.848 176.059 174.600 -0.649 0.000 1.030 64 S CA 1.360 59.208 58.200 -0.587 0.000 0.999 64 S CB -0.179 62.351 63.200 -1.117 0.000 0.844 64 S HN 0.443 nan 8.310 nan 0.000 0.459 65 E N 1.095 120.991 120.200 -0.507 0.000 2.150 65 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 65 E C 2.131 178.671 176.600 -0.101 0.000 0.985 65 E CA 0.859 57.141 56.400 -0.197 0.000 0.814 65 E CB -0.194 29.471 29.700 -0.058 0.000 0.752 65 E HN 0.509 nan 8.360 nan 0.000 0.466 66 A N 0.030 122.781 122.820 -0.116 0.000 2.121 66 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 66 A C 1.892 179.435 177.584 -0.068 0.000 1.154 66 A CA 1.283 53.278 52.037 -0.070 0.000 0.679 66 A CB -0.317 18.645 19.000 -0.063 0.000 0.795 66 A HN 0.392 nan 8.150 nan 0.000 0.458 67 G N -2.341 106.403 108.800 -0.093 0.000 2.201 67 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.212 67 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.212 67 G C 0.006 174.859 174.900 -0.079 0.000 0.994 67 G CA -0.081 44.978 45.100 -0.067 0.000 0.644 67 G HN 0.269 nan 8.290 nan 0.000 0.508 68 L N 2.346 123.510 121.223 -0.098 0.000 2.578 68 L HA 0.216 4.556 4.340 -0.000 0.000 0.279 68 L C 2.070 178.873 176.870 -0.113 0.000 1.227 68 L CA 1.593 56.375 54.840 -0.097 0.000 0.900 68 L CB 0.768 42.769 42.059 -0.098 0.000 1.144 68 L HN 0.591 nan 8.230 nan 0.000 0.496 69 S N 2.412 118.059 115.700 -0.090 0.000 2.528 69 S HA 0.065 4.535 4.470 -0.000 0.000 0.219 69 S C 0.411 174.919 174.600 -0.153 0.000 0.985 69 S CA -0.023 58.121 58.200 -0.094 0.000 0.914 69 S CB 0.402 63.581 63.200 -0.036 0.000 0.776 69 S HN 0.428 nan 8.310 nan 0.000 0.526 70 V N 1.217 121.042 119.914 -0.148 0.000 2.612 70 V HA 0.611 4.731 4.120 -0.000 0.000 0.301 70 V C -1.946 174.062 176.094 -0.142 0.000 1.059 70 V CA -1.060 61.141 62.300 -0.165 0.000 0.886 70 V CB 1.695 33.476 31.823 -0.070 0.000 1.007 70 V HN 0.422 nan 8.190 nan 0.000 0.426 71 I N 5.390 125.858 120.570 -0.170 0.000 2.476 71 I HA 0.433 4.603 4.170 -0.000 0.000 0.281 71 I C 0.087 176.227 176.117 0.039 0.000 1.040 71 I CA -0.453 60.818 61.300 -0.048 0.000 1.094 71 I CB 1.866 39.872 38.000 0.010 0.000 1.219 71 I HN 0.615 nan 8.210 nan 0.000 0.450 72 E N 3.667 123.882 120.200 0.024 0.000 2.415 72 E HA 0.031 4.381 4.350 -0.000 0.000 0.260 72 E C 0.446 177.098 176.600 0.088 0.000 1.016 72 E CA 0.262 56.695 56.400 0.055 0.000 0.924 72 E CB 0.985 30.692 29.700 0.011 0.000 0.961 72 E HN 0.577 nan 8.360 nan 0.000 0.459 73 T N 2.070 116.708 114.554 0.140 0.000 2.739 73 T HA -0.013 4.337 4.350 -0.000 0.000 0.249 73 T C 0.812 175.562 174.700 0.083 0.000 1.050 73 T CA 0.944 63.126 62.100 0.135 0.000 1.165 73 T CB 0.215 69.191 68.868 0.180 0.000 0.872 73 T HN 0.544 nan 8.240 nan 0.000 0.411 74 T N -0.463 114.144 114.554 0.089 0.000 2.626 74 T HA 0.532 4.882 4.350 -0.000 0.000 0.299 74 T C -1.886 172.830 174.700 0.028 0.000 1.181 74 T CA -0.594 61.518 62.100 0.020 0.000 1.053 74 T CB 1.502 70.334 68.868 -0.059 0.000 1.566 74 T HN 0.100 nan 8.240 nan 0.000 0.486 75 S N 0.223 115.882 115.700 -0.069 0.000 2.647 75 S HA 0.589 5.059 4.470 -0.000 0.000 0.300 75 S C -1.232 173.168 174.600 -0.333 0.000 1.129 75 S CA -0.599 57.577 58.200 -0.040 0.000 1.029 75 S CB 0.202 63.416 63.200 0.024 0.000 1.007 75 S HN 0.502 nan 8.310 nan 0.000 0.484 76 F N 4.387 124.196 119.950 -0.236 0.000 2.733 76 F HA 0.315 4.842 4.527 -0.000 0.000 0.344 76 F C 0.526 176.089 175.800 -0.394 0.000 1.179 76 F CA -0.058 57.581 58.000 -0.602 0.000 1.316 76 F CB 0.429 39.244 39.000 -0.308 0.000 1.577 76 F HN 0.370 nan 8.300 nan 0.000 0.591 77 V N 0.250 120.006 119.914 -0.263 0.000 2.850 77 V HA 0.458 4.578 4.120 -0.000 0.000 0.315 77 V C 0.273 176.304 176.094 -0.104 0.000 1.064 77 V CA -0.756 61.512 62.300 -0.053 0.000 0.979 77 V CB 2.019 33.908 31.823 0.110 0.000 1.039 77 V HN 0.271 nan 8.190 nan 0.000 0.452 78 S N 5.151 120.717 115.700 -0.224 0.000 2.563 78 S HA 0.128 4.598 4.470 -0.000 0.000 0.294 78 S C -1.570 172.931 174.600 -0.165 0.000 1.279 78 S CA 0.084 58.060 58.200 -0.374 0.000 1.069 78 S CB 0.740 63.266 63.200 -1.123 0.000 0.828 78 S HN 0.741 nan 8.310 nan 0.000 0.497 79 P HA -0.039 nan 4.420 nan 0.000 0.220 79 P C 1.242 178.535 177.300 -0.012 0.000 1.148 79 P CA 0.762 63.855 63.100 -0.012 0.000 0.803 79 P CB 0.178 31.862 31.700 -0.026 0.000 0.782 80 K N -1.568 118.784 120.400 -0.081 0.000 2.155 80 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 80 K C 1.641 178.381 176.600 0.234 0.000 1.052 80 K CA 1.118 57.419 56.287 0.022 0.000 0.948 80 K CB -0.576 31.907 32.500 -0.028 0.000 0.728 80 K HN 0.295 nan 8.250 nan 0.000 0.448 81 W N -0.035 121.295 121.300 0.049 0.000 2.640 81 W HA 0.163 4.823 4.660 -0.000 0.000 0.268 81 W C 0.649 177.195 176.519 0.046 0.000 1.263 81 W CA -0.281 57.092 57.345 0.048 0.000 1.344 81 W CB -0.207 29.289 29.460 0.060 0.000 1.093 81 W HN -0.278 nan 8.180 nan 0.000 0.603 82 V N 3.297 123.351 119.914 0.232 0.000 2.818 82 V HA 0.216 4.336 4.120 -0.000 0.000 0.256 82 V C -1.679 174.471 176.094 0.092 0.000 0.925 82 V CA -1.313 61.075 62.300 0.148 0.000 0.908 82 V CB 1.666 33.580 31.823 0.152 0.000 1.052 82 V HN -0.279 nan 8.190 nan 0.000 0.498 83 P HA -0.145 nan 4.420 nan 0.000 0.223 83 P C 1.051 178.364 177.300 0.021 0.000 1.151 83 P CA 1.154 64.275 63.100 0.035 0.000 0.787 83 P CB 0.427 32.143 31.700 0.027 0.000 0.788 84 Q N -0.792 119.025 119.800 0.027 0.000 2.308 84 Q HA -0.068 4.272 4.340 -0.000 0.000 0.209 84 Q C 1.836 177.842 176.000 0.010 0.000 0.985 84 Q CA 1.349 57.161 55.803 0.015 0.000 0.881 84 Q CB -0.652 28.098 28.738 0.020 0.000 0.917 84 Q HN 0.288 nan 8.270 nan 0.000 0.443 85 M N -1.112 118.504 119.600 0.027 0.000 2.356 85 M HA 0.269 4.749 4.480 -0.000 0.000 0.262 85 M C 1.451 177.783 176.300 0.054 0.000 1.097 85 M CA 0.384 55.703 55.300 0.033 0.000 0.991 85 M CB 0.048 32.676 32.600 0.046 0.000 1.450 85 M HN 0.297 nan 8.290 nan 0.000 0.495 86 G N 2.035 110.834 108.800 -0.001 0.000 2.499 86 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.221 86 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.221 86 G C 0.693 175.387 174.900 -0.345 0.000 1.109 86 G CA 1.136 46.175 45.100 -0.102 0.000 0.749 86 G HN 0.601 nan 8.290 nan 0.000 0.568 87 D N 0.042 120.292 120.400 -0.251 0.000 2.434 87 D HA 0.066 4.706 4.640 -0.000 0.000 0.232 87 D C 1.417 177.529 176.300 -0.314 0.000 1.166 87 D CA -0.088 53.747 54.000 -0.275 0.000 0.830 87 D CB -0.881 39.838 40.800 -0.136 0.000 0.960 87 D HN 0.597 nan 8.370 nan 0.000 0.497 88 H N -0.976 117.927 119.070 -0.278 0.000 2.319 88 H HA -0.140 4.416 4.556 -0.000 0.000 0.297 88 H C 1.549 176.630 175.328 -0.412 0.000 1.097 88 H CA 1.967 57.703 56.048 -0.519 0.000 1.285 88 H CB -1.187 27.950 29.762 -1.041 0.000 1.368 88 H HN -0.012 nan 8.280 nan 0.000 0.495 89 T N 1.353 115.783 114.554 -0.206 0.000 2.652 89 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 89 T C 1.773 176.516 174.700 0.073 0.000 1.039 89 T CA 1.785 63.991 62.100 0.177 0.000 1.153 89 T CB -0.200 68.762 68.868 0.156 0.000 0.863 89 T HN 0.639 nan 8.240 nan 0.000 0.428 90 E N 1.183 121.360 120.200 -0.039 0.000 2.110 90 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 90 E C 2.401 178.992 176.600 -0.014 0.000 0.988 90 E CA 0.815 57.198 56.400 -0.027 0.000 0.804 90 E CB -0.920 28.745 29.700 -0.057 0.000 0.745 90 E HN 0.365 nan 8.360 nan 0.000 0.458 91 V N 1.787 121.685 119.914 -0.027 0.000 2.261 91 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 91 V C 2.493 178.593 176.094 0.010 0.000 1.047 91 V CA 1.639 63.932 62.300 -0.012 0.000 1.015 91 V CB -0.604 31.208 31.823 -0.019 0.000 0.642 91 V HN 0.143 nan 8.190 nan 0.000 0.446 92 L N 0.166 121.426 121.223 0.062 0.000 2.046 92 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 92 L C 2.372 179.258 176.870 0.026 0.000 1.077 92 L CA 1.978 56.869 54.840 0.086 0.000 0.747 92 L CB -0.723 41.488 42.059 0.253 0.000 0.896 92 L HN 0.228 nan 8.230 nan 0.000 0.432 93 K N -0.940 119.486 120.400 0.043 0.000 2.097 93 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 93 K C 1.938 178.529 176.600 -0.016 0.000 1.050 93 K CA 1.045 57.339 56.287 0.012 0.000 0.938 93 K CB -0.550 31.964 32.500 0.023 0.000 0.718 93 K HN 0.524 nan 8.250 nan 0.000 0.442 94 G N 2.242 111.033 108.800 -0.015 0.000 2.484 94 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.218 94 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.218 94 G C 0.886 175.764 174.900 -0.036 0.000 1.130 94 G CA 0.119 45.206 45.100 -0.022 0.000 0.784 94 G HN 0.310 nan 8.290 nan 0.000 0.543 95 I N -1.644 118.886 120.570 -0.066 0.000 2.720 95 I HA 0.385 4.555 4.170 -0.000 0.000 0.287 95 I C -0.189 175.866 176.117 -0.104 0.000 1.090 95 I CA -0.913 60.331 61.300 -0.094 0.000 1.384 95 I CB 0.742 38.635 38.000 -0.179 0.000 1.420 95 I HN -0.073 nan 8.210 nan 0.000 0.575 96 Q N 3.792 123.582 119.800 -0.017 0.000 2.332 96 Q HA 0.208 4.548 4.340 -0.000 0.000 0.263 96 Q C -0.802 175.224 176.000 0.044 0.000 0.979 96 Q CA -0.454 55.381 55.803 0.055 0.000 0.885 96 Q CB 0.783 29.658 28.738 0.227 0.000 1.218 96 Q HN 0.379 nan 8.270 nan 0.000 0.405 97 K N 3.286 123.692 120.400 0.010 0.000 2.231 97 K HA 0.218 4.537 4.320 -0.000 0.000 0.255 97 K C -0.660 176.095 176.600 0.258 0.000 1.108 97 K CA -0.186 56.148 56.287 0.079 0.000 0.997 97 K CB -0.201 32.319 32.500 0.034 0.000 1.549 97 K HN 0.378 nan 8.250 nan 0.000 0.419 98 F N 2.596 122.676 119.950 0.215 0.000 2.545 98 F HA 0.091 4.618 4.527 -0.000 0.000 0.348 98 F C -1.292 174.585 175.800 0.129 0.000 1.163 98 F CA -1.698 56.398 58.000 0.160 0.000 1.331 98 F CB -0.247 38.857 39.000 0.173 0.000 1.138 98 F HN 0.280 nan 8.300 nan 0.000 0.602 99 P HA 0.200 nan 4.420 nan 0.000 0.266 99 P C 0.304 177.679 177.300 0.126 0.000 1.215 99 P CA 0.610 63.773 63.100 0.105 0.000 0.763 99 P CB 0.390 32.116 31.700 0.043 0.000 0.806 100 G N 2.918 111.771 108.800 0.089 0.000 2.160 100 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.251 100 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.251 100 G C 0.001 174.919 174.900 0.030 0.000 1.008 100 G CA -0.318 44.814 45.100 0.054 0.000 0.724 100 G HN 0.490 nan 8.290 nan 0.000 0.514 101 I N -0.014 120.575 120.570 0.033 0.000 2.569 101 I HA 0.334 4.504 4.170 -0.000 0.000 0.296 101 I C 0.059 175.984 176.117 -0.319 0.000 1.028 101 I CA -0.918 60.298 61.300 -0.139 0.000 1.082 101 I CB 1.918 39.837 38.000 -0.135 0.000 1.264 101 I HN 0.095 nan 8.210 nan 0.000 0.429 102 N N 4.180 122.611 118.700 -0.447 0.000 2.456 102 N HA 0.472 5.212 4.740 -0.000 0.000 0.296 102 N C -1.614 173.511 175.510 -0.641 0.000 1.102 102 N CA -0.556 52.271 53.050 -0.371 0.000 0.924 102 N CB 1.413 39.815 38.487 -0.142 0.000 1.186 102 N HN 0.420 nan 8.380 nan 0.000 0.492 103 Y N 0.639 120.968 120.300 0.049 0.000 2.535 103 Y HA 0.285 4.835 4.550 -0.000 0.000 0.351 103 Y C -2.239 173.702 175.900 0.069 0.000 1.050 103 Y CA -1.805 56.328 58.100 0.055 0.000 1.168 103 Y CB 0.440 38.936 38.460 0.060 0.000 1.116 103 Y HN 0.373 nan 8.280 nan 0.000 0.654 104 P HA 0.250 nan 4.420 nan 0.000 0.272 104 P C -0.444 176.955 177.300 0.165 0.000 1.223 104 P CA 0.012 63.199 63.100 0.144 0.000 0.784 104 P CB 2.340 34.112 31.700 0.121 0.000 0.923 105 V N -0.796 119.223 119.914 0.176 0.000 2.925 105 V HA 0.441 4.561 4.120 -0.000 0.000 0.311 105 V C -0.555 175.672 176.094 0.223 0.000 1.104 105 V CA -1.350 61.087 62.300 0.229 0.000 0.954 105 V CB 1.621 33.678 31.823 0.391 0.000 1.022 105 V HN 0.153 nan 8.190 nan 0.000 0.427 106 L N 3.496 124.854 121.223 0.226 0.000 2.410 106 L HA 0.617 4.957 4.340 -0.000 0.000 0.273 106 L C 0.940 177.982 176.870 0.287 0.000 1.152 106 L CA 0.985 55.975 54.840 0.249 0.000 0.855 106 L CB 1.194 43.395 42.059 0.237 0.000 1.129 106 L HN 1.096 nan 8.230 nan 0.000 0.463 107 T N 0.399 115.119 114.554 0.277 0.000 3.133 107 T HA 0.344 4.694 4.350 -0.000 0.000 0.368 107 T C -1.823 173.025 174.700 0.246 0.000 1.190 107 T CA -1.199 61.061 62.100 0.267 0.000 1.282 107 T CB 1.160 70.201 68.868 0.289 0.000 1.042 107 T HN 0.441 nan 8.240 nan 0.000 0.536 108 P HA -0.025 nan 4.420 nan 0.000 0.226 108 P C -0.049 177.357 177.300 0.177 0.000 1.153 108 P CA 0.772 63.981 63.100 0.181 0.000 0.777 108 P CB 0.065 31.936 31.700 0.286 0.000 0.794 109 N N -2.404 116.413 118.700 0.194 0.000 2.774 109 N HA 0.161 4.901 4.740 -0.000 0.000 0.264 109 N C 0.319 175.933 175.510 0.174 0.000 1.415 109 N CA -0.911 52.237 53.050 0.165 0.000 0.815 109 N CB -0.002 38.581 38.487 0.160 0.000 1.514 109 N HN -0.340 nan 8.380 nan 0.000 0.523 110 L N 0.354 121.658 121.223 0.136 0.000 2.046 110 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 110 L C 2.015 178.991 176.870 0.176 0.000 1.077 110 L CA 1.904 56.831 54.840 0.145 0.000 0.747 110 L CB -0.767 41.341 42.059 0.081 0.000 0.896 110 L HN 0.861 nan 8.230 nan 0.000 0.432 111 K N -1.119 119.357 120.400 0.125 0.000 2.097 111 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 111 K C 1.935 178.598 176.600 0.105 0.000 1.049 111 K CA 1.276 57.623 56.287 0.099 0.000 0.933 111 K CB -0.459 32.079 32.500 0.063 0.000 0.717 111 K HN 0.497 nan 8.250 nan 0.000 0.442 112 G N 0.332 109.208 108.800 0.127 0.000 2.394 112 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 112 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 112 G C 1.301 176.257 174.900 0.094 0.000 1.165 112 G CA 0.455 45.635 45.100 0.133 0.000 0.784 112 G HN 0.391 nan 8.290 nan 0.000 0.535 113 F N 1.602 121.555 119.950 0.005 0.000 2.102 113 F HA -0.043 4.484 4.527 0.000 0.000 0.298 113 F C 2.633 178.373 175.800 -0.099 0.000 1.105 113 F CA 2.075 60.050 58.000 -0.041 0.000 1.239 113 F CB -0.049 38.955 39.000 0.007 0.000 0.991 113 F HN 0.237 nan 8.300 nan 0.000 0.474 114 E N 0.152 120.383 120.200 0.051 0.000 2.153 114 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 114 E C 2.281 178.771 176.600 -0.183 0.000 0.988 114 E CA 0.885 57.249 56.400 -0.060 0.000 0.811 114 E CB -0.351 29.397 29.700 0.081 0.000 0.746 114 E HN 0.535 nan 8.360 nan 0.000 0.466 115 A N 1.230 123.957 122.820 -0.156 0.000 1.968 115 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 115 A C 2.316 179.561 177.584 -0.565 0.000 1.169 115 A CA 1.271 53.228 52.037 -0.134 0.000 0.638 115 A CB -0.354 18.737 19.000 0.151 0.000 0.812 115 A HN 0.278 nan 8.150 nan 0.000 0.446 116 A N -0.311 121.893 122.820 -1.026 0.000 1.855 116 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 116 A C 2.199 179.318 177.584 -0.774 0.000 1.191 116 A CA 1.739 52.866 52.037 -1.517 0.000 0.613 116 A CB -1.050 17.292 19.000 -1.096 0.000 0.829 116 A HN 0.366 nan 8.150 nan 0.000 0.442 117 V N 0.094 119.613 119.914 -0.658 0.000 2.282 117 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 117 V C 3.059 178.995 176.094 -0.263 0.000 1.057 117 V CA 2.154 64.188 62.300 -0.444 0.000 1.032 117 V CB -1.313 30.245 31.823 -0.441 0.000 0.645 117 V HN 0.626 nan 8.190 nan 0.000 0.447 118 A N -0.239 122.446 122.820 -0.224 0.000 1.972 118 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 118 A C 2.166 179.700 177.584 -0.084 0.000 1.169 118 A CA 1.821 53.789 52.037 -0.115 0.000 0.635 118 A CB -0.558 18.401 19.000 -0.069 0.000 0.810 118 A HN 0.642 nan 8.150 nan 0.000 0.446 119 A N -1.811 120.937 122.820 -0.120 0.000 2.278 119 A HA 0.432 4.752 4.320 -0.000 0.000 0.212 119 A C 1.625 179.188 177.584 -0.035 0.000 1.213 119 A CA 1.066 53.093 52.037 -0.016 0.000 0.840 119 A CB -0.951 18.131 19.000 0.137 0.000 0.866 119 A HN 1.867 nan 8.150 nan 0.000 0.489 120 G N -1.768 106.978 108.800 -0.089 0.000 2.132 120 G HA2 0.104 4.064 3.960 -0.000 0.000 0.234 120 G HA3 0.104 4.064 3.960 -0.000 0.000 0.234 120 G C 0.427 175.289 174.900 -0.063 0.000 0.989 120 G CA 0.180 45.243 45.100 -0.062 0.000 0.676 120 G HN 1.611 nan 8.290 nan 0.000 0.522 121 A N -0.370 122.370 122.820 -0.132 0.000 2.540 121 A HA 0.592 4.912 4.320 -0.000 0.000 0.239 121 A C 1.186 178.729 177.584 -0.068 0.000 1.061 121 A CA 1.338 53.314 52.037 -0.103 0.000 0.758 121 A CB 0.269 19.129 19.000 -0.233 0.000 0.991 121 A HN 0.484 nan 8.150 nan 0.000 0.502 122 K N 0.104 120.506 120.400 0.004 0.000 2.391 122 K HA 0.157 4.477 4.320 -0.000 0.000 0.197 122 K C 0.219 176.836 176.600 0.029 0.000 1.087 122 K CA 0.452 56.748 56.287 0.014 0.000 1.012 122 K CB 0.691 33.215 32.500 0.040 0.000 0.925 122 K HN 0.837 nan 8.250 nan 0.000 0.547 123 E N 1.203 121.434 120.200 0.052 0.000 2.321 123 E HA 0.232 4.582 4.350 -0.000 0.000 0.278 123 E C -1.531 175.137 176.600 0.112 0.000 0.902 123 E CA -0.784 55.672 56.400 0.094 0.000 0.758 123 E CB 2.072 31.836 29.700 0.106 0.000 1.213 123 E HN -0.057 nan 8.360 nan 0.000 0.426 124 V N 0.443 120.449 119.914 0.153 0.000 2.960 124 V HA 0.799 4.919 4.120 -0.000 0.000 0.315 124 V C -0.806 175.383 176.094 0.158 0.000 1.087 124 V CA -0.695 61.703 62.300 0.163 0.000 0.982 124 V CB 1.752 33.715 31.823 0.233 0.000 1.039 124 V HN 0.410 nan 8.190 nan 0.000 0.437 125 V N 4.329 124.333 119.914 0.150 0.000 2.540 125 V HA 0.596 4.716 4.120 -0.000 0.000 0.302 125 V C -0.107 176.059 176.094 0.120 0.000 1.035 125 V CA -0.380 61.986 62.300 0.110 0.000 0.873 125 V CB 1.399 33.288 31.823 0.109 0.000 0.992 125 V HN 0.992 nan 8.190 nan 0.000 0.428 126 I N 2.267 122.827 120.570 -0.017 0.000 2.530 126 I HA 0.851 5.021 4.170 -0.000 0.000 0.297 126 I C -0.931 175.119 176.117 -0.112 0.000 1.011 126 I CA -0.636 60.562 61.300 -0.169 0.000 1.107 126 I CB 1.970 39.643 38.000 -0.545 0.000 1.285 126 I HN 0.570 nan 8.210 nan 0.000 0.436 127 F N 2.790 122.785 119.950 0.074 0.000 2.532 127 F HA 1.001 5.528 4.527 -0.000 0.000 0.321 127 F C 0.083 176.195 175.800 0.520 0.000 1.089 127 F CA -0.623 57.546 58.000 0.283 0.000 0.926 127 F CB 1.299 40.515 39.000 0.360 0.000 1.168 127 F HN 0.718 nan 8.300 nan 0.000 0.459 128 G N 0.344 109.555 108.800 0.686 0.000 3.251 128 G HA2 0.877 4.837 3.960 -0.000 0.000 0.248 128 G HA3 0.877 4.837 3.960 -0.000 0.000 0.248 128 G C -1.912 173.211 174.900 0.371 0.000 1.320 128 G CA -0.720 44.674 45.100 0.490 0.000 0.982 128 G HN 1.248 nan 8.290 nan 0.000 0.575 129 A N -2.413 120.537 122.820 0.218 0.000 2.612 129 A HA 0.738 5.058 4.320 -0.000 0.000 0.293 129 A C 0.235 177.878 177.584 0.098 0.000 1.075 129 A CA 0.396 52.501 52.037 0.113 0.000 0.680 129 A CB 1.103 20.182 19.000 0.131 0.000 1.279 129 A HN 1.928 nan 8.150 nan 0.000 0.411 130 A N 0.166 122.999 122.820 0.021 0.000 2.275 130 A HA 0.514 4.833 4.320 -0.000 0.000 0.212 130 A C 0.972 178.580 177.584 0.041 0.000 1.201 130 A CA 1.076 53.137 52.037 0.039 0.000 0.843 130 A CB -0.335 18.662 19.000 -0.005 0.000 0.873 130 A HN 1.557 nan 8.150 nan 0.000 0.492 131 S N -0.473 115.260 115.700 0.055 0.000 2.449 131 S HA 0.367 4.837 4.470 -0.000 0.000 0.310 131 S C 0.605 175.306 174.600 0.169 0.000 1.096 131 S CA -0.580 57.686 58.200 0.110 0.000 1.095 131 S CB 0.839 64.121 63.200 0.138 0.000 1.007 131 S HN 0.325 nan 8.310 nan 0.000 0.474 132 E N 3.009 123.286 120.200 0.129 0.000 2.028 132 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 132 E C 1.789 178.460 176.600 0.118 0.000 0.984 132 E CA 0.773 57.237 56.400 0.106 0.000 0.800 132 E CB -0.328 29.413 29.700 0.068 0.000 0.758 132 E HN 0.658 nan 8.360 nan 0.000 0.448 133 L N 0.665 121.963 121.223 0.124 0.000 2.043 133 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 133 L C 2.247 179.208 176.870 0.150 0.000 1.075 133 L CA 1.490 56.382 54.840 0.087 0.000 0.752 133 L CB -0.730 41.391 42.059 0.103 0.000 0.891 133 L HN 0.051 nan 8.230 nan 0.000 0.432 134 F N -0.442 119.618 119.950 0.183 0.000 2.186 134 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 134 F C 2.288 178.190 175.800 0.169 0.000 1.090 134 F CA 1.965 60.134 58.000 0.281 0.000 1.307 134 F CB -0.478 38.621 39.000 0.165 0.000 1.019 134 F HN 0.058 nan 8.300 nan 0.000 0.489 135 T N 0.498 115.236 114.554 0.306 0.000 2.708 135 T HA -0.192 4.157 4.350 -0.000 0.000 0.266 135 T C 1.962 176.685 174.700 0.038 0.000 1.037 135 T CA 1.697 63.904 62.100 0.177 0.000 1.146 135 T CB -0.228 68.717 68.868 0.128 0.000 0.865 135 T HN 0.212 nan 8.240 nan 0.000 0.435 136 K N 0.869 121.273 120.400 0.006 0.000 2.009 136 K HA -0.049 4.271 4.320 -0.000 0.000 0.210 136 K C 2.385 178.934 176.600 -0.085 0.000 1.049 136 K CA 0.923 57.182 56.287 -0.046 0.000 0.929 136 K CB -0.084 32.382 32.500 -0.057 0.000 0.714 136 K HN 0.056 nan 8.250 nan 0.000 0.440 137 K N 0.923 121.243 120.400 -0.134 0.000 2.362 137 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 137 K C 1.202 177.741 176.600 -0.101 0.000 1.045 137 K CA 1.312 57.498 56.287 -0.168 0.000 0.936 137 K CB -0.157 32.168 32.500 -0.291 0.000 0.747 137 K HN 0.191 nan 8.250 nan 0.000 0.467 138 N N -0.120 118.523 118.700 -0.094 0.000 2.660 138 N HA 0.019 4.759 4.740 -0.000 0.000 0.231 138 N C 1.296 176.788 175.510 -0.029 0.000 1.022 138 N CA 0.427 53.448 53.050 -0.048 0.000 1.178 138 N CB 0.002 38.473 38.487 -0.028 0.000 1.536 138 N HN 0.015 nan 8.380 nan 0.000 0.582 139 I N -0.675 119.892 120.570 -0.005 0.000 3.735 139 I HA 0.184 4.354 4.170 -0.000 0.000 0.310 139 I C -0.184 175.894 176.117 -0.064 0.000 1.270 139 I CA 0.621 61.902 61.300 -0.031 0.000 1.207 139 I CB -1.662 36.327 38.000 -0.017 0.000 1.013 139 I HN 0.414 nan 8.210 nan 0.000 0.452 140 N N 1.948 120.608 118.700 -0.066 0.000 2.746 140 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 140 N C -0.236 175.237 175.510 -0.061 0.000 1.055 140 N CA 0.709 53.718 53.050 -0.069 0.000 0.699 140 N CB -0.927 37.512 38.487 -0.079 0.000 0.919 140 N HN 0.840 nan 8.380 nan 0.000 0.548 141 C N -1.896 117.372 119.300 -0.054 0.000 3.253 141 C HA 0.748 5.208 4.460 -0.000 0.000 0.362 141 C C 0.317 175.285 174.990 -0.037 0.000 1.487 141 C CA -0.200 58.785 59.018 -0.053 0.000 1.179 141 C CB 1.195 28.889 27.740 -0.078 0.000 1.660 141 C HN 0.512 nan 8.230 nan 0.000 0.438 142 S N -0.070 115.610 115.700 -0.034 0.000 2.722 142 S HA 0.644 5.114 4.470 -0.000 0.000 0.292 142 S C 0.835 175.428 174.600 -0.011 0.000 1.135 142 S CA -0.577 57.619 58.200 -0.007 0.000 1.003 142 S CB 0.655 63.858 63.200 0.004 0.000 1.067 142 S HN 0.807 nan 8.310 nan 0.000 0.546 143 I N 0.559 121.149 120.570 0.034 0.000 2.151 143 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 143 I C 2.826 179.029 176.117 0.143 0.000 1.080 143 I CA 2.124 63.463 61.300 0.065 0.000 1.339 143 I CB -0.455 37.639 38.000 0.158 0.000 1.039 143 I HN 0.827 nan 8.210 nan 0.000 0.409 144 E N 1.417 121.703 120.200 0.143 0.000 2.051 144 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 144 E C 1.958 178.607 176.600 0.080 0.000 0.991 144 E CA 1.666 58.161 56.400 0.158 0.000 0.799 144 E CB -0.110 29.629 29.700 0.066 0.000 0.748 144 E HN 0.435 nan 8.360 nan 0.000 0.449 145 E N -0.201 119.995 120.200 -0.007 0.000 2.118 145 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 145 E C 2.079 178.570 176.600 -0.182 0.000 0.992 145 E CA 1.395 57.752 56.400 -0.071 0.000 0.804 145 E CB -0.189 29.469 29.700 -0.070 0.000 0.741 145 E HN 0.408 nan 8.360 nan 0.000 0.458 146 S N 0.207 115.743 115.700 -0.274 0.000 2.419 146 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 146 S C 1.761 175.786 174.600 -0.958 0.000 1.016 146 S CA 0.727 58.565 58.200 -0.603 0.000 0.974 146 S CB -0.446 62.410 63.200 -0.573 0.000 0.786 146 S HN 0.186 nan 8.310 nan 0.000 0.492 147 F N 2.068 121.791 119.950 -0.379 0.000 2.367 147 F HA 0.132 4.659 4.527 -0.000 0.000 0.298 147 F C 2.837 178.544 175.800 -0.156 0.000 1.094 147 F CA 0.696 58.571 58.000 -0.208 0.000 1.409 147 F CB -0.341 38.599 39.000 -0.100 0.000 1.064 147 F HN 0.210 nan 8.300 nan 0.000 0.528 148 Q N 0.177 119.970 119.800 -0.012 0.000 2.167 148 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 148 Q C 1.965 177.927 176.000 -0.063 0.000 0.970 148 Q CA 1.073 56.867 55.803 -0.016 0.000 0.855 148 Q CB -0.243 28.476 28.738 -0.031 0.000 0.911 148 Q HN 0.412 nan 8.270 nan 0.000 0.438 149 R N -0.237 120.141 120.500 -0.204 0.000 2.280 149 R HA 0.003 4.343 4.340 -0.000 0.000 0.207 149 R C 1.388 177.638 176.300 -0.083 0.000 1.043 149 R CA 0.637 56.620 56.100 -0.195 0.000 1.006 149 R CB 0.040 30.159 30.300 -0.301 0.000 0.885 149 R HN 0.302 nan 8.270 nan 0.000 0.467 150 F N 0.516 120.464 119.950 -0.004 0.000 2.797 150 F HA 0.001 4.529 4.527 0.000 0.000 0.302 150 F C 1.689 177.495 175.800 0.011 0.000 1.130 150 F CA -0.194 57.818 58.000 0.019 0.000 1.387 150 F CB 0.245 39.297 39.000 0.088 0.000 1.107 150 F HN -0.029 nan 8.300 nan 0.000 0.577 151 D N 0.725 121.219 120.400 0.156 0.000 2.103 151 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 151 D C 2.379 178.685 176.300 0.010 0.000 0.978 151 D CA 1.147 55.192 54.000 0.076 0.000 0.829 151 D CB -0.107 40.721 40.800 0.047 0.000 0.981 151 D HN 0.242 nan 8.370 nan 0.000 0.464 152 A N 1.335 124.150 122.820 -0.008 0.000 1.883 152 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 152 A C 2.369 179.854 177.584 -0.165 0.000 1.186 152 A CA 1.032 53.034 52.037 -0.058 0.000 0.624 152 A CB -0.816 18.163 19.000 -0.034 0.000 0.822 152 A HN 0.175 nan 8.150 nan 0.000 0.444 153 I N -0.446 120.018 120.570 -0.175 0.000 2.163 153 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 153 I C 2.497 178.360 176.117 -0.424 0.000 1.085 153 I CA 1.341 62.383 61.300 -0.430 0.000 1.347 153 I CB -0.448 37.453 38.000 -0.164 0.000 1.044 153 I HN 0.307 nan 8.210 nan 0.000 0.408 154 L N 0.223 121.360 121.223 -0.143 0.000 1.994 154 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 154 L C 2.648 179.463 176.870 -0.092 0.000 1.071 154 L CA 1.410 56.207 54.840 -0.073 0.000 0.745 154 L CB -0.493 41.581 42.059 0.026 0.000 0.892 154 L HN 0.123 nan 8.230 nan 0.000 0.431 155 K N 0.111 120.461 120.400 -0.082 0.000 2.063 155 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 155 K C 2.076 178.626 176.600 -0.083 0.000 1.048 155 K CA 1.567 57.818 56.287 -0.060 0.000 0.928 155 K CB -0.661 31.813 32.500 -0.042 0.000 0.713 155 K HN 0.315 nan 8.250 nan 0.000 0.442 156 A N 0.546 123.259 122.820 -0.179 0.000 1.873 156 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 156 A C 2.353 179.898 177.584 -0.065 0.000 1.186 156 A CA 2.019 53.955 52.037 -0.167 0.000 0.616 156 A CB -1.041 17.739 19.000 -0.366 0.000 0.823 156 A HN 0.288 nan 8.150 nan 0.000 0.442 157 A N -0.627 122.064 122.820 -0.214 0.000 1.892 157 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 157 A C 2.155 179.806 177.584 0.111 0.000 1.188 157 A CA 1.887 54.010 52.037 0.142 0.000 0.631 157 A CB -0.703 18.352 19.000 0.091 0.000 0.822 157 A HN 0.668 nan 8.150 nan 0.000 0.447 158 Q N -0.480 119.340 119.800 0.034 0.000 2.050 158 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 158 Q C 2.438 178.462 176.000 0.040 0.000 0.980 158 Q CA 1.766 57.589 55.803 0.033 0.000 0.840 158 Q CB -0.256 28.489 28.738 0.011 0.000 0.898 158 Q HN 0.645 nan 8.270 nan 0.000 0.424 159 S N 0.396 116.117 115.700 0.034 0.000 2.419 159 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 159 S C 1.554 176.191 174.600 0.062 0.000 1.019 159 S CA 1.045 59.269 58.200 0.040 0.000 0.982 159 S CB -0.003 63.216 63.200 0.032 0.000 0.789 159 S HN 0.437 nan 8.310 nan 0.000 0.490 160 A N 0.526 123.406 122.820 0.101 0.000 2.465 160 A HA 0.421 4.740 4.320 -0.000 0.000 0.255 160 A C 0.429 178.063 177.584 0.083 0.000 1.274 160 A CA -0.421 51.680 52.037 0.107 0.000 0.920 160 A CB -0.271 18.833 19.000 0.175 0.000 1.033 160 A HN 0.384 nan 8.150 nan 0.000 0.516 161 N N -0.729 118.013 118.700 0.069 0.000 2.727 161 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 161 N C -0.695 174.846 175.510 0.052 0.000 1.048 161 N CA 0.973 54.051 53.050 0.048 0.000 0.714 161 N CB -1.283 37.220 38.487 0.027 0.000 0.959 161 N HN 0.632 nan 8.380 nan 0.000 0.544 162 I N -0.210 120.416 120.570 0.093 0.000 2.441 162 I HA 0.256 4.426 4.170 -0.000 0.000 0.295 162 I C 0.477 176.659 176.117 0.108 0.000 0.994 162 I CA -0.711 60.648 61.300 0.098 0.000 1.144 162 I CB 1.725 39.813 38.000 0.148 0.000 1.314 162 I HN -0.006 nan 8.210 nan 0.000 0.445 163 S N 3.891 119.634 115.700 0.071 0.000 2.585 163 S HA 0.368 4.838 4.470 -0.000 0.000 0.273 163 S C -0.324 174.397 174.600 0.202 0.000 1.339 163 S CA -0.512 57.742 58.200 0.090 0.000 1.028 163 S CB 1.226 64.389 63.200 -0.061 0.000 0.906 163 S HN 0.322 nan 8.310 nan 0.000 0.528 164 V N 3.430 123.506 119.914 0.269 0.000 2.409 164 V HA 0.417 4.537 4.120 -0.000 0.000 0.290 164 V C 0.031 176.232 176.094 0.180 0.000 1.017 164 V CA -0.758 61.668 62.300 0.210 0.000 0.841 164 V CB 1.342 33.242 31.823 0.128 0.000 1.003 164 V HN 0.786 nan 8.190 nan 0.000 0.426 165 R N 3.314 123.871 120.500 0.094 0.000 2.349 165 R HA 0.698 5.038 4.340 -0.000 0.000 0.299 165 R C 0.263 176.437 176.300 -0.210 0.000 1.027 165 R CA -0.092 55.929 56.100 -0.132 0.000 0.958 165 R CB 1.461 31.714 30.300 -0.077 0.000 1.047 165 R HN 0.827 nan 8.270 nan 0.000 0.468 166 G N 2.176 110.756 108.800 -0.366 0.000 2.410 166 G HA2 0.359 4.319 3.960 -0.000 0.000 0.330 166 G HA3 0.359 4.319 3.960 -0.000 0.000 0.330 166 G C -1.983 172.635 174.900 -0.471 0.000 1.142 166 G CA -0.374 44.281 45.100 -0.742 0.000 0.902 166 G HN 0.591 nan 8.290 nan 0.000 0.491 167 Y N 1.111 121.018 120.300 -0.654 0.000 2.421 167 Y HA 0.530 5.080 4.550 -0.000 0.000 0.339 167 Y C -1.079 174.803 175.900 -0.031 0.000 0.996 167 Y CA -0.915 57.060 58.100 -0.207 0.000 1.046 167 Y CB 2.264 40.723 38.460 -0.002 0.000 1.226 167 Y HN 0.430 nan 8.280 nan 0.000 0.445 168 V N 6.194 125.709 119.914 -0.664 0.000 2.349 168 V HA 0.410 4.530 4.120 -0.000 0.000 0.284 168 V C -0.306 175.392 176.094 -0.659 0.000 1.014 168 V CA -0.598 61.494 62.300 -0.347 0.000 0.826 168 V CB 1.022 32.797 31.823 -0.079 0.000 1.009 168 V HN 0.856 nan 8.190 nan 0.000 0.431 169 S N 2.039 117.459 115.700 -0.468 0.000 2.669 169 S HA 0.439 4.909 4.470 -0.000 0.000 0.270 169 S C 0.695 175.048 174.600 -0.411 0.000 1.225 169 S CA -0.003 57.941 58.200 -0.427 0.000 0.991 169 S CB 1.190 64.257 63.200 -0.220 0.000 0.987 169 S HN 1.158 nan 8.310 nan 0.000 0.552 170 C N -0.838 118.200 119.300 -0.437 0.000 4.417 170 C HA -0.155 4.305 4.460 -0.000 0.000 0.284 170 C C 2.051 176.907 174.990 -0.224 0.000 1.379 170 C CA 0.227 59.019 59.018 -0.376 0.000 1.918 170 C CB -2.978 24.486 27.740 -0.459 0.000 1.280 170 C HN 1.102 nan 8.230 nan 0.000 0.783 171 A N -0.506 122.192 122.820 -0.205 0.000 1.972 171 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 171 A C 1.611 179.131 177.584 -0.105 0.000 1.169 171 A CA 1.929 53.882 52.037 -0.140 0.000 0.635 171 A CB -0.177 18.737 19.000 -0.144 0.000 0.810 171 A HN 0.773 nan 8.150 nan 0.000 0.446 172 L N -1.677 119.480 121.223 -0.110 0.000 2.857 172 L HA 0.445 4.785 4.340 -0.000 0.000 0.249 172 L C 0.730 177.542 176.870 -0.096 0.000 1.172 172 L CA 0.225 55.013 54.840 -0.088 0.000 0.980 172 L CB -0.038 41.977 42.059 -0.074 0.000 1.299 172 L HN 0.490 nan 8.230 nan 0.000 0.535 173 G N -0.622 108.110 108.800 -0.112 0.000 2.350 173 G HA2 0.168 4.128 3.960 -0.000 0.000 0.305 173 G HA3 0.168 4.128 3.960 -0.000 0.000 0.305 173 G C -2.108 172.709 174.900 -0.139 0.000 1.479 173 G CA -0.532 44.504 45.100 -0.106 0.000 0.949 173 G HN -0.101 nan 8.290 nan 0.000 0.651 174 C N 2.435 121.675 119.300 -0.101 0.000 2.547 174 C HA 0.839 5.299 4.460 -0.000 0.000 0.313 174 C C -1.220 173.734 174.990 -0.061 0.000 1.191 174 C CA -1.492 57.463 59.018 -0.106 0.000 1.474 174 C CB 1.755 29.486 27.740 -0.016 0.000 2.081 174 C HN 0.645 nan 8.230 nan 0.000 0.476 175 P HA -0.055 nan 4.420 nan 0.000 0.226 175 P C 0.519 177.765 177.300 -0.089 0.000 1.153 175 P CA 1.501 64.520 63.100 -0.135 0.000 0.777 175 P CB 0.190 31.766 31.700 -0.206 0.000 0.794 176 Y N 0.517 120.916 120.300 0.165 0.000 2.331 176 Y HA 0.147 4.697 4.550 -0.000 0.000 0.282 176 Y C 2.696 178.648 175.900 0.087 0.000 1.140 176 Y CA 0.011 58.192 58.100 0.136 0.000 1.198 176 Y CB -0.419 38.139 38.460 0.163 0.000 1.159 176 Y HN -0.172 nan 8.280 nan 0.000 0.512 177 E N 0.516 120.873 120.200 0.262 0.000 2.274 177 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 177 E C 1.271 177.920 176.600 0.082 0.000 0.996 177 E CA 0.607 57.093 56.400 0.143 0.000 0.840 177 E CB -0.089 29.683 29.700 0.120 0.000 0.772 177 E HN 0.583 nan 8.360 nan 0.000 0.491 178 G N 1.934 110.772 108.800 0.062 0.000 2.509 178 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.256 178 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.256 178 G C -0.351 174.546 174.900 -0.005 0.000 1.152 178 G CA -0.142 44.970 45.100 0.020 0.000 0.951 178 G HN 0.173 nan 8.290 nan 0.000 0.559 179 K N 0.616 121.011 120.400 -0.009 0.000 2.524 179 K HA 0.278 4.598 4.320 -0.000 0.000 0.279 179 K C 0.028 176.620 176.600 -0.014 0.000 0.993 179 K CA 0.405 56.680 56.287 -0.019 0.000 1.030 179 K CB 0.238 32.729 32.500 -0.016 0.000 0.891 179 K HN 0.323 nan 8.250 nan 0.000 0.488 180 I N 1.915 122.469 120.570 -0.027 0.000 2.465 180 I HA 0.051 4.221 4.170 -0.000 0.000 0.291 180 I C 0.385 176.489 176.117 -0.022 0.000 1.014 180 I CA -0.409 60.878 61.300 -0.023 0.000 1.093 180 I CB 1.683 39.659 38.000 -0.041 0.000 1.267 180 I HN 0.535 nan 8.210 nan 0.000 0.431 181 S N 7.319 123.012 115.700 -0.012 0.000 2.549 181 S HA 0.190 4.660 4.470 -0.000 0.000 0.283 181 S C -1.448 173.144 174.600 -0.014 0.000 1.320 181 S CA -0.720 57.474 58.200 -0.011 0.000 1.058 181 S CB 0.843 64.040 63.200 -0.004 0.000 0.882 181 S HN 0.370 nan 8.310 nan 0.000 0.498 182 P HA -0.051 nan 4.420 nan 0.000 0.218 182 P C 1.199 178.492 177.300 -0.013 0.000 1.148 182 P CA 1.357 64.447 63.100 -0.018 0.000 0.822 182 P CB 0.032 31.721 31.700 -0.018 0.000 0.784 183 A N -0.551 122.264 122.820 -0.010 0.000 1.930 183 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 183 A C 2.240 179.822 177.584 -0.002 0.000 1.175 183 A CA 1.808 53.841 52.037 -0.007 0.000 0.627 183 A CB -0.957 18.040 19.000 -0.006 0.000 0.815 183 A HN 0.022 nan 8.150 nan 0.000 0.443 184 K N -0.087 120.313 120.400 0.001 0.000 2.057 184 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 184 K C 1.730 178.341 176.600 0.018 0.000 1.050 184 K CA 1.707 58.001 56.287 0.011 0.000 0.935 184 K CB -0.642 31.866 32.500 0.014 0.000 0.715 184 K HN 0.208 nan 8.250 nan 0.000 0.439 185 V N 0.896 120.814 119.914 0.007 0.000 2.295 185 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 185 V C 2.327 178.432 176.094 0.019 0.000 1.049 185 V CA 1.987 64.293 62.300 0.010 0.000 1.024 185 V CB -1.038 30.775 31.823 -0.016 0.000 0.648 185 V HN 0.443 nan 8.190 nan 0.000 0.447 186 A N -0.487 122.335 122.820 0.003 0.000 1.917 186 A HA -0.329 3.991 4.320 -0.000 0.000 0.219 186 A C 2.282 179.870 177.584 0.007 0.000 1.182 186 A CA 2.320 54.356 52.037 -0.001 0.000 0.633 186 A CB -0.608 18.386 19.000 -0.010 0.000 0.819 186 A HN 0.638 nan 8.150 nan 0.000 0.448 187 E N -0.260 119.942 120.200 0.004 0.000 2.023 187 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 187 E C 2.096 178.683 176.600 -0.021 0.000 1.003 187 E CA 2.325 58.718 56.400 -0.012 0.000 0.809 187 E CB -0.250 29.444 29.700 -0.010 0.000 0.755 187 E HN 0.596 nan 8.360 nan 0.000 0.449 188 V N -1.276 118.658 119.914 0.033 0.000 2.515 188 V HA -0.138 3.982 4.120 -0.000 0.000 0.250 188 V C 2.097 178.289 176.094 0.164 0.000 1.058 188 V CA 2.035 64.388 62.300 0.088 0.000 1.064 188 V CB -0.816 31.162 31.823 0.258 0.000 0.675 188 V HN 0.159 nan 8.190 nan 0.000 0.461 189 T N 0.492 115.146 114.554 0.165 0.000 2.737 189 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 189 T C 1.858 176.668 174.700 0.184 0.000 1.038 189 T CA 2.062 64.289 62.100 0.212 0.000 1.144 189 T CB -0.330 68.591 68.868 0.089 0.000 0.866 189 T HN 0.516 nan 8.240 nan 0.000 0.434 190 K N 1.678 122.129 120.400 0.086 0.000 2.063 190 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 190 K C 2.153 178.798 176.600 0.074 0.000 1.048 190 K CA 1.544 57.880 56.287 0.081 0.000 0.928 190 K CB -0.331 32.182 32.500 0.022 0.000 0.713 190 K HN 0.034 nan 8.250 nan 0.000 0.442 191 K N -0.101 120.258 120.400 -0.068 0.000 2.009 191 K HA -0.048 4.272 4.320 -0.000 0.000 0.210 191 K C 1.978 178.525 176.600 -0.088 0.000 1.049 191 K CA 1.819 57.953 56.287 -0.255 0.000 0.929 191 K CB -0.766 31.274 32.500 -0.767 0.000 0.714 191 K HN 0.243 nan 8.250 nan 0.000 0.440 192 F N -0.897 119.086 119.950 0.054 0.000 2.120 192 F HA -0.263 4.264 4.527 0.000 0.000 0.300 192 F C 2.230 178.103 175.800 0.121 0.000 1.095 192 F CA 1.541 59.634 58.000 0.156 0.000 1.249 192 F CB -0.345 38.766 39.000 0.185 0.000 0.995 192 F HN 0.162 nan 8.300 nan 0.000 0.480 193 Y N 0.613 121.036 120.300 0.205 0.000 2.242 193 Y HA -0.268 4.282 4.550 -0.000 0.000 0.291 193 Y C 2.649 178.595 175.900 0.077 0.000 1.137 193 Y CA 1.437 59.602 58.100 0.108 0.000 1.181 193 Y CB -0.282 38.218 38.460 0.067 0.000 0.989 193 Y HN 0.058 nan 8.280 nan 0.000 0.527 194 S N -0.529 115.204 115.700 0.056 0.000 2.453 194 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 194 S C 1.703 176.274 174.600 -0.050 0.000 1.005 194 S CA 1.152 59.326 58.200 -0.044 0.000 0.949 194 S CB -0.449 62.749 63.200 -0.003 0.000 0.774 194 S HN 0.533 nan 8.310 nan 0.000 0.510 195 M N 0.791 120.395 119.600 0.006 0.000 2.595 195 M HA 0.242 4.722 4.480 -0.000 0.000 0.248 195 M C 1.628 177.947 176.300 0.031 0.000 1.119 195 M CA 0.790 56.109 55.300 0.031 0.000 1.079 195 M CB 0.359 33.017 32.600 0.096 0.000 1.472 195 M HN 0.677 nan 8.290 nan 0.000 0.501 196 G N -0.754 108.044 108.800 -0.004 0.000 2.367 196 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.181 196 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.181 196 G C -0.038 174.884 174.900 0.037 0.000 1.000 196 G CA -0.742 44.353 45.100 -0.007 0.000 0.693 196 G HN 0.369 nan 8.290 nan 0.000 0.480 197 C N 2.381 121.730 119.300 0.082 0.000 2.648 197 C HA 0.403 4.863 4.460 -0.000 0.000 0.415 197 C C 1.917 176.977 174.990 0.117 0.000 1.366 197 C CA 0.586 59.659 59.018 0.092 0.000 1.756 197 C CB -1.304 26.468 27.740 0.053 0.000 2.549 197 C HN 0.568 nan 8.230 nan 0.000 0.597 198 Y N 0.937 121.278 120.300 0.070 0.000 2.457 198 Y HA 0.189 4.739 4.550 -0.000 0.000 0.292 198 Y C 0.727 176.731 175.900 0.174 0.000 1.125 198 Y CA 0.733 58.899 58.100 0.111 0.000 1.254 198 Y CB -0.104 38.397 38.460 0.068 0.000 1.012 198 Y HN 0.739 nan 8.280 nan 0.000 0.555 199 E N 0.087 119.911 120.200 -0.626 0.000 2.390 199 E HA 0.586 4.936 4.350 -0.000 0.000 0.277 199 E C -2.116 174.283 176.600 -0.336 0.000 0.939 199 E CA -1.063 55.026 56.400 -0.519 0.000 0.769 199 E CB 1.804 30.960 29.700 -0.907 0.000 1.251 199 E HN 0.114 nan 8.360 nan 0.000 0.450 200 I N 1.929 122.380 120.570 -0.198 0.000 2.512 200 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 200 I C -0.531 175.515 176.117 -0.117 0.000 1.069 200 I CA -0.324 60.872 61.300 -0.173 0.000 1.056 200 I CB 2.026 39.971 38.000 -0.092 0.000 1.229 200 I HN 0.298 nan 8.210 nan 0.000 0.429 201 S N 6.583 122.236 115.700 -0.077 0.000 2.452 201 S HA 0.642 5.112 4.470 -0.000 0.000 0.284 201 S C -0.464 174.050 174.600 -0.144 0.000 1.171 201 S CA -0.530 57.676 58.200 0.011 0.000 1.064 201 S CB 0.210 63.566 63.200 0.260 0.000 0.967 201 S HN 0.458 nan 8.310 nan 0.000 0.484 202 L N 5.280 126.437 121.223 -0.110 0.000 2.259 202 L HA 0.519 4.859 4.340 -0.000 0.000 0.288 202 L C 0.953 177.727 176.870 -0.160 0.000 1.051 202 L CA -0.700 54.033 54.840 -0.179 0.000 0.824 202 L CB 0.751 42.751 42.059 -0.099 0.000 1.206 202 L HN 0.700 nan 8.230 nan 0.000 0.429 203 G N 0.851 109.448 108.800 -0.338 0.000 2.410 203 G HA2 0.351 4.311 3.960 -0.000 0.000 0.330 203 G HA3 0.351 4.311 3.960 -0.000 0.000 0.330 203 G C -1.048 173.746 174.900 -0.177 0.000 1.142 203 G CA -0.195 44.772 45.100 -0.222 0.000 0.902 203 G HN 0.540 nan 8.290 nan 0.000 0.491 204 D N 0.908 121.260 120.400 -0.079 0.000 2.483 204 D HA 0.239 4.879 4.640 -0.000 0.000 0.281 204 D C 1.603 177.924 176.300 0.034 0.000 1.174 204 D CA -0.488 53.484 54.000 -0.046 0.000 0.938 204 D CB 0.417 41.218 40.800 0.002 0.000 1.002 204 D HN 0.174 nan 8.370 nan 0.000 0.501 205 T N 1.734 116.237 114.554 -0.085 0.000 2.720 205 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 205 T C 1.880 176.417 174.700 -0.271 0.000 1.037 205 T CA 1.260 63.247 62.100 -0.189 0.000 1.144 205 T CB -0.140 68.575 68.868 -0.256 0.000 0.864 205 T HN 0.656 nan 8.240 nan 0.000 0.444 206 I N -0.834 119.654 120.570 -0.136 0.000 3.578 206 I HA 0.445 4.615 4.170 -0.000 0.000 0.295 206 I C 1.543 177.717 176.117 0.094 0.000 1.280 206 I CA 0.146 61.423 61.300 -0.039 0.000 1.347 206 I CB -0.942 37.038 38.000 -0.035 0.000 1.051 206 I HN 0.285 nan 8.210 nan 0.000 0.460 207 G N 2.576 111.430 108.800 0.091 0.000 2.305 207 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.287 207 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.287 207 G C 0.738 175.685 174.900 0.077 0.000 1.036 207 G CA 0.657 45.851 45.100 0.158 0.000 0.887 207 G HN 0.726 nan 8.290 nan 0.000 0.505 208 V N -2.392 117.447 119.914 -0.125 0.000 3.506 208 V HA 0.529 4.649 4.120 -0.000 0.000 0.263 208 V C 1.683 177.625 176.094 -0.252 0.000 1.203 208 V CA 0.778 62.831 62.300 -0.411 0.000 1.133 208 V CB -0.360 31.247 31.823 -0.359 0.000 0.802 208 V HN 1.067 nan 8.190 nan 0.000 0.459 209 G N 1.635 110.361 108.800 -0.124 0.000 2.554 209 G HA2 0.442 4.402 3.960 -0.000 0.000 0.238 209 G HA3 0.442 4.402 3.960 -0.000 0.000 0.238 209 G C 0.094 174.957 174.900 -0.062 0.000 1.259 209 G CA 0.765 45.815 45.100 -0.083 0.000 0.843 209 G HN 0.752 nan 8.290 nan 0.000 0.582 210 T N -0.534 113.989 114.554 -0.052 0.000 2.916 210 T HA 0.624 4.974 4.350 -0.000 0.000 0.292 210 T C -1.557 173.129 174.700 -0.022 0.000 1.064 210 T CA -1.582 60.499 62.100 -0.032 0.000 1.011 210 T CB 2.676 71.523 68.868 -0.036 0.000 1.152 210 T HN 0.249 nan 8.240 nan 0.000 0.510 211 P HA -0.140 nan 4.420 nan 0.000 0.216 211 P C 1.743 179.035 177.300 -0.014 0.000 1.154 211 P CA 1.847 64.942 63.100 -0.010 0.000 0.865 211 P CB -0.609 31.088 31.700 -0.004 0.000 0.789 212 G N 0.199 108.989 108.800 -0.016 0.000 2.422 212 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 212 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 212 G C 1.540 176.427 174.900 -0.022 0.000 1.146 212 G CA 0.447 45.537 45.100 -0.017 0.000 0.769 212 G HN 0.147 nan 8.290 nan 0.000 0.547 213 I N 0.553 121.107 120.570 -0.028 0.000 2.252 213 I HA -0.076 4.094 4.170 -0.000 0.000 0.245 213 I C 2.566 178.664 176.117 -0.031 0.000 1.102 213 I CA 1.088 62.368 61.300 -0.033 0.000 1.385 213 I CB -1.022 36.952 38.000 -0.045 0.000 1.064 213 I HN 0.219 nan 8.210 nan 0.000 0.414 214 M N 1.345 120.929 119.600 -0.028 0.000 2.086 214 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 214 M C 2.268 178.554 176.300 -0.023 0.000 1.067 214 M CA 1.897 57.182 55.300 -0.025 0.000 1.116 214 M CB -0.657 31.933 32.600 -0.017 0.000 1.348 214 M HN 0.093 nan 8.290 nan 0.000 0.407 215 K N -0.394 119.994 120.400 -0.019 0.000 2.032 215 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 215 K C 1.491 178.079 176.600 -0.020 0.000 1.048 215 K CA 2.060 58.336 56.287 -0.018 0.000 0.927 215 K CB -0.355 32.136 32.500 -0.015 0.000 0.712 215 K HN 0.385 nan 8.250 nan 0.000 0.441 216 D N 0.588 120.975 120.400 -0.020 0.000 2.144 216 D HA -0.205 4.434 4.640 -0.000 0.000 0.199 216 D C 1.867 178.154 176.300 -0.023 0.000 0.984 216 D CA 0.947 54.935 54.000 -0.020 0.000 0.834 216 D CB -0.142 40.645 40.800 -0.020 0.000 0.955 216 D HN 0.279 nan 8.370 nan 0.000 0.465 217 M N 0.548 120.132 119.600 -0.027 0.000 2.064 217 M HA -0.107 4.372 4.480 -0.000 0.000 0.260 217 M C 2.187 178.470 176.300 -0.030 0.000 1.073 217 M CA 1.156 56.438 55.300 -0.030 0.000 1.124 217 M CB -0.594 31.984 32.600 -0.037 0.000 1.326 217 M HN -0.013 nan 8.290 nan 0.000 0.410 218 L N -0.427 120.778 121.223 -0.030 0.000 2.079 218 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 218 L C 2.702 179.554 176.870 -0.030 0.000 1.081 218 L CA 1.510 56.331 54.840 -0.031 0.000 0.752 218 L CB -0.916 41.126 42.059 -0.028 0.000 0.896 218 L HN 0.421 nan 8.230 nan 0.000 0.433 219 S N -0.290 115.395 115.700 -0.025 0.000 2.359 219 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 219 S C 2.122 176.708 174.600 -0.024 0.000 1.035 219 S CA 1.463 59.650 58.200 -0.023 0.000 1.018 219 S CB -0.110 63.078 63.200 -0.019 0.000 0.876 219 S HN 0.462 nan 8.310 nan 0.000 0.448 220 A N 0.661 123.467 122.820 -0.023 0.000 1.873 220 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 220 A C 2.363 179.931 177.584 -0.026 0.000 1.186 220 A CA 1.734 53.758 52.037 -0.022 0.000 0.616 220 A CB -1.058 17.930 19.000 -0.019 0.000 0.823 220 A HN 0.453 nan 8.150 nan 0.000 0.442 221 V N 0.041 119.937 119.914 -0.031 0.000 2.295 221 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 221 V C 2.643 178.705 176.094 -0.053 0.000 1.049 221 V CA 2.345 64.621 62.300 -0.039 0.000 1.024 221 V CB -0.768 31.029 31.823 -0.043 0.000 0.648 221 V HN 0.583 nan 8.190 nan 0.000 0.447 222 M N -0.771 118.799 119.600 -0.050 0.000 2.202 222 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 222 M C 2.346 178.617 176.300 -0.049 0.000 1.063 222 M CA 1.574 56.841 55.300 -0.055 0.000 1.097 222 M CB -0.484 32.090 32.600 -0.042 0.000 1.382 222 M HN 0.345 nan 8.290 nan 0.000 0.413 223 Q N 0.493 120.272 119.800 -0.036 0.000 2.135 223 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 223 Q C 1.400 177.382 176.000 -0.030 0.000 0.981 223 Q CA 1.598 57.385 55.803 -0.028 0.000 0.856 223 Q CB -0.294 28.432 28.738 -0.021 0.000 0.902 223 Q HN 0.680 nan 8.270 nan 0.000 0.425 224 E N -0.511 119.666 120.200 -0.038 0.000 2.447 224 E HA 0.146 4.496 4.350 -0.000 0.000 0.204 224 E C -0.194 176.363 176.600 -0.072 0.000 0.977 224 E CA -0.027 56.352 56.400 -0.035 0.000 0.950 224 E CB 1.284 30.972 29.700 -0.019 0.000 0.975 224 E HN -0.068 nan 8.360 nan 0.000 0.496 225 V N 3.743 123.579 119.914 -0.129 0.000 2.588 225 V HA 0.244 4.364 4.120 -0.000 0.000 0.304 225 V C -2.366 173.570 176.094 -0.262 0.000 1.042 225 V CA -2.263 59.867 62.300 -0.283 0.000 0.877 225 V CB 1.896 33.529 31.823 -0.317 0.000 0.996 225 V HN 0.009 nan 8.190 nan 0.000 0.425 226 P HA -0.038 nan 4.420 nan 0.000 0.263 226 P C 0.704 177.911 177.300 -0.154 0.000 1.175 226 P CA -0.029 62.966 63.100 -0.174 0.000 0.761 226 P CB 1.033 32.657 31.700 -0.127 0.000 0.794 227 L N 4.331 125.502 121.223 -0.086 0.000 2.079 227 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 227 L C 2.370 179.210 176.870 -0.050 0.000 1.081 227 L CA 2.326 57.128 54.840 -0.064 0.000 0.752 227 L CB -1.576 40.460 42.059 -0.039 0.000 0.896 227 L HN 0.501 nan 8.230 nan 0.000 0.433 228 A N -1.248 121.554 122.820 -0.030 0.000 2.168 228 A HA 0.177 4.497 4.320 -0.000 0.000 0.215 228 A C 2.126 179.714 177.584 0.006 0.000 1.152 228 A CA 1.054 53.092 52.037 0.001 0.000 0.716 228 A CB -0.756 18.260 19.000 0.027 0.000 0.794 228 A HN 0.475 nan 8.150 nan 0.000 0.465 229 A N -1.225 121.570 122.820 -0.042 0.000 2.275 229 A HA 0.521 4.841 4.320 -0.000 0.000 0.212 229 A C 0.282 177.810 177.584 -0.093 0.000 1.201 229 A CA 0.017 52.025 52.037 -0.048 0.000 0.843 229 A CB -0.096 18.834 19.000 -0.115 0.000 0.873 229 A HN 0.299 nan 8.150 nan 0.000 0.492 230 L N -0.447 120.728 121.223 -0.082 0.000 2.344 230 L HA 0.808 5.147 4.340 -0.000 0.000 0.272 230 L C 0.251 177.092 176.870 -0.049 0.000 1.035 230 L CA -0.558 54.238 54.840 -0.074 0.000 0.807 230 L CB 1.324 43.341 42.059 -0.071 0.000 1.237 230 L HN 0.225 nan 8.230 nan 0.000 0.442 231 A N 1.487 124.281 122.820 -0.042 0.000 2.572 231 A HA 0.832 5.152 4.320 -0.000 0.000 0.295 231 A C -1.265 176.321 177.584 0.003 0.000 1.072 231 A CA -0.515 51.512 52.037 -0.016 0.000 0.691 231 A CB 1.841 20.833 19.000 -0.013 0.000 1.291 231 A HN 0.616 nan 8.150 nan 0.000 0.404 232 V N -0.711 119.216 119.914 0.023 0.000 2.680 232 V HA 0.755 4.875 4.120 -0.000 0.000 0.309 232 V C -0.376 175.787 176.094 0.116 0.000 1.052 232 V CA -0.436 61.892 62.300 0.047 0.000 0.908 232 V CB 1.512 33.348 31.823 0.022 0.000 1.001 232 V HN 1.092 nan 8.190 nan 0.000 0.431 233 H N 2.932 122.015 119.070 0.021 0.000 2.854 233 H HA 0.587 5.143 4.556 0.000 0.000 0.275 233 H C -1.164 174.174 175.328 0.018 0.000 1.198 233 H CA -0.536 55.535 56.048 0.038 0.000 1.489 233 H CB 1.016 30.885 29.762 0.179 0.000 1.519 233 H HN 0.944 nan 8.280 nan 0.000 0.503 234 C N 4.456 123.875 119.300 0.199 0.000 2.358 234 C HA 0.346 4.806 4.460 -0.000 0.000 0.342 234 C C 0.238 175.259 174.990 0.052 0.000 1.234 234 C CA -0.681 58.405 59.018 0.113 0.000 1.969 234 C CB 0.490 28.270 27.740 0.066 0.000 2.346 234 C HN 0.795 nan 8.230 nan 0.000 0.525 235 H N 0.933 120.069 119.070 0.109 0.000 2.479 235 H HA 0.155 4.711 4.556 -0.000 0.000 0.335 235 H C -0.322 175.062 175.328 0.093 0.000 1.142 235 H CA 0.046 56.157 56.048 0.106 0.000 1.234 235 H CB 1.655 31.468 29.762 0.084 0.000 1.503 235 H HN 0.659 nan 8.280 nan 0.000 0.510 236 D N 1.104 121.613 120.400 0.181 0.000 2.395 236 D HA 0.032 4.672 4.640 -0.000 0.000 0.226 236 D C 0.997 177.371 176.300 0.123 0.000 1.146 236 D CA 0.041 54.118 54.000 0.128 0.000 0.830 236 D CB 0.212 41.056 40.800 0.074 0.000 0.958 236 D HN 0.492 nan 8.370 nan 0.000 0.501 237 T N -0.588 114.064 114.554 0.162 0.000 2.737 237 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 237 T C 0.883 175.534 174.700 -0.081 0.000 1.040 237 T CA 1.290 63.422 62.100 0.054 0.000 1.142 237 T CB -0.230 68.703 68.868 0.107 0.000 0.861 237 T HN 0.386 nan 8.240 nan 0.000 0.456 238 Y N -0.033 120.287 120.300 0.033 0.000 2.681 238 Y HA 0.453 5.003 4.550 -0.000 0.000 0.267 238 Y C 1.623 177.535 175.900 0.021 0.000 1.166 238 Y CA -0.471 57.642 58.100 0.022 0.000 1.209 238 Y CB 0.379 38.849 38.460 0.016 0.000 1.161 238 Y HN 0.267 nan 8.280 nan 0.000 0.534 239 G N 0.385 109.263 108.800 0.130 0.000 2.168 239 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 239 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 239 G C 0.850 175.802 174.900 0.086 0.000 0.997 239 G CA 0.430 45.582 45.100 0.086 0.000 0.708 239 G HN 0.370 nan 8.290 nan 0.000 0.520 240 Q N -0.802 119.062 119.800 0.107 0.000 2.280 240 Q HA 0.514 4.854 4.340 -0.000 0.000 0.201 240 Q C 2.408 178.444 176.000 0.060 0.000 0.890 240 Q CA 0.850 56.696 55.803 0.073 0.000 0.947 240 Q CB 0.203 28.979 28.738 0.063 0.000 1.081 240 Q HN 0.732 nan 8.270 nan 0.000 0.502 241 A N 1.398 124.258 122.820 0.067 0.000 1.841 241 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 241 A C 2.017 179.622 177.584 0.034 0.000 1.199 241 A CA 1.417 53.486 52.037 0.052 0.000 0.621 241 A CB -0.660 18.369 19.000 0.048 0.000 0.835 241 A HN 0.333 nan 8.150 nan 0.000 0.445 242 L N -0.464 120.778 121.223 0.031 0.000 2.083 242 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 242 L C 2.670 179.555 176.870 0.024 0.000 1.083 242 L CA 2.079 56.935 54.840 0.026 0.000 0.752 242 L CB -0.728 41.349 42.059 0.031 0.000 0.899 242 L HN 0.380 nan 8.230 nan 0.000 0.433 243 A N -0.937 121.898 122.820 0.026 0.000 1.929 243 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 243 A C 2.122 179.716 177.584 0.016 0.000 1.176 243 A CA 1.789 53.839 52.037 0.021 0.000 0.628 243 A CB -0.782 18.231 19.000 0.023 0.000 0.816 243 A HN 0.637 nan 8.150 nan 0.000 0.444 244 N N -0.902 117.809 118.700 0.018 0.000 2.216 244 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 244 N C 1.466 176.982 175.510 0.010 0.000 1.017 244 N CA 1.495 54.553 53.050 0.012 0.000 0.861 244 N CB -0.096 38.401 38.487 0.016 0.000 0.986 244 N HN 0.413 nan 8.380 nan 0.000 0.428 245 T N 1.648 116.210 114.554 0.014 0.000 2.867 245 T HA -0.030 4.320 4.350 -0.000 0.000 0.268 245 T C 1.756 176.460 174.700 0.007 0.000 1.057 245 T CA 0.374 62.481 62.100 0.011 0.000 1.136 245 T CB -0.041 68.834 68.868 0.011 0.000 0.874 245 T HN 0.169 nan 8.240 nan 0.000 0.466 246 L N 0.665 121.893 121.223 0.008 0.000 2.141 246 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 246 L C 2.249 179.120 176.870 0.002 0.000 1.094 246 L CA 1.707 56.550 54.840 0.006 0.000 0.763 246 L CB -0.690 41.374 42.059 0.009 0.000 0.908 246 L HN 0.305 nan 8.230 nan 0.000 0.437 247 M N 0.367 119.968 119.600 0.002 0.000 2.132 247 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 247 M C 2.234 178.531 176.300 -0.005 0.000 1.065 247 M CA 2.091 57.389 55.300 -0.002 0.000 1.122 247 M CB -0.701 31.896 32.600 -0.004 0.000 1.365 247 M HN 0.210 nan 8.290 nan 0.000 0.411 248 A N -0.056 122.762 122.820 -0.004 0.000 1.933 248 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 248 A C 2.178 179.759 177.584 -0.006 0.000 1.175 248 A CA 1.707 53.739 52.037 -0.007 0.000 0.628 248 A CB -1.096 17.900 19.000 -0.005 0.000 0.814 248 A HN 0.589 nan 8.150 nan 0.000 0.444 249 L N -1.136 120.085 121.223 -0.003 0.000 2.109 249 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 249 L C 2.758 179.626 176.870 -0.004 0.000 1.086 249 L CA 1.264 56.103 54.840 -0.003 0.000 0.760 249 L CB -0.491 41.567 42.059 -0.001 0.000 0.910 249 L HN 0.461 nan 8.230 nan 0.000 0.437 250 Q N -0.798 119.000 119.800 -0.004 0.000 2.291 250 Q HA -0.114 4.226 4.340 -0.000 0.000 0.205 250 Q C 2.112 178.108 176.000 -0.007 0.000 0.970 250 Q CA 0.963 56.764 55.803 -0.005 0.000 0.876 250 Q CB 0.075 28.811 28.738 -0.004 0.000 0.935 250 Q HN 0.468 nan 8.270 nan 0.000 0.455 251 M N -1.798 117.797 119.600 -0.008 0.000 2.506 251 M HA 0.087 4.567 4.480 -0.000 0.000 0.260 251 M C 1.153 177.446 176.300 -0.012 0.000 1.104 251 M CA 1.142 56.435 55.300 -0.011 0.000 1.112 251 M CB 0.496 33.088 32.600 -0.014 0.000 1.401 251 M HN 0.413 nan 8.290 nan 0.000 0.473 252 G N 0.169 108.963 108.800 -0.010 0.000 2.205 252 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.180 252 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.180 252 G C 0.024 174.918 174.900 -0.010 0.000 1.004 252 G CA -0.292 44.803 45.100 -0.009 0.000 0.670 252 G HN 0.250 nan 8.290 nan 0.000 0.496 253 V N 2.203 122.111 119.914 -0.011 0.000 2.585 253 V HA 0.421 4.541 4.120 -0.000 0.000 0.296 253 V C 1.523 177.615 176.094 -0.003 0.000 1.035 253 V CA 1.180 63.474 62.300 -0.011 0.000 1.084 253 V CB 1.456 33.272 31.823 -0.012 0.000 0.953 253 V HN 0.853 nan 8.190 nan 0.000 0.483 254 S N 2.610 118.311 115.700 0.001 0.000 2.578 254 S HA 0.296 4.766 4.470 -0.000 0.000 0.231 254 S C -0.046 174.562 174.600 0.013 0.000 0.994 254 S CA -0.063 58.143 58.200 0.010 0.000 0.956 254 S CB 0.728 63.938 63.200 0.016 0.000 0.870 254 S HN 0.797 nan 8.310 nan 0.000 0.494 255 V N 0.392 120.310 119.914 0.006 0.000 2.686 255 V HA 0.891 5.011 4.120 -0.000 0.000 0.306 255 V C -1.149 174.944 176.094 -0.002 0.000 1.065 255 V CA -0.522 61.781 62.300 0.006 0.000 0.894 255 V CB 1.794 33.624 31.823 0.013 0.000 1.004 255 V HN 0.436 nan 8.190 nan 0.000 0.424 256 V N 4.616 124.525 119.914 -0.009 0.000 2.888 256 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 256 V C -1.328 174.741 176.094 -0.042 0.000 1.114 256 V CA -0.404 61.888 62.300 -0.013 0.000 0.940 256 V CB 2.305 34.122 31.823 -0.010 0.000 1.021 256 V HN 0.990 nan 8.190 nan 0.000 0.426 257 D N 4.012 124.374 120.400 -0.064 0.000 2.210 257 D HA 0.774 5.414 4.640 -0.000 0.000 0.249 257 D C -0.083 176.098 176.300 -0.198 0.000 1.062 257 D CA 0.366 54.265 54.000 -0.170 0.000 0.891 257 D CB 1.750 42.353 40.800 -0.327 0.000 1.186 257 D HN 1.097 nan 8.370 nan 0.000 0.432 258 S N -0.448 115.131 115.700 -0.201 0.000 2.587 258 S HA 0.598 5.068 4.470 -0.000 0.000 0.269 258 S C -1.048 173.467 174.600 -0.142 0.000 1.154 258 S CA -0.996 57.107 58.200 -0.161 0.000 0.824 258 S CB 1.731 64.877 63.200 -0.090 0.000 1.118 258 S HN 0.190 nan 8.310 nan 0.000 0.462 259 S N 0.834 116.469 115.700 -0.109 0.000 2.482 259 S HA 0.599 5.069 4.470 -0.000 0.000 0.303 259 S C 1.139 175.714 174.600 -0.042 0.000 1.091 259 S CA -0.459 57.698 58.200 -0.073 0.000 1.057 259 S CB 0.836 64.000 63.200 -0.060 0.000 1.031 259 S HN 0.952 nan 8.310 nan 0.000 0.485 260 V N 4.522 124.419 119.914 -0.028 0.000 2.294 260 V HA -0.253 3.867 4.120 -0.000 0.000 0.232 260 V C 2.346 178.434 176.094 -0.011 0.000 0.982 260 V CA 2.274 64.566 62.300 -0.014 0.000 1.014 260 V CB -1.388 30.436 31.823 0.002 0.000 0.667 260 V HN 1.052 nan 8.190 nan 0.000 0.497 261 A N 0.321 123.138 122.820 -0.004 0.000 2.233 261 A HA 0.427 4.747 4.320 -0.000 0.000 0.230 261 A C 1.728 179.307 177.584 -0.007 0.000 1.347 261 A CA 0.882 52.916 52.037 -0.006 0.000 1.087 261 A CB -1.366 17.631 19.000 -0.005 0.000 0.871 261 A HN 1.957 nan 8.150 nan 0.000 0.519 262 G N -0.871 107.923 108.800 -0.010 0.000 2.179 262 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 262 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 262 G C 0.226 175.131 174.900 0.007 0.000 1.010 262 G CA 0.416 45.513 45.100 -0.005 0.000 0.736 262 G HN 0.538 nan 8.290 nan 0.000 0.513 263 L N -0.358 120.868 121.223 0.004 0.000 2.483 263 L HA 0.431 4.771 4.340 -0.000 0.000 0.277 263 L C 1.530 178.422 176.870 0.037 0.000 1.248 263 L CA 1.336 56.184 54.840 0.014 0.000 0.825 263 L CB 0.147 42.210 42.059 0.006 0.000 1.096 263 L HN 1.305 nan 8.230 nan 0.000 0.512 264 G N 0.233 109.063 108.800 0.049 0.000 2.549 264 G HA2 0.351 4.311 3.960 -0.000 0.000 0.404 264 G HA3 0.351 4.311 3.960 -0.000 0.000 0.404 264 G C -0.478 174.488 174.900 0.108 0.000 1.292 264 G CA -0.407 44.746 45.100 0.089 0.000 0.935 264 G HN 1.237 nan 8.290 nan 0.000 0.512 265 G N -2.509 106.376 108.800 0.141 0.000 2.321 265 G HA2 0.631 4.591 3.960 -0.000 0.000 0.296 265 G HA3 0.631 4.591 3.960 -0.000 0.000 0.296 265 G C -1.217 173.693 174.900 0.016 0.000 1.287 265 G CA 0.675 45.829 45.100 0.091 0.000 0.846 265 G HN 2.289 nan 8.290 nan 0.000 0.508 266 C N 0.669 119.952 119.300 -0.030 0.000 2.481 266 C HA 0.740 5.200 4.460 -0.000 0.000 0.324 266 C C -1.359 173.664 174.990 0.056 0.000 1.170 266 C CA -1.183 57.817 59.018 -0.030 0.000 1.361 266 C CB 1.211 28.859 27.740 -0.154 0.000 1.977 266 C HN 0.554 nan 8.230 nan 0.000 0.459 267 P HA -0.081 nan 4.420 nan 0.000 0.216 267 P C 0.193 177.467 177.300 -0.044 0.000 1.150 267 P CA 1.457 64.567 63.100 0.016 0.000 0.837 267 P CB -0.023 31.660 31.700 -0.028 0.000 0.786 268 Y N -0.911 119.369 120.300 -0.035 0.000 2.471 268 Y HA 0.457 5.007 4.550 -0.000 0.000 0.321 268 Y C 0.992 176.865 175.900 -0.045 0.000 1.195 268 Y CA -0.490 57.577 58.100 -0.055 0.000 1.272 268 Y CB -0.832 37.577 38.460 -0.085 0.000 1.097 268 Y HN -0.111 nan 8.280 nan 0.000 0.507 269 A N -0.580 122.290 122.820 0.083 0.000 2.587 269 A HA 0.537 4.857 4.320 -0.000 0.000 0.293 269 A C -0.873 176.715 177.584 0.006 0.000 1.087 269 A CA -1.050 51.016 52.037 0.048 0.000 0.692 269 A CB 1.142 20.171 19.000 0.049 0.000 1.291 269 A HN 0.184 nan 8.150 nan 0.000 0.407 270 Q N 0.517 120.309 119.800 -0.013 0.000 2.332 270 Q HA 0.367 4.707 4.340 -0.000 0.000 0.263 270 Q C 0.929 176.901 176.000 -0.046 0.000 0.979 270 Q CA 0.270 56.054 55.803 -0.033 0.000 0.885 270 Q CB 0.821 29.534 28.738 -0.043 0.000 1.218 270 Q HN 1.000 nan 8.270 nan 0.000 0.405 271 G N 1.894 110.673 108.800 -0.035 0.000 2.459 271 G HA2 0.033 3.993 3.960 -0.000 0.000 0.290 271 G HA3 0.033 3.993 3.960 -0.000 0.000 0.290 271 G C 0.585 175.458 174.900 -0.046 0.000 0.646 271 G CA 0.651 45.732 45.100 -0.031 0.000 2.078 271 G HN 0.712 nan 8.290 nan 0.000 0.508 272 A N 1.098 123.883 122.820 -0.058 0.000 1.970 272 A HA 0.690 5.010 4.320 -0.000 0.000 0.204 272 A C 1.277 178.841 177.584 -0.034 0.000 1.325 272 A CA 1.358 53.349 52.037 -0.077 0.000 0.767 272 A CB 0.434 19.340 19.000 -0.157 0.000 0.949 272 A HN 1.754 nan 8.150 nan 0.000 0.481 273 S N -4.045 111.653 115.700 -0.004 0.000 2.719 273 S HA 0.466 4.936 4.470 -0.000 0.000 0.272 273 S C 0.159 174.821 174.600 0.104 0.000 0.964 273 S CA -0.259 57.964 58.200 0.039 0.000 0.944 273 S CB 0.076 63.297 63.200 0.035 0.000 1.199 273 S HN 1.313 nan 8.310 nan 0.000 0.461 274 G N 0.758 109.652 108.800 0.156 0.000 3.345 274 G HA2 0.454 4.414 3.960 -0.000 0.000 0.202 274 G HA3 0.454 4.414 3.960 -0.000 0.000 0.202 274 G C -0.342 174.779 174.900 0.367 0.000 1.740 274 G CA -0.635 44.680 45.100 0.358 0.000 0.806 274 G HN 0.812 nan 8.290 nan 0.000 0.718 275 N N 0.481 119.251 118.700 0.116 0.000 2.381 275 N HA 0.084 4.824 4.740 -0.000 0.000 0.241 275 N C -0.156 175.313 175.510 -0.069 0.000 1.279 275 N CA -0.295 52.654 53.050 -0.169 0.000 0.896 275 N CB 1.484 39.878 38.487 -0.156 0.000 1.118 275 N HN 0.256 nan 8.380 nan 0.000 0.438 276 L N 1.208 122.374 121.223 -0.094 0.000 2.456 276 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 276 L C 0.091 176.936 176.870 -0.042 0.000 1.189 276 L CA -0.171 54.645 54.840 -0.041 0.000 0.846 276 L CB 0.251 42.289 42.059 -0.036 0.000 1.111 276 L HN 0.581 nan 8.230 nan 0.000 0.475 277 A N 3.569 126.377 122.820 -0.020 0.000 2.404 277 A HA 0.342 4.662 4.320 -0.000 0.000 0.273 277 A C 1.198 178.771 177.584 -0.018 0.000 1.144 277 A CA 0.222 52.247 52.037 -0.020 0.000 0.806 277 A CB -0.089 18.903 19.000 -0.013 0.000 1.080 277 A HN 0.971 nan 8.150 nan 0.000 0.509 278 T N 2.296 116.835 114.554 -0.025 0.000 2.759 278 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 278 T C 1.539 176.237 174.700 -0.003 0.000 1.042 278 T CA 2.347 64.433 62.100 -0.023 0.000 1.140 278 T CB -0.155 68.694 68.868 -0.031 0.000 0.864 278 T HN 0.822 nan 8.240 nan 0.000 0.455 279 E N 1.109 121.310 120.200 0.001 0.000 2.072 279 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 279 E C 2.040 178.668 176.600 0.047 0.000 0.985 279 E CA 1.112 57.523 56.400 0.018 0.000 0.801 279 E CB -0.186 29.513 29.700 -0.001 0.000 0.750 279 E HN 0.417 nan 8.360 nan 0.000 0.452 280 D N -0.020 120.396 120.400 0.026 0.000 2.144 280 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 280 D C 1.819 178.173 176.300 0.089 0.000 0.978 280 D CA 0.459 54.488 54.000 0.048 0.000 0.833 280 D CB -0.187 40.621 40.800 0.013 0.000 0.961 280 D HN 0.081 nan 8.370 nan 0.000 0.470 281 L N 1.009 122.261 121.223 0.048 0.000 2.005 281 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 281 L C 2.302 179.195 176.870 0.038 0.000 1.072 281 L CA 1.383 56.244 54.840 0.034 0.000 0.744 281 L CB -0.790 41.271 42.059 0.003 0.000 0.895 281 L HN 0.075 nan 8.230 nan 0.000 0.433 282 V N -1.988 117.948 119.914 0.036 0.000 2.407 282 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 282 V C 2.419 178.538 176.094 0.043 0.000 1.055 282 V CA 1.952 64.263 62.300 0.018 0.000 1.049 282 V CB -1.707 30.120 31.823 0.007 0.000 0.662 282 V HN 0.600 nan 8.190 nan 0.000 0.455 283 Y N 0.716 121.002 120.300 -0.025 0.000 2.128 283 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 283 Y C 2.715 178.606 175.900 -0.015 0.000 1.154 283 Y CA 2.755 60.844 58.100 -0.019 0.000 1.149 283 Y CB -0.223 38.228 38.460 -0.014 0.000 0.976 283 Y HN 0.267 nan 8.280 nan 0.000 0.505 284 M N -0.680 118.965 119.600 0.075 0.000 2.117 284 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 284 M C 1.922 178.179 176.300 -0.072 0.000 1.065 284 M CA 1.812 57.108 55.300 -0.007 0.000 1.114 284 M CB -0.294 32.335 32.600 0.048 0.000 1.361 284 M HN 0.419 nan 8.290 nan 0.000 0.408 285 L N -0.126 121.067 121.223 -0.050 0.000 2.017 285 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 285 L C 2.288 179.107 176.870 -0.086 0.000 1.073 285 L CA 1.545 56.352 54.840 -0.055 0.000 0.745 285 L CB -0.860 41.175 42.059 -0.040 0.000 0.894 285 L HN 0.373 nan 8.230 nan 0.000 0.432 286 E N 0.066 120.193 120.200 -0.123 0.000 2.110 286 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 286 E C 2.200 178.700 176.600 -0.166 0.000 0.988 286 E CA 1.051 57.367 56.400 -0.139 0.000 0.804 286 E CB -0.282 29.322 29.700 -0.159 0.000 0.745 286 E HN 0.575 nan 8.360 nan 0.000 0.458 287 G N 1.004 109.659 108.800 -0.242 0.000 2.418 287 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 287 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 287 G C 1.366 176.197 174.900 -0.115 0.000 1.158 287 G CA 0.416 45.388 45.100 -0.214 0.000 0.771 287 G HN 0.077 nan 8.290 nan 0.000 0.545 288 L N 0.984 122.154 121.223 -0.089 0.000 2.551 288 L HA 0.271 4.611 4.340 -0.000 0.000 0.228 288 L C 2.165 179.012 176.870 -0.039 0.000 1.153 288 L CA 0.756 55.565 54.840 -0.051 0.000 0.851 288 L CB -0.560 41.477 42.059 -0.036 0.000 0.959 288 L HN 0.430 nan 8.230 nan 0.000 0.451 289 G N -0.369 108.403 108.800 -0.047 0.000 2.147 289 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 289 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 289 G C 0.429 175.327 174.900 -0.005 0.000 1.005 289 G CA 0.130 45.214 45.100 -0.026 0.000 0.713 289 G HN 0.322 nan 8.290 nan 0.000 0.515 290 I N 0.508 121.071 120.570 -0.011 0.000 2.428 290 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 290 I C 0.955 177.088 176.117 0.028 0.000 1.019 290 I CA -0.962 60.347 61.300 0.016 0.000 1.351 290 I CB 0.871 38.873 38.000 0.003 0.000 1.412 290 I HN 0.283 nan 8.210 nan 0.000 0.513 291 H N 4.373 123.432 119.070 -0.018 0.000 2.848 291 H HA 0.099 4.654 4.556 -0.000 0.000 0.317 291 H C 0.798 176.117 175.328 -0.014 0.000 1.046 291 H CA 0.355 56.394 56.048 -0.015 0.000 1.470 291 H CB 0.966 30.721 29.762 -0.011 0.000 1.483 291 H HN 0.720 nan 8.280 nan 0.000 0.548 292 T N 0.364 114.571 114.554 -0.577 0.000 2.964 292 T HA 0.205 4.555 4.350 -0.000 0.000 0.250 292 T C 1.669 176.078 174.700 -0.484 0.000 0.982 292 T CA 0.332 62.209 62.100 -0.371 0.000 0.959 292 T CB -0.122 68.630 68.868 -0.193 0.000 1.141 292 T HN 0.895 nan 8.240 nan 0.000 0.494 293 G N 1.140 109.505 108.800 -0.725 0.000 2.168 293 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.263 293 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.263 293 G C 0.043 174.849 174.900 -0.156 0.000 0.977 293 G CA 0.194 45.080 45.100 -0.356 0.000 0.659 293 G HN 0.801 nan 8.290 nan 0.000 0.533 294 V N 1.303 121.122 119.914 -0.159 0.000 2.427 294 V HA 0.452 4.572 4.120 -0.000 0.000 0.286 294 V C 0.408 176.463 176.094 -0.066 0.000 1.034 294 V CA -1.046 61.199 62.300 -0.092 0.000 0.893 294 V CB 1.773 33.546 31.823 -0.082 0.000 0.982 294 V HN 0.392 nan 8.190 nan 0.000 0.452 295 N N 4.165 122.839 118.700 -0.042 0.000 2.415 295 N HA 0.063 4.803 4.740 -0.000 0.000 0.246 295 N C 0.713 176.214 175.510 -0.015 0.000 1.078 295 N CA -0.364 52.672 53.050 -0.023 0.000 0.942 295 N CB 1.290 39.769 38.487 -0.013 0.000 1.140 295 N HN 0.629 nan 8.380 nan 0.000 0.501 296 L N 4.777 125.998 121.223 -0.004 0.000 1.990 296 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 296 L C 2.034 178.913 176.870 0.015 0.000 1.072 296 L CA 1.920 56.769 54.840 0.015 0.000 0.755 296 L CB -0.599 41.488 42.059 0.045 0.000 0.889 296 L HN 0.573 nan 8.230 nan 0.000 0.432 297 Q N 0.111 119.920 119.800 0.016 0.000 2.096 297 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 297 Q C 2.194 178.198 176.000 0.007 0.000 0.982 297 Q CA 1.816 57.627 55.803 0.014 0.000 0.850 297 Q CB -0.666 28.081 28.738 0.014 0.000 0.901 297 Q HN 0.590 nan 8.270 nan 0.000 0.422 298 K N 0.488 120.888 120.400 0.001 0.000 2.148 298 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 298 K C 2.213 178.808 176.600 -0.009 0.000 1.050 298 K CA 0.366 56.650 56.287 -0.007 0.000 0.942 298 K CB -0.183 32.309 32.500 -0.014 0.000 0.724 298 K HN 0.195 nan 8.250 nan 0.000 0.446 299 L N 1.130 122.348 121.223 -0.009 0.000 2.017 299 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 299 L C 2.267 179.140 176.870 0.005 0.000 1.073 299 L CA 1.190 56.025 54.840 -0.008 0.000 0.745 299 L CB -0.244 41.810 42.059 -0.009 0.000 0.894 299 L HN 0.188 nan 8.230 nan 0.000 0.432 300 L N -0.371 120.857 121.223 0.008 0.000 2.079 300 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 300 L C 2.456 179.341 176.870 0.025 0.000 1.081 300 L CA 1.470 56.318 54.840 0.012 0.000 0.752 300 L CB -0.477 41.587 42.059 0.008 0.000 0.896 300 L HN 0.325 nan 8.230 nan 0.000 0.433 301 E N -0.137 120.078 120.200 0.026 0.000 2.077 301 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 301 E C 2.311 178.957 176.600 0.077 0.000 0.989 301 E CA 1.159 57.584 56.400 0.042 0.000 0.800 301 E CB -0.173 29.539 29.700 0.020 0.000 0.746 301 E HN 0.523 nan 8.360 nan 0.000 0.452 302 A N 1.003 123.856 122.820 0.054 0.000 1.902 302 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 302 A C 2.430 180.094 177.584 0.134 0.000 1.181 302 A CA 1.677 53.768 52.037 0.090 0.000 0.623 302 A CB -1.124 17.896 19.000 0.033 0.000 0.818 302 A HN 0.371 nan 8.150 nan 0.000 0.443 303 G N -0.160 108.683 108.800 0.072 0.000 2.422 303 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 303 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 303 G C 1.482 176.413 174.900 0.051 0.000 1.146 303 G CA 1.361 46.491 45.100 0.051 0.000 0.769 303 G HN 0.623 nan 8.290 nan 0.000 0.547 304 N N -0.350 118.388 118.700 0.064 0.000 2.216 304 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 304 N C 1.795 177.347 175.510 0.069 0.000 1.017 304 N CA 0.908 53.988 53.050 0.051 0.000 0.861 304 N CB -0.319 38.199 38.487 0.052 0.000 0.986 304 N HN 0.259 nan 8.380 nan 0.000 0.428 305 F N 0.456 120.401 119.950 -0.009 0.000 2.134 305 F HA -0.059 4.468 4.527 0.000 0.000 0.299 305 F C 1.940 177.736 175.800 -0.008 0.000 1.097 305 F CA 0.949 58.945 58.000 -0.007 0.000 1.264 305 F CB -0.448 38.548 39.000 -0.007 0.000 1.001 305 F HN 0.127 nan 8.300 nan 0.000 0.479 306 I N -0.168 120.352 120.570 -0.083 0.000 2.439 306 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 306 I C 2.137 178.150 176.117 -0.175 0.000 1.139 306 I CA 1.214 62.403 61.300 -0.185 0.000 1.438 306 I CB -0.962 37.044 38.000 0.010 0.000 1.085 306 I HN 0.300 nan 8.210 nan 0.000 0.427 307 C N 0.226 119.464 119.300 -0.102 0.000 2.440 307 C HA -0.108 4.352 4.460 -0.000 0.000 0.278 307 C C 2.671 177.594 174.990 -0.111 0.000 1.295 307 C CA 0.730 59.698 59.018 -0.082 0.000 1.738 307 C CB -1.019 26.695 27.740 -0.043 0.000 1.987 307 C HN 0.542 nan 8.230 nan 0.000 0.492 308 Q N 0.594 120.309 119.800 -0.142 0.000 2.079 308 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 308 Q C 2.477 178.366 176.000 -0.185 0.000 0.974 308 Q CA 1.719 57.439 55.803 -0.138 0.000 0.840 308 Q CB -0.326 28.341 28.738 -0.117 0.000 0.898 308 Q HN 0.732 nan 8.270 nan 0.000 0.430 309 A N 0.422 123.054 122.820 -0.313 0.000 2.015 309 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 309 A C 1.854 179.329 177.584 -0.181 0.000 1.163 309 A CA 0.845 52.702 52.037 -0.299 0.000 0.646 309 A CB -0.169 18.532 19.000 -0.499 0.000 0.806 309 A HN 0.257 nan 8.150 nan 0.000 0.448 310 L N -0.197 120.932 121.223 -0.157 0.000 2.509 310 L HA 0.152 4.492 4.340 -0.000 0.000 0.222 310 L C 0.856 177.682 176.870 -0.073 0.000 1.123 310 L CA 0.776 55.558 54.840 -0.097 0.000 0.856 310 L CB -1.060 40.950 42.059 -0.082 0.000 0.985 310 L HN 0.662 nan 8.230 nan 0.000 0.456 311 N N 0.698 119.350 118.700 -0.080 0.000 2.727 311 N HA -0.250 4.490 4.740 -0.000 0.000 0.251 311 N C -0.475 175.008 175.510 -0.045 0.000 1.040 311 N CA 0.627 53.642 53.050 -0.058 0.000 0.712 311 N CB -0.344 38.113 38.487 -0.049 0.000 0.912 311 N HN 0.500 nan 8.380 nan 0.000 0.545 312 R N -0.517 119.956 120.500 -0.045 0.000 2.698 312 R HA 0.501 4.841 4.340 -0.000 0.000 0.275 312 R C -1.260 175.022 176.300 -0.031 0.000 1.001 312 R CA -1.031 55.049 56.100 -0.034 0.000 0.896 312 R CB 0.637 30.919 30.300 -0.030 0.000 1.218 312 R HN -0.156 nan 8.270 nan 0.000 0.462 313 K N 1.289 121.674 120.400 -0.025 0.000 2.249 313 K HA 0.183 4.503 4.320 -0.000 0.000 0.280 313 K C -0.174 176.414 176.600 -0.020 0.000 1.033 313 K CA -0.376 55.898 56.287 -0.022 0.000 0.946 313 K CB 1.441 33.930 32.500 -0.020 0.000 1.005 313 K HN 0.780 nan 8.250 nan 0.000 0.469 314 T N 0.989 115.531 114.554 -0.019 0.000 2.934 314 T HA -0.018 4.332 4.350 -0.000 0.000 0.306 314 T C 0.893 175.584 174.700 -0.016 0.000 1.042 314 T CA 0.294 62.384 62.100 -0.017 0.000 1.145 314 T CB 0.212 69.070 68.868 -0.016 0.000 0.982 314 T HN 0.468 nan 8.240 nan 0.000 0.544 315 S N 2.914 118.606 115.700 -0.012 0.000 2.575 315 S HA 0.141 4.611 4.470 -0.000 0.000 0.215 315 S C 0.809 175.401 174.600 -0.014 0.000 0.966 315 S CA -0.250 57.944 58.200 -0.010 0.000 0.911 315 S CB 0.160 63.359 63.200 -0.002 0.000 0.780 315 S HN 0.767 nan 8.310 nan 0.000 0.514 316 S N 1.991 117.680 115.700 -0.019 0.000 2.481 316 S HA 0.177 4.647 4.470 -0.000 0.000 0.276 316 S C 1.229 175.805 174.600 -0.040 0.000 1.247 316 S CA -0.568 57.616 58.200 -0.026 0.000 1.053 316 S CB 0.345 63.530 63.200 -0.026 0.000 0.925 316 S HN 0.079 nan 8.310 nan 0.000 0.491 317 K N 3.958 124.330 120.400 -0.047 0.000 2.097 317 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 317 K C 1.988 178.529 176.600 -0.099 0.000 1.050 317 K CA 0.934 57.184 56.287 -0.063 0.000 0.938 317 K CB -0.718 31.746 32.500 -0.060 0.000 0.718 317 K HN 0.578 nan 8.250 nan 0.000 0.442 318 V N 1.579 121.417 119.914 -0.126 0.000 2.407 318 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 318 V C 2.443 178.468 176.094 -0.114 0.000 1.055 318 V CA 1.888 64.078 62.300 -0.184 0.000 1.049 318 V CB -0.739 30.965 31.823 -0.199 0.000 0.662 318 V HN 0.266 nan 8.190 nan 0.000 0.455 319 A N -0.501 122.276 122.820 -0.071 0.000 1.930 319 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 319 A C 2.167 179.724 177.584 -0.044 0.000 1.175 319 A CA 1.709 53.718 52.037 -0.045 0.000 0.627 319 A CB -0.388 18.595 19.000 -0.029 0.000 0.815 319 A HN 0.641 nan 8.150 nan 0.000 0.443 320 Q N -0.659 119.112 119.800 -0.048 0.000 2.172 320 Q HA 0.041 4.381 4.340 -0.000 0.000 0.200 320 Q C 2.194 178.165 176.000 -0.047 0.000 0.964 320 Q CA 1.245 57.024 55.803 -0.041 0.000 0.855 320 Q CB -0.282 28.433 28.738 -0.038 0.000 0.918 320 Q HN 0.661 nan 8.270 nan 0.000 0.444 321 A N 0.140 122.919 122.820 -0.067 0.000 2.030 321 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 321 A C 2.097 179.643 177.584 -0.063 0.000 1.164 321 A CA 1.043 53.037 52.037 -0.071 0.000 0.697 321 A CB -0.272 18.665 19.000 -0.104 0.000 0.827 321 A HN 0.205 nan 8.150 nan 0.000 0.457 322 T N -1.623 112.891 114.554 -0.067 0.000 2.770 322 T HA 0.116 4.466 4.350 -0.000 0.000 0.263 322 T C 0.601 175.285 174.700 -0.026 0.000 1.039 322 T CA 1.436 63.509 62.100 -0.046 0.000 1.142 322 T CB -0.437 68.406 68.868 -0.042 0.000 0.868 322 T HN 0.658 nan 8.240 nan 0.000 0.435 323 C N 0.000 119.285 119.300 -0.024 0.000 2.653 323 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 323 C CA 0.000 59.009 59.018 -0.015 0.000 1.963 323 C CB 0.000 27.736 27.740 -0.007 0.000 2.134 323 C HN 0.000 nan 8.230 nan 0.000 0.568