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 3os6_1_C DATA FIRST_RESID 10 DATA SEQUENCE LSEKLLEDYK TESSLFFASP TRTILAEGEF TTVKHHEIES FPELVQAVLR DATA SEQUENCE NAKQAGNPNP IVVGALPFDR RKEVQLIVPE YSRISERLQL DPTXXXXXXX DATA SEQUENCE XLTFEXTPVP DHEVYXKGVK QGIEKIKDGD LKKIVLSRSL DVKSSGKIDK DATA SEQUENCE QKLLRELAEH NKHGYTFAVN LPKDENENSK TLIGASPELL VSRHGXQVIS DATA SEQUENCE NPLAGSRPRS DDPVEDKRRA EELLSSPKDL HEHAVVVEAV AAALRPYCHT DATA SEQUENCE LYVPEKPSVI HSEAXWHLST EVKGELKNPN TSSLELAIAL HPTPAVCGTP DATA SEQUENCE XEEAREAIQK IEPFDREFFT GXLGWSDLNG DGEWIVTIRC AEVQENTLRL DATA SEQUENCE YAGAGVVAES KPEDELAETS AKFQTXLKAL GLN 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.889 176.870 0.032 0.000 1.165 10 L CA 0.000 54.851 54.840 0.018 0.000 0.813 10 L CB 0.000 42.065 42.059 0.010 0.000 0.961 11 S N -0.097 115.618 115.700 0.025 0.000 2.370 11 S HA -0.269 4.201 4.470 0.000 0.000 0.226 11 S C 1.712 176.360 174.600 0.081 0.000 1.033 11 S CA 1.865 60.091 58.200 0.044 0.000 1.011 11 S CB -0.591 62.620 63.200 0.020 0.000 0.852 11 S HN 0.610 nan 8.310 nan 0.000 0.457 12 E N 0.940 121.170 120.200 0.051 0.000 2.204 12 E HA -0.114 4.236 4.350 0.000 0.000 0.194 12 E C 2.113 178.743 176.600 0.050 0.000 0.989 12 E CA 0.927 57.355 56.400 0.047 0.000 0.824 12 E CB -0.098 29.612 29.700 0.016 0.000 0.756 12 E HN 0.485 nan 8.360 nan 0.000 0.477 13 K N 0.299 120.728 120.400 0.049 0.000 2.063 13 K HA -0.093 4.227 4.320 0.000 0.000 0.208 13 K C 2.092 178.741 176.600 0.082 0.000 1.048 13 K CA 1.250 57.567 56.287 0.051 0.000 0.928 13 K CB -0.585 31.941 32.500 0.042 0.000 0.713 13 K HN 0.303 nan 8.250 nan 0.000 0.442 14 L N -0.047 121.249 121.223 0.122 0.000 2.046 14 L HA -0.123 4.217 4.340 0.000 0.000 0.208 14 L C 2.552 179.572 176.870 0.250 0.000 1.077 14 L CA 1.274 56.233 54.840 0.198 0.000 0.747 14 L CB -0.626 41.567 42.059 0.223 0.000 0.896 14 L HN 0.255 nan 8.230 nan 0.000 0.432 15 L N 0.271 121.617 121.223 0.205 0.000 2.042 15 L HA -0.218 4.122 4.340 0.000 0.000 0.210 15 L C 2.374 179.209 176.870 -0.059 0.000 1.076 15 L CA 1.809 56.602 54.840 -0.078 0.000 0.749 15 L CB -0.544 41.449 42.059 -0.110 0.000 0.893 15 L HN 0.211 nan 8.230 nan 0.000 0.432 16 E N -0.745 119.458 120.200 0.005 0.000 2.153 16 E HA -0.207 4.143 4.350 0.000 0.000 0.194 16 E C 1.298 177.917 176.600 0.032 0.000 0.988 16 E CA 1.206 57.612 56.400 0.010 0.000 0.811 16 E CB -0.109 29.599 29.700 0.014 0.000 0.746 16 E HN 0.553 nan 8.360 nan 0.000 0.466 17 D N -0.382 120.054 120.400 0.060 0.000 2.355 17 D HA -0.056 4.584 4.640 0.000 0.000 0.218 17 D C -0.032 176.300 176.300 0.053 0.000 1.004 17 D CA 0.152 54.187 54.000 0.058 0.000 0.880 17 D CB -0.185 40.661 40.800 0.077 0.000 0.911 17 D HN 0.146 nan 8.370 nan 0.000 0.528 18 Y N 1.950 122.236 120.300 -0.024 0.000 2.610 18 Y HA 0.114 4.664 4.550 0.000 0.000 0.332 18 Y C 0.080 175.965 175.900 -0.024 0.000 1.201 18 Y CA 0.170 58.253 58.100 -0.027 0.000 1.465 18 Y CB 0.285 38.657 38.460 -0.148 0.000 1.283 18 Y HN -0.307 nan 8.280 nan 0.000 0.563 19 K N 2.521 122.354 120.400 -0.945 0.000 2.495 19 K HA 0.293 4.613 4.320 0.000 0.000 0.268 19 K C 0.543 176.670 176.600 -0.790 0.000 1.008 19 K CA -0.580 55.323 56.287 -0.640 0.000 0.882 19 K CB 1.841 34.170 32.500 -0.285 0.000 1.443 19 K HN 0.521 nan 8.250 nan 0.000 0.447 20 T N 0.562 114.893 114.554 -0.371 0.000 3.051 20 T HA -0.121 4.229 4.350 0.000 0.000 0.269 20 T C 1.055 175.684 174.700 -0.117 0.000 1.127 20 T CA 1.250 63.242 62.100 -0.182 0.000 1.107 20 T CB -0.144 68.697 68.868 -0.045 0.000 0.898 20 T HN 0.675 nan 8.240 nan 0.000 0.517 21 E N 1.072 121.189 120.200 -0.138 0.000 2.479 21 E HA 0.127 4.477 4.350 0.000 0.000 0.193 21 E C -0.008 176.540 176.600 -0.087 0.000 1.049 21 E CA -0.141 56.212 56.400 -0.078 0.000 0.870 21 E CB 0.097 29.765 29.700 -0.054 0.000 0.944 21 E HN 0.166 nan 8.360 nan 0.000 0.492 22 S N 1.036 116.644 115.700 -0.153 0.000 2.564 22 S HA 0.108 4.578 4.470 0.000 0.000 0.278 22 S C 0.773 175.398 174.600 0.043 0.000 1.333 22 S CA -0.439 57.718 58.200 -0.072 0.000 1.048 22 S CB 1.654 64.817 63.200 -0.062 0.000 0.900 22 S HN 0.165 nan 8.310 nan 0.000 0.505 23 S N 0.881 116.610 115.700 0.047 0.000 2.406 23 S HA 0.164 4.634 4.470 0.000 0.000 0.224 23 S C 0.086 174.766 174.600 0.133 0.000 1.030 23 S CA 0.240 58.485 58.200 0.074 0.000 0.958 23 S CB -0.147 63.075 63.200 0.037 0.000 0.811 23 S HN 0.538 nan 8.310 nan 0.000 0.489 24 L N 0.301 121.620 121.223 0.161 0.000 2.543 24 L HA 0.571 4.911 4.340 0.000 0.000 0.265 24 L C -1.941 175.101 176.870 0.287 0.000 0.945 24 L CA -0.657 54.306 54.840 0.204 0.000 0.869 24 L CB 1.544 43.661 42.059 0.096 0.000 1.294 24 L HN 0.110 nan 8.230 nan 0.000 0.405 25 F N 5.837 125.912 119.950 0.207 0.000 2.436 25 F HA 0.730 5.257 4.527 0.000 0.000 0.340 25 F C -1.620 174.327 175.800 0.246 0.000 1.113 25 F CA -0.625 57.469 58.000 0.158 0.000 1.022 25 F CB 1.391 40.395 39.000 0.008 0.000 1.128 25 F HN 0.433 nan 8.300 nan 0.000 0.466 26 F N 5.604 125.162 119.950 -0.654 0.000 2.730 26 F HA 0.678 5.205 4.527 0.000 0.000 0.335 26 F C -1.462 174.053 175.800 -0.474 0.000 1.212 26 F CA -0.568 57.242 58.000 -0.316 0.000 1.016 26 F CB 1.144 40.080 39.000 -0.106 0.000 1.290 26 F HN 0.627 nan 8.300 nan 0.000 0.495 27 A N 4.640 127.092 122.820 -0.614 0.000 2.293 27 A HA 0.683 5.003 4.320 0.000 0.000 0.312 27 A C -0.618 176.706 177.584 -0.433 0.000 1.309 27 A CA -0.031 51.746 52.037 -0.433 0.000 0.839 27 A CB 0.460 19.327 19.000 -0.221 0.000 1.155 27 A HN 0.835 nan 8.150 nan 0.000 0.501 28 S N 2.083 117.580 115.700 -0.338 0.000 2.726 28 S HA 0.735 5.205 4.470 0.000 0.000 0.308 28 S C -2.401 172.031 174.600 -0.280 0.000 1.115 28 S CA -1.432 56.531 58.200 -0.394 0.000 0.965 28 S CB 1.408 64.655 63.200 0.079 0.000 1.145 28 S HN 0.199 nan 8.310 nan 0.000 0.532 29 P HA 0.045 nan 4.420 nan 0.000 0.226 29 P C 1.176 178.444 177.300 -0.054 0.000 1.153 29 P CA 1.110 64.113 63.100 -0.161 0.000 0.777 29 P CB -0.166 31.445 31.700 -0.148 0.000 0.794 30 T N -4.035 110.524 114.554 0.008 0.000 3.060 30 T HA 0.188 4.538 4.350 0.000 0.000 0.249 30 T C 0.658 175.364 174.700 0.010 0.000 1.079 30 T CA -0.286 61.828 62.100 0.023 0.000 1.013 30 T CB -0.015 68.893 68.868 0.066 0.000 0.975 30 T HN 0.161 nan 8.240 nan 0.000 0.518 31 R N -0.840 119.661 120.500 0.003 0.000 2.993 31 R HA 0.366 4.706 4.340 0.000 0.000 0.288 31 R C -2.195 174.062 176.300 -0.071 0.000 0.982 31 R CA -0.741 55.340 56.100 -0.031 0.000 0.832 31 R CB 0.286 30.566 30.300 -0.034 0.000 1.340 31 R HN 0.009 nan 8.270 nan 0.000 0.516 32 T N 1.555 116.042 114.554 -0.112 0.000 2.921 32 T HA 0.576 4.926 4.350 0.000 0.000 0.297 32 T C -0.530 174.046 174.700 -0.206 0.000 1.013 32 T CA -0.561 61.426 62.100 -0.188 0.000 0.990 32 T CB 1.096 69.878 68.868 -0.144 0.000 1.023 32 T HN 0.385 nan 8.240 nan 0.000 0.447 33 I N 3.154 123.559 120.570 -0.275 0.000 2.433 33 I HA 0.556 4.726 4.170 0.000 0.000 0.292 33 I C -1.156 174.853 176.117 -0.180 0.000 1.001 33 I CA -1.085 60.070 61.300 -0.241 0.000 1.119 33 I CB 1.990 39.794 38.000 -0.325 0.000 1.289 33 I HN 0.331 nan 8.210 nan 0.000 0.438 34 L N 6.541 127.733 121.223 -0.051 0.000 2.349 34 L HA 0.842 5.182 4.340 0.000 0.000 0.278 34 L C -0.646 176.214 176.870 -0.016 0.000 0.996 34 L CA -0.163 54.723 54.840 0.076 0.000 0.825 34 L CB 1.465 43.634 42.059 0.184 0.000 1.243 34 L HN 0.680 nan 8.230 nan 0.000 0.412 35 A N 4.435 127.243 122.820 -0.020 0.000 2.342 35 A HA 0.842 5.162 4.320 0.000 0.000 0.323 35 A C -0.944 176.551 177.584 -0.149 0.000 1.125 35 A CA -0.591 51.380 52.037 -0.110 0.000 0.785 35 A CB 0.998 19.956 19.000 -0.071 0.000 1.221 35 A HN 0.631 nan 8.150 nan 0.000 0.463 36 E N 1.074 121.064 120.200 -0.350 0.000 2.199 36 E HA 0.568 4.918 4.350 0.000 0.000 0.265 36 E C 0.182 176.628 176.600 -0.256 0.000 0.882 36 E CA 0.287 56.467 56.400 -0.367 0.000 0.759 36 E CB 1.796 31.086 29.700 -0.683 0.000 1.148 36 E HN 1.676 nan 8.360 nan 0.000 0.412 37 G N 2.918 111.657 108.800 -0.103 0.000 2.730 37 G HA2 -0.209 3.751 3.960 0.000 0.000 0.686 37 G HA3 -0.209 3.751 3.960 0.000 0.000 0.686 37 G C -0.826 174.099 174.900 0.041 0.000 1.343 37 G CA -0.829 44.266 45.100 -0.009 0.000 0.826 37 G HN 0.530 nan 8.290 nan 0.000 0.582 38 E N 0.738 120.988 120.200 0.083 0.000 2.121 38 E HA 0.440 4.790 4.350 0.000 0.000 0.255 38 E C 0.463 177.159 176.600 0.160 0.000 0.906 38 E CA -0.861 55.599 56.400 0.100 0.000 0.745 38 E CB 1.079 30.819 29.700 0.066 0.000 1.155 38 E HN 0.374 nan 8.360 nan 0.000 0.424 39 F N 2.237 122.199 119.950 0.020 0.000 2.084 39 F HA -0.041 4.486 4.527 0.000 0.000 0.296 39 F C 0.742 176.562 175.800 0.032 0.000 1.111 39 F CA 1.112 59.130 58.000 0.029 0.000 1.224 39 F CB 0.537 39.557 39.000 0.034 0.000 0.991 39 F HN 0.142 nan 8.300 nan 0.000 0.471 40 T N 0.083 114.674 114.554 0.062 0.000 2.886 40 T HA 0.445 4.795 4.350 0.000 0.000 0.292 40 T C -0.721 174.007 174.700 0.045 0.000 1.012 40 T CA -0.579 61.510 62.100 -0.017 0.000 0.982 40 T CB 1.927 70.803 68.868 0.012 0.000 1.018 40 T HN -0.163 nan 8.240 nan 0.000 0.451 41 T N 1.974 116.550 114.554 0.035 0.000 2.829 41 T HA 0.667 5.017 4.350 0.000 0.000 0.280 41 T C -1.057 173.693 174.700 0.084 0.000 0.999 41 T CA -0.573 61.570 62.100 0.071 0.000 0.983 41 T CB 1.746 70.652 68.868 0.063 0.000 0.968 41 T HN 0.437 nan 8.240 nan 0.000 0.446 42 V N 4.035 124.030 119.914 0.135 0.000 2.525 42 V HA 0.594 4.714 4.120 0.000 0.000 0.299 42 V C -1.248 174.997 176.094 0.253 0.000 1.034 42 V CA -0.675 61.729 62.300 0.174 0.000 0.863 42 V CB 1.443 33.359 31.823 0.155 0.000 0.999 42 V HN 0.794 nan 8.190 nan 0.000 0.423 43 K N 4.530 125.048 120.400 0.196 0.000 2.208 43 K HA 0.729 5.049 4.320 0.000 0.000 0.247 43 K C -1.416 175.305 176.600 0.202 0.000 0.953 43 K CA -0.845 55.530 56.287 0.147 0.000 0.837 43 K CB 2.124 34.678 32.500 0.090 0.000 1.131 43 K HN 0.834 nan 8.250 nan 0.000 0.431 44 H N -0.215 118.810 119.070 -0.075 0.000 3.046 44 H HA 0.149 4.705 4.556 0.000 0.000 0.363 44 H C 0.116 175.413 175.328 -0.053 0.000 1.203 44 H CA -0.682 55.358 56.048 -0.014 0.000 1.169 44 H CB 1.023 30.805 29.762 0.034 0.000 1.851 44 H HN 0.827 nan 8.280 nan 0.000 0.546 45 H N 1.001 119.760 119.070 -0.518 0.000 2.502 45 H HA 0.158 4.714 4.556 0.000 0.000 0.283 45 H C -0.062 175.061 175.328 -0.341 0.000 1.015 45 H CA 0.379 56.210 56.048 -0.362 0.000 1.298 45 H CB 0.762 30.352 29.762 -0.287 0.000 1.411 45 H HN 0.237 nan 8.280 nan 0.000 0.556 46 E N 0.767 120.446 120.200 -0.870 0.000 2.220 46 E HA 0.162 4.512 4.350 0.000 0.000 0.256 46 E C 0.527 177.005 176.600 -0.203 0.000 0.881 46 E CA -0.576 55.442 56.400 -0.635 0.000 0.766 46 E CB 0.789 29.985 29.700 -0.841 0.000 1.187 46 E HN 0.412 nan 8.360 nan 0.000 0.419 47 I N 3.511 123.971 120.570 -0.184 0.000 2.248 47 I HA -0.245 3.925 4.170 0.000 0.000 0.248 47 I C 1.206 177.330 176.117 0.013 0.000 1.107 47 I CA 1.264 62.509 61.300 -0.092 0.000 1.373 47 I CB 0.411 38.342 38.000 -0.115 0.000 1.055 47 I HN 0.538 nan 8.210 nan 0.000 0.418 48 E N 0.436 120.619 120.200 -0.029 0.000 2.204 48 E HA -0.148 4.202 4.350 0.000 0.000 0.195 48 E C 1.948 178.577 176.600 0.049 0.000 0.990 48 E CA 1.421 57.818 56.400 -0.004 0.000 0.821 48 E CB -0.147 29.532 29.700 -0.035 0.000 0.750 48 E HN 0.618 nan 8.360 nan 0.000 0.477 49 S N -0.595 115.175 115.700 0.118 0.000 2.575 49 S HA 0.107 4.577 4.470 0.000 0.000 0.237 49 S C 1.265 175.965 174.600 0.166 0.000 0.975 49 S CA -0.568 57.727 58.200 0.157 0.000 0.960 49 S CB -0.183 63.158 63.200 0.235 0.000 0.822 49 S HN 0.039 nan 8.310 nan 0.000 0.472 50 F N 3.596 123.538 119.950 -0.013 0.000 2.163 50 F HA 0.265 4.792 4.527 0.000 0.000 0.297 50 F C -1.284 174.429 175.800 -0.145 0.000 1.094 50 F CA 0.095 58.026 58.000 -0.115 0.000 1.290 50 F CB -1.287 37.690 39.000 -0.039 0.000 1.017 50 F HN 0.158 nan 8.300 nan 0.000 0.483 51 P HA -0.215 nan 4.420 nan 0.000 0.216 51 P C 1.487 178.671 177.300 -0.193 0.000 1.153 51 P CA 1.955 64.928 63.100 -0.212 0.000 0.858 51 P CB 0.043 31.665 31.700 -0.129 0.000 0.789 52 E N -0.928 119.198 120.200 -0.123 0.000 2.106 52 E HA -0.143 4.207 4.350 0.000 0.000 0.192 52 E C 1.761 178.283 176.600 -0.130 0.000 0.984 52 E CA 0.581 56.922 56.400 -0.099 0.000 0.806 52 E CB -1.068 28.601 29.700 -0.052 0.000 0.750 52 E HN 0.007 nan 8.360 nan 0.000 0.458 53 L N -0.410 120.704 121.223 -0.182 0.000 2.046 53 L HA -0.108 4.232 4.340 0.000 0.000 0.208 53 L C 2.084 178.820 176.870 -0.223 0.000 1.077 53 L CA 1.413 56.134 54.840 -0.198 0.000 0.747 53 L CB -0.589 41.305 42.059 -0.274 0.000 0.896 53 L HN 0.056 nan 8.230 nan 0.000 0.432 54 V N -0.372 119.325 119.914 -0.362 0.000 2.343 54 V HA -0.266 3.854 4.120 0.000 0.000 0.247 54 V C 2.699 178.685 176.094 -0.180 0.000 1.051 54 V CA 1.656 63.747 62.300 -0.347 0.000 1.036 54 V CB -0.615 30.887 31.823 -0.535 0.000 0.654 54 V HN 0.520 nan 8.190 nan 0.000 0.451 55 Q N -0.216 119.492 119.800 -0.152 0.000 2.124 55 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 55 Q C 2.418 178.382 176.000 -0.060 0.000 0.977 55 Q CA 1.822 57.573 55.803 -0.086 0.000 0.850 55 Q CB -0.779 27.916 28.738 -0.071 0.000 0.901 55 Q HN 0.651 nan 8.270 nan 0.000 0.429 56 A N 0.219 122.999 122.820 -0.066 0.000 1.933 56 A HA -0.127 4.194 4.320 0.000 0.000 0.218 56 A C 2.408 179.974 177.584 -0.028 0.000 1.175 56 A CA 1.577 53.590 52.037 -0.041 0.000 0.628 56 A CB -0.566 18.410 19.000 -0.040 0.000 0.814 56 A HN 0.219 nan 8.150 nan 0.000 0.444 57 V N -0.156 119.733 119.914 -0.042 0.000 2.453 57 V HA -0.179 3.941 4.120 0.000 0.000 0.247 57 V C 2.491 178.588 176.094 0.005 0.000 1.048 57 V CA 1.613 63.904 62.300 -0.015 0.000 1.049 57 V CB -0.606 31.204 31.823 -0.022 0.000 0.672 57 V HN 0.552 nan 8.190 nan 0.000 0.457 58 L N -0.663 120.554 121.223 -0.009 0.000 2.056 58 L HA -0.129 4.211 4.340 0.000 0.000 0.207 58 L C 2.777 179.657 176.870 0.017 0.000 1.078 58 L CA 1.508 56.354 54.840 0.011 0.000 0.749 58 L CB -0.524 41.536 42.059 0.002 0.000 0.901 58 L HN 0.211 nan 8.230 nan 0.000 0.433 59 R N -0.077 120.426 120.500 0.006 0.000 2.081 59 R HA -0.203 4.137 4.340 0.000 0.000 0.235 59 R C 2.082 178.394 176.300 0.020 0.000 1.131 59 R CA 1.871 57.978 56.100 0.011 0.000 0.960 59 R CB -0.442 29.860 30.300 0.003 0.000 0.856 59 R HN 0.358 nan 8.270 nan 0.000 0.436 60 N N 0.547 119.260 118.700 0.022 0.000 2.120 60 N HA -0.151 4.590 4.740 0.000 0.000 0.188 60 N C 1.654 177.197 175.510 0.055 0.000 1.024 60 N CA 1.555 54.626 53.050 0.034 0.000 0.852 60 N CB -0.097 38.408 38.487 0.031 0.000 1.003 60 N HN 0.212 nan 8.380 nan 0.000 0.424 61 A N 0.620 123.480 122.820 0.066 0.000 1.883 61 A HA -0.221 4.099 4.320 0.000 0.000 0.217 61 A C 2.140 179.760 177.584 0.061 0.000 1.186 61 A CA 2.073 54.164 52.037 0.090 0.000 0.624 61 A CB -0.881 18.179 19.000 0.099 0.000 0.822 61 A HN 0.403 nan 8.150 nan 0.000 0.444 62 K N 0.275 120.699 120.400 0.041 0.000 2.020 62 K HA -0.280 4.040 4.320 0.000 0.000 0.212 62 K C 2.189 178.806 176.600 0.028 0.000 1.050 62 K CA 2.439 58.744 56.287 0.029 0.000 0.929 62 K CB -0.424 32.090 32.500 0.023 0.000 0.714 62 K HN 0.663 nan 8.250 nan 0.000 0.443 63 Q N -0.710 119.108 119.800 0.030 0.000 2.311 63 Q HA 0.127 4.467 4.340 0.000 0.000 0.203 63 Q C 1.603 177.622 176.000 0.033 0.000 0.954 63 Q CA 1.387 57.206 55.803 0.027 0.000 0.885 63 Q CB -0.409 28.343 28.738 0.023 0.000 0.963 63 Q HN 0.273 nan 8.270 nan 0.000 0.471 64 A N 0.554 123.402 122.820 0.048 0.000 2.235 64 A HA 0.476 4.796 4.320 0.000 0.000 0.208 64 A C 1.490 179.102 177.584 0.047 0.000 1.172 64 A CA 0.491 52.565 52.037 0.061 0.000 0.786 64 A CB -0.629 18.431 19.000 0.100 0.000 0.804 64 A HN 0.877 nan 8.150 nan 0.000 0.479 65 G N -0.602 108.215 108.800 0.028 0.000 2.135 65 G HA2 -0.202 3.758 3.960 0.000 0.000 0.183 65 G HA3 -0.202 3.758 3.960 0.000 0.000 0.183 65 G C -0.208 174.683 174.900 -0.015 0.000 1.004 65 G CA 0.031 45.135 45.100 0.006 0.000 0.677 65 G HN 0.596 nan 8.290 nan 0.000 0.512 66 N N 0.939 119.634 118.700 -0.009 0.000 2.414 66 N HA 0.446 5.186 4.740 0.000 0.000 0.256 66 N C -0.536 174.970 175.510 -0.006 0.000 1.029 66 N CA -1.914 51.121 53.050 -0.024 0.000 0.948 66 N CB 1.903 40.379 38.487 -0.018 0.000 1.102 66 N HN 0.104 nan 8.380 nan 0.000 0.496 67 P HA 0.014 nan 4.420 nan 0.000 0.224 67 P C -0.242 177.061 177.300 0.004 0.000 1.157 67 P CA 0.737 63.834 63.100 -0.004 0.000 0.799 67 P CB 0.407 32.100 31.700 -0.011 0.000 0.809 68 N N 0.566 119.269 118.700 0.004 0.000 2.841 68 N HA 0.236 4.976 4.740 0.000 0.000 0.257 68 N C -2.789 172.732 175.510 0.018 0.000 1.396 68 N CA -2.423 50.633 53.050 0.011 0.000 0.823 68 N CB 0.517 39.004 38.487 -0.000 0.000 1.162 68 N HN -0.039 nan 8.380 nan 0.000 0.503 69 P HA 0.323 nan 4.420 nan 0.000 0.285 69 P C -0.352 176.982 177.300 0.057 0.000 1.259 69 P CA -0.436 62.688 63.100 0.040 0.000 0.794 69 P CB 1.210 32.937 31.700 0.045 0.000 0.940 70 I N 0.576 121.182 120.570 0.060 0.000 2.934 70 I HA 0.725 4.895 4.170 0.000 0.000 0.306 70 I C -0.539 175.628 176.117 0.084 0.000 1.110 70 I CA -1.567 59.788 61.300 0.092 0.000 1.019 70 I CB 2.478 40.531 38.000 0.090 0.000 1.227 70 I HN 0.113 nan 8.210 nan 0.000 0.434 71 V N 2.632 122.609 119.914 0.105 0.000 2.630 71 V HA 0.895 5.015 4.120 0.000 0.000 0.305 71 V C -0.042 176.119 176.094 0.111 0.000 1.046 71 V CA -0.560 61.803 62.300 0.104 0.000 0.934 71 V CB 1.173 33.055 31.823 0.097 0.000 1.003 71 V HN 0.901 nan 8.190 nan 0.000 0.451 72 V N 0.249 120.221 119.914 0.096 0.000 3.007 72 V HA 1.138 5.258 4.120 0.000 0.000 0.311 72 V C 0.050 176.209 176.094 0.108 0.000 1.120 72 V CA 0.389 62.717 62.300 0.047 0.000 0.980 72 V CB 1.192 33.020 31.823 0.007 0.000 1.033 72 V HN 2.200 nan 8.190 nan 0.000 0.429 73 G N 1.242 110.103 108.800 0.102 0.000 2.350 73 G HA2 0.712 4.672 3.960 0.000 0.000 0.276 73 G HA3 0.712 4.672 3.960 0.000 0.000 0.276 73 G C -0.879 174.110 174.900 0.149 0.000 1.313 73 G CA 0.151 45.321 45.100 0.117 0.000 0.903 73 G HN 2.205 nan 8.290 nan 0.000 0.490 74 A N -1.136 121.746 122.820 0.104 0.000 2.475 74 A HA 0.876 5.196 4.320 0.000 0.000 0.301 74 A C -1.496 176.236 177.584 0.246 0.000 1.059 74 A CA -0.498 51.608 52.037 0.115 0.000 0.710 74 A CB 1.888 20.847 19.000 -0.069 0.000 1.288 74 A HN 1.231 nan 8.150 nan 0.000 0.408 75 L N 1.698 123.069 121.223 0.246 0.000 2.333 75 L HA 0.691 5.031 4.340 0.000 0.000 0.269 75 L C -2.271 174.705 176.870 0.177 0.000 1.010 75 L CA -1.710 53.238 54.840 0.180 0.000 0.818 75 L CB 1.721 43.738 42.059 -0.070 0.000 1.306 75 L HN 0.438 nan 8.230 nan 0.000 0.430 76 P HA 0.163 nan 4.420 nan 0.000 0.276 76 P C 0.537 177.869 177.300 0.054 0.000 1.261 76 P CA -0.402 62.607 63.100 -0.151 0.000 0.800 76 P CB 0.514 32.019 31.700 -0.324 0.000 1.066 77 F N 0.608 120.523 119.950 -0.058 0.000 2.102 77 F HA -0.121 4.406 4.527 0.000 0.000 0.298 77 F C 0.731 176.534 175.800 0.005 0.000 1.105 77 F CA 1.355 59.368 58.000 0.022 0.000 1.239 77 F CB -0.446 38.501 39.000 -0.088 0.000 0.991 77 F HN 0.163 nan 8.300 nan 0.000 0.474 78 D N 0.864 121.102 120.400 -0.270 0.000 2.352 78 D HA 0.065 4.705 4.640 0.000 0.000 0.245 78 D C 1.191 177.327 176.300 -0.275 0.000 1.224 78 D CA 0.058 53.812 54.000 -0.411 0.000 0.879 78 D CB 0.579 41.275 40.800 -0.173 0.000 1.057 78 D HN 0.273 nan 8.370 nan 0.000 0.491 79 R N 2.480 122.784 120.500 -0.326 0.000 2.249 79 R HA -0.103 4.237 4.340 0.000 0.000 0.230 79 R C 1.610 177.799 176.300 -0.185 0.000 1.121 79 R CA 1.028 57.001 56.100 -0.212 0.000 0.997 79 R CB 0.217 30.372 30.300 -0.242 0.000 0.867 79 R HN 0.386 nan 8.270 nan 0.000 0.465 80 R N 0.303 120.692 120.500 -0.186 0.000 2.240 80 R HA 0.047 4.387 4.340 0.000 0.000 0.203 80 R C 0.410 176.627 176.300 -0.139 0.000 1.011 80 R CA 0.403 56.410 56.100 -0.154 0.000 1.007 80 R CB 0.159 30.380 30.300 -0.132 0.000 0.911 80 R HN 0.068 nan 8.270 nan 0.000 0.468 81 K N 1.528 121.845 120.400 -0.138 0.000 2.230 81 K HA -0.028 4.292 4.320 0.000 0.000 0.253 81 K C 0.168 176.687 176.600 -0.136 0.000 1.008 81 K CA -0.085 56.129 56.287 -0.121 0.000 0.910 81 K CB 0.447 32.870 32.500 -0.129 0.000 0.994 81 K HN 0.042 nan 8.250 nan 0.000 0.495 82 E N 1.262 121.398 120.200 -0.107 0.000 2.413 82 E HA 0.033 4.383 4.350 0.000 0.000 0.263 82 E C -0.797 175.715 176.600 -0.147 0.000 1.015 82 E CA -0.506 55.825 56.400 -0.114 0.000 0.916 82 E CB 0.650 30.318 29.700 -0.052 0.000 0.947 82 E HN 0.326 nan 8.360 nan 0.000 0.440 83 V N 1.605 121.361 119.914 -0.264 0.000 2.715 83 V HA 0.604 4.724 4.120 0.000 0.000 0.310 83 V C -0.857 175.037 176.094 -0.334 0.000 1.054 83 V CA -0.747 61.341 62.300 -0.354 0.000 0.928 83 V CB 1.445 32.871 31.823 -0.662 0.000 1.007 83 V HN 0.864 nan 8.190 nan 0.000 0.437 84 Q N 3.318 123.080 119.800 -0.063 0.000 2.391 84 Q HA 0.811 5.151 4.340 0.000 0.000 0.279 84 Q C -2.231 173.942 176.000 0.290 0.000 1.028 84 Q CA -0.952 54.938 55.803 0.145 0.000 0.836 84 Q CB 2.781 31.597 28.738 0.130 0.000 1.414 84 Q HN 0.813 nan 8.270 nan 0.000 0.397 85 L N 1.651 123.099 121.223 0.376 0.000 2.322 85 L HA 0.697 5.037 4.340 0.000 0.000 0.252 85 L C -0.878 176.102 176.870 0.183 0.000 1.055 85 L CA -1.217 53.788 54.840 0.275 0.000 0.849 85 L CB 2.452 44.684 42.059 0.288 0.000 1.446 85 L HN 0.680 nan 8.230 nan 0.000 0.416 86 I N 0.509 121.163 120.570 0.140 0.000 2.545 86 I HA 0.369 4.539 4.170 0.000 0.000 0.292 86 I C -0.919 175.258 176.117 0.099 0.000 1.040 86 I CA -0.799 60.566 61.300 0.109 0.000 1.068 86 I CB 2.514 40.570 38.000 0.093 0.000 1.251 86 I HN 0.090 nan 8.210 nan 0.000 0.424 87 V N 7.889 127.867 119.914 0.106 0.000 2.364 87 V HA 0.337 4.457 4.120 0.000 0.000 0.272 87 V C -2.057 174.120 176.094 0.138 0.000 1.036 87 V CA -1.537 60.832 62.300 0.114 0.000 0.880 87 V CB 1.020 32.926 31.823 0.139 0.000 0.991 87 V HN 0.528 nan 8.190 nan 0.000 0.460 88 P HA 0.274 nan 4.420 nan 0.000 0.276 88 P C 0.677 178.009 177.300 0.054 0.000 1.244 88 P CA -0.346 62.787 63.100 0.055 0.000 0.801 88 P CB 1.531 33.210 31.700 -0.034 0.000 1.006 89 E N 0.402 120.620 120.200 0.031 0.000 2.038 89 E HA -0.150 4.200 4.350 0.000 0.000 0.195 89 E C 0.135 176.753 176.600 0.029 0.000 1.000 89 E CA 1.900 58.267 56.400 -0.056 0.000 0.803 89 E CB -0.180 29.547 29.700 0.044 0.000 0.750 89 E HN 0.611 nan 8.360 nan 0.000 0.448 90 Y N -2.286 117.972 120.300 -0.070 0.000 2.670 90 Y HA 0.521 5.071 4.550 0.000 0.000 0.334 90 Y C -0.878 174.997 175.900 -0.041 0.000 1.185 90 Y CA -1.300 56.760 58.100 -0.068 0.000 1.053 90 Y CB 1.177 39.593 38.460 -0.074 0.000 1.298 90 Y HN -0.158 nan 8.280 nan 0.000 0.459 91 S N 0.730 116.474 115.700 0.073 0.000 2.546 91 S HA 0.810 5.280 4.470 0.000 0.000 0.274 91 S C -1.455 173.181 174.600 0.059 0.000 1.121 91 S CA -1.173 57.015 58.200 -0.019 0.000 0.887 91 S CB 2.270 65.419 63.200 -0.085 0.000 1.094 91 S HN 0.825 nan 8.310 nan 0.000 0.474 92 R N 0.755 121.274 120.500 0.032 0.000 2.589 92 R HA 0.752 5.092 4.340 0.000 0.000 0.293 92 R C -1.091 175.176 176.300 -0.055 0.000 0.963 92 R CA -0.520 55.592 56.100 0.020 0.000 0.905 92 R CB 1.596 31.935 30.300 0.065 0.000 1.144 92 R HN 0.703 nan 8.270 nan 0.000 0.459 93 I N 1.688 122.214 120.570 -0.073 0.000 2.468 93 I HA 0.258 4.428 4.170 0.000 0.000 0.284 93 I C -0.168 175.901 176.117 -0.080 0.000 1.038 93 I CA -0.315 60.911 61.300 -0.123 0.000 1.083 93 I CB 1.858 39.746 38.000 -0.186 0.000 1.223 93 I HN 0.709 nan 8.210 nan 0.000 0.443 94 S N 4.633 120.291 115.700 -0.070 0.000 2.776 94 S HA 0.589 5.059 4.470 0.000 0.000 0.306 94 S C -0.035 174.534 174.600 -0.052 0.000 1.114 94 S CA -0.817 57.356 58.200 -0.045 0.000 0.973 94 S CB 1.637 64.824 63.200 -0.021 0.000 1.250 94 S HN 0.442 nan 8.310 nan 0.000 0.549 95 E N 0.842 121.019 120.200 -0.037 0.000 2.421 95 E HA 0.177 4.527 4.350 0.000 0.000 0.253 95 E C 0.441 177.017 176.600 -0.041 0.000 1.277 95 E CA -0.354 56.024 56.400 -0.037 0.000 0.968 95 E CB 0.270 29.953 29.700 -0.028 0.000 1.040 95 E HN 0.708 nan 8.360 nan 0.000 0.512 96 R N 0.151 120.625 120.500 -0.044 0.000 2.774 96 R HA 0.176 4.516 4.340 0.000 0.000 0.269 96 R C -0.107 176.166 176.300 -0.045 0.000 1.068 96 R CA -0.640 55.426 56.100 -0.057 0.000 1.180 96 R CB 0.165 30.424 30.300 -0.067 0.000 1.077 96 R HN 0.191 nan 8.270 nan 0.000 0.513 97 L N 1.865 123.058 121.223 -0.049 0.000 2.367 97 L HA 0.104 4.444 4.340 0.000 0.000 0.275 97 L C -0.545 176.300 176.870 -0.041 0.000 1.129 97 L CA 0.637 55.463 54.840 -0.023 0.000 0.839 97 L CB 1.056 43.117 42.059 0.004 0.000 1.133 97 L HN 0.609 nan 8.230 nan 0.000 0.453 98 Q N 7.057 126.838 119.800 -0.032 0.000 2.454 98 Q HA 0.475 4.815 4.340 0.000 0.000 0.255 98 Q C -1.346 174.627 176.000 -0.044 0.000 1.034 98 Q CA -0.128 55.650 55.803 -0.042 0.000 0.736 98 Q CB 1.728 30.447 28.738 -0.032 0.000 1.210 98 Q HN 0.580 nan 8.270 nan 0.000 0.500 99 L N 0.251 121.436 121.223 -0.063 0.000 2.381 99 L HA 0.636 4.976 4.340 0.000 0.000 0.268 99 L C 0.093 176.911 176.870 -0.087 0.000 0.997 99 L CA -0.876 53.923 54.840 -0.069 0.000 0.818 99 L CB 2.057 44.070 42.059 -0.078 0.000 1.310 99 L HN 0.543 nan 8.230 nan 0.000 0.416 100 D N 1.988 122.342 120.400 -0.076 0.000 2.163 100 D HA 0.612 5.252 4.640 0.000 0.000 0.248 100 D C -2.549 173.690 176.300 -0.101 0.000 1.035 100 D CA -1.527 52.423 54.000 -0.083 0.000 0.872 100 D CB 1.108 41.876 40.800 -0.055 0.000 1.183 100 D HN 0.338 nan 8.370 nan 0.000 0.445 101 P HA 0.397 nan 4.420 nan 0.000 0.263 101 P C 0.441 177.709 177.300 -0.054 0.000 1.195 101 P CA 0.282 63.304 63.100 -0.131 0.000 0.762 101 P CB 0.736 32.354 31.700 -0.136 0.000 0.799 112 T N 1.837 116.215 114.554 -0.294 0.000 2.794 112 T HA 0.685 5.036 4.350 0.000 0.000 0.280 112 T C -0.747 173.700 174.700 -0.421 0.000 0.987 112 T CA -0.256 61.714 62.100 -0.217 0.000 0.993 112 T CB 0.846 69.640 68.868 -0.123 0.000 0.939 112 T HN 0.137 nan 8.240 nan 0.000 0.449 113 F N 1.400 121.326 119.950 -0.040 0.000 2.480 113 F HA 0.573 5.100 4.527 0.000 0.000 0.329 113 F C 0.799 176.566 175.800 -0.055 0.000 1.091 113 F CA -0.959 57.011 58.000 -0.049 0.000 0.972 113 F CB 1.597 40.563 39.000 -0.057 0.000 1.150 113 F HN 0.514 nan 8.300 nan 0.000 0.467 117 P HA 0.441 nan 4.420 nan 0.000 0.276 117 P C -0.823 176.415 177.300 -0.103 0.000 1.235 117 P CA -0.449 62.571 63.100 -0.133 0.000 0.772 117 P CB 0.731 32.385 31.700 -0.078 0.000 0.871 118 V N 6.266 126.086 119.914 -0.157 0.000 2.357 118 V HA 0.335 4.455 4.120 0.000 0.000 0.281 118 V C -1.889 174.093 176.094 -0.187 0.000 1.015 118 V CA -1.611 60.606 62.300 -0.139 0.000 0.827 118 V CB 1.482 33.193 31.823 -0.186 0.000 1.018 118 V HN 0.558 nan 8.190 nan 0.000 0.432 119 P HA 0.372 nan 4.420 nan 0.000 0.310 119 P C -0.763 176.592 177.300 0.091 0.000 1.309 119 P CA -0.449 62.702 63.100 0.084 0.000 0.769 119 P CB 1.054 32.856 31.700 0.170 0.000 1.327 120 D N -2.739 117.719 120.400 0.096 0.000 2.360 120 D HA -0.007 4.633 4.640 0.000 0.000 0.242 120 D C 1.342 177.779 176.300 0.229 0.000 1.184 120 D CA -0.139 53.921 54.000 0.101 0.000 0.930 120 D CB -0.117 40.709 40.800 0.043 0.000 1.161 120 D HN 0.377 nan 8.370 nan 0.000 0.447 121 H N -0.392 118.720 119.070 0.070 0.000 2.390 121 H HA -0.141 4.415 4.556 0.000 0.000 0.298 121 H C 1.326 176.747 175.328 0.155 0.000 1.106 121 H CA 1.241 57.358 56.048 0.116 0.000 1.297 121 H CB 0.361 30.168 29.762 0.075 0.000 1.375 121 H HN 0.513 nan 8.280 nan 0.000 0.509 122 E N 0.471 120.806 120.200 0.226 0.000 2.076 122 E HA -0.075 4.275 4.350 0.000 0.000 0.190 122 E C 2.601 179.276 176.600 0.125 0.000 0.979 122 E CA 0.471 56.959 56.400 0.147 0.000 0.807 122 E CB -0.370 29.387 29.700 0.095 0.000 0.761 122 E HN 0.266 nan 8.360 nan 0.000 0.454 123 V N 1.500 121.495 119.914 0.134 0.000 2.332 123 V HA -0.218 3.902 4.120 0.000 0.000 0.248 123 V C 1.642 177.820 176.094 0.140 0.000 1.055 123 V CA 1.267 63.638 62.300 0.119 0.000 1.038 123 V CB -0.695 31.202 31.823 0.123 0.000 0.651 123 V HN 0.190 nan 8.190 nan 0.000 0.450 127 G N 1.043 109.777 108.800 -0.110 0.000 2.408 127 G HA2 0.024 3.985 3.960 0.000 0.000 0.217 127 G HA3 0.024 3.985 3.960 0.000 0.000 0.217 127 G C 1.741 176.542 174.900 -0.164 0.000 1.150 127 G CA 1.630 46.661 45.100 -0.114 0.000 0.776 127 G HN 0.494 nan 8.290 nan 0.000 0.542 128 V N 0.912 120.657 119.914 -0.282 0.000 2.332 128 V HA -0.214 3.906 4.120 0.000 0.000 0.248 128 V C 2.811 178.840 176.094 -0.109 0.000 1.055 128 V CA 2.267 64.432 62.300 -0.225 0.000 1.038 128 V CB -0.407 31.243 31.823 -0.288 0.000 0.651 128 V HN 0.378 nan 8.190 nan 0.000 0.450 129 K N -0.385 119.964 120.400 -0.086 0.000 2.057 129 K HA -0.219 4.101 4.320 0.000 0.000 0.207 129 K C 2.268 178.847 176.600 -0.036 0.000 1.049 129 K CA 1.573 57.833 56.287 -0.045 0.000 0.931 129 K CB -0.275 32.206 32.500 -0.031 0.000 0.714 129 K HN 0.520 nan 8.250 nan 0.000 0.440 130 Q N -0.091 119.686 119.800 -0.039 0.000 2.152 130 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 130 Q C 2.247 178.232 176.000 -0.025 0.000 0.985 130 Q CA 1.590 57.377 55.803 -0.027 0.000 0.863 130 Q CB -0.275 28.449 28.738 -0.024 0.000 0.904 130 Q HN 0.505 nan 8.270 nan 0.000 0.422 131 G N 0.580 109.359 108.800 -0.035 0.000 2.394 131 G HA2 -0.187 3.773 3.960 0.000 0.000 0.214 131 G HA3 -0.187 3.773 3.960 0.000 0.000 0.214 131 G C 1.379 176.268 174.900 -0.017 0.000 1.176 131 G CA 0.468 45.552 45.100 -0.026 0.000 0.786 131 G HN 0.203 nan 8.290 nan 0.000 0.533 132 I N 0.820 121.378 120.570 -0.020 0.000 2.068 132 I HA -0.287 3.883 4.170 0.000 0.000 0.238 132 I C 2.670 178.783 176.117 -0.007 0.000 1.046 132 I CA 2.040 63.334 61.300 -0.011 0.000 1.306 132 I CB -0.332 37.661 38.000 -0.012 0.000 1.023 132 I HN 0.371 nan 8.210 nan 0.000 0.399 133 E N 1.516 121.711 120.200 -0.009 0.000 2.068 133 E HA -0.323 4.028 4.350 0.000 0.000 0.207 133 E C 2.143 178.740 176.600 -0.005 0.000 1.032 133 E CA 1.991 58.387 56.400 -0.006 0.000 0.839 133 E CB -0.093 29.603 29.700 -0.008 0.000 0.758 133 E HN 0.357 nan 8.360 nan 0.000 0.457 134 K N -0.187 120.209 120.400 -0.007 0.000 2.152 134 K HA -0.158 4.162 4.320 0.000 0.000 0.206 134 K C 2.217 178.814 176.600 -0.004 0.000 1.048 134 K CA 1.600 57.883 56.287 -0.006 0.000 0.933 134 K CB -0.179 32.317 32.500 -0.007 0.000 0.721 134 K HN 0.335 nan 8.250 nan 0.000 0.447 135 I N 0.971 121.539 120.570 -0.002 0.000 2.233 135 I HA -0.231 3.939 4.170 0.000 0.000 0.243 135 I C 2.082 178.200 176.117 0.003 0.000 1.093 135 I CA 1.125 62.426 61.300 0.001 0.000 1.380 135 I CB -0.175 37.827 38.000 0.004 0.000 1.067 135 I HN 0.026 nan 8.210 nan 0.000 0.413 136 K N 0.677 121.079 120.400 0.002 0.000 2.218 136 K HA -0.201 4.119 4.320 0.000 0.000 0.205 136 K C 0.950 177.550 176.600 0.001 0.000 1.046 136 K CA 1.402 57.691 56.287 0.003 0.000 0.933 136 K CB -0.231 32.270 32.500 0.002 0.000 0.728 136 K HN 0.305 nan 8.250 nan 0.000 0.454 137 D N -0.660 119.740 120.400 -0.000 0.000 2.349 137 D HA 0.039 4.679 4.640 0.000 0.000 0.224 137 D C 1.004 177.303 176.300 -0.002 0.000 1.029 137 D CA 0.655 54.654 54.000 -0.001 0.000 0.879 137 D CB 0.400 41.199 40.800 -0.002 0.000 0.906 137 D HN 0.367 nan 8.370 nan 0.000 0.528 138 G N 0.266 109.066 108.800 -0.000 0.000 2.168 138 G HA2 -0.435 3.525 3.960 0.000 0.000 0.263 138 G HA3 -0.435 3.525 3.960 0.000 0.000 0.263 138 G C 0.951 175.849 174.900 -0.003 0.000 0.977 138 G CA 1.040 46.139 45.100 -0.001 0.000 0.659 138 G HN 0.508 nan 8.290 nan 0.000 0.533 139 D N -0.461 119.937 120.400 -0.004 0.000 2.224 139 D HA 0.542 5.182 4.640 0.000 0.000 0.205 139 D C 1.186 177.481 176.300 -0.008 0.000 0.965 139 D CA 1.328 55.324 54.000 -0.007 0.000 0.852 139 D CB 0.240 41.036 40.800 -0.007 0.000 0.947 139 D HN 0.611 nan 8.370 nan 0.000 0.494 140 L N -2.958 118.262 121.223 -0.006 0.000 2.393 140 L HA 0.624 4.964 4.340 0.000 0.000 0.260 140 L C 1.656 178.525 176.870 -0.003 0.000 1.002 140 L CA -0.265 54.571 54.840 -0.006 0.000 0.818 140 L CB 2.370 44.425 42.059 -0.006 0.000 1.369 140 L HN 0.110 nan 8.230 nan 0.000 0.412 141 K N 1.342 121.739 120.400 -0.005 0.000 2.172 141 K HA 0.171 4.491 4.320 0.000 0.000 0.203 141 K C 0.599 177.198 176.600 -0.002 0.000 1.040 141 K CA 0.827 57.113 56.287 -0.001 0.000 0.974 141 K CB 0.252 32.748 32.500 -0.007 0.000 0.857 141 K HN 0.446 nan 8.250 nan 0.000 0.464 142 K N 0.233 120.627 120.400 -0.009 0.000 2.345 142 K HA 0.640 4.960 4.320 0.000 0.000 0.255 142 K C -1.678 174.921 176.600 -0.002 0.000 0.934 142 K CA -0.648 55.634 56.287 -0.008 0.000 0.801 142 K CB 1.309 33.797 32.500 -0.020 0.000 1.137 142 K HN 0.315 nan 8.250 nan 0.000 0.424 143 I N 4.830 125.402 120.570 0.004 0.000 2.466 143 I HA 0.412 4.582 4.170 0.000 0.000 0.289 143 I C -1.258 174.869 176.117 0.017 0.000 1.026 143 I CA -1.140 60.165 61.300 0.008 0.000 1.078 143 I CB 1.777 39.779 38.000 0.004 0.000 1.249 143 I HN 0.383 nan 8.210 nan 0.000 0.429 144 V N 8.097 128.021 119.914 0.017 0.000 2.407 144 V HA 0.431 4.551 4.120 0.000 0.000 0.278 144 V C -0.070 176.049 176.094 0.040 0.000 1.037 144 V CA -0.371 61.946 62.300 0.028 0.000 0.900 144 V CB 1.314 33.138 31.823 0.002 0.000 0.983 144 V HN 0.511 nan 8.190 nan 0.000 0.459 145 L N 4.935 126.220 121.223 0.103 0.000 2.365 145 L HA 0.775 5.115 4.340 0.000 0.000 0.273 145 L C 0.058 177.149 176.870 0.367 0.000 1.000 145 L CA -0.081 54.861 54.840 0.170 0.000 0.819 145 L CB 2.379 44.489 42.059 0.085 0.000 1.284 145 L HN 0.846 nan 8.230 nan 0.000 0.418 146 S N 2.500 118.460 115.700 0.434 0.000 2.697 146 S HA 0.902 5.373 4.470 0.000 0.000 0.289 146 S C -0.942 173.985 174.600 0.544 0.000 1.149 146 S CA -0.961 57.507 58.200 0.447 0.000 0.850 146 S CB 2.756 66.257 63.200 0.501 0.000 1.151 146 S HN 0.769 nan 8.310 nan 0.000 0.491 147 R N -0.756 119.891 120.500 0.245 0.000 2.752 147 R HA 0.792 5.132 4.340 0.000 0.000 0.271 147 R C -1.273 174.882 176.300 -0.242 0.000 1.026 147 R CA -0.758 55.342 56.100 0.001 0.000 0.901 147 R CB 1.049 31.263 30.300 -0.144 0.000 1.243 147 R HN 0.945 nan 8.270 nan 0.000 0.463 148 S N 0.256 115.613 115.700 -0.571 0.000 2.671 148 S HA 0.752 5.223 4.470 0.000 0.000 0.299 148 S C -1.180 173.192 174.600 -0.381 0.000 1.116 148 S CA -0.910 56.978 58.200 -0.519 0.000 0.912 148 S CB 1.930 64.576 63.200 -0.924 0.000 1.130 148 S HN 0.528 nan 8.310 nan 0.000 0.501 149 L N 1.675 122.643 121.223 -0.426 0.000 2.491 149 L HA 0.556 4.896 4.340 0.000 0.000 0.267 149 L C -1.856 174.811 176.870 -0.337 0.000 0.971 149 L CA -0.224 54.361 54.840 -0.424 0.000 0.857 149 L CB 1.608 43.253 42.059 -0.690 0.000 1.226 149 L HN 0.743 nan 8.230 nan 0.000 0.408 150 D N 3.886 124.137 120.400 -0.248 0.000 2.277 150 D HA 0.462 5.102 4.640 0.000 0.000 0.249 150 D C -0.688 175.537 176.300 -0.125 0.000 1.134 150 D CA 0.186 54.083 54.000 -0.171 0.000 0.863 150 D CB 2.213 42.937 40.800 -0.126 0.000 1.143 150 D HN 0.241 nan 8.370 nan 0.000 0.458 151 V N 3.580 123.444 119.914 -0.083 0.000 2.443 151 V HA 0.248 4.368 4.120 0.000 0.000 0.293 151 V C 0.117 176.231 176.094 0.032 0.000 1.021 151 V CA -0.832 61.456 62.300 -0.021 0.000 0.848 151 V CB 1.750 33.559 31.823 -0.023 0.000 0.998 151 V HN 0.264 nan 8.190 nan 0.000 0.424 152 K N 2.549 122.974 120.400 0.041 0.000 2.240 152 K HA 0.550 4.870 4.320 0.000 0.000 0.271 152 K C -0.078 176.534 176.600 0.019 0.000 1.018 152 K CA -0.145 56.156 56.287 0.024 0.000 0.874 152 K CB 1.842 34.338 32.500 -0.007 0.000 1.098 152 K HN 0.649 nan 8.250 nan 0.000 0.458 153 S N 0.716 116.401 115.700 -0.024 0.000 2.616 153 S HA 0.074 4.544 4.470 0.000 0.000 0.277 153 S C 1.252 175.718 174.600 -0.223 0.000 1.234 153 S CA -0.613 57.443 58.200 -0.240 0.000 1.028 153 S CB 0.980 64.065 63.200 -0.192 0.000 0.988 153 S HN 0.671 nan 8.310 nan 0.000 0.522 154 S N 2.473 117.982 115.700 -0.317 0.000 2.522 154 S HA 0.230 4.700 4.470 0.000 0.000 0.227 154 S C 0.823 175.329 174.600 -0.156 0.000 0.986 154 S CA 0.190 58.272 58.200 -0.197 0.000 0.929 154 S CB -0.367 62.718 63.200 -0.191 0.000 0.769 154 S HN 0.829 nan 8.310 nan 0.000 0.529 155 G N 0.446 109.138 108.800 -0.180 0.000 2.511 155 G HA2 0.514 4.474 3.960 0.000 0.000 0.318 155 G HA3 0.514 4.474 3.960 0.000 0.000 0.318 155 G C -1.284 173.576 174.900 -0.066 0.000 1.210 155 G CA -1.139 43.896 45.100 -0.107 0.000 0.969 155 G HN 0.294 nan 8.290 nan 0.000 0.484 156 K N 0.555 120.935 120.400 -0.033 0.000 2.416 156 K HA 0.154 4.474 4.320 0.000 0.000 0.283 156 K C -0.007 176.599 176.600 0.010 0.000 1.037 156 K CA -0.297 55.985 56.287 -0.007 0.000 0.995 156 K CB 0.216 32.715 32.500 -0.001 0.000 0.938 156 K HN 0.264 nan 8.250 nan 0.000 0.475 157 I N 3.784 124.372 120.570 0.030 0.000 2.598 157 I HA -0.103 4.067 4.170 0.000 0.000 0.284 157 I C 0.570 176.715 176.117 0.046 0.000 1.140 157 I CA 0.346 61.677 61.300 0.053 0.000 1.420 157 I CB 0.457 38.498 38.000 0.069 0.000 1.387 157 I HN 0.563 nan 8.210 nan 0.000 0.553 158 D N 6.993 127.419 120.400 0.045 0.000 2.422 158 D HA 0.064 4.705 4.640 0.000 0.000 0.227 158 D C 0.952 177.281 176.300 0.048 0.000 1.190 158 D CA -0.007 54.017 54.000 0.041 0.000 0.905 158 D CB 0.649 41.468 40.800 0.030 0.000 1.034 158 D HN 0.414 nan 8.370 nan 0.000 0.507 159 K N 1.829 122.273 120.400 0.073 0.000 2.097 159 K HA -0.166 4.154 4.320 0.000 0.000 0.206 159 K C 1.740 178.385 176.600 0.075 0.000 1.049 159 K CA 0.787 57.130 56.287 0.093 0.000 0.933 159 K CB 0.196 32.804 32.500 0.180 0.000 0.717 159 K HN 0.358 nan 8.250 nan 0.000 0.442 160 Q N 1.578 121.451 119.800 0.122 0.000 2.079 160 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 160 Q C 1.668 177.657 176.000 -0.019 0.000 0.974 160 Q CA 1.638 57.496 55.803 0.092 0.000 0.840 160 Q CB 0.164 28.976 28.738 0.124 0.000 0.898 160 Q HN 0.268 nan 8.270 nan 0.000 0.430 161 K N 0.126 120.524 120.400 -0.003 0.000 2.025 161 K HA -0.150 4.170 4.320 0.000 0.000 0.207 161 K C 2.210 178.788 176.600 -0.037 0.000 1.049 161 K CA 0.987 57.263 56.287 -0.018 0.000 0.933 161 K CB -0.248 32.253 32.500 0.001 0.000 0.714 161 K HN 0.082 nan 8.250 nan 0.000 0.438 162 L N 1.582 122.787 121.223 -0.031 0.000 2.013 162 L HA -0.197 4.143 4.340 0.000 0.000 0.212 162 L C 2.133 178.943 176.870 -0.099 0.000 1.073 162 L CA 1.429 56.240 54.840 -0.049 0.000 0.753 162 L CB -0.631 41.410 42.059 -0.031 0.000 0.890 162 L HN 0.097 nan 8.230 nan 0.000 0.432 163 L N -0.170 120.958 121.223 -0.159 0.000 2.043 163 L HA -0.255 4.085 4.340 0.000 0.000 0.212 163 L C 2.791 179.531 176.870 -0.217 0.000 1.075 163 L CA 2.203 56.887 54.840 -0.260 0.000 0.752 163 L CB -0.724 41.051 42.059 -0.473 0.000 0.891 163 L HN 0.404 nan 8.230 nan 0.000 0.432 164 R N -1.022 119.376 120.500 -0.170 0.000 2.075 164 R HA -0.134 4.206 4.340 0.000 0.000 0.232 164 R C 2.102 178.367 176.300 -0.059 0.000 1.126 164 R CA 1.169 57.195 56.100 -0.123 0.000 0.963 164 R CB -0.147 30.097 30.300 -0.094 0.000 0.858 164 R HN 0.343 nan 8.270 nan 0.000 0.435 165 E N 0.903 121.088 120.200 -0.026 0.000 2.097 165 E HA -0.219 4.131 4.350 0.000 0.000 0.196 165 E C 2.069 178.716 176.600 0.078 0.000 1.000 165 E CA 1.224 57.654 56.400 0.049 0.000 0.804 165 E CB -0.211 29.499 29.700 0.017 0.000 0.740 165 E HN 0.413 nan 8.360 nan 0.000 0.454 166 L N 0.182 121.399 121.223 -0.011 0.000 2.027 166 L HA -0.127 4.213 4.340 0.000 0.000 0.206 166 L C 2.560 179.424 176.870 -0.010 0.000 1.074 166 L CA 1.136 55.965 54.840 -0.018 0.000 0.745 166 L CB -0.510 41.493 42.059 -0.093 0.000 0.898 166 L HN 0.048 nan 8.230 nan 0.000 0.433 167 A N 0.008 122.802 122.820 -0.043 0.000 1.883 167 A HA -0.244 4.076 4.320 0.000 0.000 0.217 167 A C 2.152 179.693 177.584 -0.071 0.000 1.186 167 A CA 1.830 53.843 52.037 -0.039 0.000 0.624 167 A CB -0.537 18.442 19.000 -0.034 0.000 0.822 167 A HN 0.458 nan 8.150 nan 0.000 0.444 168 E N -1.193 118.948 120.200 -0.098 0.000 2.265 168 E HA -0.149 4.202 4.350 0.000 0.000 0.196 168 E C 0.793 177.155 176.600 -0.398 0.000 0.996 168 E CA 0.922 57.183 56.400 -0.231 0.000 0.832 168 E CB -0.119 29.419 29.700 -0.269 0.000 0.756 168 E HN 0.717 nan 8.360 nan 0.000 0.491 169 H N -0.822 118.213 119.070 -0.059 0.000 2.528 169 H HA 0.177 4.733 4.556 0.000 0.000 0.282 169 H C -0.123 175.175 175.328 -0.050 0.000 1.097 169 H CA 0.032 56.049 56.048 -0.052 0.000 1.121 169 H CB 0.308 30.043 29.762 -0.046 0.000 1.590 169 H HN -0.026 nan 8.280 nan 0.000 0.553 170 N N 1.032 119.724 118.700 -0.014 0.000 2.790 170 N HA 0.088 4.828 4.740 0.000 0.000 0.256 170 N C 0.539 175.973 175.510 -0.126 0.000 1.409 170 N CA -0.235 52.796 53.050 -0.032 0.000 0.799 170 N CB 0.654 39.136 38.487 -0.007 0.000 1.170 170 N HN -0.046 nan 8.380 nan 0.000 0.507 171 K N -0.096 120.167 120.400 -0.228 0.000 2.103 171 K HA 0.003 4.323 4.320 0.000 0.000 0.204 171 K C 0.660 176.964 176.600 -0.494 0.000 1.052 171 K CA 1.019 57.050 56.287 -0.426 0.000 0.945 171 K CB 0.119 32.209 32.500 -0.683 0.000 0.722 171 K HN 0.494 nan 8.250 nan 0.000 0.443 172 H N -1.082 117.942 119.070 -0.076 0.000 2.654 172 H HA 0.185 4.741 4.556 0.000 0.000 0.264 172 H C 1.267 176.504 175.328 -0.152 0.000 0.954 172 H CA 0.553 56.536 56.048 -0.107 0.000 1.199 172 H CB 0.535 30.232 29.762 -0.108 0.000 1.446 172 H HN 0.199 nan 8.280 nan 0.000 0.516 173 G N -0.557 108.214 108.800 -0.049 0.000 2.945 173 G HA2 0.366 4.326 3.960 0.000 0.000 0.156 173 G HA3 0.366 4.326 3.960 0.000 0.000 0.156 173 G C -1.258 173.445 174.900 -0.329 0.000 1.375 173 G CA -0.417 44.654 45.100 -0.049 0.000 1.039 173 G HN 0.126 nan 8.290 nan 0.000 0.586 174 Y N -0.247 120.049 120.300 -0.006 0.000 2.326 174 Y HA 0.475 5.025 4.550 0.000 0.000 0.329 174 Y C 0.012 175.913 175.900 0.002 0.000 0.973 174 Y CA -0.608 57.425 58.100 -0.111 0.000 1.162 174 Y CB 2.376 40.756 38.460 -0.133 0.000 1.147 174 Y HN 0.240 nan 8.280 nan 0.000 0.456 175 T N 5.580 120.144 114.554 0.016 0.000 2.795 175 T HA 0.640 4.990 4.350 0.000 0.000 0.282 175 T C -0.933 173.856 174.700 0.150 0.000 0.980 175 T CA -0.505 61.615 62.100 0.034 0.000 1.012 175 T CB 0.140 69.036 68.868 0.047 0.000 0.936 175 T HN 0.442 nan 8.240 nan 0.000 0.457 176 F N 0.165 120.184 119.950 0.116 0.000 2.631 176 F HA 0.893 5.421 4.527 0.000 0.000 0.308 176 F C -0.957 174.931 175.800 0.148 0.000 1.097 176 F CA -1.732 56.376 58.000 0.180 0.000 0.952 176 F CB 1.112 40.232 39.000 0.201 0.000 1.307 176 F HN 0.634 nan 8.300 nan 0.000 0.450 177 A N 1.924 124.966 122.820 0.371 0.000 2.398 177 A HA 0.827 5.147 4.320 0.000 0.000 0.301 177 A C -1.939 175.845 177.584 0.334 0.000 1.041 177 A CA -0.849 51.327 52.037 0.231 0.000 0.711 177 A CB 1.651 20.547 19.000 -0.174 0.000 1.240 177 A HN 0.917 nan 8.150 nan 0.000 0.420 178 V N 2.355 122.447 119.914 0.296 0.000 2.638 178 V HA 0.319 4.439 4.120 0.000 0.000 0.306 178 V C -0.184 175.995 176.094 0.141 0.000 1.052 178 V CA -0.934 61.487 62.300 0.201 0.000 0.885 178 V CB 1.990 33.883 31.823 0.117 0.000 0.999 178 V HN 0.952 nan 8.190 nan 0.000 0.424 179 N N 3.777 122.553 118.700 0.125 0.000 2.483 179 N HA 0.373 5.113 4.740 0.000 0.000 0.264 179 N C -0.866 174.652 175.510 0.012 0.000 1.197 179 N CA 0.322 53.421 53.050 0.081 0.000 0.927 179 N CB 0.386 38.921 38.487 0.079 0.000 1.065 179 N HN 0.631 nan 8.380 nan 0.000 0.461 180 L N 3.669 124.888 121.223 -0.008 0.000 2.313 180 L HA 0.590 4.930 4.340 0.000 0.000 0.268 180 L C -1.957 174.930 176.870 0.028 0.000 1.010 180 L CA -2.352 52.444 54.840 -0.072 0.000 0.814 180 L CB 1.604 43.581 42.059 -0.136 0.000 1.304 180 L HN 0.474 nan 8.230 nan 0.000 0.441 181 P HA 0.056 nan 4.420 nan 0.000 0.263 181 P C -1.413 175.955 177.300 0.114 0.000 1.195 181 P CA 0.018 63.182 63.100 0.107 0.000 0.762 181 P CB 0.168 31.960 31.700 0.154 0.000 0.799 182 K N 1.391 121.844 120.400 0.089 0.000 2.316 182 K HA 0.602 4.922 4.320 0.000 0.000 0.234 182 K C -0.686 175.957 176.600 0.071 0.000 1.054 182 K CA -1.094 55.243 56.287 0.084 0.000 0.879 182 K CB 0.941 33.483 32.500 0.070 0.000 1.252 182 K HN 0.091 nan 8.250 nan 0.000 0.471 183 D N 0.570 121.008 120.400 0.064 0.000 2.255 183 D HA 0.027 4.668 4.640 0.000 0.000 0.249 183 D C 0.811 177.137 176.300 0.043 0.000 1.078 183 D CA -0.246 53.785 54.000 0.052 0.000 0.896 183 D CB 1.740 42.569 40.800 0.049 0.000 1.194 183 D HN 0.540 nan 8.370 nan 0.000 0.429 184 E N 1.361 121.583 120.200 0.037 0.000 2.169 184 E HA -0.228 4.122 4.350 0.000 0.000 0.202 184 E C 1.458 178.076 176.600 0.029 0.000 1.016 184 E CA 1.324 57.742 56.400 0.031 0.000 0.817 184 E CB -0.187 29.529 29.700 0.026 0.000 0.736 184 E HN 0.409 nan 8.360 nan 0.000 0.462 185 N N 0.727 119.445 118.700 0.029 0.000 2.022 185 N HA -0.094 4.646 4.740 0.000 0.000 0.194 185 N C 1.005 176.533 175.510 0.029 0.000 1.057 185 N CA 1.416 54.482 53.050 0.027 0.000 0.849 185 N CB -0.530 37.973 38.487 0.026 0.000 1.044 185 N HN 0.698 nan 8.380 nan 0.000 0.424 186 E N 0.876 121.097 120.200 0.035 0.000 2.425 186 E HA 0.054 4.404 4.350 0.000 0.000 0.258 186 E C -0.558 176.065 176.600 0.038 0.000 1.151 186 E CA -0.313 56.109 56.400 0.038 0.000 0.958 186 E CB 0.178 29.905 29.700 0.046 0.000 0.968 186 E HN 0.193 nan 8.360 nan 0.000 0.451 187 N N 0.338 119.061 118.700 0.037 0.000 2.340 187 N HA 0.008 4.748 4.740 0.000 0.000 0.236 187 N C -0.537 175.001 175.510 0.046 0.000 1.296 187 N CA 0.172 53.244 53.050 0.037 0.000 0.896 187 N CB 0.487 38.995 38.487 0.034 0.000 1.127 187 N HN 0.613 nan 8.380 nan 0.000 0.442 188 S N 0.053 115.780 115.700 0.044 0.000 2.560 188 S HA 0.032 4.502 4.470 0.000 0.000 0.284 188 S C -0.148 174.492 174.600 0.067 0.000 1.327 188 S CA -0.355 57.877 58.200 0.053 0.000 1.055 188 S CB 0.683 63.911 63.200 0.047 0.000 0.868 188 S HN 0.517 nan 8.310 nan 0.000 0.506 189 K N 1.575 122.021 120.400 0.077 0.000 2.323 189 K HA 0.444 4.764 4.320 0.000 0.000 0.259 189 K C -1.250 175.406 176.600 0.093 0.000 0.947 189 K CA -0.396 55.946 56.287 0.092 0.000 0.819 189 K CB 1.324 33.887 32.500 0.104 0.000 1.109 189 K HN 0.786 nan 8.250 nan 0.000 0.429 190 T N 3.871 118.492 114.554 0.112 0.000 2.861 190 T HA 0.310 4.660 4.350 0.000 0.000 0.287 190 T C -1.283 173.505 174.700 0.147 0.000 1.003 190 T CA -0.691 61.487 62.100 0.130 0.000 0.977 190 T CB 1.215 70.178 68.868 0.157 0.000 0.996 190 T HN 0.406 nan 8.240 nan 0.000 0.448 191 L N 4.170 125.491 121.223 0.163 0.000 2.272 191 L HA 0.762 5.102 4.340 0.000 0.000 0.289 191 L C -0.949 176.113 176.870 0.320 0.000 1.032 191 L CA -0.604 54.382 54.840 0.244 0.000 0.810 191 L CB 0.460 42.637 42.059 0.195 0.000 1.205 191 L HN 0.726 nan 8.230 nan 0.000 0.422 192 I N 4.103 124.811 120.570 0.230 0.000 2.722 192 I HA 0.883 5.053 4.170 0.000 0.000 0.295 192 I C -0.276 175.638 176.117 -0.338 0.000 1.161 192 I CA -0.018 61.243 61.300 -0.064 0.000 1.032 192 I CB 2.054 40.020 38.000 -0.056 0.000 1.244 192 I HN 0.720 nan 8.210 nan 0.000 0.421 193 G N 4.263 112.461 108.800 -1.003 0.000 2.321 193 G HA2 0.609 4.569 3.960 0.000 0.000 0.296 193 G HA3 0.609 4.569 3.960 0.000 0.000 0.296 193 G C -2.138 172.231 174.900 -0.885 0.000 1.287 193 G CA -0.034 44.578 45.100 -0.814 0.000 0.846 193 G HN 0.953 nan 8.290 nan 0.000 0.508 194 A N -0.107 122.557 122.820 -0.261 0.000 2.768 194 A HA 0.767 5.087 4.320 0.000 0.000 0.299 194 A C -0.204 177.495 177.584 0.191 0.000 1.171 194 A CA 0.510 52.538 52.037 -0.015 0.000 0.759 194 A CB 0.909 19.899 19.000 -0.016 0.000 1.267 194 A HN 1.818 nan 8.150 nan 0.000 0.421 195 S N 3.078 119.003 115.700 0.376 0.000 2.508 195 S HA 0.650 5.121 4.470 0.000 0.000 0.284 195 S C -1.581 173.209 174.600 0.315 0.000 1.192 195 S CA -1.450 56.956 58.200 0.343 0.000 1.070 195 S CB 1.083 64.494 63.200 0.352 0.000 1.004 195 S HN 0.484 nan 8.310 nan 0.000 0.493 196 P HA 0.136 nan 4.420 nan 0.000 0.251 196 P C -0.197 177.239 177.300 0.226 0.000 1.223 196 P CA 0.301 63.544 63.100 0.237 0.000 0.796 196 P CB 0.130 31.945 31.700 0.193 0.000 1.068 197 E N 0.636 120.920 120.200 0.140 0.000 2.114 197 E HA 0.324 4.674 4.350 0.000 0.000 0.266 197 E C -1.069 175.486 176.600 -0.076 0.000 0.896 197 E CA -1.090 55.334 56.400 0.041 0.000 0.750 197 E CB 0.745 30.437 29.700 -0.013 0.000 1.121 197 E HN -0.133 nan 8.360 nan 0.000 0.413 198 L N 5.746 126.921 121.223 -0.081 0.000 2.313 198 L HA 0.120 4.460 4.340 0.000 0.000 0.282 198 L C 0.317 177.144 176.870 -0.073 0.000 1.092 198 L CA 0.149 54.878 54.840 -0.185 0.000 0.831 198 L CB 0.966 43.002 42.059 -0.039 0.000 1.159 198 L HN 0.765 nan 8.230 nan 0.000 0.442 199 L N 5.855 127.036 121.223 -0.070 0.000 2.049 199 L HA 0.287 4.627 4.340 0.000 0.000 0.203 199 L C 0.244 177.104 176.870 -0.017 0.000 1.074 199 L CA 1.353 56.179 54.840 -0.024 0.000 0.749 199 L CB 0.299 42.357 42.059 -0.002 0.000 0.907 199 L HN 0.465 nan 8.230 nan 0.000 0.439 200 V N -0.982 118.930 119.914 -0.003 0.000 3.098 200 V HA 0.586 4.707 4.120 0.000 0.000 0.294 200 V C -1.417 174.663 176.094 -0.024 0.000 1.351 200 V CA 0.042 62.334 62.300 -0.014 0.000 0.999 200 V CB 2.219 34.014 31.823 -0.047 0.000 1.104 200 V HN 0.461 nan 8.190 nan 0.000 0.438 201 S N 5.737 121.404 115.700 -0.055 0.000 2.570 201 S HA 0.842 5.313 4.470 0.000 0.000 0.286 201 S C -0.925 173.555 174.600 -0.200 0.000 1.099 201 S CA -0.863 57.242 58.200 -0.158 0.000 0.913 201 S CB 2.227 65.394 63.200 -0.054 0.000 1.085 201 S HN 1.085 nan 8.310 nan 0.000 0.480 202 R N 1.128 121.394 120.500 -0.390 0.000 2.532 202 R HA 0.488 4.828 4.340 0.000 0.000 0.297 202 R C -1.906 174.095 176.300 -0.499 0.000 0.984 202 R CA -0.447 55.467 56.100 -0.311 0.000 0.884 202 R CB 1.050 31.217 30.300 -0.222 0.000 1.182 202 R HN 0.984 nan 8.270 nan 0.000 0.442 203 H N 2.429 121.503 119.070 0.008 0.000 3.013 203 H HA 0.414 4.971 4.556 0.000 0.000 0.326 203 H C 0.186 175.536 175.328 0.037 0.000 0.973 203 H CA 0.265 56.336 56.048 0.038 0.000 1.369 203 H CB 2.042 31.843 29.762 0.064 0.000 1.598 203 H HN 1.090 nan 8.280 nan 0.000 0.518 207 V N 5.292 125.230 119.914 0.040 0.000 2.513 207 V HA 0.674 4.794 4.120 0.000 0.000 0.299 207 V C -0.238 175.881 176.094 0.042 0.000 1.035 207 V CA -0.420 61.887 62.300 0.011 0.000 0.889 207 V CB 1.695 33.513 31.823 -0.008 0.000 0.988 207 V HN 0.699 nan 8.190 nan 0.000 0.440 208 I N 2.961 123.553 120.570 0.037 0.000 2.619 208 I HA 0.561 4.731 4.170 0.000 0.000 0.292 208 I C -0.411 175.729 176.117 0.038 0.000 1.100 208 I CA -0.262 61.075 61.300 0.062 0.000 1.043 208 I CB 2.347 40.407 38.000 0.099 0.000 1.239 208 I HN 0.626 nan 8.210 nan 0.000 0.420 209 S N 4.530 120.252 115.700 0.037 0.000 2.548 209 S HA 0.457 4.927 4.470 0.000 0.000 0.286 209 S C -0.954 173.669 174.600 0.039 0.000 1.098 209 S CA -0.651 57.562 58.200 0.022 0.000 0.930 209 S CB 1.696 64.894 63.200 -0.003 0.000 1.070 209 S HN 0.762 nan 8.310 nan 0.000 0.480 210 N N 3.404 122.127 118.700 0.038 0.000 2.791 210 N HA 0.305 5.045 4.740 0.000 0.000 0.265 210 N C -2.833 172.704 175.510 0.046 0.000 1.580 210 N CA -1.718 51.369 53.050 0.061 0.000 0.809 210 N CB 1.018 39.561 38.487 0.093 0.000 1.178 210 N HN 0.385 nan 8.380 nan 0.000 0.499 211 P HA 0.058 nan 4.420 nan 0.000 0.267 211 P C -0.617 176.726 177.300 0.072 0.000 1.205 211 P CA 0.189 63.285 63.100 -0.006 0.000 0.765 211 P CB 1.272 32.918 31.700 -0.089 0.000 0.828 212 L N 2.878 124.128 121.223 0.046 0.000 2.322 212 L HA 0.744 5.085 4.340 0.000 0.000 0.281 212 L C 0.160 177.083 176.870 0.088 0.000 1.014 212 L CA -0.685 54.206 54.840 0.086 0.000 0.815 212 L CB 1.826 43.829 42.059 -0.092 0.000 1.247 212 L HN 0.431 nan 8.230 nan 0.000 0.421 213 A N 2.552 125.524 122.820 0.254 0.000 2.491 213 A HA 0.777 5.097 4.320 0.000 0.000 0.293 213 A C -0.289 177.460 177.584 0.276 0.000 1.047 213 A CA 0.038 52.199 52.037 0.205 0.000 0.735 213 A CB 1.634 20.703 19.000 0.114 0.000 1.281 213 A HN 0.977 nan 8.150 nan 0.000 0.398 214 G N 0.770 109.694 108.800 0.207 0.000 3.233 214 G HA2 0.474 4.434 3.960 0.000 0.000 0.686 214 G HA3 0.474 4.434 3.960 0.000 0.000 0.686 214 G C -0.670 174.378 174.900 0.246 0.000 1.153 214 G CA -0.160 45.051 45.100 0.185 0.000 0.853 214 G HN 1.564 nan 8.290 nan 0.000 0.582 215 S N 1.853 117.671 115.700 0.196 0.000 2.541 215 S HA 0.923 5.393 4.470 0.000 0.000 0.271 215 S C -0.401 174.265 174.600 0.109 0.000 1.133 215 S CA -1.040 57.264 58.200 0.173 0.000 0.876 215 S CB 2.121 65.436 63.200 0.193 0.000 1.105 215 S HN 0.807 nan 8.310 nan 0.000 0.470 216 R N 1.402 121.967 120.500 0.108 0.000 2.698 216 R HA 0.562 4.902 4.340 0.000 0.000 0.275 216 R C -3.181 173.198 176.300 0.132 0.000 1.001 216 R CA -2.201 53.975 56.100 0.127 0.000 0.896 216 R CB 1.256 31.648 30.300 0.153 0.000 1.218 216 R HN 0.373 nan 8.270 nan 0.000 0.462 217 P HA 0.259 nan 4.420 nan 0.000 0.278 217 P C -0.315 177.040 177.300 0.092 0.000 1.238 217 P CA -0.577 62.551 63.100 0.048 0.000 0.794 217 P CB 0.636 32.357 31.700 0.035 0.000 0.955 218 R N 0.826 121.294 120.500 -0.053 0.000 2.784 218 R HA 0.304 4.644 4.340 0.000 0.000 0.266 218 R C 0.629 176.938 176.300 0.015 0.000 1.044 218 R CA 0.194 56.233 56.100 -0.101 0.000 1.151 218 R CB -0.309 29.832 30.300 -0.266 0.000 1.037 218 R HN 0.514 nan 8.270 nan 0.000 0.478 219 S N -0.481 115.251 115.700 0.054 0.000 2.542 219 S HA 0.212 4.682 4.470 0.000 0.000 0.293 219 S C 0.036 174.647 174.600 0.018 0.000 1.089 219 S CA -0.796 57.430 58.200 0.043 0.000 0.961 219 S CB 1.265 64.507 63.200 0.071 0.000 1.062 219 S HN 0.420 nan 8.310 nan 0.000 0.483 220 D N 1.433 121.836 120.400 0.005 0.000 2.347 220 D HA 0.012 4.652 4.640 0.000 0.000 0.215 220 D C 0.045 176.352 176.300 0.011 0.000 0.976 220 D CA 0.655 54.654 54.000 -0.002 0.000 0.884 220 D CB 0.010 40.806 40.800 -0.007 0.000 0.915 220 D HN 0.611 nan 8.370 nan 0.000 0.526 221 D N 1.234 121.647 120.400 0.022 0.000 2.325 221 D HA 0.021 4.661 4.640 0.000 0.000 0.251 221 D C -1.529 174.794 176.300 0.038 0.000 1.196 221 D CA -1.826 52.189 54.000 0.025 0.000 0.866 221 D CB 2.049 42.863 40.800 0.024 0.000 1.101 221 D HN -0.023 nan 8.370 nan 0.000 0.476 222 P HA -0.106 nan 4.420 nan 0.000 0.221 222 P C 1.556 178.885 177.300 0.048 0.000 1.150 222 P CA 0.266 63.394 63.100 0.046 0.000 0.800 222 P CB 0.574 32.293 31.700 0.033 0.000 0.787 223 V N 0.949 120.883 119.914 0.033 0.000 2.323 223 V HA -0.187 3.933 4.120 0.000 0.000 0.244 223 V C 2.817 178.927 176.094 0.027 0.000 1.041 223 V CA 2.204 64.518 62.300 0.024 0.000 1.025 223 V CB -1.275 30.557 31.823 0.015 0.000 0.656 223 V HN 0.137 nan 8.190 nan 0.000 0.451 224 E N 0.776 120.997 120.200 0.034 0.000 2.110 224 E HA -0.254 4.096 4.350 0.000 0.000 0.193 224 E C 1.793 178.437 176.600 0.072 0.000 0.988 224 E CA 1.764 58.188 56.400 0.040 0.000 0.804 224 E CB -0.471 29.253 29.700 0.041 0.000 0.745 224 E HN 0.620 nan 8.360 nan 0.000 0.458 225 D N -0.574 119.897 120.400 0.118 0.000 2.104 225 D HA -0.147 4.493 4.640 0.000 0.000 0.194 225 D C 1.889 178.318 176.300 0.215 0.000 0.994 225 D CA 1.637 55.791 54.000 0.256 0.000 0.830 225 D CB 0.029 40.972 40.800 0.239 0.000 0.959 225 D HN -0.003 nan 8.370 nan 0.000 0.452 226 K N -0.262 120.188 120.400 0.084 0.000 2.057 226 K HA -0.030 4.290 4.320 0.000 0.000 0.206 226 K C 2.325 178.837 176.600 -0.146 0.000 1.050 226 K CA 1.068 57.316 56.287 -0.065 0.000 0.935 226 K CB -0.421 32.063 32.500 -0.025 0.000 0.715 226 K HN 0.284 nan 8.250 nan 0.000 0.439 227 R N 0.564 121.020 120.500 -0.073 0.000 2.105 227 R HA -0.123 4.217 4.340 0.000 0.000 0.239 227 R C 2.326 178.547 176.300 -0.132 0.000 1.135 227 R CA 1.828 57.879 56.100 -0.082 0.000 0.967 227 R CB -0.133 30.145 30.300 -0.036 0.000 0.861 227 R HN 0.249 nan 8.270 nan 0.000 0.442 228 R N -0.424 119.992 120.500 -0.140 0.000 2.090 228 R HA 0.011 4.351 4.340 0.000 0.000 0.228 228 R C 2.357 178.414 176.300 -0.404 0.000 1.110 228 R CA 1.032 57.035 56.100 -0.161 0.000 0.973 228 R CB -0.229 30.071 30.300 -0.001 0.000 0.869 228 R HN 0.225 nan 8.270 nan 0.000 0.440 229 A N 1.545 123.869 122.820 -0.826 0.000 1.908 229 A HA -0.215 4.105 4.320 0.000 0.000 0.218 229 A C 1.876 179.162 177.584 -0.495 0.000 1.181 229 A CA 1.504 52.899 52.037 -1.070 0.000 0.627 229 A CB -0.325 17.695 19.000 -1.633 0.000 0.818 229 A HN 0.308 nan 8.150 nan 0.000 0.445 230 E N -0.826 119.167 120.200 -0.345 0.000 2.150 230 E HA -0.178 4.172 4.350 0.000 0.000 0.193 230 E C 2.065 178.575 176.600 -0.150 0.000 0.985 230 E CA 1.036 57.313 56.400 -0.205 0.000 0.814 230 E CB -0.092 29.520 29.700 -0.145 0.000 0.752 230 E HN 0.832 nan 8.360 nan 0.000 0.466 231 E N 0.802 120.916 120.200 -0.144 0.000 2.072 231 E HA -0.202 4.148 4.350 0.000 0.000 0.191 231 E C 2.125 178.677 176.600 -0.079 0.000 0.985 231 E CA 0.573 56.919 56.400 -0.090 0.000 0.801 231 E CB 0.056 29.716 29.700 -0.067 0.000 0.750 231 E HN 0.129 nan 8.360 nan 0.000 0.452 232 L N 0.982 122.139 121.223 -0.109 0.000 2.017 232 L HA -0.117 4.223 4.340 0.000 0.000 0.208 232 L C 2.293 179.124 176.870 -0.065 0.000 1.073 232 L CA 1.382 56.181 54.840 -0.068 0.000 0.745 232 L CB -0.662 41.353 42.059 -0.072 0.000 0.894 232 L HN 0.279 nan 8.230 nan 0.000 0.432 233 L N -0.627 120.535 121.223 -0.102 0.000 2.450 233 L HA -0.076 4.264 4.340 0.000 0.000 0.224 233 L C 2.005 178.839 176.870 -0.059 0.000 1.149 233 L CA 1.667 56.455 54.840 -0.088 0.000 0.816 233 L CB -0.529 41.463 42.059 -0.110 0.000 0.932 233 L HN 0.612 nan 8.230 nan 0.000 0.449 234 S N -3.542 112.127 115.700 -0.052 0.000 2.629 234 S HA 0.188 4.658 4.470 0.000 0.000 0.236 234 S C 0.769 175.359 174.600 -0.016 0.000 1.010 234 S CA -0.019 58.162 58.200 -0.032 0.000 0.981 234 S CB -0.306 62.872 63.200 -0.036 0.000 0.919 234 S HN 0.279 nan 8.310 nan 0.000 0.514 235 S N 2.922 118.616 115.700 -0.010 0.000 2.455 235 S HA 0.362 4.832 4.470 0.000 0.000 0.278 235 S C -1.632 172.983 174.600 0.026 0.000 1.216 235 S CA -1.204 57.000 58.200 0.007 0.000 1.055 235 S CB 0.824 64.031 63.200 0.013 0.000 0.939 235 S HN 0.102 nan 8.310 nan 0.000 0.494 236 P HA -0.104 nan 4.420 nan 0.000 0.215 236 P C 1.394 178.741 177.300 0.078 0.000 1.157 236 P CA 0.947 64.071 63.100 0.040 0.000 0.863 236 P CB 0.113 31.823 31.700 0.017 0.000 0.787 237 K N -0.075 120.367 120.400 0.070 0.000 2.063 237 K HA -0.197 4.123 4.320 0.000 0.000 0.208 237 K C 1.548 178.213 176.600 0.109 0.000 1.048 237 K CA 1.866 58.211 56.287 0.097 0.000 0.928 237 K CB -0.522 32.019 32.500 0.068 0.000 0.713 237 K HN 0.027 nan 8.250 nan 0.000 0.442 238 D N 0.693 121.143 120.400 0.084 0.000 2.149 238 D HA -0.102 4.538 4.640 0.000 0.000 0.201 238 D C 2.098 178.463 176.300 0.109 0.000 0.972 238 D CA 0.871 54.924 54.000 0.088 0.000 0.835 238 D CB 0.014 40.853 40.800 0.066 0.000 0.966 238 D HN 0.255 nan 8.370 nan 0.000 0.476 239 L N 0.307 121.589 121.223 0.097 0.000 2.093 239 L HA -0.191 4.149 4.340 0.000 0.000 0.208 239 L C 2.500 179.468 176.870 0.164 0.000 1.085 239 L CA 0.995 55.901 54.840 0.110 0.000 0.755 239 L CB -0.357 41.746 42.059 0.073 0.000 0.904 239 L HN 0.103 nan 8.230 nan 0.000 0.435 240 H N -0.014 119.092 119.070 0.059 0.000 2.333 240 H HA -0.179 4.377 4.556 0.000 0.000 0.302 240 H C 2.103 177.461 175.328 0.050 0.000 1.075 240 H CA 1.838 57.914 56.048 0.046 0.000 1.348 240 H CB 0.152 29.931 29.762 0.028 0.000 1.393 240 H HN 0.158 nan 8.280 nan 0.000 0.509 241 E N -0.376 119.790 120.200 -0.056 0.000 2.110 241 E HA -0.209 4.141 4.350 0.000 0.000 0.193 241 E C 2.174 178.734 176.600 -0.067 0.000 0.988 241 E CA 1.636 57.963 56.400 -0.122 0.000 0.804 241 E CB -0.534 29.162 29.700 -0.007 0.000 0.745 241 E HN 0.704 nan 8.360 nan 0.000 0.458 242 H N -0.479 118.563 119.070 -0.047 0.000 2.319 242 H HA -0.023 4.533 4.556 0.000 0.000 0.299 242 H C 1.789 177.087 175.328 -0.050 0.000 1.092 242 H CA 2.313 58.344 56.048 -0.028 0.000 1.302 242 H CB -0.397 29.368 29.762 0.005 0.000 1.373 242 H HN 0.229 nan 8.280 nan 0.000 0.497 243 A N -0.176 122.645 122.820 0.002 0.000 1.978 243 A HA -0.134 4.186 4.320 0.000 0.000 0.220 243 A C 2.627 180.136 177.584 -0.124 0.000 1.170 243 A CA 1.725 53.743 52.037 -0.032 0.000 0.636 243 A CB -0.822 18.202 19.000 0.039 0.000 0.810 243 A HN 0.351 nan 8.150 nan 0.000 0.448 244 V N -0.673 119.126 119.914 -0.192 0.000 2.379 244 V HA -0.178 3.942 4.120 0.000 0.000 0.245 244 V C 2.548 178.544 176.094 -0.163 0.000 1.044 244 V CA 1.732 63.919 62.300 -0.188 0.000 1.036 244 V CB -0.589 31.078 31.823 -0.260 0.000 0.664 244 V HN 0.370 nan 8.190 nan 0.000 0.453 245 V N -0.099 119.697 119.914 -0.197 0.000 2.295 245 V HA -0.227 3.893 4.120 0.000 0.000 0.246 245 V C 2.454 178.429 176.094 -0.199 0.000 1.049 245 V CA 1.944 64.128 62.300 -0.194 0.000 1.024 245 V CB -0.493 31.195 31.823 -0.226 0.000 0.648 245 V HN 0.407 nan 8.190 nan 0.000 0.447 246 V N -0.230 119.528 119.914 -0.259 0.000 2.332 246 V HA -0.306 3.814 4.120 0.000 0.000 0.248 246 V C 2.411 178.439 176.094 -0.110 0.000 1.055 246 V CA 2.205 64.394 62.300 -0.184 0.000 1.038 246 V CB -0.681 31.039 31.823 -0.172 0.000 0.651 246 V HN 0.592 nan 8.190 nan 0.000 0.450 247 E N 0.004 120.146 120.200 -0.098 0.000 2.110 247 E HA -0.191 4.159 4.350 0.000 0.000 0.193 247 E C 2.288 178.851 176.600 -0.061 0.000 0.988 247 E CA 1.351 57.712 56.400 -0.067 0.000 0.804 247 E CB -0.336 29.331 29.700 -0.056 0.000 0.745 247 E HN 0.617 nan 8.360 nan 0.000 0.458 248 A N 0.349 123.125 122.820 -0.073 0.000 1.930 248 A HA -0.108 4.212 4.320 0.000 0.000 0.217 248 A C 2.395 179.947 177.584 -0.054 0.000 1.175 248 A CA 0.913 52.912 52.037 -0.063 0.000 0.627 248 A CB -0.371 18.586 19.000 -0.072 0.000 0.815 248 A HN 0.128 nan 8.150 nan 0.000 0.443 249 V N -0.178 119.698 119.914 -0.063 0.000 2.358 249 V HA -0.206 3.914 4.120 0.000 0.000 0.246 249 V C 3.049 179.126 176.094 -0.029 0.000 1.047 249 V CA 1.810 64.081 62.300 -0.048 0.000 1.035 249 V CB -1.114 30.674 31.823 -0.058 0.000 0.658 249 V HN 0.595 nan 8.190 nan 0.000 0.452 250 A N 0.055 122.854 122.820 -0.034 0.000 1.902 250 A HA -0.125 4.195 4.320 0.000 0.000 0.217 250 A C 2.399 179.979 177.584 -0.008 0.000 1.181 250 A CA 2.076 54.102 52.037 -0.020 0.000 0.623 250 A CB -0.743 18.239 19.000 -0.030 0.000 0.818 250 A HN 0.568 nan 8.150 nan 0.000 0.443 251 A N -0.366 122.444 122.820 -0.017 0.000 1.969 251 A HA 0.221 4.541 4.320 0.000 0.000 0.218 251 A C 2.423 180.008 177.584 0.001 0.000 1.169 251 A CA 1.863 53.892 52.037 -0.014 0.000 0.635 251 A CB -0.787 18.198 19.000 -0.024 0.000 0.810 251 A HN 0.996 nan 8.150 nan 0.000 0.445 252 A N -0.522 122.303 122.820 0.010 0.000 1.929 252 A HA 0.125 4.445 4.320 0.000 0.000 0.216 252 A C 2.037 179.696 177.584 0.125 0.000 1.176 252 A CA 1.220 53.285 52.037 0.047 0.000 0.628 252 A CB -0.406 18.607 19.000 0.021 0.000 0.816 252 A HN 0.445 nan 8.150 nan 0.000 0.444 253 L N -1.511 119.767 121.223 0.092 0.000 2.341 253 L HA 0.039 4.379 4.340 0.000 0.000 0.214 253 L C 2.573 179.535 176.870 0.153 0.000 1.115 253 L CA 0.519 55.448 54.840 0.148 0.000 0.820 253 L CB -0.309 41.787 42.059 0.061 0.000 0.944 253 L HN 0.375 nan 8.230 nan 0.000 0.452 254 R N 0.665 121.205 120.500 0.066 0.000 2.091 254 R HA -0.164 4.176 4.340 0.000 0.000 0.238 254 R C -0.454 175.835 176.300 -0.018 0.000 1.136 254 R CA 1.694 57.808 56.100 0.024 0.000 0.959 254 R CB -0.944 29.356 30.300 -0.000 0.000 0.856 254 R HN 0.241 nan 8.270 nan 0.000 0.437 255 P HA -0.125 nan 4.420 nan 0.000 0.220 255 P C 0.163 177.288 177.300 -0.292 0.000 1.148 255 P CA 1.278 64.237 63.100 -0.234 0.000 0.803 255 P CB -0.003 31.461 31.700 -0.394 0.000 0.782 256 Y N -2.202 118.058 120.300 -0.067 0.000 2.511 256 Y HA 0.098 4.648 4.550 0.000 0.000 0.279 256 Y C 1.116 176.948 175.900 -0.114 0.000 1.157 256 Y CA -0.258 57.791 58.100 -0.084 0.000 1.300 256 Y CB -0.354 38.063 38.460 -0.072 0.000 1.052 256 Y HN -0.072 nan 8.280 nan 0.000 0.529 257 C N -0.759 118.550 119.300 0.016 0.000 2.614 257 C HA 0.288 4.748 4.460 0.000 0.000 0.320 257 C C 1.576 176.520 174.990 -0.076 0.000 1.200 257 C CA -0.868 58.132 59.018 -0.030 0.000 1.700 257 C CB 1.230 28.998 27.740 0.047 0.000 2.275 257 C HN 0.417 nan 8.230 nan 0.000 0.492 258 H N 0.226 119.321 119.070 0.042 0.000 2.326 258 H HA 0.015 4.571 4.556 0.000 0.000 0.301 258 H C 0.967 176.315 175.328 0.033 0.000 1.081 258 H CA 1.704 57.771 56.048 0.031 0.000 1.334 258 H CB 0.293 30.073 29.762 0.030 0.000 1.385 258 H HN 0.626 nan 8.280 nan 0.000 0.504 259 T N -0.107 114.554 114.554 0.179 0.000 2.889 259 T HA 0.480 4.830 4.350 0.000 0.000 0.315 259 T C -1.558 173.213 174.700 0.118 0.000 1.291 259 T CA -0.667 61.508 62.100 0.125 0.000 1.028 259 T CB 1.162 70.100 68.868 0.117 0.000 1.235 259 T HN 0.000 nan 8.240 nan 0.000 0.491 260 L N 3.495 124.781 121.223 0.105 0.000 2.362 260 L HA 0.541 4.881 4.340 0.000 0.000 0.275 260 L C -1.339 175.618 176.870 0.145 0.000 0.998 260 L CA -1.063 53.840 54.840 0.105 0.000 0.820 260 L CB 1.800 43.892 42.059 0.056 0.000 1.270 260 L HN 0.758 nan 8.230 nan 0.000 0.415 261 Y N 4.222 124.545 120.300 0.039 0.000 2.353 261 Y HA 0.466 5.016 4.550 0.000 0.000 0.340 261 Y C -0.784 175.137 175.900 0.036 0.000 0.972 261 Y CA -0.659 57.463 58.100 0.037 0.000 1.157 261 Y CB 1.180 39.663 38.460 0.038 0.000 1.157 261 Y HN 0.180 nan 8.280 nan 0.000 0.495 262 V N 9.337 128.916 119.914 -0.559 0.000 2.304 262 V HA 0.328 4.448 4.120 0.000 0.000 0.278 262 V C -2.132 173.595 176.094 -0.612 0.000 1.018 262 V CA -1.998 60.017 62.300 -0.474 0.000 0.814 262 V CB 0.809 32.509 31.823 -0.204 0.000 1.021 262 V HN 0.756 nan 8.190 nan 0.000 0.440 263 P HA -0.004 nan 4.420 nan 0.000 0.261 263 P C 0.995 178.216 177.300 -0.132 0.000 1.173 263 P CA 0.292 63.199 63.100 -0.322 0.000 0.760 263 P CB 0.796 32.435 31.700 -0.102 0.000 0.783 264 E N 3.140 123.303 120.200 -0.062 0.000 2.110 264 E HA -0.161 4.189 4.350 0.000 0.000 0.193 264 E C -0.187 176.418 176.600 0.008 0.000 0.988 264 E CA 1.102 57.493 56.400 -0.016 0.000 0.804 264 E CB 0.191 29.898 29.700 0.011 0.000 0.745 264 E HN 0.426 nan 8.360 nan 0.000 0.458 265 K N 1.750 122.158 120.400 0.014 0.000 2.270 265 K HA 0.366 4.686 4.320 0.000 0.000 0.255 265 K C -2.439 174.168 176.600 0.011 0.000 0.936 265 K CA -2.146 54.151 56.287 0.016 0.000 0.809 265 K CB 1.836 34.343 32.500 0.013 0.000 1.131 265 K HN 0.044 nan 8.250 nan 0.000 0.427 266 P HA 0.144 nan 4.420 nan 0.000 0.276 266 P C -0.699 176.566 177.300 -0.059 0.000 1.252 266 P CA -0.447 62.610 63.100 -0.071 0.000 0.802 266 P CB 1.053 32.566 31.700 -0.311 0.000 1.035 267 S N -0.434 115.241 115.700 -0.041 0.000 2.704 267 S HA 0.469 4.939 4.470 0.000 0.000 0.305 267 S C -0.200 174.395 174.600 -0.008 0.000 1.107 267 S CA -0.735 57.458 58.200 -0.012 0.000 0.993 267 S CB 1.267 64.481 63.200 0.024 0.000 1.110 267 S HN 0.227 nan 8.310 nan 0.000 0.534 268 V N 2.770 122.700 119.914 0.027 0.000 2.427 268 V HA 0.538 4.658 4.120 0.000 0.000 0.286 268 V C 0.104 176.313 176.094 0.191 0.000 1.034 268 V CA -0.506 61.855 62.300 0.101 0.000 0.893 268 V CB 0.596 32.439 31.823 0.034 0.000 0.982 268 V HN 0.781 nan 8.190 nan 0.000 0.452 269 I N 2.133 122.848 120.570 0.241 0.000 3.170 269 I HA 0.913 5.083 4.170 0.000 0.000 0.312 269 I C -0.773 175.490 176.117 0.243 0.000 1.085 269 I CA -0.938 60.444 61.300 0.136 0.000 0.999 269 I CB 2.622 40.641 38.000 0.032 0.000 1.233 269 I HN 0.838 nan 8.210 nan 0.000 0.467 270 H N 0.026 119.132 119.070 0.061 0.000 2.895 270 H HA 0.778 5.334 4.556 0.000 0.000 0.373 270 H C -0.942 174.363 175.328 -0.038 0.000 1.174 270 H CA -0.674 55.289 56.048 -0.142 0.000 1.144 270 H CB 1.312 30.698 29.762 -0.626 0.000 1.793 270 H HN 0.778 nan 8.280 nan 0.000 0.551 271 S N 0.523 116.273 115.700 0.083 0.000 2.767 271 S HA 0.243 4.713 4.470 0.000 0.000 0.300 271 S C 0.769 175.380 174.600 0.018 0.000 1.123 271 S CA -0.756 57.510 58.200 0.111 0.000 0.992 271 S CB 1.521 64.787 63.200 0.110 0.000 1.138 271 S HN 0.838 nan 8.310 nan 0.000 0.550 272 E N 0.265 120.480 120.200 0.025 0.000 2.160 272 E HA -0.072 4.278 4.350 0.000 0.000 0.195 272 E C 1.081 177.619 176.600 -0.105 0.000 0.991 272 E CA 1.249 57.622 56.400 -0.045 0.000 0.810 272 E CB -0.222 29.480 29.700 0.005 0.000 0.742 272 E HN 0.687 nan 8.360 nan 0.000 0.466 276 H N 1.905 121.174 119.070 0.332 0.000 2.930 276 H HA 0.539 5.095 4.556 0.000 0.000 0.371 276 H C -0.764 174.644 175.328 0.132 0.000 1.169 276 H CA -0.880 55.285 56.048 0.195 0.000 1.157 276 H CB 2.160 32.014 29.762 0.155 0.000 1.789 276 H HN 0.183 nan 8.280 nan 0.000 0.547 277 L N 1.240 122.580 121.223 0.195 0.000 2.371 277 L HA 0.371 4.711 4.340 0.000 0.000 0.272 277 L C 0.486 177.352 176.870 -0.008 0.000 1.124 277 L CA -0.127 54.685 54.840 -0.047 0.000 0.816 277 L CB 1.272 43.159 42.059 -0.286 0.000 1.129 277 L HN 0.425 nan 8.230 nan 0.000 0.448 278 S N 1.139 116.796 115.700 -0.072 0.000 2.543 278 S HA 0.614 5.084 4.470 0.000 0.000 0.271 278 S C -0.959 173.719 174.600 0.130 0.000 1.148 278 S CA -0.472 57.803 58.200 0.126 0.000 0.914 278 S CB 1.810 65.074 63.200 0.107 0.000 1.096 278 S HN 0.565 nan 8.310 nan 0.000 0.471 279 T N 3.704 118.405 114.554 0.245 0.000 2.881 279 T HA 0.416 4.766 4.350 0.000 0.000 0.290 279 T C -1.281 173.486 174.700 0.113 0.000 1.000 279 T CA -0.674 61.534 62.100 0.180 0.000 0.978 279 T CB 1.504 70.517 68.868 0.242 0.000 0.997 279 T HN 0.645 nan 8.240 nan 0.000 0.443 280 E N 2.206 122.462 120.200 0.094 0.000 2.081 280 E HA 0.370 4.720 4.350 0.000 0.000 0.281 280 E C -0.609 176.035 176.600 0.073 0.000 0.986 280 E CA -0.477 55.980 56.400 0.094 0.000 0.796 280 E CB 1.355 31.127 29.700 0.120 0.000 1.085 280 E HN 0.266 nan 8.360 nan 0.000 0.398 281 V N 4.794 124.738 119.914 0.049 0.000 2.406 281 V HA 0.188 4.308 4.120 0.000 0.000 0.272 281 V C 0.109 176.249 176.094 0.078 0.000 1.043 281 V CA -0.255 62.062 62.300 0.028 0.000 0.915 281 V CB 0.724 32.548 31.823 0.001 0.000 0.988 281 V HN 0.531 nan 8.190 nan 0.000 0.466 282 K N 3.343 123.822 120.400 0.131 0.000 2.316 282 K HA 0.829 5.149 4.320 0.000 0.000 0.251 282 K C -0.064 176.621 176.600 0.142 0.000 0.934 282 K CA -0.626 55.751 56.287 0.151 0.000 0.802 282 K CB 2.637 35.253 32.500 0.195 0.000 1.171 282 K HN 0.842 nan 8.250 nan 0.000 0.426 283 G N 0.766 109.630 108.800 0.107 0.000 2.692 283 G HA2 0.301 4.262 3.960 0.000 0.000 0.291 283 G HA3 0.301 4.262 3.960 0.000 0.000 0.291 283 G C -1.751 173.204 174.900 0.092 0.000 1.423 283 G CA -0.462 44.699 45.100 0.101 0.000 0.843 283 G HN 0.530 nan 8.290 nan 0.000 0.486 284 E N 0.625 120.890 120.200 0.108 0.000 2.158 284 E HA 0.456 4.806 4.350 0.000 0.000 0.271 284 E C -0.070 176.583 176.600 0.089 0.000 0.911 284 E CA -0.583 55.889 56.400 0.119 0.000 0.767 284 E CB 1.231 31.031 29.700 0.166 0.000 1.120 284 E HN 0.370 nan 8.360 nan 0.000 0.405 285 L N 4.359 125.608 121.223 0.045 0.000 2.483 285 L HA 0.031 4.371 4.340 0.000 0.000 0.275 285 L C 1.515 178.292 176.870 -0.155 0.000 1.220 285 L CA 0.316 55.142 54.840 -0.024 0.000 0.833 285 L CB 0.497 42.555 42.059 -0.002 0.000 1.102 285 L HN 0.673 nan 8.230 nan 0.000 0.490 286 K N 0.897 121.115 120.400 -0.304 0.000 2.076 286 K HA -0.036 4.284 4.320 0.000 0.000 0.204 286 K C 0.578 177.115 176.600 -0.105 0.000 1.051 286 K CA 0.737 56.766 56.287 -0.429 0.000 0.949 286 K CB 0.013 32.302 32.500 -0.352 0.000 0.726 286 K HN 0.403 nan 8.250 nan 0.000 0.443 287 N N 0.975 119.647 118.700 -0.046 0.000 2.476 287 N HA 0.107 4.847 4.740 0.000 0.000 0.257 287 N C -2.187 173.329 175.510 0.010 0.000 0.970 287 N CA -2.244 50.805 53.050 -0.002 0.000 0.938 287 N CB 1.450 39.943 38.487 0.010 0.000 1.144 287 N HN -0.150 nan 8.380 nan 0.000 0.500 288 P HA -0.047 nan 4.420 nan 0.000 0.229 288 P C 0.036 177.339 177.300 0.005 0.000 1.150 288 P CA 0.816 63.926 63.100 0.016 0.000 0.765 288 P CB 0.466 32.181 31.700 0.025 0.000 0.783 289 N N -0.819 117.883 118.700 0.003 0.000 2.336 289 N HA 0.005 4.745 4.740 0.000 0.000 0.189 289 N C 0.119 175.619 175.510 -0.018 0.000 1.113 289 N CA 0.439 53.485 53.050 -0.006 0.000 0.858 289 N CB -0.417 38.069 38.487 -0.003 0.000 0.970 289 N HN 0.080 nan 8.380 nan 0.000 0.471 290 T N 1.578 116.123 114.554 -0.014 0.000 2.750 290 T HA 0.111 4.461 4.350 0.000 0.000 0.286 290 T C 0.813 175.459 174.700 -0.092 0.000 0.911 290 T CA -0.251 61.827 62.100 -0.038 0.000 1.130 290 T CB 0.167 69.027 68.868 -0.012 0.000 0.873 290 T HN 0.182 nan 8.240 nan 0.000 0.536 291 S N 2.604 118.238 115.700 -0.109 0.000 2.614 291 S HA 0.185 4.656 4.470 0.000 0.000 0.265 291 S C 1.871 176.373 174.600 -0.163 0.000 1.303 291 S CA -0.297 57.832 58.200 -0.119 0.000 1.000 291 S CB 1.028 64.162 63.200 -0.110 0.000 0.935 291 S HN 0.676 nan 8.310 nan 0.000 0.551 292 S N 1.234 116.852 115.700 -0.137 0.000 2.400 292 S HA -0.164 4.306 4.470 0.000 0.000 0.232 292 S C 1.705 176.202 174.600 -0.173 0.000 1.025 292 S CA 1.091 59.222 58.200 -0.116 0.000 0.993 292 S CB -0.881 62.273 63.200 -0.077 0.000 0.808 292 S HN 0.690 nan 8.310 nan 0.000 0.478 293 L N 2.110 123.212 121.223 -0.203 0.000 2.046 293 L HA 0.065 4.405 4.340 0.000 0.000 0.208 293 L C 2.579 179.184 176.870 -0.442 0.000 1.077 293 L CA 2.188 56.712 54.840 -0.526 0.000 0.747 293 L CB -1.083 40.746 42.059 -0.383 0.000 0.896 293 L HN 0.514 nan 8.230 nan 0.000 0.432 294 E N -0.701 119.316 120.200 -0.305 0.000 2.077 294 E HA -0.231 4.119 4.350 0.000 0.000 0.193 294 E C 2.232 178.616 176.600 -0.359 0.000 0.989 294 E CA 1.491 57.728 56.400 -0.271 0.000 0.800 294 E CB -0.180 29.394 29.700 -0.210 0.000 0.746 294 E HN 0.577 nan 8.360 nan 0.000 0.452 295 L N 0.349 121.323 121.223 -0.414 0.000 2.056 295 L HA -0.139 4.201 4.340 0.000 0.000 0.207 295 L C 2.661 179.335 176.870 -0.326 0.000 1.078 295 L CA 1.037 55.604 54.840 -0.454 0.000 0.749 295 L CB -0.443 41.391 42.059 -0.374 0.000 0.901 295 L HN 0.202 nan 8.230 nan 0.000 0.433 296 A N 0.340 122.944 122.820 -0.360 0.000 1.908 296 A HA -0.196 4.124 4.320 0.000 0.000 0.218 296 A C 2.227 179.651 177.584 -0.266 0.000 1.181 296 A CA 1.700 53.524 52.037 -0.356 0.000 0.627 296 A CB -0.708 17.861 19.000 -0.718 0.000 0.818 296 A HN 0.362 nan 8.150 nan 0.000 0.445 297 I N -0.308 120.090 120.570 -0.286 0.000 2.315 297 I HA -0.236 3.934 4.170 0.000 0.000 0.248 297 I C 2.889 178.947 176.117 -0.098 0.000 1.117 297 I CA 0.861 62.065 61.300 -0.159 0.000 1.404 297 I CB -0.242 37.670 38.000 -0.147 0.000 1.071 297 I HN 0.350 nan 8.210 nan 0.000 0.419 298 A N 0.596 123.343 122.820 -0.123 0.000 1.978 298 A HA -0.148 4.172 4.320 0.000 0.000 0.220 298 A C 2.221 179.776 177.584 -0.048 0.000 1.170 298 A CA 1.509 53.515 52.037 -0.051 0.000 0.636 298 A CB -0.633 18.346 19.000 -0.036 0.000 0.810 298 A HN 0.438 nan 8.150 nan 0.000 0.448 299 L N -1.697 119.485 121.223 -0.069 0.000 2.477 299 L HA 0.091 4.431 4.340 0.000 0.000 0.220 299 L C 0.989 177.841 176.870 -0.031 0.000 1.106 299 L CA -0.078 54.733 54.840 -0.048 0.000 0.851 299 L CB -0.136 41.892 42.059 -0.052 0.000 0.994 299 L HN 0.562 nan 8.230 nan 0.000 0.462 300 H N 2.131 121.123 119.070 -0.129 0.000 2.502 300 H HA 0.311 4.867 4.556 0.000 0.000 0.327 300 H C -2.441 172.796 175.328 -0.151 0.000 1.099 300 H CA -2.366 53.602 56.048 -0.132 0.000 1.323 300 H CB 1.109 30.779 29.762 -0.154 0.000 1.450 300 H HN -0.182 nan 8.280 nan 0.000 0.502 301 P HA 0.172 nan 4.420 nan 0.000 0.288 301 P C -0.476 176.715 177.300 -0.183 0.000 1.267 301 P CA -0.652 62.156 63.100 -0.486 0.000 0.815 301 P CB 1.388 32.794 31.700 -0.490 0.000 0.989 302 T N -0.464 114.052 114.554 -0.064 0.000 2.788 302 T HA 0.258 4.608 4.350 0.000 0.000 0.287 302 T C -1.819 172.848 174.700 -0.055 0.000 1.007 302 T CA -1.603 60.460 62.100 -0.062 0.000 1.005 302 T CB -0.222 68.617 68.868 -0.048 0.000 1.012 302 T HN 0.151 nan 8.240 nan 0.000 0.530 303 P HA 0.105 nan 4.420 nan 0.000 0.228 303 P C 1.368 178.644 177.300 -0.039 0.000 1.151 303 P CA 0.725 63.794 63.100 -0.050 0.000 0.770 303 P CB -0.301 31.360 31.700 -0.065 0.000 0.786 304 A N -0.211 122.583 122.820 -0.044 0.000 1.972 304 A HA -0.132 4.189 4.320 0.000 0.000 0.219 304 A C 1.976 179.545 177.584 -0.025 0.000 1.169 304 A CA 2.200 54.217 52.037 -0.033 0.000 0.635 304 A CB -1.319 17.658 19.000 -0.039 0.000 0.810 304 A HN 0.253 nan 8.150 nan 0.000 0.446 305 V N -5.771 114.128 119.914 -0.024 0.000 3.556 305 V HA 0.225 4.345 4.120 0.000 0.000 0.287 305 V C 1.368 177.458 176.094 -0.008 0.000 1.422 305 V CA 0.472 62.742 62.300 -0.050 0.000 1.038 305 V CB -0.713 31.059 31.823 -0.086 0.000 0.850 305 V HN 0.539 nan 8.190 nan 0.000 0.437 306 C N -0.074 119.256 119.300 0.050 0.000 3.201 306 C HA 0.894 5.354 4.460 0.000 0.000 0.124 306 C C 1.235 176.250 174.990 0.041 0.000 2.588 306 C CA 0.892 59.981 59.018 0.118 0.000 0.963 306 C CB 0.864 28.688 27.740 0.140 0.000 1.575 306 C HN 1.045 nan 8.230 nan 0.000 0.648 307 G N -0.314 108.491 108.800 0.007 0.000 2.352 307 G HA2 0.372 4.332 3.960 0.000 0.000 0.283 307 G HA3 0.372 4.332 3.960 0.000 0.000 0.283 307 G C -1.430 173.452 174.900 -0.030 0.000 1.308 307 G CA 0.302 45.395 45.100 -0.013 0.000 0.892 307 G HN 0.561 nan 8.290 nan 0.000 0.504 308 T N 3.018 117.555 114.554 -0.029 0.000 2.840 308 T HA 0.714 5.064 4.350 0.000 0.000 0.287 308 T C -2.494 172.190 174.700 -0.027 0.000 0.991 308 T CA -0.744 61.335 62.100 -0.035 0.000 0.964 308 T CB 2.467 71.312 68.868 -0.038 0.000 0.954 308 T HN 0.478 nan 8.240 nan 0.000 0.438 312 E N 1.236 121.410 120.200 -0.043 0.000 2.042 312 E HA 0.147 4.497 4.350 0.000 0.000 0.189 312 E C 1.978 178.568 176.600 -0.017 0.000 0.974 312 E CA 1.382 57.765 56.400 -0.028 0.000 0.806 312 E CB -0.261 29.424 29.700 -0.025 0.000 0.769 312 E HN 0.254 nan 8.360 nan 0.000 0.451 313 A N 1.203 124.014 122.820 -0.014 0.000 1.917 313 A HA -0.278 4.042 4.320 0.000 0.000 0.219 313 A C 2.170 179.770 177.584 0.028 0.000 1.182 313 A CA 2.031 54.071 52.037 0.006 0.000 0.633 313 A CB -0.534 18.471 19.000 0.008 0.000 0.819 313 A HN 0.124 nan 8.150 nan 0.000 0.448 314 R N -0.738 119.772 120.500 0.016 0.000 2.092 314 R HA -0.103 4.237 4.340 0.000 0.000 0.231 314 R C 2.280 178.595 176.300 0.025 0.000 1.119 314 R CA 1.646 57.770 56.100 0.040 0.000 0.970 314 R CB -0.174 30.085 30.300 -0.068 0.000 0.864 314 R HN 0.535 nan 8.270 nan 0.000 0.440 315 E N -0.283 119.914 120.200 -0.005 0.000 2.072 315 E HA -0.045 4.305 4.350 0.000 0.000 0.190 315 E C 1.822 178.423 176.600 0.001 0.000 0.982 315 E CA 0.801 57.196 56.400 -0.008 0.000 0.803 315 E CB -0.154 29.535 29.700 -0.019 0.000 0.755 315 E HN 0.594 nan 8.360 nan 0.000 0.453 316 A N 0.610 123.431 122.820 0.002 0.000 1.892 316 A HA -0.172 4.148 4.320 0.000 0.000 0.218 316 A C 2.301 179.888 177.584 0.005 0.000 1.188 316 A CA 1.982 54.020 52.037 0.002 0.000 0.631 316 A CB -0.751 18.249 19.000 0.000 0.000 0.822 316 A HN 0.523 nan 8.150 nan 0.000 0.447 317 I N -0.529 120.052 120.570 0.019 0.000 2.179 317 I HA -0.281 3.889 4.170 0.000 0.000 0.242 317 I C 2.751 178.862 176.117 -0.010 0.000 1.088 317 I CA 1.380 62.687 61.300 0.010 0.000 1.357 317 I CB -0.378 37.645 38.000 0.040 0.000 1.051 317 I HN 0.358 nan 8.210 nan 0.000 0.409 318 Q N 0.335 120.145 119.800 0.017 0.000 2.135 318 Q HA -0.225 4.116 4.340 0.000 0.000 0.204 318 Q C 2.377 178.368 176.000 -0.015 0.000 0.981 318 Q CA 1.516 57.318 55.803 -0.002 0.000 0.856 318 Q CB -0.530 28.214 28.738 0.011 0.000 0.902 318 Q HN 0.337 nan 8.270 nan 0.000 0.425 319 K N 0.599 120.995 120.400 -0.006 0.000 2.062 319 K HA 0.025 4.345 4.320 0.000 0.000 0.205 319 K C 2.164 178.765 176.600 0.001 0.000 1.051 319 K CA 0.550 56.836 56.287 -0.002 0.000 0.941 319 K CB -0.374 32.126 32.500 -0.001 0.000 0.719 319 K HN 0.302 nan 8.250 nan 0.000 0.440 320 I N 0.433 121.002 120.570 -0.001 0.000 2.333 320 I HA -0.030 4.140 4.170 0.000 0.000 0.246 320 I C 0.886 177.018 176.117 0.025 0.000 1.106 320 I CA 0.837 62.142 61.300 0.008 0.000 1.411 320 I CB -0.058 37.942 38.000 0.000 0.000 1.082 320 I HN 0.295 nan 8.210 nan 0.000 0.420 321 E N 2.874 123.069 120.200 -0.008 0.000 2.290 321 E HA 0.060 4.410 4.350 0.000 0.000 0.277 321 E C -1.775 174.819 176.600 -0.009 0.000 1.035 321 E CA -1.470 54.917 56.400 -0.021 0.000 0.873 321 E CB 0.638 30.178 29.700 -0.266 0.000 1.029 321 E HN 0.135 nan 8.360 nan 0.000 0.419 322 P HA 0.060 nan 4.420 nan 0.000 0.253 322 P C -0.916 176.553 177.300 0.280 0.000 1.459 322 P CA 0.221 63.432 63.100 0.185 0.000 0.908 322 P CB -0.311 31.514 31.700 0.208 0.000 1.470 323 F N -2.302 117.706 119.950 0.097 0.000 2.685 323 F HA 0.627 5.154 4.527 0.000 0.000 0.315 323 F C -1.116 174.758 175.800 0.123 0.000 1.126 323 F CA -1.497 56.566 58.000 0.106 0.000 0.950 323 F CB 0.707 39.776 39.000 0.113 0.000 1.360 323 F HN -0.409 nan 8.300 nan 0.000 0.469 324 D N 1.447 121.937 120.400 0.151 0.000 2.274 324 D HA 0.291 4.931 4.640 0.000 0.000 0.239 324 D C 0.649 177.086 176.300 0.229 0.000 1.104 324 D CA -0.334 53.707 54.000 0.069 0.000 0.840 324 D CB 2.097 42.966 40.800 0.115 0.000 1.100 324 D HN 0.608 nan 8.370 nan 0.000 0.477 325 R N 1.648 122.186 120.500 0.064 0.000 2.120 325 R HA -0.119 4.221 4.340 0.000 0.000 0.234 325 R C 0.666 177.066 176.300 0.166 0.000 1.123 325 R CA 0.753 56.981 56.100 0.213 0.000 0.975 325 R CB 0.089 30.375 30.300 -0.023 0.000 0.866 325 R HN 0.616 nan 8.270 nan 0.000 0.446 326 E N -2.153 118.096 120.200 0.083 0.000 3.221 326 E HA -0.327 4.023 4.350 0.000 0.000 0.410 326 E C 0.922 177.389 176.600 -0.222 0.000 1.531 326 E CA 2.017 58.364 56.400 -0.090 0.000 1.285 326 E CB -1.255 28.492 29.700 0.078 0.000 1.542 326 E HN 0.222 nan 8.360 nan 0.000 0.482 327 F N 0.096 120.109 119.950 0.105 0.000 2.710 327 F HA 0.183 4.710 4.527 0.000 0.000 0.298 327 F C 1.105 176.925 175.800 0.033 0.000 1.137 327 F CA 0.219 58.266 58.000 0.078 0.000 1.444 327 F CB 0.122 39.184 39.000 0.104 0.000 1.111 327 F HN 0.106 nan 8.300 nan 0.000 0.580 328 F N 2.320 122.171 119.950 -0.164 0.000 2.495 328 F HA 0.256 4.783 4.527 0.000 0.000 0.365 328 F C 1.375 177.099 175.800 -0.127 0.000 1.090 328 F CA -0.065 57.746 58.000 -0.314 0.000 1.235 328 F CB 0.256 38.666 39.000 -0.983 0.000 1.119 328 F HN 0.220 nan 8.300 nan 0.000 0.562 329 T N 1.686 115.811 114.554 -0.715 0.000 5.221 329 T HA -0.196 4.154 4.350 0.000 0.000 0.299 329 T C 0.459 175.205 174.700 0.077 0.000 1.489 329 T CA 0.591 62.423 62.100 -0.447 0.000 2.593 329 T CB -2.540 65.897 68.868 -0.718 0.000 1.859 329 T HN 1.396 nan 8.240 nan 0.000 0.982 333 G N -0.511 108.025 108.800 -0.439 0.000 2.404 333 G HA2 0.467 4.427 3.960 0.000 0.000 0.253 333 G HA3 0.467 4.427 3.960 0.000 0.000 0.253 333 G C -2.348 171.688 174.900 -1.439 0.000 1.253 333 G CA -0.099 44.217 45.100 -1.307 0.000 0.917 333 G HN 1.712 nan 8.290 nan 0.000 0.480 334 W N -0.540 119.686 121.300 -1.790 0.000 3.083 334 W HA 0.853 5.513 4.660 0.000 0.000 0.333 334 W C -1.053 175.035 176.519 -0.717 0.000 1.217 334 W CA -0.788 55.971 57.345 -0.977 0.000 1.170 334 W CB 1.180 30.232 29.460 -0.681 0.000 1.437 334 W HN 1.221 nan 8.180 nan 0.000 0.557 335 S N 1.091 116.747 115.700 -0.074 0.000 2.550 335 S HA 0.440 4.910 4.470 0.000 0.000 0.270 335 S C -1.423 173.285 174.600 0.179 0.000 1.145 335 S CA -0.434 57.723 58.200 -0.072 0.000 0.852 335 S CB 1.666 64.942 63.200 0.127 0.000 1.119 335 S HN 0.580 nan 8.310 nan 0.000 0.465 336 D N 1.747 122.240 120.400 0.155 0.000 2.467 336 D HA 0.341 4.981 4.640 0.000 0.000 0.245 336 D C 1.164 177.515 176.300 0.085 0.000 1.038 336 D CA -0.860 53.252 54.000 0.187 0.000 1.038 336 D CB 0.192 41.169 40.800 0.296 0.000 1.278 336 D HN 0.339 nan 8.370 nan 0.000 0.564 337 L N 0.672 121.938 121.223 0.071 0.000 2.081 337 L HA -0.146 4.194 4.340 0.000 0.000 0.212 337 L C 1.200 178.088 176.870 0.031 0.000 1.080 337 L CA 1.900 56.763 54.840 0.039 0.000 0.754 337 L CB -1.047 41.034 42.059 0.036 0.000 0.893 337 L HN 0.410 nan 8.230 nan 0.000 0.433 338 N N -0.027 118.701 118.700 0.047 0.000 2.494 338 N HA 0.032 4.772 4.740 0.000 0.000 0.182 338 N C 1.455 176.973 175.510 0.013 0.000 1.076 338 N CA 1.022 54.093 53.050 0.034 0.000 0.908 338 N CB 0.101 38.620 38.487 0.053 0.000 0.967 338 N HN 0.560 nan 8.380 nan 0.000 0.449 339 G N 0.317 109.117 108.800 0.001 0.000 2.176 339 G HA2 -0.212 3.748 3.960 0.000 0.000 0.232 339 G HA3 -0.212 3.748 3.960 0.000 0.000 0.232 339 G C -0.354 174.490 174.900 -0.093 0.000 0.986 339 G CA -0.144 44.930 45.100 -0.044 0.000 0.643 339 G HN 0.249 nan 8.290 nan 0.000 0.522 340 D N 0.802 121.161 120.400 -0.068 0.000 2.357 340 D HA 0.577 5.217 4.640 0.000 0.000 0.242 340 D C 0.876 176.861 176.300 -0.525 0.000 1.153 340 D CA 1.613 55.503 54.000 -0.183 0.000 0.918 340 D CB 1.331 42.166 40.800 0.057 0.000 1.181 340 D HN 1.115 nan 8.370 nan 0.000 0.435 341 G N 0.199 108.398 108.800 -1.003 0.000 2.313 341 G HA2 0.379 4.339 3.960 0.000 0.000 0.296 341 G HA3 0.379 4.339 3.960 0.000 0.000 0.296 341 G C -1.703 172.351 174.900 -1.410 0.000 1.356 341 G CA -0.780 43.145 45.100 -1.959 0.000 0.833 341 G HN 0.352 nan 8.290 nan 0.000 0.552 342 E N -0.791 118.398 120.200 -1.685 0.000 2.275 342 E HA 0.491 4.841 4.350 0.000 0.000 0.270 342 E C -1.766 174.162 176.600 -1.120 0.000 0.882 342 E CA -0.479 55.416 56.400 -0.842 0.000 0.758 342 E CB 2.493 32.077 29.700 -0.193 0.000 1.195 342 E HN 0.449 nan 8.360 nan 0.000 0.419 343 W N 4.158 125.261 121.300 -0.328 0.000 2.683 343 W HA 0.484 5.144 4.660 0.000 0.000 0.329 343 W C -0.269 176.112 176.519 -0.230 0.000 1.037 343 W CA -0.691 56.492 57.345 -0.270 0.000 1.232 343 W CB 0.971 30.270 29.460 -0.268 0.000 1.390 343 W HN 0.415 nan 8.180 nan 0.000 0.465 344 I N 0.167 120.710 120.570 -0.044 0.000 2.607 344 I HA 0.757 4.927 4.170 0.000 0.000 0.305 344 I C -0.409 175.663 176.117 -0.075 0.000 0.995 344 I CA -1.314 59.893 61.300 -0.155 0.000 1.148 344 I CB 1.188 39.037 38.000 -0.252 0.000 1.323 344 I HN 0.019 nan 8.210 nan 0.000 0.461 345 V N 3.286 123.162 119.914 -0.063 0.000 2.508 345 V HA 0.122 4.242 4.120 0.000 0.000 0.281 345 V C 0.516 176.599 176.094 -0.018 0.000 1.041 345 V CA -0.101 62.182 62.300 -0.029 0.000 1.016 345 V CB 0.822 32.634 31.823 -0.018 0.000 0.984 345 V HN 0.850 nan 8.190 nan 0.000 0.478 346 T N 7.837 122.377 114.554 -0.023 0.000 2.987 346 T HA 0.490 4.840 4.350 0.000 0.000 0.288 346 T C 0.011 174.799 174.700 0.147 0.000 0.981 346 T CA 0.179 62.296 62.100 0.027 0.000 1.031 346 T CB -0.770 68.114 68.868 0.026 0.000 0.976 346 T HN 0.600 nan 8.240 nan 0.000 0.612 347 I N -1.308 119.415 120.570 0.255 0.000 3.343 347 I HA 0.703 4.873 4.170 0.000 0.000 0.315 347 I C -0.482 175.862 176.117 0.379 0.000 1.153 347 I CA -1.832 59.675 61.300 0.345 0.000 0.952 347 I CB 1.443 39.568 38.000 0.209 0.000 1.287 347 I HN 0.027 nan 8.210 nan 0.000 0.472 348 R N 0.319 121.014 120.500 0.326 0.000 3.264 348 R HA -0.149 4.192 4.340 0.000 0.000 0.251 348 R C -0.642 175.793 176.300 0.224 0.000 0.971 348 R CA 0.799 57.036 56.100 0.229 0.000 0.658 348 R CB -2.718 27.696 30.300 0.190 0.000 1.095 348 R HN 0.965 nan 8.270 nan 0.000 0.443 349 C N -3.536 115.940 119.300 0.293 0.000 3.213 349 C HA 1.000 5.460 4.460 0.000 0.000 0.319 349 C C -0.091 175.084 174.990 0.309 0.000 1.386 349 C CA -0.498 58.697 59.018 0.296 0.000 1.494 349 C CB 2.570 30.616 27.740 0.511 0.000 1.905 349 C HN 0.759 nan 8.230 nan 0.000 0.456 350 A N -0.072 122.914 122.820 0.276 0.000 2.572 350 A HA 0.758 5.078 4.320 0.000 0.000 0.295 350 A C -1.225 176.528 177.584 0.281 0.000 1.072 350 A CA -0.288 51.906 52.037 0.261 0.000 0.691 350 A CB 1.116 20.184 19.000 0.112 0.000 1.291 350 A HN 0.902 nan 8.150 nan 0.000 0.404 351 E N 0.574 120.950 120.200 0.293 0.000 2.200 351 E HA 0.504 4.854 4.350 0.000 0.000 0.283 351 E C -1.154 175.535 176.600 0.148 0.000 1.015 351 E CA -0.370 56.179 56.400 0.249 0.000 0.819 351 E CB 1.650 31.528 29.700 0.297 0.000 1.081 351 E HN 0.387 nan 8.360 nan 0.000 0.397 352 V N 3.828 123.819 119.914 0.129 0.000 2.487 352 V HA 0.307 4.427 4.120 0.000 0.000 0.298 352 V C -0.439 175.709 176.094 0.091 0.000 1.028 352 V CA -0.711 61.646 62.300 0.094 0.000 0.860 352 V CB 1.595 33.469 31.823 0.085 0.000 0.991 352 V HN 0.648 nan 8.190 nan 0.000 0.427 353 Q N 3.226 123.071 119.800 0.075 0.000 2.374 353 Q HA 0.462 4.802 4.340 0.000 0.000 0.250 353 Q C 0.039 176.069 176.000 0.050 0.000 0.918 353 Q CA -0.134 55.710 55.803 0.067 0.000 0.778 353 Q CB 1.421 30.202 28.738 0.072 0.000 1.328 353 Q HN 0.853 nan 8.270 nan 0.000 0.445 354 E N 1.985 122.213 120.200 0.045 0.000 3.171 354 E HA -0.326 4.024 4.350 0.000 0.000 0.412 354 E C -0.156 176.460 176.600 0.027 0.000 1.516 354 E CA 2.663 59.082 56.400 0.032 0.000 1.196 354 E CB -1.040 28.675 29.700 0.026 0.000 1.522 354 E HN 0.912 nan 8.360 nan 0.000 0.487 355 N N 0.649 119.360 118.700 0.018 0.000 2.270 355 N HA 0.084 4.825 4.740 0.000 0.000 0.198 355 N C -0.047 175.476 175.510 0.021 0.000 1.117 355 N CA 1.024 54.079 53.050 0.008 0.000 0.845 355 N CB 0.436 38.914 38.487 -0.014 0.000 0.980 355 N HN 0.503 nan 8.380 nan 0.000 0.486 356 T N -1.702 112.871 114.554 0.031 0.000 2.916 356 T HA 0.747 5.097 4.350 0.000 0.000 0.292 356 T C -0.772 173.950 174.700 0.036 0.000 1.055 356 T CA -0.783 61.336 62.100 0.031 0.000 1.009 356 T CB 2.066 70.945 68.868 0.019 0.000 1.118 356 T HN -0.040 nan 8.240 nan 0.000 0.497 357 L N 0.848 122.082 121.223 0.018 0.000 2.409 357 L HA 0.687 5.027 4.340 0.000 0.000 0.262 357 L C -0.299 176.539 176.870 -0.053 0.000 0.992 357 L CA -0.897 53.947 54.840 0.006 0.000 0.817 357 L CB 2.520 44.579 42.059 -0.000 0.000 1.350 357 L HN 0.816 nan 8.230 nan 0.000 0.411 358 R N 2.053 122.511 120.500 -0.071 0.000 2.393 358 R HA 0.747 5.087 4.340 0.000 0.000 0.315 358 R C -1.625 174.479 176.300 -0.327 0.000 0.952 358 R CA -0.614 55.338 56.100 -0.246 0.000 0.842 358 R CB 0.983 31.111 30.300 -0.286 0.000 1.163 358 R HN 0.462 nan 8.270 nan 0.000 0.450 359 L N 4.423 125.436 121.223 -0.350 0.000 2.352 359 L HA 0.539 4.879 4.340 0.000 0.000 0.269 359 L C -0.903 175.824 176.870 -0.239 0.000 1.034 359 L CA -0.358 54.391 54.840 -0.153 0.000 0.806 359 L CB 1.157 43.188 42.059 -0.047 0.000 1.244 359 L HN 0.565 nan 8.230 nan 0.000 0.447 360 Y N 0.020 120.320 120.300 -0.001 0.000 2.581 360 Y HA 0.827 5.377 4.550 0.000 0.000 0.345 360 Y C -0.210 175.255 175.900 -0.726 0.000 1.036 360 Y CA -1.139 56.672 58.100 -0.481 0.000 1.042 360 Y CB 2.233 39.794 38.460 -1.498 0.000 1.289 360 Y HN 0.617 nan 8.280 nan 0.000 0.471 361 A N 0.666 123.064 122.820 -0.704 0.000 2.555 361 A HA 0.777 5.097 4.320 0.000 0.000 0.297 361 A C -1.029 176.463 177.584 -0.154 0.000 1.060 361 A CA -0.126 51.555 52.037 -0.594 0.000 0.710 361 A CB 1.140 19.279 19.000 -1.436 0.000 1.282 361 A HN 1.085 nan 8.150 nan 0.000 0.399 362 G N -0.441 108.436 108.800 0.128 0.000 2.630 362 G HA2 0.925 4.885 3.960 0.000 0.000 0.296 362 G HA3 0.925 4.885 3.960 0.000 0.000 0.296 362 G C -0.683 174.284 174.900 0.113 0.000 1.285 362 G CA -0.099 45.108 45.100 0.178 0.000 0.958 362 G HN 2.049 nan 8.290 nan 0.000 0.479 363 A N -0.437 122.471 122.820 0.147 0.000 2.408 363 A HA 0.786 5.106 4.320 0.000 0.000 0.295 363 A C 0.186 177.835 177.584 0.108 0.000 1.040 363 A CA -0.009 52.105 52.037 0.128 0.000 0.707 363 A CB 1.411 20.505 19.000 0.158 0.000 1.235 363 A HN 1.697 nan 8.150 nan 0.000 0.418 364 G N 0.715 109.564 108.800 0.082 0.000 2.343 364 G HA2 0.490 4.450 3.960 0.000 0.000 0.254 364 G HA3 0.490 4.450 3.960 0.000 0.000 0.254 364 G C -0.394 174.540 174.900 0.057 0.000 1.277 364 G CA 0.059 45.194 45.100 0.059 0.000 0.909 364 G HN 0.905 nan 8.290 nan 0.000 0.502 365 V N 3.087 123.026 119.914 0.041 0.000 2.555 365 V HA 0.670 4.790 4.120 0.000 0.000 0.302 365 V C 0.260 176.366 176.094 0.022 0.000 1.038 365 V CA -0.494 61.824 62.300 0.030 0.000 0.887 365 V CB 1.619 33.451 31.823 0.014 0.000 0.991 365 V HN 0.903 nan 8.190 nan 0.000 0.434 366 V N 1.458 121.386 119.914 0.023 0.000 3.159 366 V HA 0.858 4.978 4.120 0.000 0.000 0.308 366 V C 1.010 177.116 176.094 0.020 0.000 1.190 366 V CA -0.132 62.182 62.300 0.023 0.000 1.037 366 V CB 1.307 33.151 31.823 0.035 0.000 1.060 366 V HN 0.910 nan 8.190 nan 0.000 0.437 367 A N 0.163 122.995 122.820 0.020 0.000 1.954 367 A HA -0.254 4.066 4.320 0.000 0.000 0.222 367 A C 1.676 179.270 177.584 0.017 0.000 1.199 367 A CA 2.873 54.920 52.037 0.016 0.000 0.657 367 A CB -0.943 18.068 19.000 0.018 0.000 0.823 367 A HN 1.095 nan 8.150 nan 0.000 0.463 368 E N 0.691 120.905 120.200 0.023 0.000 2.274 368 E HA 0.048 4.398 4.350 0.000 0.000 0.194 368 E C 0.785 177.399 176.600 0.022 0.000 0.996 368 E CA 0.471 56.885 56.400 0.023 0.000 0.840 368 E CB -0.182 29.535 29.700 0.029 0.000 0.772 368 E HN 0.527 nan 8.360 nan 0.000 0.491 369 S N 1.004 116.718 115.700 0.023 0.000 2.558 369 S HA 0.285 4.755 4.470 0.000 0.000 0.291 369 S C 0.330 174.941 174.600 0.019 0.000 1.306 369 S CA 0.281 58.496 58.200 0.024 0.000 1.056 369 S CB 0.432 63.646 63.200 0.024 0.000 0.836 369 S HN 0.324 nan 8.310 nan 0.000 0.504 370 K N 3.291 123.706 120.400 0.025 0.000 2.307 370 K HA 0.525 4.845 4.320 0.000 0.000 0.263 370 K C -2.406 174.210 176.600 0.027 0.000 0.973 370 K CA -2.255 54.046 56.287 0.023 0.000 0.846 370 K CB 0.199 32.714 32.500 0.025 0.000 1.100 370 K HN 0.357 nan 8.250 nan 0.000 0.438 371 P HA -0.256 nan 4.420 nan 0.000 0.216 371 P C 0.783 178.115 177.300 0.054 0.000 1.157 371 P CA 1.428 64.538 63.100 0.017 0.000 0.880 371 P CB 0.426 32.127 31.700 0.002 0.000 0.791 372 E N -0.822 119.408 120.200 0.051 0.000 2.150 372 E HA -0.162 4.188 4.350 0.000 0.000 0.193 372 E C 1.457 178.093 176.600 0.061 0.000 0.985 372 E CA 0.986 57.422 56.400 0.060 0.000 0.814 372 E CB -0.534 29.196 29.700 0.049 0.000 0.752 372 E HN 0.345 nan 8.360 nan 0.000 0.466 373 D N 1.006 121.440 120.400 0.056 0.000 2.117 373 D HA -0.127 4.513 4.640 0.000 0.000 0.198 373 D C 1.874 178.218 176.300 0.073 0.000 0.982 373 D CA 0.791 54.824 54.000 0.056 0.000 0.828 373 D CB -0.104 40.725 40.800 0.048 0.000 0.967 373 D HN 0.097 nan 8.370 nan 0.000 0.464 374 E N 0.458 120.716 120.200 0.097 0.000 2.077 374 E HA -0.143 4.207 4.350 0.000 0.000 0.193 374 E C 2.258 178.978 176.600 0.200 0.000 0.989 374 E CA 0.255 56.744 56.400 0.148 0.000 0.800 374 E CB -0.459 29.333 29.700 0.153 0.000 0.746 374 E HN 0.244 nan 8.360 nan 0.000 0.452 375 L N 0.988 122.341 121.223 0.217 0.000 2.046 375 L HA -0.103 4.237 4.340 0.000 0.000 0.208 375 L C 2.251 179.111 176.870 -0.017 0.000 1.077 375 L CA 2.112 57.014 54.840 0.103 0.000 0.747 375 L CB -0.647 41.455 42.059 0.072 0.000 0.896 375 L HN 0.056 nan 8.230 nan 0.000 0.432 376 A N -0.774 122.056 122.820 0.017 0.000 1.908 376 A HA -0.295 4.025 4.320 0.000 0.000 0.218 376 A C 2.330 179.923 177.584 0.015 0.000 1.181 376 A CA 1.917 53.961 52.037 0.012 0.000 0.627 376 A CB -0.787 18.230 19.000 0.029 0.000 0.818 376 A HN 0.658 nan 8.150 nan 0.000 0.445 377 E N -0.235 119.982 120.200 0.029 0.000 2.077 377 E HA -0.187 4.163 4.350 0.000 0.000 0.193 377 E C 2.110 178.700 176.600 -0.017 0.000 0.989 377 E CA 1.913 58.329 56.400 0.027 0.000 0.800 377 E CB -0.240 29.493 29.700 0.055 0.000 0.746 377 E HN 0.756 nan 8.360 nan 0.000 0.452 378 T N -1.646 112.869 114.554 -0.065 0.000 2.746 378 T HA -0.103 4.247 4.350 0.000 0.000 0.267 378 T C 2.155 176.744 174.700 -0.185 0.000 1.039 378 T CA 1.536 63.503 62.100 -0.221 0.000 1.142 378 T CB -0.406 68.250 68.868 -0.352 0.000 0.866 378 T HN -0.005 nan 8.240 nan 0.000 0.444 379 S N 2.008 117.711 115.700 0.005 0.000 2.368 379 S HA 0.104 4.575 4.470 0.000 0.000 0.225 379 S C 2.656 177.318 174.600 0.103 0.000 1.030 379 S CA 0.956 59.249 58.200 0.155 0.000 0.999 379 S CB -0.893 62.353 63.200 0.076 0.000 0.844 379 S HN 0.783 nan 8.310 nan 0.000 0.459 380 A N 1.728 124.569 122.820 0.036 0.000 1.908 380 A HA -0.145 4.175 4.320 0.000 0.000 0.218 380 A C 2.055 179.650 177.584 0.019 0.000 1.181 380 A CA 1.544 53.596 52.037 0.025 0.000 0.627 380 A CB -0.402 18.608 19.000 0.018 0.000 0.818 380 A HN 0.448 nan 8.150 nan 0.000 0.445 381 K N -1.623 118.764 120.400 -0.021 0.000 2.217 381 K HA 0.007 4.327 4.320 0.000 0.000 0.202 381 K C 1.420 177.999 176.600 -0.034 0.000 1.051 381 K CA 0.951 57.216 56.287 -0.037 0.000 0.952 381 K CB -0.232 32.219 32.500 -0.082 0.000 0.736 381 K HN 0.442 nan 8.250 nan 0.000 0.453 382 F N 2.085 122.027 119.950 -0.014 0.000 2.333 382 F HA -0.160 4.367 4.527 0.000 0.000 0.300 382 F C 2.283 178.056 175.800 -0.044 0.000 1.083 382 F CA 1.000 58.975 58.000 -0.042 0.000 1.395 382 F CB -0.235 38.718 39.000 -0.077 0.000 1.056 382 F HN 0.007 nan 8.300 nan 0.000 0.529 383 Q N -0.104 119.773 119.800 0.128 0.000 2.234 383 Q HA -0.087 4.253 4.340 0.000 0.000 0.206 383 Q C 1.245 177.253 176.000 0.013 0.000 0.980 383 Q CA 0.920 56.748 55.803 0.042 0.000 0.869 383 Q CB -1.309 27.434 28.738 0.010 0.000 0.912 383 Q HN 0.283 nan 8.270 nan 0.000 0.436 387 K N 1.839 122.173 120.400 -0.110 0.000 2.057 387 K HA -0.046 4.274 4.320 0.000 0.000 0.206 387 K C 1.908 178.418 176.600 -0.151 0.000 1.050 387 K CA 1.638 57.838 56.287 -0.144 0.000 0.935 387 K CB 0.003 32.403 32.500 -0.167 0.000 0.715 387 K HN 0.303 nan 8.250 nan 0.000 0.439 388 A N 1.003 123.751 122.820 -0.120 0.000 1.978 388 A HA -0.110 4.210 4.320 0.000 0.000 0.220 388 A C 1.958 179.487 177.584 -0.092 0.000 1.170 388 A CA 1.270 53.252 52.037 -0.092 0.000 0.636 388 A CB -0.486 18.473 19.000 -0.067 0.000 0.810 388 A HN 0.363 nan 8.150 nan 0.000 0.448 389 L N -1.448 119.700 121.223 -0.126 0.000 2.554 389 L HA 0.169 4.509 4.340 0.000 0.000 0.226 389 L C 1.752 178.499 176.870 -0.206 0.000 1.137 389 L CA 0.555 55.294 54.840 -0.169 0.000 0.863 389 L CB -0.110 41.791 42.059 -0.263 0.000 0.985 389 L HN 0.585 nan 8.230 nan 0.000 0.451 390 G N 0.202 108.903 108.800 -0.165 0.000 2.162 390 G HA2 -0.298 3.662 3.960 0.000 0.000 0.260 390 G HA3 -0.298 3.662 3.960 0.000 0.000 0.260 390 G C 0.575 175.361 174.900 -0.189 0.000 0.976 390 G CA 0.294 45.305 45.100 -0.147 0.000 0.655 390 G HN 0.337 nan 8.290 nan 0.000 0.533 391 L N 1.334 122.409 121.223 -0.247 0.000 2.818 391 L HA 0.229 4.569 4.340 0.000 0.000 0.243 391 L C 1.386 178.158 176.870 -0.163 0.000 1.185 391 L CA -0.279 54.415 54.840 -0.243 0.000 0.988 391 L CB -0.419 41.426 42.059 -0.358 0.000 1.292 391 L HN 0.444 nan 8.230 nan 0.000 0.519 392 N N 0.000 118.622 118.700 -0.131 0.000 1.763 392 N HA 0.000 4.740 4.740 0.000 0.000 0.220 392 N CA 0.000 52.993 53.050 -0.095 0.000 0.885 392 N CB 0.000 38.433 38.487 -0.090 0.000 1.341 392 N HN 0.000 nan 8.380 nan 0.000 0.667