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 3mp4_1_E DATA FIRST_RESID 28 DATA SEQUENCE TLPKRVKIVE VGPMDGLQNE KNIVSTPVKI KLIDMLSEAG LSVIETTSFV DATA SEQUENCE SPKWVPQMGD HTEVLKGIQK FPGINYPVLT PNLKGFEAAV AAGAKEVVIF DATA SEQUENCE GAASELFTKK NINCSIEESF QRFDAILKAA QSANISVRGY VSCALGCPYE DATA SEQUENCE GKISPAKVAE VTKKFYSMGC YEISLGDTIG VGTPGIMKDM LSAVMQEVPL DATA SEQUENCE AALAVHCHDT YGQALANTLM ALQMGVSVVD SSVAGLGGCP YAQGASGNLA DATA SEQUENCE TEDLVYMLEG LGIHTGVNLQ KLLEAGNFIC QALNRKTSSK VAQATC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 T HA 0.000 nan 4.350 nan 0.000 0.228 28 T C 0.000 174.701 174.700 0.002 0.000 1.109 28 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 28 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 29 L N 4.800 126.025 121.223 0.003 0.000 2.426 29 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 29 L C -1.744 175.130 176.870 0.008 0.000 1.169 29 L CA -1.773 53.069 54.840 0.005 0.000 0.836 29 L CB 0.165 42.226 42.059 0.004 0.000 1.112 29 L HN 0.437 nan 8.230 nan 0.000 0.465 30 P HA 0.122 nan 4.420 nan 0.000 0.274 30 P C -0.335 176.978 177.300 0.021 0.000 1.237 30 P CA -0.538 62.572 63.100 0.016 0.000 0.793 30 P CB 1.063 32.775 31.700 0.019 0.000 0.977 31 K N 0.419 120.834 120.400 0.025 0.000 2.243 31 K HA 0.015 4.335 4.320 -0.000 0.000 0.201 31 K C 1.097 177.734 176.600 0.061 0.000 1.051 31 K CA 0.950 57.257 56.287 0.033 0.000 0.970 31 K CB 0.120 32.633 32.500 0.022 0.000 0.755 31 K HN 0.626 nan 8.250 nan 0.000 0.465 32 R N -0.886 119.655 120.500 0.068 0.000 2.626 32 R HA 0.500 4.840 4.340 -0.000 0.000 0.274 32 R C -1.206 175.139 176.300 0.075 0.000 1.031 32 R CA -0.724 55.444 56.100 0.113 0.000 0.898 32 R CB 1.380 31.788 30.300 0.180 0.000 1.222 32 R HN -0.294 nan 8.270 nan 0.000 0.455 33 V N 2.266 122.214 119.914 0.056 0.000 2.448 33 V HA 0.347 4.467 4.120 -0.000 0.000 0.295 33 V C -0.189 175.919 176.094 0.023 0.000 1.025 33 V CA -0.826 61.492 62.300 0.030 0.000 0.859 33 V CB 1.835 33.663 31.823 0.010 0.000 0.988 33 V HN 0.661 nan 8.190 nan 0.000 0.431 34 K N 5.822 126.241 120.400 0.030 0.000 2.263 34 K HA 0.444 4.764 4.320 -0.000 0.000 0.282 34 K C -0.615 175.990 176.600 0.007 0.000 1.089 34 K CA -0.314 55.987 56.287 0.024 0.000 0.907 34 K CB 0.382 32.906 32.500 0.041 0.000 1.148 34 K HN 0.612 nan 8.250 nan 0.000 0.470 35 I N 4.294 124.858 120.570 -0.011 0.000 2.441 35 I HA 0.061 4.231 4.170 -0.000 0.000 0.287 35 I C -0.007 176.098 176.117 -0.021 0.000 1.049 35 I CA -0.729 60.563 61.300 -0.014 0.000 1.381 35 I CB 1.464 39.450 38.000 -0.024 0.000 1.409 35 I HN 0.161 nan 8.210 nan 0.000 0.523 36 V N 5.876 125.779 119.914 -0.019 0.000 2.311 36 V HA 0.145 4.265 4.120 -0.000 0.000 0.275 36 V C 0.159 176.225 176.094 -0.046 0.000 1.022 36 V CA -0.590 61.691 62.300 -0.032 0.000 0.830 36 V CB 1.200 33.006 31.823 -0.028 0.000 1.012 36 V HN 0.640 nan 8.190 nan 0.000 0.452 37 E N 4.406 124.578 120.200 -0.047 0.000 2.257 37 E HA 0.220 4.570 4.350 -0.000 0.000 0.278 37 E C 0.404 176.976 176.600 -0.047 0.000 1.049 37 E CA -0.078 56.298 56.400 -0.040 0.000 0.876 37 E CB 1.375 31.054 29.700 -0.035 0.000 1.035 37 E HN 0.531 nan 8.360 nan 0.000 0.419 38 V N 2.367 122.246 119.914 -0.058 0.000 3.253 38 V HA 0.441 4.561 4.120 -0.000 0.000 0.320 38 V C 1.332 177.401 176.094 -0.042 0.000 1.442 38 V CA 0.511 62.767 62.300 -0.073 0.000 1.097 38 V CB 0.363 32.090 31.823 -0.159 0.000 1.008 38 V HN 0.576 nan 8.190 nan 0.000 0.463 39 G N 2.453 111.241 108.800 -0.019 0.000 2.476 39 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 39 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 39 G C 0.214 175.111 174.900 -0.005 0.000 1.164 39 G CA 1.571 46.667 45.100 -0.007 0.000 0.768 39 G HN 0.632 nan 8.290 nan 0.000 0.560 40 P HA -0.027 nan 4.420 nan 0.000 0.226 40 P C 1.572 178.871 177.300 -0.003 0.000 1.153 40 P CA 1.046 64.153 63.100 0.010 0.000 0.777 40 P CB 0.179 31.897 31.700 0.030 0.000 0.794 41 M N -0.283 119.308 119.600 -0.015 0.000 3.127 41 M HA 0.058 4.538 4.480 -0.000 0.000 0.228 41 M C 1.572 177.847 176.300 -0.042 0.000 1.558 41 M CA 1.288 56.572 55.300 -0.027 0.000 1.349 41 M CB -0.950 31.633 32.600 -0.029 0.000 1.098 41 M HN -0.251 nan 8.290 nan 0.000 0.582 42 D N -0.115 120.249 120.400 -0.060 0.000 2.144 42 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 42 D C 1.761 178.046 176.300 -0.026 0.000 0.978 42 D CA 1.756 55.725 54.000 -0.052 0.000 0.833 42 D CB -0.213 40.551 40.800 -0.059 0.000 0.961 42 D HN 0.524 nan 8.370 nan 0.000 0.470 43 G N 0.260 109.047 108.800 -0.023 0.000 2.484 43 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 43 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 43 G C 1.380 176.264 174.900 -0.027 0.000 1.219 43 G CA 0.619 45.706 45.100 -0.021 0.000 0.791 43 G HN 0.247 nan 8.290 nan 0.000 0.550 44 L N 0.761 121.970 121.223 -0.023 0.000 2.131 44 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 44 L C 2.785 179.641 176.870 -0.024 0.000 1.092 44 L CA 1.377 56.203 54.840 -0.024 0.000 0.759 44 L CB -1.033 41.015 42.059 -0.018 0.000 0.903 44 L HN 0.369 nan 8.230 nan 0.000 0.435 45 Q N -0.080 119.706 119.800 -0.023 0.000 2.124 45 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 45 Q C 0.868 176.854 176.000 -0.023 0.000 0.977 45 Q CA 1.687 57.478 55.803 -0.019 0.000 0.850 45 Q CB 0.059 28.782 28.738 -0.026 0.000 0.901 45 Q HN 0.545 nan 8.270 nan 0.000 0.429 46 N N 0.560 119.241 118.700 -0.032 0.000 2.295 46 N HA 0.050 4.790 4.740 -0.000 0.000 0.221 46 N C -1.175 174.308 175.510 -0.046 0.000 1.129 46 N CA -0.105 52.920 53.050 -0.042 0.000 0.836 46 N CB 0.615 39.071 38.487 -0.052 0.000 1.040 46 N HN 0.099 nan 8.380 nan 0.000 0.494 47 E N 0.757 120.934 120.200 -0.039 0.000 2.166 47 E HA 0.133 4.483 4.350 -0.000 0.000 0.275 47 E C 0.767 177.345 176.600 -0.037 0.000 0.941 47 E CA -0.595 55.780 56.400 -0.041 0.000 0.784 47 E CB 0.846 30.523 29.700 -0.040 0.000 1.115 47 E HN 0.159 nan 8.360 nan 0.000 0.399 48 K N 2.663 123.040 120.400 -0.039 0.000 2.152 48 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 48 K C 0.017 176.598 176.600 -0.031 0.000 1.048 48 K CA 0.858 57.125 56.287 -0.034 0.000 0.933 48 K CB -0.143 32.335 32.500 -0.035 0.000 0.721 48 K HN 0.244 nan 8.250 nan 0.000 0.447 49 N N 2.027 120.706 118.700 -0.035 0.000 2.456 49 N HA 0.230 4.970 4.740 -0.000 0.000 0.288 49 N C -0.220 175.270 175.510 -0.034 0.000 1.059 49 N CA -0.509 52.520 53.050 -0.035 0.000 0.946 49 N CB 1.592 40.053 38.487 -0.043 0.000 1.150 49 N HN 0.262 nan 8.380 nan 0.000 0.479 50 I N -0.984 119.568 120.570 -0.030 0.000 2.353 50 I HA 0.484 4.654 4.170 -0.000 0.000 0.293 50 I C 0.193 176.291 176.117 -0.032 0.000 0.992 50 I CA -0.979 60.305 61.300 -0.027 0.000 1.268 50 I CB 1.065 39.053 38.000 -0.021 0.000 1.387 50 I HN 0.046 nan 8.210 nan 0.000 0.478 51 V N 2.592 122.487 119.914 -0.032 0.000 2.834 51 V HA 0.593 4.713 4.120 -0.000 0.000 0.313 51 V C 0.695 176.776 176.094 -0.022 0.000 1.060 51 V CA -0.649 61.631 62.300 -0.033 0.000 0.989 51 V CB 1.182 32.981 31.823 -0.038 0.000 1.041 51 V HN 0.963 nan 8.190 nan 0.000 0.459 52 S N 0.913 116.604 115.700 -0.015 0.000 2.592 52 S HA 0.156 4.626 4.470 -0.000 0.000 0.271 52 S C 1.116 175.717 174.600 0.000 0.000 1.326 52 S CA 0.276 58.471 58.200 -0.008 0.000 1.024 52 S CB 0.884 64.083 63.200 -0.001 0.000 0.921 52 S HN 0.838 nan 8.310 nan 0.000 0.527 53 T N 3.278 117.826 114.554 -0.010 0.000 2.624 53 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 53 T C -0.723 173.984 174.700 0.011 0.000 1.041 53 T CA 1.875 63.968 62.100 -0.011 0.000 1.159 53 T CB -1.656 67.195 68.868 -0.027 0.000 0.863 53 T HN 0.718 nan 8.240 nan 0.000 0.434 54 P HA -0.002 nan 4.420 nan 0.000 0.219 54 P C 1.545 178.895 177.300 0.084 0.000 1.146 54 P CA 0.750 63.872 63.100 0.037 0.000 0.808 54 P CB -0.239 31.480 31.700 0.033 0.000 0.779 55 V N 0.938 120.916 119.914 0.106 0.000 2.323 55 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 55 V C 2.656 178.864 176.094 0.190 0.000 1.041 55 V CA 1.798 64.219 62.300 0.202 0.000 1.025 55 V CB -0.999 30.884 31.823 0.099 0.000 0.656 55 V HN 0.130 nan 8.190 nan 0.000 0.451 56 K N 0.022 120.477 120.400 0.092 0.000 2.032 56 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 56 K C 2.084 178.724 176.600 0.066 0.000 1.048 56 K CA 1.768 58.095 56.287 0.068 0.000 0.927 56 K CB -0.404 32.110 32.500 0.023 0.000 0.712 56 K HN 0.366 nan 8.250 nan 0.000 0.441 57 I N 1.374 121.970 120.570 0.043 0.000 2.208 57 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 57 I C 2.647 178.776 176.117 0.020 0.000 1.097 57 I CA 1.326 62.638 61.300 0.020 0.000 1.363 57 I CB -0.219 37.784 38.000 0.005 0.000 1.051 57 I HN 0.205 nan 8.210 nan 0.000 0.413 58 K N 0.876 121.292 120.400 0.026 0.000 2.057 58 K HA -0.211 4.108 4.320 -0.000 0.000 0.206 58 K C 2.203 178.765 176.600 -0.062 0.000 1.050 58 K CA 1.151 57.397 56.287 -0.068 0.000 0.935 58 K CB -0.097 32.283 32.500 -0.201 0.000 0.715 58 K HN 0.086 nan 8.250 nan 0.000 0.439 59 L N 1.868 123.153 121.223 0.104 0.000 1.990 59 L HA -0.190 4.149 4.340 -0.000 0.000 0.213 59 L C 1.908 178.812 176.870 0.056 0.000 1.072 59 L CA 1.736 56.668 54.840 0.153 0.000 0.755 59 L CB -0.451 41.737 42.059 0.215 0.000 0.889 59 L HN 0.256 nan 8.230 nan 0.000 0.432 60 I N -0.366 120.234 120.570 0.051 0.000 2.208 60 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 60 I C 2.082 178.204 176.117 0.009 0.000 1.097 60 I CA 1.470 62.798 61.300 0.047 0.000 1.363 60 I CB -0.643 37.394 38.000 0.061 0.000 1.051 60 I HN 0.302 nan 8.210 nan 0.000 0.413 61 D N 0.543 120.944 120.400 0.001 0.000 2.144 61 D HA -0.166 4.473 4.640 -0.000 0.000 0.199 61 D C 2.293 178.536 176.300 -0.096 0.000 0.984 61 D CA 1.335 55.334 54.000 -0.001 0.000 0.834 61 D CB -0.153 40.695 40.800 0.080 0.000 0.955 61 D HN 0.312 nan 8.370 nan 0.000 0.465 62 M N -0.169 119.383 119.600 -0.080 0.000 2.175 62 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 62 M C 2.157 178.400 176.300 -0.096 0.000 1.063 62 M CA 0.868 56.115 55.300 -0.088 0.000 1.119 62 M CB -0.071 32.477 32.600 -0.087 0.000 1.377 62 M HN 0.014 nan 8.290 nan 0.000 0.415 63 L N -1.027 120.149 121.223 -0.079 0.000 2.046 63 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 63 L C 2.556 179.323 176.870 -0.171 0.000 1.077 63 L CA 1.002 55.794 54.840 -0.081 0.000 0.747 63 L CB -0.670 41.367 42.059 -0.036 0.000 0.896 63 L HN 0.215 nan 8.230 nan 0.000 0.432 64 S N -0.322 115.206 115.700 -0.286 0.000 2.370 64 S HA -0.218 4.251 4.470 -0.000 0.000 0.226 64 S C 1.837 176.067 174.600 -0.617 0.000 1.033 64 S CA 1.456 59.298 58.200 -0.597 0.000 1.011 64 S CB -0.242 62.227 63.200 -1.219 0.000 0.852 64 S HN 0.469 nan 8.310 nan 0.000 0.457 65 E N 1.016 120.950 120.200 -0.444 0.000 2.150 65 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 65 E C 2.109 178.655 176.600 -0.090 0.000 0.985 65 E CA 0.832 57.130 56.400 -0.170 0.000 0.814 65 E CB -0.176 29.500 29.700 -0.040 0.000 0.752 65 E HN 0.514 nan 8.360 nan 0.000 0.466 66 A N 0.245 123.004 122.820 -0.100 0.000 2.168 66 A HA 0.141 4.461 4.320 -0.000 0.000 0.215 66 A C 1.841 179.389 177.584 -0.060 0.000 1.152 66 A CA 1.101 53.102 52.037 -0.059 0.000 0.716 66 A CB -0.248 18.724 19.000 -0.048 0.000 0.794 66 A HN 0.369 nan 8.150 nan 0.000 0.465 67 G N -2.084 106.662 108.800 -0.090 0.000 2.179 67 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.220 67 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.220 67 G C -0.043 174.808 174.900 -0.081 0.000 0.990 67 G CA -0.076 44.983 45.100 -0.070 0.000 0.646 67 G HN 0.264 nan 8.290 nan 0.000 0.517 68 L N 2.397 123.560 121.223 -0.100 0.000 2.559 68 L HA 0.219 4.559 4.340 -0.000 0.000 0.274 68 L C 2.096 178.895 176.870 -0.120 0.000 1.205 68 L CA 1.490 56.272 54.840 -0.097 0.000 0.907 68 L CB 0.612 42.615 42.059 -0.094 0.000 1.153 68 L HN 0.568 nan 8.230 nan 0.000 0.490 69 S N 2.516 118.161 115.700 -0.091 0.000 2.522 69 S HA 0.035 4.505 4.470 -0.000 0.000 0.227 69 S C 0.512 175.022 174.600 -0.151 0.000 0.986 69 S CA 0.069 58.211 58.200 -0.096 0.000 0.929 69 S CB 0.284 63.463 63.200 -0.036 0.000 0.769 69 S HN 0.423 nan 8.310 nan 0.000 0.529 70 V N 1.026 120.853 119.914 -0.144 0.000 2.668 70 V HA 0.613 4.733 4.120 -0.000 0.000 0.304 70 V C -1.912 174.097 176.094 -0.141 0.000 1.071 70 V CA -1.097 61.108 62.300 -0.159 0.000 0.894 70 V CB 1.766 33.549 31.823 -0.065 0.000 1.008 70 V HN 0.418 nan 8.190 nan 0.000 0.425 71 I N 5.343 125.809 120.570 -0.174 0.000 2.476 71 I HA 0.421 4.591 4.170 -0.000 0.000 0.281 71 I C -0.010 176.126 176.117 0.030 0.000 1.040 71 I CA -0.447 60.820 61.300 -0.055 0.000 1.094 71 I CB 1.910 39.908 38.000 -0.004 0.000 1.219 71 I HN 0.663 nan 8.210 nan 0.000 0.450 72 E N 4.092 124.301 120.200 0.014 0.000 2.383 72 E HA 0.049 4.399 4.350 -0.000 0.000 0.257 72 E C 0.477 177.113 176.600 0.059 0.000 1.079 72 E CA 0.170 56.589 56.400 0.032 0.000 0.934 72 E CB 0.810 30.498 29.700 -0.020 0.000 0.978 72 E HN 0.597 nan 8.360 nan 0.000 0.462 73 T N 2.483 117.100 114.554 0.106 0.000 2.770 73 T HA -0.013 4.337 4.350 -0.000 0.000 0.258 73 T C 0.703 175.426 174.700 0.039 0.000 1.039 73 T CA 1.088 63.247 62.100 0.099 0.000 1.143 73 T CB 0.190 69.144 68.868 0.145 0.000 0.866 73 T HN 0.544 nan 8.240 nan 0.000 0.428 74 T N -0.543 114.026 114.554 0.026 0.000 2.658 74 T HA 0.467 4.817 4.350 -0.000 0.000 0.305 74 T C -2.055 172.624 174.700 -0.036 0.000 1.551 74 T CA -0.590 61.489 62.100 -0.035 0.000 0.985 74 T CB 1.388 70.191 68.868 -0.108 0.000 1.731 74 T HN 0.043 nan 8.240 nan 0.000 0.486 75 S N 0.312 115.956 115.700 -0.093 0.000 2.561 75 S HA 0.644 5.114 4.470 -0.000 0.000 0.303 75 S C -1.139 173.292 174.600 -0.282 0.000 1.110 75 S CA -0.556 57.611 58.200 -0.055 0.000 1.034 75 S CB 0.389 63.596 63.200 0.013 0.000 1.010 75 S HN 0.497 nan 8.310 nan 0.000 0.482 76 F N 4.307 124.137 119.950 -0.199 0.000 2.733 76 F HA 0.315 4.841 4.527 -0.000 0.000 0.344 76 F C 0.506 176.087 175.800 -0.365 0.000 1.179 76 F CA -0.103 57.557 58.000 -0.567 0.000 1.316 76 F CB 0.493 39.325 39.000 -0.280 0.000 1.577 76 F HN 0.383 nan 8.300 nan 0.000 0.591 77 V N 0.175 119.985 119.914 -0.173 0.000 2.732 77 V HA 0.457 4.577 4.120 -0.000 0.000 0.310 77 V C 0.349 176.458 176.094 0.024 0.000 1.053 77 V CA -0.677 61.657 62.300 0.056 0.000 0.957 77 V CB 1.927 33.865 31.823 0.192 0.000 1.018 77 V HN 0.270 nan 8.190 nan 0.000 0.452 78 S N 5.384 121.069 115.700 -0.025 0.000 2.563 78 S HA 0.145 4.614 4.470 -0.000 0.000 0.294 78 S C -1.573 172.974 174.600 -0.089 0.000 1.279 78 S CA 0.061 58.131 58.200 -0.216 0.000 1.069 78 S CB 0.811 63.495 63.200 -0.860 0.000 0.828 78 S HN 0.769 nan 8.310 nan 0.000 0.497 79 P HA -0.026 nan 4.420 nan 0.000 0.221 79 P C 1.107 178.389 177.300 -0.029 0.000 1.150 79 P CA 0.777 63.878 63.100 0.003 0.000 0.800 79 P CB 0.149 31.840 31.700 -0.015 0.000 0.787 80 K N -1.531 118.780 120.400 -0.149 0.000 2.280 80 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 80 K C 1.541 178.202 176.600 0.101 0.000 1.047 80 K CA 1.066 57.286 56.287 -0.111 0.000 0.942 80 K CB -0.562 31.777 32.500 -0.269 0.000 0.739 80 K HN 0.352 nan 8.250 nan 0.000 0.457 81 W N -0.273 121.056 121.300 0.047 0.000 2.699 81 W HA 0.182 4.842 4.660 -0.000 0.000 0.265 81 W C 0.664 177.204 176.519 0.035 0.000 1.210 81 W CA -0.280 57.090 57.345 0.042 0.000 1.414 81 W CB -0.113 29.381 29.460 0.055 0.000 1.043 81 W HN -0.283 nan 8.180 nan 0.000 0.599 82 V N 4.005 124.069 119.914 0.249 0.000 2.558 82 V HA 0.266 4.386 4.120 -0.000 0.000 0.261 82 V C -1.376 174.775 176.094 0.096 0.000 0.958 82 V CA -1.783 60.606 62.300 0.148 0.000 0.852 82 V CB 1.534 33.440 31.823 0.140 0.000 1.067 82 V HN -0.277 nan 8.190 nan 0.000 0.468 83 P HA -0.219 nan 4.420 nan 0.000 0.217 83 P C 1.151 178.461 177.300 0.017 0.000 1.148 83 P CA 1.445 64.565 63.100 0.033 0.000 0.828 83 P CB 0.440 32.154 31.700 0.023 0.000 0.783 84 Q N -1.029 118.782 119.800 0.018 0.000 2.248 84 Q HA -0.100 4.240 4.340 -0.000 0.000 0.208 84 Q C 1.973 177.973 176.000 0.001 0.000 0.984 84 Q CA 1.539 57.343 55.803 0.003 0.000 0.875 84 Q CB -0.635 28.104 28.738 0.001 0.000 0.910 84 Q HN 0.285 nan 8.270 nan 0.000 0.433 85 M N -1.386 118.229 119.600 0.025 0.000 2.371 85 M HA 0.249 4.729 4.480 -0.000 0.000 0.246 85 M C 1.657 177.999 176.300 0.069 0.000 1.103 85 M CA 0.520 55.843 55.300 0.037 0.000 1.010 85 M CB -0.327 32.306 32.600 0.055 0.000 1.457 85 M HN 0.286 nan 8.290 nan 0.000 0.486 86 G N 2.248 111.059 108.800 0.018 0.000 2.550 86 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.222 86 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.222 86 G C 0.800 175.480 174.900 -0.367 0.000 1.113 86 G CA 1.506 46.555 45.100 -0.084 0.000 0.748 86 G HN 0.611 nan 8.290 nan 0.000 0.585 87 D N 0.305 120.545 120.400 -0.267 0.000 2.325 87 D HA 0.038 4.678 4.640 -0.000 0.000 0.234 87 D C 1.539 177.632 176.300 -0.346 0.000 1.122 87 D CA 0.262 54.085 54.000 -0.295 0.000 0.850 87 D CB -1.019 39.692 40.800 -0.149 0.000 0.921 87 D HN 0.631 nan 8.370 nan 0.000 0.513 88 H N -1.025 117.895 119.070 -0.250 0.000 2.400 88 H HA -0.186 4.370 4.556 -0.000 0.000 0.295 88 H C 1.442 176.500 175.328 -0.450 0.000 1.118 88 H CA 2.046 57.799 56.048 -0.492 0.000 1.256 88 H CB -1.231 27.984 29.762 -0.912 0.000 1.365 88 H HN 0.052 nan 8.280 nan 0.000 0.502 89 T N 1.009 115.435 114.554 -0.212 0.000 2.737 89 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 89 T C 1.738 176.451 174.700 0.022 0.000 1.038 89 T CA 1.394 63.548 62.100 0.090 0.000 1.144 89 T CB -0.079 68.865 68.868 0.126 0.000 0.866 89 T HN 0.511 nan 8.240 nan 0.000 0.434 90 E N 1.271 121.437 120.200 -0.056 0.000 2.110 90 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 90 E C 2.427 179.007 176.600 -0.034 0.000 0.988 90 E CA 0.649 57.025 56.400 -0.040 0.000 0.804 90 E CB -0.907 28.758 29.700 -0.060 0.000 0.745 90 E HN 0.343 nan 8.360 nan 0.000 0.458 91 V N 1.632 121.515 119.914 -0.051 0.000 2.307 91 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 91 V C 2.425 178.505 176.094 -0.024 0.000 1.045 91 V CA 1.413 63.689 62.300 -0.040 0.000 1.024 91 V CB -0.552 31.240 31.823 -0.052 0.000 0.651 91 V HN 0.141 nan 8.190 nan 0.000 0.449 92 L N 0.207 121.436 121.223 0.010 0.000 2.017 92 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 92 L C 2.368 179.243 176.870 0.009 0.000 1.073 92 L CA 2.001 56.870 54.840 0.049 0.000 0.745 92 L CB -0.754 41.427 42.059 0.203 0.000 0.894 92 L HN 0.213 nan 8.230 nan 0.000 0.432 93 K N -0.935 119.481 120.400 0.026 0.000 2.057 93 K HA -0.048 4.271 4.320 -0.000 0.000 0.206 93 K C 1.956 178.540 176.600 -0.026 0.000 1.050 93 K CA 1.116 57.405 56.287 0.002 0.000 0.935 93 K CB -0.627 31.882 32.500 0.015 0.000 0.715 93 K HN 0.530 nan 8.250 nan 0.000 0.439 94 G N 2.190 110.973 108.800 -0.028 0.000 2.443 94 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.219 94 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.219 94 G C 0.874 175.747 174.900 -0.044 0.000 1.131 94 G CA 0.316 45.396 45.100 -0.033 0.000 0.775 94 G HN 0.334 nan 8.290 nan 0.000 0.547 95 I N -1.421 119.105 120.570 -0.073 0.000 2.720 95 I HA 0.373 4.542 4.170 -0.000 0.000 0.287 95 I C -0.123 175.931 176.117 -0.104 0.000 1.090 95 I CA -0.891 60.353 61.300 -0.092 0.000 1.384 95 I CB 0.684 38.581 38.000 -0.172 0.000 1.420 95 I HN -0.029 nan 8.210 nan 0.000 0.575 96 Q N 3.615 123.415 119.800 -0.000 0.000 2.373 96 Q HA 0.238 4.578 4.340 -0.000 0.000 0.255 96 Q C -0.812 175.216 176.000 0.047 0.000 0.980 96 Q CA -0.495 55.327 55.803 0.032 0.000 0.882 96 Q CB 0.775 29.578 28.738 0.109 0.000 1.249 96 Q HN 0.403 nan 8.270 nan 0.000 0.438 97 K N 2.953 123.362 120.400 0.016 0.000 2.356 97 K HA 0.253 4.573 4.320 -0.000 0.000 0.243 97 K C -0.829 175.945 176.600 0.290 0.000 1.072 97 K CA -0.257 56.111 56.287 0.136 0.000 1.014 97 K CB -0.110 32.428 32.500 0.062 0.000 1.523 97 K HN 0.359 nan 8.250 nan 0.000 0.455 98 F N 2.434 122.516 119.950 0.220 0.000 2.553 98 F HA 0.120 4.647 4.527 -0.000 0.000 0.356 98 F C -1.354 174.520 175.800 0.123 0.000 1.142 98 F CA -1.854 56.235 58.000 0.148 0.000 1.322 98 F CB -0.388 38.700 39.000 0.146 0.000 1.126 98 F HN 0.254 nan 8.300 nan 0.000 0.599 99 P HA 0.216 nan 4.420 nan 0.000 0.267 99 P C 0.518 177.896 177.300 0.130 0.000 1.205 99 P CA 0.705 63.883 63.100 0.131 0.000 0.765 99 P CB 0.603 32.349 31.700 0.076 0.000 0.828 100 G N 2.521 111.374 108.800 0.088 0.000 2.162 100 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 100 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 100 G C 0.047 174.956 174.900 0.016 0.000 0.976 100 G CA -0.311 44.819 45.100 0.050 0.000 0.655 100 G HN 0.490 nan 8.290 nan 0.000 0.533 101 I N 0.557 121.137 120.570 0.016 0.000 2.474 101 I HA 0.342 4.512 4.170 -0.000 0.000 0.294 101 I C -0.035 175.892 176.117 -0.317 0.000 1.005 101 I CA -0.843 60.356 61.300 -0.168 0.000 1.113 101 I CB 1.764 39.647 38.000 -0.194 0.000 1.289 101 I HN 0.084 nan 8.210 nan 0.000 0.436 102 N N 4.503 122.947 118.700 -0.426 0.000 2.417 102 N HA 0.483 5.222 4.740 -0.000 0.000 0.300 102 N C -1.574 173.604 175.510 -0.553 0.000 1.102 102 N CA -0.585 52.278 53.050 -0.312 0.000 0.886 102 N CB 1.473 39.888 38.487 -0.119 0.000 1.203 102 N HN 0.430 nan 8.380 nan 0.000 0.496 103 Y N 0.616 120.942 120.300 0.044 0.000 2.584 103 Y HA 0.298 4.847 4.550 -0.000 0.000 0.358 103 Y C -2.231 173.705 175.900 0.061 0.000 1.028 103 Y CA -1.951 56.178 58.100 0.048 0.000 1.148 103 Y CB 0.510 39.003 38.460 0.054 0.000 1.126 103 Y HN 0.358 nan 8.280 nan 0.000 0.658 104 P HA 0.168 nan 4.420 nan 0.000 0.271 104 P C -0.432 176.956 177.300 0.147 0.000 1.218 104 P CA 0.068 63.249 63.100 0.134 0.000 0.780 104 P CB 2.190 33.953 31.700 0.105 0.000 0.901 105 V N 0.256 120.272 119.914 0.169 0.000 2.876 105 V HA 0.464 4.583 4.120 -0.000 0.000 0.312 105 V C -0.414 175.806 176.094 0.210 0.000 1.085 105 V CA -1.348 61.076 62.300 0.206 0.000 0.945 105 V CB 1.562 33.601 31.823 0.360 0.000 1.017 105 V HN 0.150 nan 8.190 nan 0.000 0.428 106 L N 3.672 125.010 121.223 0.193 0.000 2.380 106 L HA 0.617 4.957 4.340 -0.000 0.000 0.273 106 L C 0.918 177.961 176.870 0.288 0.000 1.138 106 L CA 0.799 55.773 54.840 0.222 0.000 0.832 106 L CB 1.291 43.466 42.059 0.193 0.000 1.124 106 L HN 1.069 nan 8.230 nan 0.000 0.454 107 T N -0.192 114.530 114.554 0.280 0.000 3.077 107 T HA 0.361 4.711 4.350 -0.000 0.000 0.359 107 T C -1.943 172.907 174.700 0.250 0.000 1.108 107 T CA -1.290 60.974 62.100 0.274 0.000 1.170 107 T CB 1.346 70.386 68.868 0.287 0.000 1.045 107 T HN 0.441 nan 8.240 nan 0.000 0.505 108 P HA 0.025 nan 4.420 nan 0.000 0.233 108 P C -0.244 177.167 177.300 0.185 0.000 1.167 108 P CA 0.511 63.744 63.100 0.222 0.000 0.770 108 P CB -0.074 31.849 31.700 0.372 0.000 0.837 109 N N -3.021 115.798 118.700 0.198 0.000 3.127 109 N HA 0.048 4.788 4.740 -0.000 0.000 0.239 109 N C 0.208 175.816 175.510 0.164 0.000 1.407 109 N CA -0.812 52.333 53.050 0.159 0.000 0.891 109 N CB -0.088 38.485 38.487 0.144 0.000 1.447 109 N HN -0.334 nan 8.380 nan 0.000 0.507 110 L N 0.668 121.961 121.223 0.117 0.000 2.021 110 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 110 L C 1.886 178.860 176.870 0.172 0.000 1.074 110 L CA 2.026 56.939 54.840 0.122 0.000 0.760 110 L CB -0.531 41.564 42.059 0.059 0.000 0.889 110 L HN 0.768 nan 8.230 nan 0.000 0.433 111 K N -1.192 119.282 120.400 0.123 0.000 2.057 111 K HA -0.120 4.199 4.320 -0.000 0.000 0.207 111 K C 1.966 178.623 176.600 0.095 0.000 1.049 111 K CA 1.171 57.516 56.287 0.098 0.000 0.931 111 K CB -0.618 31.927 32.500 0.075 0.000 0.714 111 K HN 0.578 nan 8.250 nan 0.000 0.440 112 G N 0.560 109.436 108.800 0.127 0.000 2.418 112 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 112 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 112 G C 1.315 176.239 174.900 0.040 0.000 1.158 112 G CA 0.459 45.635 45.100 0.125 0.000 0.771 112 G HN 0.319 nan 8.290 nan 0.000 0.545 113 F N 1.377 121.298 119.950 -0.048 0.000 2.234 113 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 113 F C 2.452 178.152 175.800 -0.166 0.000 1.087 113 F CA 1.598 59.538 58.000 -0.101 0.000 1.340 113 F CB 0.050 39.034 39.000 -0.027 0.000 1.031 113 F HN 0.168 nan 8.300 nan 0.000 0.500 114 E N 0.768 120.986 120.200 0.029 0.000 2.023 114 E HA -0.179 4.170 4.350 -0.000 0.000 0.196 114 E C 2.323 178.763 176.600 -0.267 0.000 1.003 114 E CA 1.700 58.059 56.400 -0.069 0.000 0.809 114 E CB -0.727 28.994 29.700 0.035 0.000 0.755 114 E HN 0.405 nan 8.360 nan 0.000 0.449 115 A N 0.468 123.129 122.820 -0.265 0.000 2.024 115 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 115 A C 2.307 179.370 177.584 -0.867 0.000 1.164 115 A CA 1.979 53.815 52.037 -0.335 0.000 0.643 115 A CB -0.821 18.152 19.000 -0.046 0.000 0.806 115 A HN 0.330 nan 8.150 nan 0.000 0.451 116 A N -0.461 121.593 122.820 -1.277 0.000 1.858 116 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 116 A C 2.230 179.408 177.584 -0.678 0.000 1.190 116 A CA 1.814 53.017 52.037 -1.391 0.000 0.617 116 A CB -1.083 17.351 19.000 -0.943 0.000 0.827 116 A HN 0.395 nan 8.150 nan 0.000 0.443 117 V N 0.046 119.586 119.914 -0.624 0.000 2.255 117 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 117 V C 3.083 179.032 176.094 -0.241 0.000 1.051 117 V CA 2.158 64.219 62.300 -0.398 0.000 1.018 117 V CB -1.348 30.247 31.823 -0.379 0.000 0.641 117 V HN 0.638 nan 8.190 nan 0.000 0.445 118 A N -0.231 122.454 122.820 -0.225 0.000 1.986 118 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 118 A C 2.218 179.761 177.584 -0.069 0.000 1.171 118 A CA 2.183 54.150 52.037 -0.117 0.000 0.640 118 A CB -0.615 18.333 19.000 -0.087 0.000 0.811 118 A HN 0.662 nan 8.150 nan 0.000 0.451 119 A N -2.319 120.450 122.820 -0.084 0.000 2.218 119 A HA 0.427 4.747 4.320 -0.000 0.000 0.209 119 A C 1.720 179.314 177.584 0.017 0.000 1.168 119 A CA 1.178 53.241 52.037 0.045 0.000 0.804 119 A CB -0.661 18.501 19.000 0.271 0.000 0.834 119 A HN 1.910 nan 8.150 nan 0.000 0.482 120 G N -1.882 106.888 108.800 -0.050 0.000 2.134 120 G HA2 0.150 4.110 3.960 -0.000 0.000 0.209 120 G HA3 0.150 4.110 3.960 -0.000 0.000 0.209 120 G C 0.391 175.273 174.900 -0.030 0.000 0.993 120 G CA 0.130 45.208 45.100 -0.036 0.000 0.669 120 G HN 1.522 nan 8.290 nan 0.000 0.519 121 A N -0.197 122.583 122.820 -0.067 0.000 2.498 121 A HA 0.605 4.925 4.320 -0.000 0.000 0.239 121 A C 1.221 178.780 177.584 -0.042 0.000 1.068 121 A CA 1.232 53.248 52.037 -0.036 0.000 0.766 121 A CB 0.301 19.241 19.000 -0.099 0.000 1.003 121 A HN 0.424 nan 8.150 nan 0.000 0.497 122 K N 0.131 120.541 120.400 0.016 0.000 2.391 122 K HA 0.146 4.466 4.320 -0.000 0.000 0.197 122 K C 0.162 176.774 176.600 0.020 0.000 1.087 122 K CA 0.369 56.663 56.287 0.012 0.000 1.012 122 K CB 0.791 33.309 32.500 0.030 0.000 0.925 122 K HN 0.834 nan 8.250 nan 0.000 0.547 123 E N 1.554 121.783 120.200 0.048 0.000 2.290 123 E HA 0.227 4.577 4.350 -0.000 0.000 0.274 123 E C -1.237 175.428 176.600 0.108 0.000 0.889 123 E CA -0.700 55.746 56.400 0.077 0.000 0.760 123 E CB 1.992 31.738 29.700 0.077 0.000 1.206 123 E HN -0.062 nan 8.360 nan 0.000 0.419 124 V N 0.551 120.551 119.914 0.142 0.000 3.096 124 V HA 0.791 4.911 4.120 -0.000 0.000 0.319 124 V C -0.663 175.512 176.094 0.135 0.000 1.103 124 V CA -0.690 61.705 62.300 0.159 0.000 1.016 124 V CB 1.806 33.779 31.823 0.250 0.000 1.090 124 V HN 0.408 nan 8.190 nan 0.000 0.449 125 V N 3.276 123.262 119.914 0.121 0.000 2.525 125 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 125 V C -0.218 175.898 176.094 0.037 0.000 1.034 125 V CA -0.314 62.023 62.300 0.062 0.000 0.863 125 V CB 1.366 33.235 31.823 0.077 0.000 0.999 125 V HN 0.961 nan 8.190 nan 0.000 0.423 126 I N 2.309 122.781 120.570 -0.164 0.000 2.562 126 I HA 0.880 5.050 4.170 -0.000 0.000 0.301 126 I C -0.849 175.077 176.117 -0.319 0.000 1.003 126 I CA -0.642 60.416 61.300 -0.403 0.000 1.127 126 I CB 1.980 39.401 38.000 -0.966 0.000 1.304 126 I HN 0.572 nan 8.210 nan 0.000 0.446 127 F N 2.025 121.921 119.950 -0.090 0.000 2.576 127 F HA 1.005 5.532 4.527 0.000 0.000 0.313 127 F C -0.028 176.098 175.800 0.544 0.000 1.078 127 F CA -0.612 57.505 58.000 0.194 0.000 0.921 127 F CB 1.368 40.536 39.000 0.281 0.000 1.232 127 F HN 0.753 nan 8.300 nan 0.000 0.459 128 G N -0.027 109.225 108.800 0.754 0.000 3.135 128 G HA2 0.855 4.815 3.960 -0.000 0.000 0.278 128 G HA3 0.855 4.815 3.960 -0.000 0.000 0.278 128 G C -2.082 173.103 174.900 0.474 0.000 1.302 128 G CA -0.676 44.772 45.100 0.581 0.000 0.880 128 G HN 1.212 nan 8.290 nan 0.000 0.574 129 A N -2.002 121.023 122.820 0.342 0.000 2.539 129 A HA 0.776 5.096 4.320 -0.000 0.000 0.296 129 A C 0.214 177.900 177.584 0.169 0.000 1.073 129 A CA 0.297 52.464 52.037 0.218 0.000 0.700 129 A CB 1.444 20.619 19.000 0.292 0.000 1.296 129 A HN 1.955 nan 8.150 nan 0.000 0.405 130 A N 0.245 123.107 122.820 0.069 0.000 2.379 130 A HA 0.549 4.869 4.320 -0.000 0.000 0.236 130 A C 0.801 178.417 177.584 0.054 0.000 1.272 130 A CA 0.861 52.932 52.037 0.057 0.000 0.886 130 A CB -0.361 18.642 19.000 0.004 0.000 0.962 130 A HN 1.342 nan 8.150 nan 0.000 0.504 131 S N -0.594 115.160 115.700 0.091 0.000 2.502 131 S HA 0.382 4.852 4.470 -0.000 0.000 0.304 131 S C 0.510 175.221 174.600 0.185 0.000 1.097 131 S CA -0.528 57.750 58.200 0.129 0.000 1.045 131 S CB 0.943 64.238 63.200 0.157 0.000 1.019 131 S HN 0.308 nan 8.310 nan 0.000 0.481 132 E N 3.127 123.408 120.200 0.136 0.000 2.112 132 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 132 E C 1.551 178.219 176.600 0.114 0.000 0.979 132 E CA 0.748 57.215 56.400 0.112 0.000 0.814 132 E CB -0.115 29.626 29.700 0.067 0.000 0.762 132 E HN 0.560 nan 8.360 nan 0.000 0.460 133 L N 0.160 121.461 121.223 0.129 0.000 2.056 133 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 133 L C 2.188 179.117 176.870 0.097 0.000 1.078 133 L CA 1.218 56.106 54.840 0.080 0.000 0.749 133 L CB -0.841 41.283 42.059 0.110 0.000 0.901 133 L HN 0.065 nan 8.230 nan 0.000 0.433 134 F N -0.116 119.932 119.950 0.162 0.000 2.102 134 F HA -0.247 4.279 4.527 -0.000 0.000 0.298 134 F C 2.359 178.249 175.800 0.150 0.000 1.105 134 F CA 2.037 60.192 58.000 0.258 0.000 1.239 134 F CB -0.372 38.785 39.000 0.260 0.000 0.991 134 F HN 0.057 nan 8.300 nan 0.000 0.474 135 T N 0.406 115.157 114.554 0.328 0.000 2.643 135 T HA -0.208 4.142 4.350 -0.000 0.000 0.264 135 T C 1.919 176.648 174.700 0.048 0.000 1.045 135 T CA 1.763 63.987 62.100 0.206 0.000 1.155 135 T CB -0.340 68.642 68.868 0.189 0.000 0.863 135 T HN 0.198 nan 8.240 nan 0.000 0.420 136 K N 0.848 121.259 120.400 0.018 0.000 2.152 136 K HA -0.041 4.279 4.320 -0.000 0.000 0.206 136 K C 2.198 178.736 176.600 -0.103 0.000 1.048 136 K CA 1.004 57.268 56.287 -0.039 0.000 0.933 136 K CB -0.078 32.400 32.500 -0.037 0.000 0.721 136 K HN 0.208 nan 8.250 nan 0.000 0.447 137 K N 0.102 120.398 120.400 -0.173 0.000 2.487 137 K HA -0.001 4.319 4.320 -0.000 0.000 0.192 137 K C 0.848 177.316 176.600 -0.219 0.000 1.027 137 K CA 0.606 56.736 56.287 -0.262 0.000 1.054 137 K CB 0.195 32.387 32.500 -0.513 0.000 0.824 137 K HN 0.146 nan 8.250 nan 0.000 0.510 138 N N -0.554 118.043 118.700 -0.172 0.000 2.557 138 N HA 0.117 4.857 4.740 -0.000 0.000 0.217 138 N C 1.010 176.464 175.510 -0.094 0.000 1.062 138 N CA 0.269 53.237 53.050 -0.136 0.000 0.863 138 N CB 0.693 39.109 38.487 -0.119 0.000 1.390 138 N HN 0.088 nan 8.380 nan 0.000 0.445 139 I N -3.093 117.441 120.570 -0.060 0.000 4.050 139 I HA 0.406 4.576 4.170 -0.000 0.000 0.327 139 I C -0.988 175.090 176.117 -0.064 0.000 1.473 139 I CA -0.263 60.999 61.300 -0.064 0.000 1.124 139 I CB -0.131 37.846 38.000 -0.038 0.000 1.129 139 I HN -0.020 nan 8.210 nan 0.000 0.428 140 N N 2.077 120.738 118.700 -0.065 0.000 2.696 140 N HA -0.180 4.560 4.740 -0.000 0.000 0.256 140 N C -0.366 175.120 175.510 -0.040 0.000 1.031 140 N CA 0.856 53.873 53.050 -0.055 0.000 0.730 140 N CB -0.978 37.475 38.487 -0.058 0.000 0.894 140 N HN 0.845 nan 8.380 nan 0.000 0.544 141 C N -2.325 116.957 119.300 -0.030 0.000 3.253 141 C HA 0.655 5.114 4.460 -0.000 0.000 0.342 141 C C 0.605 175.596 174.990 0.002 0.000 1.306 141 C CA -0.494 58.512 59.018 -0.020 0.000 1.207 141 C CB 0.955 28.675 27.740 -0.034 0.000 1.479 141 C HN 0.424 nan 8.230 nan 0.000 0.469 142 S N 1.053 116.759 115.700 0.010 0.000 2.626 142 S HA 0.483 4.953 4.470 -0.000 0.000 0.257 142 S C 1.092 175.732 174.600 0.068 0.000 1.288 142 S CA -0.218 58.003 58.200 0.035 0.000 0.980 142 S CB 0.224 63.438 63.200 0.023 0.000 0.975 142 S HN 0.803 nan 8.310 nan 0.000 0.577 143 I N 0.455 121.087 120.570 0.104 0.000 2.142 143 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 143 I C 2.896 179.177 176.117 0.272 0.000 1.078 143 I CA 1.972 63.390 61.300 0.197 0.000 1.343 143 I CB -0.602 37.510 38.000 0.186 0.000 1.046 143 I HN 0.781 nan 8.210 nan 0.000 0.405 144 E N 1.446 121.708 120.200 0.103 0.000 2.130 144 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 144 E C 1.937 178.595 176.600 0.097 0.000 0.998 144 E CA 1.676 58.090 56.400 0.023 0.000 0.806 144 E CB -0.073 29.595 29.700 -0.052 0.000 0.738 144 E HN 0.468 nan 8.360 nan 0.000 0.459 145 E N -0.388 119.848 120.200 0.061 0.000 2.072 145 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 145 E C 2.046 178.624 176.600 -0.037 0.000 0.982 145 E CA 1.143 57.549 56.400 0.011 0.000 0.803 145 E CB -0.186 29.506 29.700 -0.014 0.000 0.755 145 E HN 0.389 nan 8.360 nan 0.000 0.453 146 S N 0.512 116.182 115.700 -0.051 0.000 2.493 146 S HA -0.140 4.330 4.470 -0.000 0.000 0.243 146 S C 1.505 175.711 174.600 -0.657 0.000 0.991 146 S CA 0.754 58.767 58.200 -0.311 0.000 0.957 146 S CB -0.426 62.628 63.200 -0.243 0.000 0.756 146 S HN 0.130 nan 8.310 nan 0.000 0.521 147 F N 1.571 121.315 119.950 -0.343 0.000 2.789 147 F HA 0.298 4.825 4.527 -0.000 0.000 0.300 147 F C 2.579 178.271 175.800 -0.179 0.000 1.132 147 F CA -0.027 57.832 58.000 -0.235 0.000 1.404 147 F CB -0.310 38.633 39.000 -0.095 0.000 1.114 147 F HN 0.237 nan 8.300 nan 0.000 0.584 148 Q N 0.056 119.814 119.800 -0.070 0.000 2.083 148 Q HA -0.132 4.208 4.340 -0.000 0.000 0.198 148 Q C 2.205 178.149 176.000 -0.093 0.000 0.969 148 Q CA 1.211 56.986 55.803 -0.048 0.000 0.838 148 Q CB -0.083 28.625 28.738 -0.050 0.000 0.900 148 Q HN 0.363 nan 8.270 nan 0.000 0.436 149 R N -0.129 120.227 120.500 -0.241 0.000 2.105 149 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 149 R C 1.979 178.262 176.300 -0.029 0.000 1.135 149 R CA 1.387 57.369 56.100 -0.197 0.000 0.967 149 R CB -0.300 29.793 30.300 -0.346 0.000 0.861 149 R HN 0.285 nan 8.270 nan 0.000 0.442 150 F N 0.669 120.588 119.950 -0.052 0.000 2.325 150 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 150 F C 2.234 178.018 175.800 -0.026 0.000 1.090 150 F CA 0.005 57.981 58.000 -0.041 0.000 1.392 150 F CB -0.099 38.888 39.000 -0.021 0.000 1.053 150 F HN 0.039 nan 8.300 nan 0.000 0.521 151 D N 0.933 121.433 120.400 0.166 0.000 2.133 151 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 151 D C 2.286 178.599 176.300 0.021 0.000 0.997 151 D CA 1.437 55.491 54.000 0.089 0.000 0.840 151 D CB -0.047 40.788 40.800 0.059 0.000 0.947 151 D HN 0.270 nan 8.370 nan 0.000 0.452 152 A N 0.878 123.698 122.820 -0.001 0.000 1.858 152 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 152 A C 2.453 179.940 177.584 -0.161 0.000 1.190 152 A CA 1.025 53.029 52.037 -0.056 0.000 0.617 152 A CB -0.786 18.191 19.000 -0.038 0.000 0.827 152 A HN 0.240 nan 8.150 nan 0.000 0.443 153 I N -0.284 120.176 120.570 -0.182 0.000 2.091 153 I HA -0.319 3.851 4.170 -0.000 0.000 0.239 153 I C 2.417 178.260 176.117 -0.458 0.000 1.061 153 I CA 1.584 62.611 61.300 -0.455 0.000 1.317 153 I CB -0.506 37.362 38.000 -0.221 0.000 1.031 153 I HN 0.285 nan 8.210 nan 0.000 0.401 154 L N 0.196 121.313 121.223 -0.175 0.000 2.127 154 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 154 L C 2.530 179.340 176.870 -0.100 0.000 1.089 154 L CA 1.155 55.936 54.840 -0.097 0.000 0.757 154 L CB -0.504 41.559 42.059 0.006 0.000 0.899 154 L HN 0.152 nan 8.230 nan 0.000 0.434 155 K N 0.275 120.611 120.400 -0.107 0.000 2.025 155 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 155 K C 2.092 178.641 176.600 -0.085 0.000 1.049 155 K CA 1.521 57.765 56.287 -0.072 0.000 0.933 155 K CB -0.396 32.071 32.500 -0.054 0.000 0.714 155 K HN 0.247 nan 8.250 nan 0.000 0.438 156 A N -0.048 122.662 122.820 -0.184 0.000 2.014 156 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 156 A C 2.208 179.812 177.584 0.034 0.000 1.163 156 A CA 1.542 53.515 52.037 -0.106 0.000 0.652 156 A CB -0.619 18.266 19.000 -0.192 0.000 0.808 156 A HN 0.321 nan 8.150 nan 0.000 0.449 157 A N -0.465 122.303 122.820 -0.087 0.000 1.898 157 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 157 A C 2.077 179.725 177.584 0.105 0.000 1.181 157 A CA 1.599 53.732 52.037 0.161 0.000 0.620 157 A CB -0.516 18.535 19.000 0.085 0.000 0.819 157 A HN 0.577 nan 8.150 nan 0.000 0.442 158 Q N -0.176 119.647 119.800 0.038 0.000 2.170 158 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 158 Q C 2.342 178.364 176.000 0.037 0.000 0.976 158 Q CA 1.675 57.496 55.803 0.031 0.000 0.858 158 Q CB -0.104 28.641 28.738 0.011 0.000 0.907 158 Q HN 0.657 nan 8.270 nan 0.000 0.433 159 S N 0.228 115.955 115.700 0.046 0.000 2.371 159 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 159 S C 1.669 176.304 174.600 0.058 0.000 1.029 159 S CA 0.908 59.136 58.200 0.046 0.000 0.978 159 S CB 0.068 63.296 63.200 0.047 0.000 0.833 159 S HN 0.439 nan 8.310 nan 0.000 0.466 160 A N 0.938 123.813 122.820 0.091 0.000 2.337 160 A HA 0.346 4.666 4.320 -0.000 0.000 0.227 160 A C 0.156 177.774 177.584 0.056 0.000 1.259 160 A CA -0.427 51.655 52.037 0.076 0.000 0.870 160 A CB -0.586 18.474 19.000 0.100 0.000 0.927 160 A HN 0.471 nan 8.150 nan 0.000 0.497 161 N N -0.598 118.133 118.700 0.052 0.000 2.671 161 N HA -0.150 4.590 4.740 -0.000 0.000 0.261 161 N C -0.911 174.620 175.510 0.035 0.000 1.053 161 N CA 0.953 54.022 53.050 0.032 0.000 0.732 161 N CB -1.268 37.227 38.487 0.014 0.000 0.887 161 N HN 0.598 nan 8.380 nan 0.000 0.546 162 I N 0.010 120.621 120.570 0.069 0.000 2.436 162 I HA 0.240 4.409 4.170 -0.000 0.000 0.289 162 I C 0.269 176.435 176.117 0.082 0.000 1.010 162 I CA -0.729 60.619 61.300 0.080 0.000 1.098 162 I CB 1.793 39.882 38.000 0.148 0.000 1.266 162 I HN 0.091 nan 8.210 nan 0.000 0.434 163 S N 4.287 120.005 115.700 0.031 0.000 2.576 163 S HA 0.392 4.862 4.470 -0.000 0.000 0.276 163 S C -0.252 174.437 174.600 0.149 0.000 1.339 163 S CA -0.448 57.766 58.200 0.023 0.000 1.039 163 S CB 1.128 64.215 63.200 -0.187 0.000 0.902 163 S HN 0.322 nan 8.310 nan 0.000 0.516 164 V N 3.826 123.878 119.914 0.230 0.000 2.483 164 V HA 0.471 4.591 4.120 -0.000 0.000 0.297 164 V C 0.062 176.269 176.094 0.188 0.000 1.027 164 V CA -0.800 61.608 62.300 0.180 0.000 0.855 164 V CB 1.546 33.420 31.823 0.085 0.000 0.995 164 V HN 0.764 nan 8.190 nan 0.000 0.424 165 R N 2.486 123.043 120.500 0.096 0.000 2.474 165 R HA 0.727 5.066 4.340 -0.000 0.000 0.295 165 R C 0.155 176.321 176.300 -0.223 0.000 0.980 165 R CA -0.212 55.841 56.100 -0.080 0.000 0.934 165 R CB 1.688 31.979 30.300 -0.014 0.000 1.101 165 R HN 0.907 nan 8.270 nan 0.000 0.469 166 G N 1.875 110.460 108.800 -0.359 0.000 2.400 166 G HA2 0.377 4.336 3.960 -0.000 0.000 0.333 166 G HA3 0.377 4.336 3.960 -0.000 0.000 0.333 166 G C -2.054 172.591 174.900 -0.426 0.000 1.143 166 G CA -0.321 44.345 45.100 -0.722 0.000 0.914 166 G HN 0.556 nan 8.290 nan 0.000 0.480 167 Y N 1.296 121.250 120.300 -0.578 0.000 2.442 167 Y HA 0.562 5.111 4.550 -0.000 0.000 0.344 167 Y C -0.983 174.932 175.900 0.025 0.000 0.976 167 Y CA -0.882 57.122 58.100 -0.159 0.000 1.040 167 Y CB 2.420 40.883 38.460 0.005 0.000 1.228 167 Y HN 0.415 nan 8.280 nan 0.000 0.451 168 V N 6.024 125.693 119.914 -0.407 0.000 2.349 168 V HA 0.336 4.456 4.120 -0.000 0.000 0.284 168 V C -0.450 175.395 176.094 -0.416 0.000 1.014 168 V CA -0.707 61.517 62.300 -0.127 0.000 0.826 168 V CB 1.088 32.923 31.823 0.021 0.000 1.009 168 V HN 0.855 nan 8.190 nan 0.000 0.431 169 S N 2.155 117.739 115.700 -0.193 0.000 2.617 169 S HA 0.377 4.847 4.470 -0.000 0.000 0.269 169 S C 0.593 174.996 174.600 -0.328 0.000 1.292 169 S CA -0.124 57.929 58.200 -0.245 0.000 1.010 169 S CB 0.960 64.107 63.200 -0.088 0.000 0.944 169 S HN 1.165 nan 8.310 nan 0.000 0.536 170 C N -0.090 118.978 119.300 -0.387 0.000 4.549 170 C HA -0.129 4.331 4.460 -0.000 0.000 0.290 170 C C 1.868 176.727 174.990 -0.219 0.000 1.328 170 C CA 0.129 58.944 59.018 -0.340 0.000 2.002 170 C CB -3.012 24.503 27.740 -0.376 0.000 1.238 170 C HN 1.126 nan 8.230 nan 0.000 0.780 171 A N -0.659 122.031 122.820 -0.216 0.000 2.015 171 A HA 0.148 4.468 4.320 -0.000 0.000 0.219 171 A C 1.521 179.024 177.584 -0.134 0.000 1.163 171 A CA 1.715 53.656 52.037 -0.160 0.000 0.646 171 A CB -0.111 18.785 19.000 -0.173 0.000 0.806 171 A HN 0.782 nan 8.150 nan 0.000 0.448 172 L N -1.282 119.850 121.223 -0.151 0.000 3.014 172 L HA 0.454 4.794 4.340 -0.000 0.000 0.263 172 L C 0.585 177.378 176.870 -0.129 0.000 1.207 172 L CA 0.214 54.978 54.840 -0.126 0.000 1.017 172 L CB 0.029 42.014 42.059 -0.123 0.000 1.360 172 L HN 0.461 nan 8.230 nan 0.000 0.560 173 G N -0.290 108.426 108.800 -0.140 0.000 2.307 173 G HA2 0.039 3.999 3.960 -0.000 0.000 0.348 173 G HA3 0.039 3.999 3.960 -0.000 0.000 0.348 173 G C -1.796 173.001 174.900 -0.171 0.000 1.603 173 G CA -0.667 44.351 45.100 -0.136 0.000 0.961 173 G HN -0.052 nan 8.290 nan 0.000 0.686 174 C N 3.797 123.011 119.300 -0.143 0.000 2.417 174 C HA 0.866 5.326 4.460 -0.000 0.000 0.324 174 C C -0.860 174.010 174.990 -0.199 0.000 1.240 174 C CA -1.696 57.226 59.018 -0.161 0.000 1.632 174 C CB 1.670 29.391 27.740 -0.031 0.000 2.241 174 C HN 0.660 nan 8.230 nan 0.000 0.499 175 P HA -0.041 nan 4.420 nan 0.000 0.230 175 P C 0.283 177.309 177.300 -0.458 0.000 1.158 175 P CA 1.493 64.283 63.100 -0.516 0.000 0.769 175 P CB 0.062 31.197 31.700 -0.941 0.000 0.807 176 Y N 0.007 120.325 120.300 0.030 0.000 2.594 176 Y HA 0.225 4.775 4.550 0.000 0.000 0.283 176 Y C 2.459 178.377 175.900 0.031 0.000 1.140 176 Y CA 0.035 58.162 58.100 0.045 0.000 1.261 176 Y CB -0.281 38.222 38.460 0.072 0.000 1.358 176 Y HN -0.137 nan 8.280 nan 0.000 0.513 177 E N 0.399 120.708 120.200 0.180 0.000 2.442 177 E HA 0.189 4.539 4.350 -0.000 0.000 0.195 177 E C 1.322 177.945 176.600 0.038 0.000 1.030 177 E CA 0.490 56.950 56.400 0.099 0.000 0.869 177 E CB 0.198 29.953 29.700 0.091 0.000 0.857 177 E HN 0.529 nan 8.360 nan 0.000 0.505 178 G N 2.114 110.917 108.800 0.005 0.000 2.536 178 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.277 178 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.277 178 G C -0.194 174.680 174.900 -0.044 0.000 1.155 178 G CA -0.103 44.979 45.100 -0.029 0.000 0.960 178 G HN 0.178 nan 8.290 nan 0.000 0.544 179 K N 0.590 120.968 120.400 -0.038 0.000 2.414 179 K HA 0.423 4.743 4.320 -0.000 0.000 0.272 179 K C -0.089 176.490 176.600 -0.035 0.000 0.993 179 K CA 0.169 56.430 56.287 -0.044 0.000 0.964 179 K CB 0.510 32.987 32.500 -0.037 0.000 0.925 179 K HN 0.321 nan 8.250 nan 0.000 0.487 180 I N 1.600 122.143 120.570 -0.045 0.000 2.466 180 I HA 0.034 4.204 4.170 -0.000 0.000 0.289 180 I C 0.243 176.339 176.117 -0.036 0.000 1.026 180 I CA -0.463 60.815 61.300 -0.038 0.000 1.078 180 I CB 1.623 39.590 38.000 -0.054 0.000 1.249 180 I HN 0.560 nan 8.210 nan 0.000 0.429 181 S N 7.846 123.531 115.700 -0.025 0.000 2.525 181 S HA 0.175 4.645 4.470 -0.000 0.000 0.285 181 S C -1.474 173.109 174.600 -0.028 0.000 1.283 181 S CA -0.585 57.600 58.200 -0.025 0.000 1.072 181 S CB 0.770 63.959 63.200 -0.018 0.000 0.867 181 S HN 0.374 nan 8.310 nan 0.000 0.492 182 P HA -0.100 nan 4.420 nan 0.000 0.216 182 P C 1.430 178.714 177.300 -0.028 0.000 1.153 182 P CA 1.753 64.834 63.100 -0.032 0.000 0.858 182 P CB -0.048 31.633 31.700 -0.032 0.000 0.789 183 A N -0.540 122.265 122.820 -0.025 0.000 1.978 183 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 183 A C 2.245 179.816 177.584 -0.022 0.000 1.170 183 A CA 2.070 54.093 52.037 -0.024 0.000 0.636 183 A CB -1.061 17.926 19.000 -0.023 0.000 0.810 183 A HN 0.050 nan 8.150 nan 0.000 0.448 184 K N -0.177 120.212 120.400 -0.019 0.000 2.103 184 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 184 K C 1.630 178.226 176.600 -0.006 0.000 1.052 184 K CA 1.580 57.859 56.287 -0.013 0.000 0.945 184 K CB -0.536 31.960 32.500 -0.007 0.000 0.722 184 K HN 0.225 nan 8.250 nan 0.000 0.443 185 V N 0.764 120.672 119.914 -0.010 0.000 2.358 185 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 185 V C 2.319 178.416 176.094 0.005 0.000 1.047 185 V CA 1.805 64.103 62.300 -0.003 0.000 1.035 185 V CB -0.911 30.896 31.823 -0.027 0.000 0.658 185 V HN 0.411 nan 8.190 nan 0.000 0.452 186 A N -0.294 122.519 122.820 -0.011 0.000 1.940 186 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 186 A C 2.194 179.772 177.584 -0.009 0.000 1.176 186 A CA 1.950 53.978 52.037 -0.015 0.000 0.631 186 A CB -0.433 18.551 19.000 -0.027 0.000 0.814 186 A HN 0.631 nan 8.150 nan 0.000 0.446 187 E N -0.310 119.879 120.200 -0.018 0.000 2.047 187 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 187 E C 2.179 178.748 176.600 -0.052 0.000 0.987 187 E CA 1.686 58.061 56.400 -0.042 0.000 0.799 187 E CB -0.380 29.286 29.700 -0.056 0.000 0.752 187 E HN 0.633 nan 8.360 nan 0.000 0.449 188 V N -0.753 119.156 119.914 -0.008 0.000 2.358 188 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 188 V C 2.157 178.339 176.094 0.147 0.000 1.047 188 V CA 2.031 64.358 62.300 0.045 0.000 1.035 188 V CB -1.100 30.817 31.823 0.157 0.000 0.658 188 V HN 0.113 nan 8.190 nan 0.000 0.452 189 T N 0.390 115.045 114.554 0.167 0.000 2.746 189 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 189 T C 1.887 176.716 174.700 0.215 0.000 1.039 189 T CA 2.133 64.374 62.100 0.236 0.000 1.142 189 T CB -0.361 68.572 68.868 0.108 0.000 0.866 189 T HN 0.502 nan 8.240 nan 0.000 0.444 190 K N 1.472 121.934 120.400 0.104 0.000 2.148 190 K HA -0.007 4.313 4.320 -0.000 0.000 0.204 190 K C 2.088 178.773 176.600 0.141 0.000 1.050 190 K CA 1.291 57.642 56.287 0.106 0.000 0.942 190 K CB -0.208 32.309 32.500 0.030 0.000 0.724 190 K HN 0.072 nan 8.250 nan 0.000 0.446 191 K N -0.352 120.074 120.400 0.043 0.000 2.025 191 K HA 0.033 4.352 4.320 -0.000 0.000 0.207 191 K C 1.805 178.521 176.600 0.194 0.000 1.049 191 K CA 1.516 57.779 56.287 -0.040 0.000 0.933 191 K CB -0.508 31.692 32.500 -0.499 0.000 0.714 191 K HN 0.184 nan 8.250 nan 0.000 0.438 192 F N -0.830 119.330 119.950 0.350 0.000 2.095 192 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 192 F C 2.186 178.097 175.800 0.186 0.000 1.104 192 F CA 1.450 59.616 58.000 0.276 0.000 1.232 192 F CB -0.406 38.709 39.000 0.193 0.000 0.987 192 F HN 0.118 nan 8.300 nan 0.000 0.475 193 Y N 1.005 121.470 120.300 0.275 0.000 2.114 193 Y HA -0.318 4.232 4.550 -0.000 0.000 0.284 193 Y C 2.787 178.758 175.900 0.118 0.000 1.143 193 Y CA 1.800 59.990 58.100 0.150 0.000 1.135 193 Y CB -0.583 37.938 38.460 0.101 0.000 0.980 193 Y HN 0.068 nan 8.280 nan 0.000 0.499 194 S N -0.313 115.513 115.700 0.210 0.000 2.442 194 S HA -0.221 4.249 4.470 -0.000 0.000 0.236 194 S C 1.854 176.476 174.600 0.036 0.000 1.007 194 S CA 1.449 59.699 58.200 0.084 0.000 0.965 194 S CB -0.614 62.648 63.200 0.104 0.000 0.773 194 S HN 0.583 nan 8.310 nan 0.000 0.504 195 M N 0.583 120.241 119.600 0.096 0.000 2.419 195 M HA 0.180 4.660 4.480 -0.000 0.000 0.264 195 M C 1.716 178.051 176.300 0.058 0.000 1.082 195 M CA 1.059 56.420 55.300 0.103 0.000 1.119 195 M CB 0.019 32.741 32.600 0.203 0.000 1.398 195 M HN 0.694 nan 8.290 nan 0.000 0.453 196 G N -0.711 108.097 108.800 0.014 0.000 2.321 196 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.174 196 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.174 196 G C -0.198 174.710 174.900 0.014 0.000 1.008 196 G CA -0.817 44.272 45.100 -0.019 0.000 0.739 196 G HN 0.368 nan 8.290 nan 0.000 0.502 197 C N 2.337 121.663 119.300 0.043 0.000 2.566 197 C HA 0.424 4.884 4.460 -0.000 0.000 0.393 197 C C 1.853 176.862 174.990 0.033 0.000 1.309 197 C CA 0.334 59.382 59.018 0.050 0.000 1.801 197 C CB -1.417 26.340 27.740 0.027 0.000 2.493 197 C HN 0.562 nan 8.230 nan 0.000 0.575 198 Y N 0.996 121.297 120.300 0.002 0.000 2.509 198 Y HA 0.180 4.730 4.550 -0.000 0.000 0.293 198 Y C 0.649 176.615 175.900 0.109 0.000 1.133 198 Y CA 0.611 58.730 58.100 0.031 0.000 1.283 198 Y CB -0.162 38.310 38.460 0.020 0.000 1.001 198 Y HN 0.739 nan 8.280 nan 0.000 0.555 199 E N 0.254 120.013 120.200 -0.734 0.000 2.352 199 E HA 0.543 4.893 4.350 -0.000 0.000 0.280 199 E C -2.142 174.258 176.600 -0.334 0.000 0.930 199 E CA -0.925 55.127 56.400 -0.581 0.000 0.765 199 E CB 1.561 30.666 29.700 -0.991 0.000 1.219 199 E HN 0.136 nan 8.360 nan 0.000 0.434 200 I N 2.238 122.710 120.570 -0.163 0.000 2.466 200 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 200 I C -0.314 175.746 176.117 -0.095 0.000 1.026 200 I CA -0.453 60.771 61.300 -0.126 0.000 1.078 200 I CB 2.006 39.994 38.000 -0.020 0.000 1.249 200 I HN 0.315 nan 8.210 nan 0.000 0.429 201 S N 6.350 122.002 115.700 -0.081 0.000 2.480 201 S HA 0.697 5.167 4.470 -0.000 0.000 0.286 201 S C -0.569 173.908 174.600 -0.206 0.000 1.180 201 S CA -0.547 57.632 58.200 -0.036 0.000 1.075 201 S CB 0.317 63.618 63.200 0.169 0.000 0.996 201 S HN 0.469 nan 8.310 nan 0.000 0.487 202 L N 4.906 126.031 121.223 -0.163 0.000 2.262 202 L HA 0.560 4.899 4.340 -0.000 0.000 0.288 202 L C 0.812 177.531 176.870 -0.252 0.000 1.035 202 L CA -0.704 53.995 54.840 -0.235 0.000 0.820 202 L CB 1.108 43.088 42.059 -0.131 0.000 1.204 202 L HN 0.721 nan 8.230 nan 0.000 0.424 203 G N 0.767 109.296 108.800 -0.452 0.000 2.379 203 G HA2 0.294 4.253 3.960 -0.000 0.000 0.327 203 G HA3 0.294 4.253 3.960 -0.000 0.000 0.327 203 G C -0.986 173.693 174.900 -0.369 0.000 1.145 203 G CA -0.275 44.608 45.100 -0.362 0.000 0.905 203 G HN 0.532 nan 8.290 nan 0.000 0.466 204 D N 1.969 122.122 120.400 -0.411 0.000 2.494 204 D HA 0.182 4.822 4.640 -0.000 0.000 0.217 204 D C 1.642 177.654 176.300 -0.481 0.000 1.153 204 D CA -0.349 53.450 54.000 -0.336 0.000 0.954 204 D CB 0.464 41.126 40.800 -0.230 0.000 1.034 204 D HN 0.167 nan 8.370 nan 0.000 0.518 205 T N 2.869 117.200 114.554 -0.373 0.000 2.737 205 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 205 T C 1.693 176.454 174.700 0.102 0.000 1.040 205 T CA 1.385 63.358 62.100 -0.212 0.000 1.142 205 T CB -0.061 68.696 68.868 -0.184 0.000 0.861 205 T HN 0.675 nan 8.240 nan 0.000 0.456 206 I N -1.983 118.596 120.570 0.016 0.000 4.018 206 I HA 0.510 4.680 4.170 -0.000 0.000 0.337 206 I C 1.472 177.732 176.117 0.238 0.000 1.327 206 I CA 0.013 61.405 61.300 0.153 0.000 1.100 206 I CB -0.326 37.685 38.000 0.018 0.000 1.025 206 I HN 0.244 nan 8.210 nan 0.000 0.396 207 G N 2.682 111.566 108.800 0.140 0.000 2.198 207 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 207 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 207 G C 0.759 175.761 174.900 0.171 0.000 1.025 207 G CA 0.589 45.801 45.100 0.186 0.000 0.769 207 G HN 0.687 nan 8.290 nan 0.000 0.507 208 V N -1.891 117.997 119.914 -0.042 0.000 3.623 208 V HA 0.565 4.685 4.120 -0.000 0.000 0.271 208 V C 1.571 177.541 176.094 -0.207 0.000 1.248 208 V CA 0.818 62.936 62.300 -0.305 0.000 1.156 208 V CB -0.312 31.305 31.823 -0.343 0.000 0.870 208 V HN 1.134 nan 8.190 nan 0.000 0.453 209 G N 1.480 110.210 108.800 -0.117 0.000 2.544 209 G HA2 0.462 4.422 3.960 -0.000 0.000 0.242 209 G HA3 0.462 4.422 3.960 -0.000 0.000 0.242 209 G C 0.035 174.893 174.900 -0.070 0.000 1.247 209 G CA 0.699 45.741 45.100 -0.096 0.000 0.840 209 G HN 0.759 nan 8.290 nan 0.000 0.578 210 T N -0.347 114.168 114.554 -0.064 0.000 2.906 210 T HA 0.603 4.953 4.350 -0.000 0.000 0.295 210 T C -1.611 173.067 174.700 -0.035 0.000 1.061 210 T CA -1.561 60.513 62.100 -0.043 0.000 1.000 210 T CB 2.650 71.489 68.868 -0.048 0.000 1.103 210 T HN 0.263 nan 8.240 nan 0.000 0.486 211 P HA -0.223 nan 4.420 nan 0.000 0.219 211 P C 1.748 179.034 177.300 -0.025 0.000 1.158 211 P CA 2.103 65.191 63.100 -0.020 0.000 0.895 211 P CB -0.602 31.091 31.700 -0.012 0.000 0.792 212 G N 0.117 108.901 108.800 -0.026 0.000 2.418 212 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.217 212 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.217 212 G C 1.583 176.463 174.900 -0.033 0.000 1.158 212 G CA 0.534 45.617 45.100 -0.027 0.000 0.771 212 G HN 0.160 nan 8.290 nan 0.000 0.545 213 I N 0.597 121.142 120.570 -0.041 0.000 2.286 213 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 213 I C 2.581 178.669 176.117 -0.049 0.000 1.115 213 I CA 1.195 62.466 61.300 -0.049 0.000 1.392 213 I CB -0.931 37.032 38.000 -0.062 0.000 1.065 213 I HN 0.231 nan 8.210 nan 0.000 0.418 214 M N 1.251 120.823 119.600 -0.046 0.000 2.117 214 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 214 M C 2.236 178.513 176.300 -0.038 0.000 1.065 214 M CA 1.853 57.127 55.300 -0.045 0.000 1.114 214 M CB -0.612 31.966 32.600 -0.037 0.000 1.361 214 M HN 0.064 nan 8.290 nan 0.000 0.408 215 K N -0.384 119.997 120.400 -0.032 0.000 2.026 215 K HA -0.196 4.123 4.320 -0.000 0.000 0.208 215 K C 1.511 178.093 176.600 -0.030 0.000 1.048 215 K CA 1.956 58.226 56.287 -0.028 0.000 0.929 215 K CB -0.320 32.166 32.500 -0.023 0.000 0.713 215 K HN 0.372 nan 8.250 nan 0.000 0.439 216 D N 0.706 121.087 120.400 -0.032 0.000 2.117 216 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 216 D C 1.876 178.155 176.300 -0.035 0.000 0.987 216 D CA 0.957 54.938 54.000 -0.032 0.000 0.829 216 D CB -0.147 40.634 40.800 -0.032 0.000 0.961 216 D HN 0.272 nan 8.370 nan 0.000 0.460 217 M N 0.618 120.194 119.600 -0.041 0.000 2.067 217 M HA -0.128 4.351 4.480 -0.000 0.000 0.260 217 M C 2.159 178.434 176.300 -0.043 0.000 1.069 217 M CA 1.201 56.474 55.300 -0.045 0.000 1.117 217 M CB -0.568 31.998 32.600 -0.056 0.000 1.334 217 M HN -0.005 nan 8.290 nan 0.000 0.407 218 L N -0.599 120.599 121.223 -0.041 0.000 2.046 218 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 218 L C 2.689 179.536 176.870 -0.037 0.000 1.077 218 L CA 1.424 56.240 54.840 -0.040 0.000 0.747 218 L CB -0.867 41.171 42.059 -0.035 0.000 0.896 218 L HN 0.398 nan 8.230 nan 0.000 0.432 219 S N -0.257 115.423 115.700 -0.033 0.000 2.365 219 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 219 S C 2.097 176.677 174.600 -0.033 0.000 1.039 219 S CA 1.528 59.710 58.200 -0.031 0.000 1.033 219 S CB -0.103 63.081 63.200 -0.027 0.000 0.887 219 S HN 0.467 nan 8.310 nan 0.000 0.447 220 A N 0.522 123.321 122.820 -0.034 0.000 1.898 220 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 220 A C 2.342 179.903 177.584 -0.039 0.000 1.181 220 A CA 1.638 53.655 52.037 -0.034 0.000 0.620 220 A CB -0.963 18.018 19.000 -0.031 0.000 0.819 220 A HN 0.449 nan 8.150 nan 0.000 0.442 221 V N -0.040 119.849 119.914 -0.042 0.000 2.343 221 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 221 V C 2.598 178.651 176.094 -0.067 0.000 1.051 221 V CA 2.236 64.506 62.300 -0.050 0.000 1.036 221 V CB -0.722 31.072 31.823 -0.048 0.000 0.654 221 V HN 0.577 nan 8.190 nan 0.000 0.451 222 M N -0.797 118.767 119.600 -0.061 0.000 2.279 222 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 222 M C 2.306 178.567 176.300 -0.065 0.000 1.062 222 M CA 1.417 56.678 55.300 -0.066 0.000 1.099 222 M CB -0.345 32.226 32.600 -0.049 0.000 1.394 222 M HN 0.354 nan 8.290 nan 0.000 0.426 223 Q N 0.184 119.952 119.800 -0.053 0.000 2.119 223 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 223 Q C 1.683 177.650 176.000 -0.055 0.000 0.972 223 Q CA 1.245 57.021 55.803 -0.045 0.000 0.847 223 Q CB -0.185 28.532 28.738 -0.035 0.000 0.903 223 Q HN 0.597 nan 8.270 nan 0.000 0.433 224 E N -0.151 120.007 120.200 -0.070 0.000 2.251 224 E HA 0.095 4.445 4.350 -0.000 0.000 0.194 224 E C 0.176 176.678 176.600 -0.162 0.000 0.964 224 E CA 0.218 56.569 56.400 -0.082 0.000 0.868 224 E CB 0.981 30.645 29.700 -0.059 0.000 0.828 224 E HN 0.008 nan 8.360 nan 0.000 0.481 225 V N 4.253 124.034 119.914 -0.221 0.000 2.540 225 V HA 0.235 4.355 4.120 -0.000 0.000 0.302 225 V C -2.393 173.507 176.094 -0.324 0.000 1.035 225 V CA -2.118 59.919 62.300 -0.439 0.000 0.873 225 V CB 1.913 33.486 31.823 -0.416 0.000 0.992 225 V HN -0.000 nan 8.190 nan 0.000 0.428 226 P HA -0.023 nan 4.420 nan 0.000 0.264 226 P C 0.791 178.025 177.300 -0.110 0.000 1.183 226 P CA -0.078 62.928 63.100 -0.156 0.000 0.763 226 P CB 1.025 32.679 31.700 -0.077 0.000 0.807 227 L N 4.613 125.799 121.223 -0.062 0.000 2.021 227 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 227 L C 2.413 179.270 176.870 -0.022 0.000 1.074 227 L CA 2.631 57.447 54.840 -0.041 0.000 0.760 227 L CB -1.711 40.333 42.059 -0.024 0.000 0.889 227 L HN 0.515 nan 8.230 nan 0.000 0.433 228 A N -1.179 121.641 122.820 0.001 0.000 2.121 228 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 228 A C 2.164 179.766 177.584 0.029 0.000 1.154 228 A CA 1.229 53.281 52.037 0.024 0.000 0.679 228 A CB -0.872 18.156 19.000 0.045 0.000 0.795 228 A HN 0.532 nan 8.150 nan 0.000 0.458 229 A N -0.978 121.853 122.820 0.019 0.000 2.278 229 A HA 0.469 4.788 4.320 -0.000 0.000 0.212 229 A C 0.399 177.960 177.584 -0.038 0.000 1.213 229 A CA 0.076 52.126 52.037 0.021 0.000 0.840 229 A CB -0.154 18.915 19.000 0.115 0.000 0.866 229 A HN 0.286 nan 8.150 nan 0.000 0.489 230 L N -0.382 120.817 121.223 -0.040 0.000 2.334 230 L HA 0.783 5.123 4.340 -0.000 0.000 0.275 230 L C 0.248 177.097 176.870 -0.035 0.000 1.036 230 L CA -0.182 54.630 54.840 -0.047 0.000 0.807 230 L CB 1.027 43.057 42.059 -0.049 0.000 1.231 230 L HN 0.222 nan 8.230 nan 0.000 0.438 231 A N 2.454 125.253 122.820 -0.035 0.000 2.498 231 A HA 0.802 5.122 4.320 -0.000 0.000 0.298 231 A C -1.375 176.208 177.584 -0.001 0.000 1.075 231 A CA -0.476 51.554 52.037 -0.012 0.000 0.714 231 A CB 2.040 21.035 19.000 -0.009 0.000 1.299 231 A HN 0.369 nan 8.150 nan 0.000 0.407 232 V N 1.449 121.379 119.914 0.025 0.000 2.680 232 V HA 0.602 4.722 4.120 -0.000 0.000 0.309 232 V C -1.169 174.999 176.094 0.124 0.000 1.052 232 V CA -0.330 61.991 62.300 0.036 0.000 0.908 232 V CB 1.892 33.723 31.823 0.013 0.000 1.001 232 V HN 1.021 nan 8.190 nan 0.000 0.431 233 H N 4.079 123.145 119.070 -0.007 0.000 2.974 233 H HA 0.474 5.030 4.556 -0.000 0.000 0.285 233 H C -1.032 174.279 175.328 -0.029 0.000 1.227 233 H CA -0.771 55.299 56.048 0.037 0.000 1.569 233 H CB 0.510 30.363 29.762 0.152 0.000 1.648 233 H HN 0.633 nan 8.280 nan 0.000 0.521 234 C N 4.499 123.804 119.300 0.009 0.000 2.319 234 C HA 0.402 4.862 4.460 -0.000 0.000 0.335 234 C C 0.460 175.467 174.990 0.029 0.000 1.274 234 C CA -0.618 58.347 59.018 -0.089 0.000 1.806 234 C CB -0.408 27.329 27.740 -0.006 0.000 2.329 234 C HN 0.844 nan 8.230 nan 0.000 0.524 235 H N 0.474 119.497 119.070 -0.078 0.000 2.511 235 H HA 0.133 4.689 4.556 -0.000 0.000 0.346 235 H C -0.068 175.276 175.328 0.027 0.000 1.128 235 H CA -0.210 55.828 56.048 -0.017 0.000 1.342 235 H CB 1.209 30.960 29.762 -0.019 0.000 1.470 235 H HN 0.623 nan 8.280 nan 0.000 0.546 236 D N 0.960 121.453 120.400 0.155 0.000 2.427 236 D HA 0.026 4.666 4.640 -0.000 0.000 0.224 236 D C 0.997 177.331 176.300 0.056 0.000 1.157 236 D CA 0.039 54.096 54.000 0.095 0.000 0.828 236 D CB 0.183 41.019 40.800 0.060 0.000 0.974 236 D HN 0.539 nan 8.370 nan 0.000 0.498 237 T N -0.552 114.042 114.554 0.066 0.000 2.737 237 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 237 T C 0.951 175.502 174.700 -0.247 0.000 1.040 237 T CA 1.302 63.353 62.100 -0.082 0.000 1.142 237 T CB -0.256 68.587 68.868 -0.042 0.000 0.861 237 T HN 0.355 nan 8.240 nan 0.000 0.456 238 Y N 0.164 120.477 120.300 0.023 0.000 2.584 238 Y HA 0.457 5.006 4.550 -0.000 0.000 0.254 238 Y C 1.631 177.537 175.900 0.010 0.000 1.177 238 Y CA -0.439 57.668 58.100 0.012 0.000 1.216 238 Y CB 0.285 38.749 38.460 0.007 0.000 1.172 238 Y HN 0.284 nan 8.280 nan 0.000 0.529 239 G N 0.495 109.355 108.800 0.100 0.000 2.176 239 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 239 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 239 G C 0.779 175.724 174.900 0.075 0.000 1.024 239 G CA 0.422 45.562 45.100 0.068 0.000 0.755 239 G HN 0.356 nan 8.290 nan 0.000 0.507 240 Q N -1.175 118.680 119.800 0.093 0.000 2.217 240 Q HA 0.473 4.813 4.340 -0.000 0.000 0.217 240 Q C 2.504 178.535 176.000 0.051 0.000 0.844 240 Q CA 0.824 56.666 55.803 0.065 0.000 0.957 240 Q CB 0.231 29.004 28.738 0.058 0.000 1.127 240 Q HN 0.768 nan 8.270 nan 0.000 0.503 241 A N 1.366 124.224 122.820 0.063 0.000 1.873 241 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 241 A C 2.047 179.661 177.584 0.049 0.000 1.193 241 A CA 1.514 53.586 52.037 0.059 0.000 0.629 241 A CB -0.550 18.500 19.000 0.083 0.000 0.826 241 A HN 0.311 nan 8.150 nan 0.000 0.447 242 L N -0.707 120.545 121.223 0.048 0.000 2.109 242 L HA 0.056 4.396 4.340 -0.000 0.000 0.207 242 L C 2.665 179.556 176.870 0.035 0.000 1.086 242 L CA 1.923 56.790 54.840 0.045 0.000 0.760 242 L CB -0.627 41.461 42.059 0.048 0.000 0.910 242 L HN 0.347 nan 8.230 nan 0.000 0.437 243 A N -0.621 122.218 122.820 0.030 0.000 1.898 243 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 243 A C 2.086 179.679 177.584 0.014 0.000 1.181 243 A CA 1.872 53.922 52.037 0.022 0.000 0.620 243 A CB -0.841 18.171 19.000 0.020 0.000 0.819 243 A HN 0.644 nan 8.150 nan 0.000 0.442 244 N N -0.775 117.932 118.700 0.012 0.000 2.142 244 N HA -0.111 4.628 4.740 -0.000 0.000 0.186 244 N C 1.615 177.127 175.510 0.003 0.000 1.023 244 N CA 1.607 54.657 53.050 0.000 0.000 0.852 244 N CB -0.233 38.249 38.487 -0.007 0.000 0.998 244 N HN 0.407 nan 8.380 nan 0.000 0.424 245 T N 1.877 116.440 114.554 0.015 0.000 2.746 245 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 245 T C 1.867 176.576 174.700 0.015 0.000 1.039 245 T CA 0.577 62.689 62.100 0.020 0.000 1.142 245 T CB -0.230 68.659 68.868 0.035 0.000 0.866 245 T HN 0.202 nan 8.240 nan 0.000 0.444 246 L N 0.280 121.513 121.223 0.016 0.000 2.012 246 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 246 L C 2.522 179.396 176.870 0.006 0.000 1.073 246 L CA 1.753 56.601 54.840 0.013 0.000 0.748 246 L CB -0.355 41.714 42.059 0.016 0.000 0.891 246 L HN 0.313 nan 8.230 nan 0.000 0.431 247 M N 0.086 119.687 119.600 0.002 0.000 2.108 247 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 247 M C 2.207 178.503 176.300 -0.006 0.000 1.066 247 M CA 2.220 57.518 55.300 -0.004 0.000 1.107 247 M CB -0.565 32.030 32.600 -0.009 0.000 1.356 247 M HN 0.289 nan 8.290 nan 0.000 0.406 248 A N -0.110 122.706 122.820 -0.006 0.000 1.908 248 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 248 A C 2.187 179.769 177.584 -0.004 0.000 1.181 248 A CA 1.899 53.932 52.037 -0.008 0.000 0.627 248 A CB -1.158 17.839 19.000 -0.006 0.000 0.818 248 A HN 0.595 nan 8.150 nan 0.000 0.445 249 L N -0.959 120.265 121.223 0.002 0.000 2.083 249 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 249 L C 2.746 179.617 176.870 0.001 0.000 1.083 249 L CA 1.474 56.316 54.840 0.004 0.000 0.752 249 L CB -0.551 41.513 42.059 0.008 0.000 0.899 249 L HN 0.492 nan 8.230 nan 0.000 0.433 250 Q N -0.845 118.955 119.800 -0.000 0.000 2.369 250 Q HA -0.074 4.266 4.340 -0.000 0.000 0.206 250 Q C 1.937 177.934 176.000 -0.005 0.000 0.963 250 Q CA 0.825 56.627 55.803 -0.002 0.000 0.894 250 Q CB 0.108 28.845 28.738 -0.002 0.000 0.965 250 Q HN 0.514 nan 8.270 nan 0.000 0.475 251 M N -1.546 118.050 119.600 -0.007 0.000 2.502 251 M HA 0.145 4.625 4.480 -0.000 0.000 0.243 251 M C 0.870 177.164 176.300 -0.010 0.000 1.130 251 M CA 0.800 56.094 55.300 -0.011 0.000 1.055 251 M CB 0.871 33.462 32.600 -0.015 0.000 1.457 251 M HN 0.398 nan 8.290 nan 0.000 0.488 252 G N 0.806 109.602 108.800 -0.006 0.000 2.163 252 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.213 252 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.213 252 G C 0.074 174.973 174.900 -0.003 0.000 0.991 252 G CA -0.227 44.871 45.100 -0.004 0.000 0.653 252 G HN 0.284 nan 8.290 nan 0.000 0.518 253 V N 1.708 121.619 119.914 -0.004 0.000 2.637 253 V HA 0.465 4.585 4.120 -0.000 0.000 0.296 253 V C 1.440 177.538 176.094 0.006 0.000 1.046 253 V CA 1.138 63.436 62.300 -0.003 0.000 1.066 253 V CB 1.557 33.377 31.823 -0.005 0.000 0.968 253 V HN 1.005 nan 8.190 nan 0.000 0.483 254 S N 2.391 118.097 115.700 0.011 0.000 2.749 254 S HA 0.354 4.823 4.470 -0.000 0.000 0.246 254 S C -0.252 174.362 174.600 0.023 0.000 1.023 254 S CA 0.020 58.232 58.200 0.019 0.000 1.012 254 S CB 0.742 63.957 63.200 0.026 0.000 0.942 254 S HN 1.032 nan 8.310 nan 0.000 0.531 255 V N -0.186 119.738 119.914 0.018 0.000 2.711 255 V HA 0.893 5.013 4.120 -0.000 0.000 0.304 255 V C -1.059 175.047 176.094 0.019 0.000 1.097 255 V CA -0.333 61.979 62.300 0.019 0.000 0.906 255 V CB 1.591 33.426 31.823 0.020 0.000 1.015 255 V HN 0.617 nan 8.190 nan 0.000 0.427 256 V N 3.574 123.502 119.914 0.022 0.000 2.841 256 V HA 0.776 4.896 4.120 -0.000 0.000 0.310 256 V C -1.144 174.970 176.094 0.032 0.000 1.090 256 V CA -0.349 61.973 62.300 0.037 0.000 0.930 256 V CB 2.252 34.100 31.823 0.042 0.000 1.014 256 V HN 0.969 nan 8.190 nan 0.000 0.425 257 D N 3.725 124.155 120.400 0.050 0.000 2.210 257 D HA 0.769 5.409 4.640 -0.000 0.000 0.249 257 D C -0.124 176.206 176.300 0.051 0.000 1.062 257 D CA 0.337 54.331 54.000 -0.011 0.000 0.891 257 D CB 1.708 42.407 40.800 -0.167 0.000 1.186 257 D HN 1.112 nan 8.370 nan 0.000 0.432 258 S N -0.561 115.144 115.700 0.008 0.000 2.552 258 S HA 0.541 5.010 4.470 -0.000 0.000 0.272 258 S C -0.973 173.639 174.600 0.020 0.000 1.150 258 S CA -1.034 57.201 58.200 0.057 0.000 0.849 258 S CB 1.654 64.888 63.200 0.057 0.000 1.113 258 S HN 0.181 nan 8.310 nan 0.000 0.458 259 S N 1.354 117.080 115.700 0.042 0.000 2.454 259 S HA 0.549 5.019 4.470 -0.000 0.000 0.306 259 S C 1.351 175.961 174.600 0.017 0.000 1.100 259 S CA -0.364 57.848 58.200 0.019 0.000 1.087 259 S CB 0.498 63.713 63.200 0.025 0.000 1.019 259 S HN 1.107 nan 8.310 nan 0.000 0.480 260 V N 4.663 124.583 119.914 0.010 0.000 2.300 260 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 260 V C 2.079 178.181 176.094 0.013 0.000 1.018 260 V CA 2.490 64.797 62.300 0.013 0.000 1.089 260 V CB -1.482 30.352 31.823 0.018 0.000 0.741 260 V HN 1.062 nan 8.190 nan 0.000 0.500 261 A N -0.301 122.524 122.820 0.008 0.000 2.684 261 A HA 0.548 4.868 4.320 -0.000 0.000 0.288 261 A C 1.467 179.049 177.584 -0.003 0.000 1.337 261 A CA 0.811 52.849 52.037 0.002 0.000 0.946 261 A CB -0.278 18.720 19.000 -0.004 0.000 1.093 261 A HN 2.062 nan 8.150 nan 0.000 0.543 262 G N -0.452 108.350 108.800 0.004 0.000 2.136 262 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.242 262 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.242 262 G C 0.186 175.080 174.900 -0.011 0.000 0.989 262 G CA 0.170 45.271 45.100 0.002 0.000 0.682 262 G HN 0.513 nan 8.290 nan 0.000 0.522 263 L N -0.007 121.209 121.223 -0.012 0.000 2.503 263 L HA 0.405 4.745 4.340 -0.000 0.000 0.287 263 L C 1.454 178.305 176.870 -0.031 0.000 1.252 263 L CA 1.122 55.948 54.840 -0.023 0.000 0.835 263 L CB 0.093 42.141 42.059 -0.019 0.000 1.099 263 L HN 1.401 nan 8.230 nan 0.000 0.516 264 G N 1.462 110.235 108.800 -0.046 0.000 3.421 264 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.656 264 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.656 264 G C 0.067 174.906 174.900 -0.102 0.000 1.007 264 G CA -0.396 44.665 45.100 -0.064 0.000 0.811 264 G HN 1.078 nan 8.290 nan 0.000 0.433 265 G N -0.286 108.457 108.800 -0.095 0.000 2.494 265 G HA2 0.576 4.536 3.960 -0.000 0.000 0.270 265 G HA3 0.576 4.536 3.960 -0.000 0.000 0.270 265 G C 0.438 175.259 174.900 -0.131 0.000 1.423 265 G CA 0.250 45.286 45.100 -0.106 0.000 1.055 265 G HN 1.833 nan 8.290 nan 0.000 0.536 266 C N 0.214 119.457 119.300 -0.094 0.000 2.319 266 C HA 0.622 5.082 4.460 -0.000 0.000 0.323 266 C C -1.182 173.770 174.990 -0.063 0.000 1.277 266 C CA -1.510 57.483 59.018 -0.042 0.000 1.517 266 C CB 1.151 28.905 27.740 0.022 0.000 2.206 266 C HN 0.474 nan 8.230 nan 0.000 0.486 267 P HA -0.035 nan 4.420 nan 0.000 0.220 267 P C 0.036 177.076 177.300 -0.433 0.000 1.148 267 P CA 1.404 64.282 63.100 -0.370 0.000 0.803 267 P CB -0.015 31.330 31.700 -0.593 0.000 0.782 268 Y N -1.549 118.772 120.300 0.036 0.000 2.468 268 Y HA 0.529 5.079 4.550 -0.000 0.000 0.268 268 Y C 0.767 176.679 175.900 0.021 0.000 1.177 268 Y CA -0.473 57.644 58.100 0.029 0.000 1.265 268 Y CB -0.091 38.383 38.460 0.023 0.000 1.103 268 Y HN -0.181 nan 8.280 nan 0.000 0.522 269 A N 0.287 123.162 122.820 0.092 0.000 2.855 269 A HA 0.459 4.778 4.320 -0.000 0.000 0.313 269 A C -0.777 176.794 177.584 -0.021 0.000 1.173 269 A CA -1.002 51.055 52.037 0.033 0.000 0.753 269 A CB -0.069 18.933 19.000 0.003 0.000 1.200 269 A HN 0.208 nan 8.150 nan 0.000 0.442 270 Q N 0.777 120.567 119.800 -0.018 0.000 3.700 270 Q HA 0.124 4.464 4.340 -0.000 0.000 0.401 270 Q C 1.283 177.257 176.000 -0.044 0.000 1.030 270 Q CA 1.438 57.223 55.803 -0.030 0.000 1.246 270 Q CB -0.489 28.237 28.738 -0.021 0.000 1.132 270 Q HN 1.719 nan 8.270 nan 0.000 0.504 271 G N 1.391 110.163 108.800 -0.047 0.000 2.458 271 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.300 271 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.300 271 G C 0.182 175.046 174.900 -0.059 0.000 0.870 271 G CA 0.436 45.506 45.100 -0.051 0.000 0.987 271 G HN 0.993 nan 8.290 nan 0.000 0.503 272 A N -0.411 122.367 122.820 -0.071 0.000 2.288 272 A HA 0.883 5.203 4.320 -0.000 0.000 0.328 272 A C 0.863 178.396 177.584 -0.086 0.000 1.123 272 A CA 0.223 52.206 52.037 -0.090 0.000 0.861 272 A CB 0.874 19.796 19.000 -0.130 0.000 1.272 272 A HN 0.839 nan 8.150 nan 0.000 0.490 273 S N -0.765 114.883 115.700 -0.086 0.000 2.550 273 S HA 0.333 4.803 4.470 -0.000 0.000 0.285 273 S C 1.089 175.639 174.600 -0.084 0.000 1.326 273 S CA 0.344 58.502 58.200 -0.071 0.000 1.037 273 S CB 0.750 63.918 63.200 -0.053 0.000 0.838 273 S HN 1.130 nan 8.310 nan 0.000 0.519 274 G N 2.110 110.852 108.800 -0.097 0.000 2.667 274 G HA2 0.209 4.168 3.960 -0.000 0.000 0.209 274 G HA3 0.209 4.168 3.960 -0.000 0.000 0.209 274 G C -0.111 174.687 174.900 -0.171 0.000 1.963 274 G CA -0.420 44.559 45.100 -0.202 0.000 0.728 274 G HN 0.589 nan 8.290 nan 0.000 0.807 275 N N 0.551 119.186 118.700 -0.107 0.000 2.415 275 N HA 0.183 4.923 4.740 -0.000 0.000 0.248 275 N C -0.356 175.217 175.510 0.106 0.000 1.271 275 N CA -0.380 52.730 53.050 0.100 0.000 0.913 275 N CB 1.623 40.196 38.487 0.144 0.000 1.129 275 N HN 0.239 nan 8.380 nan 0.000 0.444 276 L N 1.251 122.572 121.223 0.165 0.000 2.410 276 L HA 0.267 4.607 4.340 -0.000 0.000 0.273 276 L C 0.081 176.998 176.870 0.079 0.000 1.152 276 L CA -0.356 54.551 54.840 0.112 0.000 0.855 276 L CB 0.060 42.196 42.059 0.128 0.000 1.129 276 L HN 0.568 nan 8.230 nan 0.000 0.463 277 A N 3.757 126.608 122.820 0.050 0.000 2.451 277 A HA 0.299 4.619 4.320 -0.000 0.000 0.266 277 A C 1.237 178.844 177.584 0.038 0.000 1.119 277 A CA 0.310 52.368 52.037 0.034 0.000 0.786 277 A CB -0.210 18.800 19.000 0.018 0.000 1.061 277 A HN 0.959 nan 8.150 nan 0.000 0.503 278 T N 2.360 116.933 114.554 0.033 0.000 2.849 278 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 278 T C 1.542 176.262 174.700 0.033 0.000 1.066 278 T CA 2.236 64.353 62.100 0.029 0.000 1.130 278 T CB -0.131 68.746 68.868 0.015 0.000 0.864 278 T HN 0.811 nan 8.240 nan 0.000 0.481 279 E N 1.330 121.549 120.200 0.033 0.000 2.047 279 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 279 E C 2.068 178.713 176.600 0.074 0.000 0.987 279 E CA 1.116 57.543 56.400 0.045 0.000 0.799 279 E CB -0.314 29.402 29.700 0.027 0.000 0.752 279 E HN 0.403 nan 8.360 nan 0.000 0.449 280 D N -0.000 120.431 120.400 0.052 0.000 2.149 280 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 280 D C 1.787 178.156 176.300 0.115 0.000 0.990 280 D CA 0.555 54.595 54.000 0.066 0.000 0.839 280 D CB -0.189 40.627 40.800 0.027 0.000 0.948 280 D HN 0.074 nan 8.370 nan 0.000 0.460 281 L N 0.744 122.015 121.223 0.081 0.000 2.044 281 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 281 L C 2.248 179.157 176.870 0.066 0.000 1.075 281 L CA 1.232 56.114 54.840 0.070 0.000 0.747 281 L CB -0.652 41.437 42.059 0.050 0.000 0.903 281 L HN 0.092 nan 8.230 nan 0.000 0.435 282 V N -2.364 117.586 119.914 0.060 0.000 2.490 282 V HA -0.290 3.830 4.120 -0.000 0.000 0.250 282 V C 2.403 178.526 176.094 0.049 0.000 1.061 282 V CA 1.845 64.165 62.300 0.033 0.000 1.064 282 V CB -1.800 30.035 31.823 0.020 0.000 0.670 282 V HN 0.570 nan 8.190 nan 0.000 0.461 283 Y N 0.914 121.209 120.300 -0.008 0.000 2.097 283 Y HA -0.260 4.290 4.550 0.000 0.000 0.282 283 Y C 2.742 178.640 175.900 -0.003 0.000 1.152 283 Y CA 2.792 60.889 58.100 -0.005 0.000 1.136 283 Y CB -0.250 38.210 38.460 -0.001 0.000 0.975 283 Y HN 0.241 nan 8.280 nan 0.000 0.498 284 M N -0.554 119.119 119.600 0.121 0.000 2.108 284 M HA -0.234 4.245 4.480 -0.000 0.000 0.261 284 M C 1.888 178.161 176.300 -0.045 0.000 1.066 284 M CA 1.892 57.213 55.300 0.036 0.000 1.107 284 M CB -0.307 32.344 32.600 0.085 0.000 1.356 284 M HN 0.435 nan 8.290 nan 0.000 0.406 285 L N -0.195 121.010 121.223 -0.031 0.000 2.093 285 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 285 L C 2.269 179.095 176.870 -0.073 0.000 1.085 285 L CA 1.327 56.142 54.840 -0.041 0.000 0.755 285 L CB -0.707 41.333 42.059 -0.030 0.000 0.904 285 L HN 0.381 nan 8.230 nan 0.000 0.435 286 E N 0.105 120.235 120.200 -0.116 0.000 2.047 286 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 286 E C 2.258 178.768 176.600 -0.151 0.000 0.987 286 E CA 1.034 57.355 56.400 -0.132 0.000 0.799 286 E CB -0.343 29.259 29.700 -0.163 0.000 0.752 286 E HN 0.536 nan 8.360 nan 0.000 0.449 287 G N 1.270 109.932 108.800 -0.230 0.000 2.469 287 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.220 287 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.220 287 G C 1.357 176.198 174.900 -0.097 0.000 1.136 287 G CA 0.605 45.590 45.100 -0.191 0.000 0.759 287 G HN 0.072 nan 8.290 nan 0.000 0.562 288 L N 0.843 122.022 121.223 -0.073 0.000 2.599 288 L HA 0.295 4.635 4.340 -0.000 0.000 0.230 288 L C 2.080 178.933 176.870 -0.028 0.000 1.141 288 L CA 0.516 55.334 54.840 -0.038 0.000 0.877 288 L CB -0.667 41.378 42.059 -0.023 0.000 1.009 288 L HN 0.413 nan 8.230 nan 0.000 0.447 289 G N 0.210 108.988 108.800 -0.036 0.000 2.198 289 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 289 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 289 G C 0.312 175.214 174.900 0.004 0.000 1.042 289 G CA 0.130 45.220 45.100 -0.017 0.000 0.791 289 G HN 0.323 nan 8.290 nan 0.000 0.502 290 I N 0.657 121.226 120.570 -0.002 0.000 2.315 290 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 290 I C 0.893 177.027 176.117 0.029 0.000 1.006 290 I CA -1.165 60.147 61.300 0.020 0.000 1.265 290 I CB 0.963 38.967 38.000 0.006 0.000 1.387 290 I HN 0.313 nan 8.210 nan 0.000 0.475 291 H N 4.972 124.035 119.070 -0.011 0.000 2.897 291 H HA 0.073 4.629 4.556 -0.000 0.000 0.347 291 H C 0.813 176.137 175.328 -0.006 0.000 1.068 291 H CA 0.888 56.931 56.048 -0.009 0.000 1.426 291 H CB 0.961 30.720 29.762 -0.005 0.000 1.410 291 H HN 0.729 nan 8.280 nan 0.000 0.597 292 T N 0.019 114.096 114.554 -0.794 0.000 3.029 292 T HA 0.186 4.536 4.350 -0.000 0.000 0.256 292 T C 1.499 175.825 174.700 -0.623 0.000 0.914 292 T CA 0.289 62.086 62.100 -0.506 0.000 0.880 292 T CB -0.349 68.377 68.868 -0.237 0.000 1.246 292 T HN 1.016 nan 8.240 nan 0.000 0.523 293 G N 1.408 109.685 108.800 -0.871 0.000 2.225 293 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.267 293 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.267 293 G C -0.033 174.787 174.900 -0.134 0.000 1.024 293 G CA 0.311 45.224 45.100 -0.312 0.000 0.784 293 G HN 0.913 nan 8.290 nan 0.000 0.507 294 V N 0.386 120.214 119.914 -0.144 0.000 2.581 294 V HA 0.498 4.618 4.120 -0.000 0.000 0.303 294 V C 0.299 176.363 176.094 -0.051 0.000 1.041 294 V CA -1.248 61.004 62.300 -0.080 0.000 0.907 294 V CB 1.991 33.768 31.823 -0.076 0.000 0.994 294 V HN 0.376 nan 8.190 nan 0.000 0.442 295 N N 3.246 121.928 118.700 -0.030 0.000 2.462 295 N HA 0.113 4.853 4.740 -0.000 0.000 0.242 295 N C 0.733 176.241 175.510 -0.005 0.000 1.010 295 N CA -0.456 52.586 53.050 -0.013 0.000 0.939 295 N CB 1.457 39.942 38.487 -0.004 0.000 1.127 295 N HN 0.657 nan 8.380 nan 0.000 0.509 296 L N 4.901 126.126 121.223 0.004 0.000 2.013 296 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 296 L C 2.282 179.166 176.870 0.023 0.000 1.073 296 L CA 1.908 56.760 54.840 0.021 0.000 0.753 296 L CB -0.448 41.637 42.059 0.044 0.000 0.890 296 L HN 0.612 nan 8.230 nan 0.000 0.432 297 Q N 0.045 119.858 119.800 0.022 0.000 2.061 297 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 297 Q C 2.146 178.156 176.000 0.016 0.000 0.984 297 Q CA 2.078 57.894 55.803 0.021 0.000 0.846 297 Q CB -0.729 28.020 28.738 0.019 0.000 0.902 297 Q HN 0.576 nan 8.270 nan 0.000 0.421 298 K N 0.644 121.050 120.400 0.010 0.000 2.148 298 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 298 K C 2.271 178.874 176.600 0.004 0.000 1.050 298 K CA 0.404 56.693 56.287 0.004 0.000 0.942 298 K CB -0.125 32.373 32.500 -0.004 0.000 0.724 298 K HN 0.114 nan 8.250 nan 0.000 0.446 299 L N 1.235 122.461 121.223 0.004 0.000 2.017 299 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 299 L C 2.150 179.032 176.870 0.020 0.000 1.073 299 L CA 1.261 56.105 54.840 0.006 0.000 0.745 299 L CB -0.183 41.879 42.059 0.005 0.000 0.894 299 L HN 0.211 nan 8.230 nan 0.000 0.432 300 L N -0.202 121.035 121.223 0.022 0.000 2.042 300 L HA -0.286 4.054 4.340 -0.000 0.000 0.210 300 L C 2.506 179.398 176.870 0.037 0.000 1.076 300 L CA 1.642 56.498 54.840 0.026 0.000 0.749 300 L CB -0.492 41.581 42.059 0.023 0.000 0.893 300 L HN 0.330 nan 8.230 nan 0.000 0.432 301 E N -0.175 120.048 120.200 0.037 0.000 2.077 301 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 301 E C 2.302 178.955 176.600 0.088 0.000 0.989 301 E CA 1.163 57.595 56.400 0.052 0.000 0.800 301 E CB -0.218 29.501 29.700 0.031 0.000 0.746 301 E HN 0.526 nan 8.360 nan 0.000 0.452 302 A N 1.283 124.145 122.820 0.070 0.000 1.883 302 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 302 A C 2.444 180.113 177.584 0.143 0.000 1.186 302 A CA 1.875 53.976 52.037 0.107 0.000 0.624 302 A CB -1.358 17.674 19.000 0.053 0.000 0.822 302 A HN 0.372 nan 8.150 nan 0.000 0.444 303 G N 0.024 108.872 108.800 0.080 0.000 2.459 303 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.217 303 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.217 303 G C 1.510 176.439 174.900 0.049 0.000 1.183 303 G CA 1.490 46.622 45.100 0.053 0.000 0.776 303 G HN 0.622 nan 8.290 nan 0.000 0.552 304 N N 0.000 118.735 118.700 0.058 0.000 2.061 304 N HA -0.176 4.564 4.740 -0.000 0.000 0.193 304 N C 1.871 177.411 175.510 0.050 0.000 1.030 304 N CA 1.643 54.719 53.050 0.044 0.000 0.856 304 N CB -0.429 38.090 38.487 0.053 0.000 1.023 304 N HN 0.276 nan 8.380 nan 0.000 0.424 305 F N 0.606 120.553 119.950 -0.006 0.000 2.065 305 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 305 F C 2.119 177.914 175.800 -0.008 0.000 1.112 305 F CA 1.289 59.286 58.000 -0.006 0.000 1.212 305 F CB -0.831 38.166 39.000 -0.004 0.000 0.975 305 F HN 0.159 nan 8.300 nan 0.000 0.476 306 I N 0.111 120.562 120.570 -0.197 0.000 2.286 306 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 306 I C 2.340 178.311 176.117 -0.244 0.000 1.115 306 I CA 1.283 62.412 61.300 -0.285 0.000 1.392 306 I CB -0.988 36.990 38.000 -0.036 0.000 1.065 306 I HN 0.371 nan 8.210 nan 0.000 0.418 307 C N 0.109 119.322 119.300 -0.146 0.000 2.432 307 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 307 C C 2.686 177.593 174.990 -0.137 0.000 1.249 307 C CA 1.037 59.988 59.018 -0.111 0.000 1.725 307 C CB -1.249 26.452 27.740 -0.064 0.000 2.028 307 C HN 0.550 nan 8.230 nan 0.000 0.477 308 Q N 0.710 120.415 119.800 -0.158 0.000 2.124 308 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 308 Q C 2.344 178.229 176.000 -0.191 0.000 0.977 308 Q CA 1.709 57.425 55.803 -0.145 0.000 0.850 308 Q CB -0.342 28.328 28.738 -0.114 0.000 0.901 308 Q HN 0.737 nan 8.270 nan 0.000 0.429 309 A N -0.126 122.498 122.820 -0.326 0.000 2.172 309 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 309 A C 1.655 179.124 177.584 -0.192 0.000 1.154 309 A CA 0.890 52.739 52.037 -0.314 0.000 0.701 309 A CB 0.031 18.708 19.000 -0.539 0.000 0.789 309 A HN 0.239 nan 8.150 nan 0.000 0.465 310 L N -1.121 120.004 121.223 -0.163 0.000 2.638 310 L HA 0.255 4.595 4.340 -0.000 0.000 0.232 310 L C 0.678 177.497 176.870 -0.083 0.000 1.099 310 L CA 0.566 55.341 54.840 -0.109 0.000 0.883 310 L CB -0.521 41.478 42.059 -0.099 0.000 1.136 310 L HN 0.643 nan 8.230 nan 0.000 0.492 311 N N 0.993 119.642 118.700 -0.086 0.000 2.699 311 N HA -0.220 4.520 4.740 -0.000 0.000 0.257 311 N C -0.451 175.026 175.510 -0.056 0.000 1.077 311 N CA 0.552 53.563 53.050 -0.064 0.000 0.702 311 N CB -0.348 38.107 38.487 -0.053 0.000 0.886 311 N HN 0.458 nan 8.380 nan 0.000 0.549 312 R N -0.406 120.060 120.500 -0.058 0.000 2.663 312 R HA 0.462 4.802 4.340 -0.000 0.000 0.267 312 R C -1.452 174.821 176.300 -0.045 0.000 1.038 312 R CA -1.140 54.931 56.100 -0.049 0.000 0.886 312 R CB 0.557 30.826 30.300 -0.051 0.000 1.249 312 R HN -0.128 nan 8.270 nan 0.000 0.463 313 K N 1.059 121.436 120.400 -0.038 0.000 2.185 313 K HA 0.230 4.550 4.320 -0.000 0.000 0.271 313 K C -0.132 176.449 176.600 -0.032 0.000 1.013 313 K CA -0.480 55.788 56.287 -0.033 0.000 0.943 313 K CB 1.500 33.982 32.500 -0.029 0.000 0.998 313 K HN 0.749 nan 8.250 nan 0.000 0.468 314 T N 0.256 114.793 114.554 -0.028 0.000 2.918 314 T HA 0.052 4.402 4.350 -0.000 0.000 0.302 314 T C 0.904 175.589 174.700 -0.024 0.000 1.045 314 T CA -0.100 61.985 62.100 -0.024 0.000 1.114 314 T CB 0.351 69.209 68.868 -0.018 0.000 0.965 314 T HN 0.461 nan 8.240 nan 0.000 0.540 315 S N 2.432 118.119 115.700 -0.022 0.000 2.524 315 S HA 0.130 4.599 4.470 -0.000 0.000 0.216 315 S C 0.946 175.535 174.600 -0.019 0.000 0.987 315 S CA -0.232 57.955 58.200 -0.022 0.000 0.909 315 S CB 0.165 63.352 63.200 -0.021 0.000 0.781 315 S HN 0.758 nan 8.310 nan 0.000 0.521 316 S N 2.192 117.882 115.700 -0.016 0.000 2.515 316 S HA 0.094 4.564 4.470 -0.000 0.000 0.285 316 S C 1.219 175.799 174.600 -0.034 0.000 1.265 316 S CA -0.388 57.801 58.200 -0.018 0.000 1.079 316 S CB 0.280 63.473 63.200 -0.012 0.000 0.877 316 S HN 0.098 nan 8.310 nan 0.000 0.493 317 K N 4.063 124.436 120.400 -0.045 0.000 2.148 317 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 317 K C 1.936 178.478 176.600 -0.098 0.000 1.050 317 K CA 0.842 57.090 56.287 -0.065 0.000 0.942 317 K CB -0.554 31.905 32.500 -0.068 0.000 0.724 317 K HN 0.566 nan 8.250 nan 0.000 0.446 318 V N 1.421 121.266 119.914 -0.116 0.000 2.379 318 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 318 V C 2.396 178.439 176.094 -0.085 0.000 1.044 318 V CA 1.768 63.974 62.300 -0.157 0.000 1.036 318 V CB -0.719 31.015 31.823 -0.149 0.000 0.664 318 V HN 0.233 nan 8.190 nan 0.000 0.453 319 A N -0.702 122.088 122.820 -0.049 0.000 2.019 319 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 319 A C 2.165 179.730 177.584 -0.030 0.000 1.164 319 A CA 1.830 53.851 52.037 -0.027 0.000 0.644 319 A CB -0.354 18.637 19.000 -0.015 0.000 0.805 319 A HN 0.666 nan 8.150 nan 0.000 0.449 320 Q N -1.019 118.757 119.800 -0.041 0.000 2.163 320 Q HA 0.127 4.466 4.340 -0.000 0.000 0.198 320 Q C 2.310 178.286 176.000 -0.040 0.000 0.954 320 Q CA 0.945 56.726 55.803 -0.037 0.000 0.851 320 Q CB -0.244 28.471 28.738 -0.038 0.000 0.928 320 Q HN 0.633 nan 8.270 nan 0.000 0.459 321 A N 0.378 123.162 122.820 -0.059 0.000 2.066 321 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 321 A C 2.016 179.575 177.584 -0.042 0.000 1.157 321 A CA 1.380 53.381 52.037 -0.060 0.000 0.670 321 A CB -0.367 18.575 19.000 -0.097 0.000 0.804 321 A HN 0.230 nan 8.150 nan 0.000 0.453 322 T N -2.032 112.500 114.554 -0.037 0.000 2.814 322 T HA 0.159 4.509 4.350 -0.000 0.000 0.254 322 T C 0.637 175.332 174.700 -0.009 0.000 1.037 322 T CA 1.301 63.391 62.100 -0.017 0.000 1.143 322 T CB -0.288 68.575 68.868 -0.009 0.000 0.866 322 T HN 0.599 nan 8.240 nan 0.000 0.431 323 C N 0.000 119.294 119.300 -0.010 0.000 2.653 323 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 323 C CA 0.000 59.015 59.018 -0.005 0.000 1.963 323 C CB 0.000 27.741 27.740 0.001 0.000 2.134 323 C HN 0.000 nan 8.230 nan 0.000 0.568