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 2prl_1_A DATA FIRST_RESID 30 DATA SEQUENCE MATGDERFYA EHLMPTLQGL LDPESAHRLA VRFTSLGLLP RARFQDSDML DATA SEQUENCE EVRVLGHKFR NPVGIAAGFD KHGEAVDGLY KMGFGFVEIG SVTPKPQEGN DATA SEQUENCE PRPRVFRLPE DQAVINRYGF NSHGLSVVEH RLRARQQKQA KLTEDGLPLG DATA SEQUENCE VNLGKNKTSV DAAEDYAEGV RVLGPLADYL VVNVSSPNTA GLRSLQGKAE DATA SEQUENCE LRRLLTKVLQ ERDGLRRVHR PAVLVKIAPD LTSQDKEDIA SVVKELGIDG DATA SEQUENCE LIVTNTTVSR PAGLQGALRS ETGGLSGKPL RDLSTQTIRE MYALTQGRVP DATA SEQUENCE IIGVGGVSSG QDALEKIRAG ASLVQLYTAL TFWGPPVVGK VKRELEALLK DATA SEQUENCE EQGFGGVTDA IGADHRR 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 30 M HA 0.000 nan 4.480 nan 0.000 0.227 30 M C 0.000 176.386 176.300 0.143 0.000 1.140 30 M CA 0.000 55.362 55.300 0.104 0.000 0.988 30 M CB 0.000 32.671 32.600 0.118 0.000 1.302 31 A N 0.961 123.853 122.820 0.121 0.000 2.568 31 A HA 0.542 4.862 4.320 0.000 0.000 0.287 31 A C 0.307 178.040 177.584 0.249 0.000 0.967 31 A CA 0.304 52.473 52.037 0.220 0.000 1.004 31 A CB 0.282 19.458 19.000 0.293 0.000 1.233 31 A HN 0.335 nan 8.150 nan 0.000 0.513 32 T N -0.362 114.193 114.554 0.001 0.000 2.801 32 T HA 0.533 4.883 4.350 0.000 0.000 0.306 32 T C 0.220 174.782 174.700 -0.229 0.000 1.020 32 T CA 0.489 62.563 62.100 -0.044 0.000 0.948 32 T CB 0.013 68.815 68.868 -0.111 0.000 0.962 32 T HN 1.442 nan 8.240 nan 0.000 0.465 33 G N 4.047 112.943 108.800 0.160 0.000 3.246 33 G HA2 0.257 4.218 3.960 0.000 0.000 0.234 33 G HA3 0.257 4.218 3.960 0.000 0.000 0.234 33 G C -0.956 174.070 174.900 0.211 0.000 3.750 33 G CA -0.238 45.075 45.100 0.356 0.000 0.588 33 G HN 0.898 nan 8.290 nan 0.000 0.345 34 D N -0.219 120.330 120.400 0.248 0.000 2.141 34 D HA -0.036 4.605 4.640 0.000 0.000 0.146 34 D C 0.667 177.150 176.300 0.305 0.000 1.035 34 D CA -0.305 53.835 54.000 0.234 0.000 0.976 34 D CB 0.543 41.475 40.800 0.220 0.000 3.523 34 D HN 0.152 nan 8.370 nan 0.000 0.515 35 E N 1.876 122.168 120.200 0.153 0.000 2.070 35 E HA -0.209 4.141 4.350 0.000 0.000 0.197 35 E C 1.813 178.523 176.600 0.182 0.000 1.004 35 E CA 1.486 57.958 56.400 0.121 0.000 0.805 35 E CB 0.233 29.947 29.700 0.023 0.000 0.744 35 E HN 0.412 nan 8.360 nan 0.000 0.451 36 R N -0.305 120.297 120.500 0.170 0.000 2.075 36 R HA -0.121 4.219 4.340 0.000 0.000 0.232 36 R C 2.307 178.756 176.300 0.248 0.000 1.126 36 R CA 1.260 57.453 56.100 0.155 0.000 0.963 36 R CB -0.419 29.960 30.300 0.131 0.000 0.858 36 R HN 0.182 nan 8.270 nan 0.000 0.435 37 F N 0.554 120.633 119.950 0.216 0.000 2.134 37 F HA -0.224 4.303 4.527 0.000 0.000 0.299 37 F C 1.742 177.662 175.800 0.200 0.000 1.097 37 F CA 1.347 59.494 58.000 0.245 0.000 1.264 37 F CB -0.277 38.834 39.000 0.184 0.000 1.001 37 F HN -0.084 nan 8.300 nan 0.000 0.479 38 Y N 0.152 120.547 120.300 0.159 0.000 2.145 38 Y HA -0.131 4.419 4.550 0.000 0.000 0.286 38 Y C 2.631 178.574 175.900 0.071 0.000 1.145 38 Y CA 1.645 59.789 58.100 0.073 0.000 1.148 38 Y CB -1.213 37.347 38.460 0.166 0.000 0.981 38 Y HN 0.139 nan 8.280 nan 0.000 0.507 39 A N -0.237 122.761 122.820 0.296 0.000 1.929 39 A HA -0.147 4.173 4.320 0.000 0.000 0.216 39 A C 1.936 179.623 177.584 0.171 0.000 1.176 39 A CA 1.834 54.083 52.037 0.354 0.000 0.628 39 A CB -0.436 18.682 19.000 0.196 0.000 0.816 39 A HN 0.522 nan 8.150 nan 0.000 0.444 40 E N -2.325 117.854 120.200 -0.035 0.000 2.340 40 E HA 0.048 4.398 4.350 0.000 0.000 0.194 40 E C 1.267 177.552 176.600 -0.525 0.000 0.996 40 E CA 0.800 57.033 56.400 -0.277 0.000 0.869 40 E CB 0.104 29.567 29.700 -0.394 0.000 0.835 40 E HN 0.856 nan 8.360 nan 0.000 0.493 41 H N -1.009 117.924 119.070 -0.228 0.000 2.067 41 H HA 0.187 4.743 4.556 0.000 0.000 0.220 41 H C 1.698 176.753 175.328 -0.455 0.000 0.883 41 H CA -0.172 55.653 56.048 -0.372 0.000 1.042 41 H CB 0.249 29.683 29.762 -0.547 0.000 1.305 41 H HN -0.097 nan 8.280 nan 0.000 0.430 42 L N 0.406 121.262 121.223 -0.611 0.000 1.994 42 L HA -0.164 4.176 4.340 0.000 0.000 0.208 42 L C 1.744 178.472 176.870 -0.237 0.000 1.071 42 L CA 1.232 55.765 54.840 -0.511 0.000 0.745 42 L CB -0.032 41.563 42.059 -0.774 0.000 0.892 42 L HN 0.269 nan 8.230 nan 0.000 0.431 43 M N -0.329 119.187 119.600 -0.140 0.000 2.099 43 M HA -0.076 4.404 4.480 0.000 0.000 0.262 43 M C -0.037 176.235 176.300 -0.046 0.000 1.067 43 M CA 1.691 56.966 55.300 -0.042 0.000 1.124 43 M CB -2.459 30.172 32.600 0.052 0.000 1.353 43 M HN 0.129 nan 8.290 nan 0.000 0.410 44 P HA -0.097 nan 4.420 nan 0.000 0.216 44 P C 1.494 178.773 177.300 -0.034 0.000 1.150 44 P CA 1.504 64.592 63.100 -0.021 0.000 0.837 44 P CB -0.283 31.405 31.700 -0.021 0.000 0.786 45 T N -0.195 114.327 114.554 -0.054 0.000 2.737 45 T HA -0.109 4.241 4.350 0.000 0.000 0.265 45 T C 1.753 176.424 174.700 -0.049 0.000 1.038 45 T CA 0.823 62.895 62.100 -0.046 0.000 1.144 45 T CB -1.025 67.809 68.868 -0.055 0.000 0.866 45 T HN 0.051 nan 8.240 nan 0.000 0.434 46 L N 0.836 122.019 121.223 -0.067 0.000 2.013 46 L HA -0.226 4.114 4.340 0.000 0.000 0.212 46 L C 2.691 179.527 176.870 -0.057 0.000 1.073 46 L CA 1.665 56.464 54.840 -0.068 0.000 0.753 46 L CB -0.364 41.645 42.059 -0.084 0.000 0.890 46 L HN 0.316 nan 8.230 nan 0.000 0.432 47 Q N -0.915 118.852 119.800 -0.056 0.000 2.224 47 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 47 Q C 2.050 178.030 176.000 -0.033 0.000 0.970 47 Q CA 1.091 56.862 55.803 -0.054 0.000 0.865 47 Q CB -0.280 28.422 28.738 -0.060 0.000 0.922 47 Q HN 0.718 nan 8.270 nan 0.000 0.445 48 G N 0.357 109.142 108.800 -0.024 0.000 2.443 48 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 48 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 48 G C 1.236 176.128 174.900 -0.014 0.000 1.131 48 G CA 0.418 45.510 45.100 -0.014 0.000 0.775 48 G HN 0.125 nan 8.290 nan 0.000 0.547 49 L N -0.627 120.584 121.223 -0.021 0.000 2.298 49 L HA 0.471 4.811 4.340 0.000 0.000 0.209 49 L C 0.775 177.633 176.870 -0.019 0.000 1.084 49 L CA 0.621 55.450 54.840 -0.017 0.000 0.816 49 L CB -0.095 41.952 42.059 -0.020 0.000 0.967 49 L HN 0.045 nan 8.230 nan 0.000 0.460 50 L N 0.359 121.566 121.223 -0.027 0.000 2.386 50 L HA 0.317 4.657 4.340 0.000 0.000 0.271 50 L C -0.483 176.366 176.870 -0.035 0.000 0.993 50 L CA -0.958 53.865 54.840 -0.028 0.000 0.819 50 L CB 1.840 43.880 42.059 -0.031 0.000 1.294 50 L HN 0.145 nan 8.230 nan 0.000 0.414 51 D N 2.938 123.317 120.400 -0.035 0.000 2.378 51 D HA 0.024 4.664 4.640 0.000 0.000 0.238 51 D C -2.012 174.249 176.300 -0.066 0.000 1.180 51 D CA -1.158 52.809 54.000 -0.054 0.000 0.895 51 D CB 1.126 41.889 40.800 -0.060 0.000 1.192 51 D HN 0.239 nan 8.370 nan 0.000 0.438 52 P HA -0.217 nan 4.420 nan 0.000 0.216 52 P C 1.339 178.626 177.300 -0.021 0.000 1.153 52 P CA 1.451 64.489 63.100 -0.103 0.000 0.858 52 P CB 0.110 31.703 31.700 -0.179 0.000 0.789 53 E N -0.202 119.974 120.200 -0.041 0.000 2.072 53 E HA -0.114 4.236 4.350 0.000 0.000 0.191 53 E C 2.043 178.695 176.600 0.086 0.000 0.985 53 E CA 1.218 57.666 56.400 0.080 0.000 0.801 53 E CB -0.252 29.458 29.700 0.016 0.000 0.750 53 E HN 0.062 nan 8.360 nan 0.000 0.452 54 S N 0.315 116.030 115.700 0.025 0.000 2.368 54 S HA -0.158 4.312 4.470 0.000 0.000 0.225 54 S C 2.010 176.630 174.600 0.033 0.000 1.030 54 S CA 0.962 59.175 58.200 0.021 0.000 0.999 54 S CB -0.256 62.944 63.200 0.001 0.000 0.844 54 S HN 0.493 nan 8.310 nan 0.000 0.459 55 A N 0.949 123.788 122.820 0.031 0.000 1.902 55 A HA -0.193 4.127 4.320 0.000 0.000 0.217 55 A C 1.864 179.519 177.584 0.119 0.000 1.181 55 A CA 1.823 53.880 52.037 0.033 0.000 0.623 55 A CB -1.046 17.950 19.000 -0.006 0.000 0.818 55 A HN 0.731 nan 8.150 nan 0.000 0.443 56 H N -0.555 118.534 119.070 0.031 0.000 2.290 56 H HA -0.131 4.425 4.556 0.000 0.000 0.298 56 H C 2.449 177.754 175.328 -0.038 0.000 1.087 56 H CA 1.514 57.586 56.048 0.041 0.000 1.291 56 H CB 0.019 29.839 29.762 0.096 0.000 1.369 56 H HN 0.437 nan 8.280 nan 0.000 0.492 57 R N -0.105 120.390 120.500 -0.008 0.000 2.091 57 R HA -0.151 4.190 4.340 0.000 0.000 0.238 57 R C 2.473 178.780 176.300 0.012 0.000 1.136 57 R CA 1.342 57.394 56.100 -0.080 0.000 0.959 57 R CB -0.289 29.988 30.300 -0.039 0.000 0.856 57 R HN 0.275 nan 8.270 nan 0.000 0.437 58 L N 0.615 121.872 121.223 0.056 0.000 2.056 58 L HA -0.050 4.290 4.340 0.000 0.000 0.207 58 L C 2.309 179.262 176.870 0.138 0.000 1.078 58 L CA 1.766 56.660 54.840 0.090 0.000 0.749 58 L CB -0.571 41.480 42.059 -0.014 0.000 0.901 58 L HN 0.136 nan 8.230 nan 0.000 0.433 59 A N -1.222 121.677 122.820 0.132 0.000 1.902 59 A HA -0.166 4.154 4.320 0.000 0.000 0.217 59 A C 2.267 180.034 177.584 0.305 0.000 1.181 59 A CA 2.046 54.236 52.037 0.255 0.000 0.623 59 A CB -1.095 18.145 19.000 0.399 0.000 0.818 59 A HN 0.280 nan 8.150 nan 0.000 0.443 60 V N -0.068 119.901 119.914 0.091 0.000 2.295 60 V HA -0.258 3.862 4.120 0.000 0.000 0.246 60 V C 2.677 178.822 176.094 0.084 0.000 1.049 60 V CA 2.444 64.716 62.300 -0.046 0.000 1.024 60 V CB -0.809 30.840 31.823 -0.291 0.000 0.648 60 V HN 0.650 nan 8.190 nan 0.000 0.447 61 R N -0.192 120.384 120.500 0.127 0.000 2.073 61 R HA -0.144 4.196 4.340 0.000 0.000 0.234 61 R C 2.018 178.440 176.300 0.204 0.000 1.134 61 R CA 1.911 58.102 56.100 0.153 0.000 0.952 61 R CB -0.724 29.682 30.300 0.177 0.000 0.850 61 R HN 0.394 nan 8.270 nan 0.000 0.433 62 F N 0.134 120.129 119.950 0.076 0.000 2.134 62 F HA -0.130 4.398 4.527 0.000 0.000 0.299 62 F C 2.367 178.227 175.800 0.101 0.000 1.097 62 F CA 1.916 59.971 58.000 0.091 0.000 1.264 62 F CB -0.861 38.206 39.000 0.112 0.000 1.001 62 F HN 0.055 nan 8.300 nan 0.000 0.479 63 T N -0.760 113.981 114.554 0.312 0.000 2.746 63 T HA -0.208 4.143 4.350 0.000 0.000 0.267 63 T C 2.293 177.080 174.700 0.146 0.000 1.039 63 T CA 1.736 63.975 62.100 0.232 0.000 1.142 63 T CB -0.662 68.385 68.868 0.299 0.000 0.866 63 T HN 0.392 nan 8.240 nan 0.000 0.444 64 S N 1.570 117.339 115.700 0.115 0.000 2.399 64 S HA 0.021 4.491 4.470 0.000 0.000 0.231 64 S C 1.927 176.552 174.600 0.042 0.000 1.022 64 S CA 0.776 59.016 58.200 0.065 0.000 0.983 64 S CB -0.687 62.539 63.200 0.044 0.000 0.803 64 S HN 0.481 nan 8.310 nan 0.000 0.480 65 L N 0.868 122.104 121.223 0.022 0.000 2.558 65 L HA 0.303 4.643 4.340 0.000 0.000 0.225 65 L C 1.913 178.783 176.870 -0.000 0.000 1.128 65 L CA 0.373 55.201 54.840 -0.020 0.000 0.868 65 L CB -0.683 41.313 42.059 -0.106 0.000 1.006 65 L HN 0.602 nan 8.230 nan 0.000 0.454 66 G N 0.739 109.565 108.800 0.043 0.000 2.143 66 G HA2 -0.288 3.672 3.960 0.000 0.000 0.248 66 G HA3 -0.288 3.672 3.960 0.000 0.000 0.248 66 G C 0.276 175.215 174.900 0.065 0.000 0.991 66 G CA -0.201 44.936 45.100 0.061 0.000 0.689 66 G HN 0.270 nan 8.290 nan 0.000 0.522 67 L N 0.600 121.859 121.223 0.060 0.000 2.395 67 L HA 0.521 4.861 4.340 0.000 0.000 0.268 67 L C 0.552 177.555 176.870 0.223 0.000 1.223 67 L CA 0.044 54.937 54.840 0.088 0.000 1.093 67 L CB -0.118 41.897 42.059 -0.073 0.000 1.349 67 L HN 0.149 nan 8.230 nan 0.000 0.427 68 L N 2.864 124.188 121.223 0.169 0.000 2.393 68 L HA 0.626 4.966 4.340 0.000 0.000 0.260 68 L C -2.051 174.900 176.870 0.135 0.000 1.002 68 L CA -1.928 53.012 54.840 0.167 0.000 0.818 68 L CB 2.232 44.359 42.059 0.114 0.000 1.369 68 L HN 0.232 nan 8.230 nan 0.000 0.412 69 P HA 0.152 nan 4.420 nan 0.000 0.272 69 P C -0.960 176.358 177.300 0.030 0.000 1.223 69 P CA -0.448 62.703 63.100 0.084 0.000 0.784 69 P CB 0.512 32.208 31.700 -0.008 0.000 0.923 70 R N 0.975 121.497 120.500 0.037 0.000 2.458 70 R HA 0.244 4.584 4.340 0.000 0.000 0.303 70 R C 0.429 176.735 176.300 0.010 0.000 1.013 70 R CA -0.100 56.017 56.100 0.027 0.000 1.026 70 R CB 0.006 30.324 30.300 0.031 0.000 0.948 70 R HN 0.504 nan 8.270 nan 0.000 0.417 71 A N 4.723 127.550 122.820 0.012 0.000 2.797 71 A HA 0.076 4.396 4.320 0.000 0.000 0.296 71 A C 1.033 178.645 177.584 0.046 0.000 1.580 71 A CA -0.289 51.757 52.037 0.015 0.000 1.277 71 A CB -0.052 18.955 19.000 0.011 0.000 1.101 71 A HN 0.831 nan 8.150 nan 0.000 0.562 72 R N 1.267 121.800 120.500 0.055 0.000 2.115 72 R HA -0.073 4.267 4.340 0.000 0.000 0.230 72 R C 0.305 176.651 176.300 0.076 0.000 1.111 72 R CA 0.701 56.835 56.100 0.057 0.000 0.976 72 R CB -0.120 30.213 30.300 0.056 0.000 0.870 72 R HN 0.675 nan 8.270 nan 0.000 0.445 73 F N 2.554 122.490 119.950 -0.023 0.000 2.571 73 F HA -0.024 4.504 4.527 0.000 0.000 0.384 73 F C 0.361 176.157 175.800 -0.007 0.000 1.058 73 F CA -0.258 57.732 58.000 -0.017 0.000 1.200 73 F CB 0.474 39.457 39.000 -0.028 0.000 1.077 73 F HN -0.119 nan 8.300 nan 0.000 0.558 74 Q N 5.192 124.586 119.800 -0.676 0.000 2.296 74 Q HA 0.188 4.529 4.340 0.000 0.000 0.257 74 Q C -1.156 174.401 176.000 -0.738 0.000 0.942 74 Q CA -0.567 54.937 55.803 -0.499 0.000 0.939 74 Q CB 0.574 29.119 28.738 -0.322 0.000 1.198 74 Q HN 0.485 nan 8.270 nan 0.000 0.429 75 D N 2.370 122.620 120.400 -0.251 0.000 2.417 75 D HA 0.068 4.708 4.640 0.000 0.000 0.250 75 D C -0.258 176.011 176.300 -0.052 0.000 1.166 75 D CA 0.282 54.274 54.000 -0.014 0.000 0.881 75 D CB 0.741 41.626 40.800 0.142 0.000 1.164 75 D HN 0.631 nan 8.370 nan 0.000 0.467 76 S N 1.455 117.153 115.700 -0.003 0.000 2.693 76 S HA 0.180 4.650 4.470 0.000 0.000 0.276 76 S C 0.761 175.392 174.600 0.052 0.000 1.192 76 S CA -0.770 57.434 58.200 0.006 0.000 0.994 76 S CB 1.479 64.691 63.200 0.020 0.000 1.012 76 S HN 0.178 nan 8.310 nan 0.000 0.550 77 D N 0.724 121.147 120.400 0.039 0.000 2.221 77 D HA -0.085 4.555 4.640 0.000 0.000 0.204 77 D C 1.764 178.102 176.300 0.063 0.000 0.982 77 D CA 1.277 55.306 54.000 0.048 0.000 0.857 77 D CB -0.389 40.432 40.800 0.035 0.000 0.934 77 D HN 0.551 nan 8.370 nan 0.000 0.475 78 M N -0.254 119.388 119.600 0.070 0.000 2.195 78 M HA -0.142 4.338 4.480 0.000 0.000 0.260 78 M C 1.802 178.153 176.300 0.085 0.000 1.066 78 M CA 1.103 56.451 55.300 0.079 0.000 1.089 78 M CB -0.126 32.528 32.600 0.090 0.000 1.377 78 M HN 0.050 nan 8.290 nan 0.000 0.411 79 L N -0.862 120.425 121.223 0.107 0.000 2.509 79 L HA 0.055 4.396 4.340 0.000 0.000 0.222 79 L C 1.097 178.037 176.870 0.118 0.000 1.123 79 L CA -0.123 54.789 54.840 0.119 0.000 0.856 79 L CB -0.298 41.864 42.059 0.172 0.000 0.985 79 L HN 0.263 nan 8.230 nan 0.000 0.456 80 E N 1.251 121.516 120.200 0.108 0.000 2.344 80 E HA 0.215 4.565 4.350 0.000 0.000 0.270 80 E C -1.169 175.492 176.600 0.102 0.000 1.021 80 E CA -0.140 56.330 56.400 0.118 0.000 0.887 80 E CB 1.052 30.809 29.700 0.095 0.000 0.997 80 E HN -0.129 nan 8.360 nan 0.000 0.429 81 V N 5.503 125.498 119.914 0.136 0.000 2.656 81 V HA 0.396 4.517 4.120 0.000 0.000 0.307 81 V C -0.337 175.857 176.094 0.168 0.000 1.051 81 V CA -0.780 61.574 62.300 0.091 0.000 0.893 81 V CB 1.934 33.748 31.823 -0.015 0.000 0.999 81 V HN 0.675 nan 8.190 nan 0.000 0.426 82 R N 2.568 123.133 120.500 0.108 0.000 2.288 82 R HA 0.825 5.165 4.340 0.000 0.000 0.326 82 R C -1.204 175.149 176.300 0.088 0.000 0.959 82 R CA -0.345 55.833 56.100 0.131 0.000 0.834 82 R CB 1.902 32.248 30.300 0.076 0.000 1.157 82 R HN 0.489 nan 8.270 nan 0.000 0.470 83 V N 4.242 124.247 119.914 0.151 0.000 3.204 83 V HA 0.222 4.342 4.120 0.000 0.000 0.298 83 V C -0.196 175.999 176.094 0.170 0.000 1.328 83 V CA -0.698 61.638 62.300 0.059 0.000 1.035 83 V CB 1.923 33.678 31.823 -0.113 0.000 1.095 83 V HN 0.916 nan 8.190 nan 0.000 0.442 84 L N 3.929 125.199 121.223 0.079 0.000 4.179 84 L HA -0.213 4.127 4.340 0.000 0.000 0.418 84 L C 1.259 178.224 176.870 0.157 0.000 1.168 84 L CA 1.007 55.923 54.840 0.126 0.000 0.972 84 L CB -1.556 40.601 42.059 0.163 0.000 2.005 84 L HN 1.652 nan 8.230 nan 0.000 0.935 85 G N -1.346 107.474 108.800 0.033 0.000 2.143 85 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 85 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 85 G C 0.118 174.759 174.900 -0.432 0.000 0.991 85 G CA 0.533 45.535 45.100 -0.164 0.000 0.689 85 G HN 0.622 nan 8.290 nan 0.000 0.522 86 H N -0.973 118.141 119.070 0.073 0.000 2.928 86 H HA 0.469 5.025 4.556 0.000 0.000 0.371 86 H C -0.315 175.024 175.328 0.019 0.000 1.186 86 H CA -0.699 55.333 56.048 -0.027 0.000 1.134 86 H CB 1.838 31.482 29.762 -0.198 0.000 1.824 86 H HN 0.214 nan 8.280 nan 0.000 0.554 87 K N 1.733 122.161 120.400 0.048 0.000 2.201 87 K HA 0.319 4.640 4.320 0.000 0.000 0.278 87 K C -1.314 175.241 176.600 -0.074 0.000 1.027 87 K CA -0.363 55.966 56.287 0.069 0.000 0.909 87 K CB 0.454 32.975 32.500 0.036 0.000 1.062 87 K HN 0.213 nan 8.250 nan 0.000 0.465 88 F N 3.851 123.833 119.950 0.052 0.000 2.427 88 F HA 0.349 4.876 4.527 0.000 0.000 0.348 88 F C 1.356 177.213 175.800 0.095 0.000 1.125 88 F CA -0.863 57.182 58.000 0.075 0.000 0.989 88 F CB 1.541 40.555 39.000 0.022 0.000 1.165 88 F HN 0.645 nan 8.300 nan 0.000 0.442 89 R N 2.184 122.819 120.500 0.225 0.000 2.103 89 R HA -0.204 4.136 4.340 0.000 0.000 0.242 89 R C -0.214 176.217 176.300 0.218 0.000 1.142 89 R CA 1.932 58.139 56.100 0.178 0.000 0.960 89 R CB -0.080 30.303 30.300 0.138 0.000 0.858 89 R HN 0.886 nan 8.270 nan 0.000 0.439 90 N N -2.629 116.246 118.700 0.293 0.000 2.494 90 N HA 0.209 4.949 4.740 0.000 0.000 0.270 90 N C -2.646 173.065 175.510 0.335 0.000 1.285 90 N CA -1.594 51.619 53.050 0.271 0.000 0.812 90 N CB 2.164 40.798 38.487 0.244 0.000 1.557 90 N HN -0.295 nan 8.380 nan 0.000 0.487 91 P HA 0.137 nan 4.420 nan 0.000 0.257 91 P C -0.758 176.765 177.300 0.372 0.000 1.325 91 P CA 0.072 63.312 63.100 0.232 0.000 0.850 91 P CB 0.226 31.975 31.700 0.082 0.000 1.324 92 V N 0.474 120.595 119.914 0.345 0.000 2.328 92 V HA 0.621 4.742 4.120 0.000 0.000 0.278 92 V C 0.914 177.120 176.094 0.187 0.000 1.021 92 V CA -0.457 61.990 62.300 0.245 0.000 0.838 92 V CB 1.133 33.039 31.823 0.138 0.000 0.999 92 V HN 0.105 nan 8.190 nan 0.000 0.447 93 G N 3.363 111.998 108.800 -0.274 0.000 2.489 93 G HA2 0.673 4.633 3.960 0.000 0.000 0.327 93 G HA3 0.673 4.633 3.960 0.000 0.000 0.327 93 G C -1.068 173.357 174.900 -0.791 0.000 1.189 93 G CA -0.800 43.684 45.100 -1.028 0.000 0.962 93 G HN 0.601 nan 8.290 nan 0.000 0.486 94 I N 1.328 121.124 120.570 -1.289 0.000 2.371 94 I HA 0.587 4.757 4.170 0.000 0.000 0.290 94 I C 0.853 176.604 176.117 -0.610 0.000 1.028 94 I CA -0.452 60.088 61.300 -1.267 0.000 1.345 94 I CB 0.741 37.764 38.000 -1.628 0.000 1.407 94 I HN 0.646 nan 8.210 nan 0.000 0.501 95 A N 6.370 128.976 122.820 -0.358 0.000 2.406 95 A HA 0.655 4.976 4.320 0.000 0.000 0.243 95 A C 0.546 178.068 177.584 -0.104 0.000 1.082 95 A CA -0.010 51.955 52.037 -0.120 0.000 0.786 95 A CB -0.179 18.850 19.000 0.049 0.000 1.029 95 A HN 1.131 nan 8.150 nan 0.000 0.495 96 A N -0.038 122.785 122.820 0.005 0.000 2.507 96 A HA 0.478 4.798 4.320 0.000 0.000 0.235 96 A C 1.632 179.270 177.584 0.091 0.000 1.070 96 A CA 0.961 53.010 52.037 0.020 0.000 0.768 96 A CB -0.562 18.482 19.000 0.073 0.000 1.011 96 A HN 2.748 nan 8.150 nan 0.000 0.502 97 G N -0.072 108.751 108.800 0.037 0.000 2.279 97 G HA2 -0.298 3.663 3.960 0.000 0.000 0.223 97 G HA3 -0.298 3.663 3.960 0.000 0.000 0.223 97 G C 0.902 175.842 174.900 0.067 0.000 1.015 97 G CA 0.959 46.144 45.100 0.142 0.000 0.621 97 G HN 1.344 nan 8.290 nan 0.000 0.506 98 F N 2.079 121.757 119.950 -0.453 0.000 2.098 98 F HA 0.329 4.856 4.527 0.000 0.000 0.294 98 F C 1.036 176.739 175.800 -0.161 0.000 1.107 98 F CA 1.686 59.327 58.000 -0.600 0.000 1.234 98 F CB 0.283 38.645 39.000 -1.062 0.000 1.002 98 F HN 0.082 nan 8.300 nan 0.000 0.472 99 D N 0.462 120.707 120.400 -0.258 0.000 2.540 99 D HA 0.146 4.787 4.640 0.000 0.000 0.251 99 D C 0.830 176.912 176.300 -0.364 0.000 1.159 99 D CA -0.006 53.796 54.000 -0.331 0.000 0.974 99 D CB 0.356 41.058 40.800 -0.162 0.000 0.996 99 D HN 0.183 nan 8.370 nan 0.000 0.512 100 K N 0.171 120.230 120.400 -0.567 0.000 2.147 100 K HA -0.102 4.218 4.320 0.000 0.000 0.205 100 K C 0.776 176.982 176.600 -0.656 0.000 1.049 100 K CA 0.978 56.862 56.287 -0.673 0.000 0.936 100 K CB 0.183 32.121 32.500 -0.935 0.000 0.722 100 K HN 0.495 nan 8.250 nan 0.000 0.446 101 H N -1.429 117.446 119.070 -0.324 0.000 2.592 101 H HA 0.210 4.766 4.556 0.000 0.000 0.279 101 H C 0.782 176.003 175.328 -0.179 0.000 1.089 101 H CA 0.485 56.335 56.048 -0.330 0.000 1.150 101 H CB 0.862 30.196 29.762 -0.713 0.000 1.575 101 H HN 0.330 nan 8.280 nan 0.000 0.547 102 G N 1.996 110.731 108.800 -0.108 0.000 2.246 102 G HA2 -0.315 3.645 3.960 0.000 0.000 0.273 102 G HA3 -0.315 3.645 3.960 0.000 0.000 0.273 102 G C 0.690 175.572 174.900 -0.030 0.000 1.055 102 G CA 0.567 45.628 45.100 -0.066 0.000 0.851 102 G HN 0.504 nan 8.290 nan 0.000 0.500 103 E N -0.773 119.400 120.200 -0.044 0.000 2.400 103 E HA 0.387 4.737 4.350 0.000 0.000 0.195 103 E C 2.046 178.642 176.600 -0.006 0.000 1.012 103 E CA 0.679 57.072 56.400 -0.010 0.000 0.875 103 E CB 0.282 29.976 29.700 -0.009 0.000 0.859 103 E HN 0.774 nan 8.360 nan 0.000 0.498 104 A N 0.330 123.138 122.820 -0.021 0.000 2.605 104 A HA 0.220 4.540 4.320 0.000 0.000 0.292 104 A C 1.542 179.126 177.584 -0.001 0.000 1.055 104 A CA -0.239 51.810 52.037 0.020 0.000 0.969 104 A CB 0.175 19.214 19.000 0.065 0.000 1.236 104 A HN 0.023 nan 8.150 nan 0.000 0.534 105 V N 0.450 120.340 119.914 -0.039 0.000 2.252 105 V HA -0.278 3.842 4.120 0.000 0.000 0.249 105 V C 2.204 178.232 176.094 -0.110 0.000 1.056 105 V CA 2.564 64.790 62.300 -0.124 0.000 1.022 105 V CB -0.488 31.300 31.823 -0.058 0.000 0.641 105 V HN 0.558 nan 8.190 nan 0.000 0.445 106 D N 0.488 120.930 120.400 0.069 0.000 2.117 106 D HA -0.122 4.519 4.640 0.000 0.000 0.197 106 D C 2.205 178.593 176.300 0.146 0.000 0.987 106 D CA 1.742 55.853 54.000 0.184 0.000 0.829 106 D CB -0.469 40.418 40.800 0.146 0.000 0.961 106 D HN 0.512 nan 8.370 nan 0.000 0.460 107 G N 0.905 109.761 108.800 0.094 0.000 2.432 107 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 107 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 107 G C 1.851 176.815 174.900 0.107 0.000 1.135 107 G CA 0.207 45.370 45.100 0.105 0.000 0.767 107 G HN 0.225 nan 8.290 nan 0.000 0.550 108 L N -1.072 120.182 121.223 0.051 0.000 2.056 108 L HA -0.025 4.315 4.340 0.000 0.000 0.207 108 L C 2.643 179.589 176.870 0.127 0.000 1.078 108 L CA 0.850 55.732 54.840 0.070 0.000 0.749 108 L CB -0.442 41.551 42.059 -0.111 0.000 0.901 108 L HN 0.247 nan 8.230 nan 0.000 0.433 109 Y N -0.030 120.368 120.300 0.163 0.000 2.181 109 Y HA -0.305 4.245 4.550 0.000 0.000 0.288 109 Y C 2.741 178.698 175.900 0.096 0.000 1.146 109 Y CA 1.243 59.426 58.100 0.138 0.000 1.164 109 Y CB -0.200 38.318 38.460 0.097 0.000 0.982 109 Y HN 0.083 nan 8.280 nan 0.000 0.515 110 K N 0.492 121.026 120.400 0.224 0.000 2.147 110 K HA -0.231 4.089 4.320 0.000 0.000 0.205 110 K C 2.080 178.725 176.600 0.075 0.000 1.049 110 K CA 1.312 57.679 56.287 0.133 0.000 0.936 110 K CB -0.236 32.331 32.500 0.111 0.000 0.722 110 K HN 0.328 nan 8.250 nan 0.000 0.446 111 M N -0.884 118.749 119.600 0.056 0.000 2.460 111 M HA -0.081 4.399 4.480 0.000 0.000 0.263 111 M C 0.741 176.926 176.300 -0.191 0.000 1.071 111 M CA 1.589 56.849 55.300 -0.067 0.000 1.096 111 M CB 0.290 32.850 32.600 -0.067 0.000 1.408 111 M HN 0.511 nan 8.290 nan 0.000 0.463 112 G N -0.548 108.202 108.800 -0.082 0.000 2.184 112 G HA2 -0.211 3.749 3.960 0.000 0.000 0.206 112 G HA3 -0.211 3.749 3.960 0.000 0.000 0.206 112 G C -0.062 174.797 174.900 -0.069 0.000 0.995 112 G CA -0.639 44.422 45.100 -0.065 0.000 0.651 112 G HN 0.386 nan 8.290 nan 0.000 0.511 113 F N 1.128 121.115 119.950 0.062 0.000 2.572 113 F HA 0.413 4.941 4.527 0.000 0.000 0.370 113 F C 1.884 177.812 175.800 0.213 0.000 1.103 113 F CA 0.906 58.933 58.000 0.044 0.000 1.286 113 F CB 1.256 40.194 39.000 -0.104 0.000 1.105 113 F HN 0.024 nan 8.300 nan 0.000 0.583 114 G N 3.450 112.529 108.800 0.465 0.000 2.572 114 G HA2 0.058 4.018 3.960 0.000 0.000 0.216 114 G HA3 0.058 4.018 3.960 0.000 0.000 0.216 114 G C -0.218 175.143 174.900 0.768 0.000 1.133 114 G CA 0.224 45.655 45.100 0.553 0.000 0.791 114 G HN 0.610 nan 8.290 nan 0.000 0.538 115 F N -2.762 117.475 119.950 0.478 0.000 2.693 115 F HA 0.705 5.232 4.527 0.000 0.000 0.309 115 F C -1.524 174.403 175.800 0.211 0.000 1.129 115 F CA -1.628 56.650 58.000 0.463 0.000 0.948 115 F CB 1.536 40.889 39.000 0.589 0.000 1.315 115 F HN -0.179 nan 8.300 nan 0.000 0.447 116 V N 1.346 121.338 119.914 0.130 0.000 2.531 116 V HA 0.420 4.540 4.120 0.000 0.000 0.301 116 V C -0.929 175.118 176.094 -0.079 0.000 1.034 116 V CA -0.563 61.595 62.300 -0.236 0.000 0.865 116 V CB 1.644 33.158 31.823 -0.515 0.000 0.995 116 V HN 0.871 nan 8.190 nan 0.000 0.424 117 E N 4.458 124.575 120.200 -0.138 0.000 2.151 117 E HA 0.631 4.981 4.350 0.000 0.000 0.275 117 E C -0.756 175.764 176.600 -0.133 0.000 0.936 117 E CA -0.626 55.728 56.400 -0.076 0.000 0.777 117 E CB 1.547 31.289 29.700 0.070 0.000 1.108 117 E HN 0.738 nan 8.360 nan 0.000 0.401 118 I N 1.235 121.725 120.570 -0.134 0.000 2.793 118 I HA 0.920 5.090 4.170 0.000 0.000 0.313 118 I C 0.508 176.552 176.117 -0.123 0.000 0.998 118 I CA -0.203 61.013 61.300 -0.140 0.000 1.140 118 I CB 1.771 39.688 38.000 -0.137 0.000 1.327 118 I HN 0.711 nan 8.210 nan 0.000 0.491 119 G N 2.273 110.979 108.800 -0.156 0.000 2.483 119 G HA2 -0.081 3.879 3.960 0.000 0.000 0.521 119 G HA3 -0.081 3.879 3.960 0.000 0.000 0.521 119 G C -0.686 174.146 174.900 -0.113 0.000 1.278 119 G CA -0.441 44.572 45.100 -0.146 0.000 0.965 119 G HN 0.876 nan 8.290 nan 0.000 0.504 120 S N -0.940 114.718 115.700 -0.070 0.000 2.562 120 S HA 0.476 4.946 4.470 0.000 0.000 0.281 120 S C 0.531 174.970 174.600 -0.268 0.000 1.333 120 S CA -0.100 57.988 58.200 -0.188 0.000 1.052 120 S CB 1.318 64.301 63.200 -0.362 0.000 0.884 120 S HN 1.180 nan 8.310 nan 0.000 0.506 121 V N 3.332 123.098 119.914 -0.246 0.000 2.459 121 V HA 0.505 4.625 4.120 0.000 0.000 0.295 121 V C 0.563 176.506 176.094 -0.253 0.000 1.029 121 V CA -0.897 61.288 62.300 -0.191 0.000 0.874 121 V CB 1.500 33.257 31.823 -0.110 0.000 0.985 121 V HN 1.008 nan 8.190 nan 0.000 0.438 122 T N 2.287 116.712 114.554 -0.215 0.000 2.929 122 T HA 0.453 4.803 4.350 0.000 0.000 0.284 122 T C -1.988 172.639 174.700 -0.122 0.000 1.014 122 T CA -2.071 59.903 62.100 -0.209 0.000 1.051 122 T CB 2.063 70.836 68.868 -0.157 0.000 1.028 122 T HN 0.352 nan 8.240 nan 0.000 0.485 123 P HA -0.077 nan 4.420 nan 0.000 0.214 123 P C 0.273 177.544 177.300 -0.048 0.000 1.163 123 P CA 1.363 64.416 63.100 -0.079 0.000 0.889 123 P CB 0.155 31.806 31.700 -0.082 0.000 0.790 124 K N -1.121 119.256 120.400 -0.039 0.000 2.098 124 K HA 0.400 4.720 4.320 0.000 0.000 0.258 124 K C -2.500 174.095 176.600 -0.008 0.000 0.973 124 K CA -2.875 53.401 56.287 -0.019 0.000 0.898 124 K CB -0.519 31.973 32.500 -0.014 0.000 1.057 124 K HN -0.125 nan 8.250 nan 0.000 0.447 125 P HA 0.018 nan 4.420 nan 0.000 0.269 125 P C -0.841 176.470 177.300 0.019 0.000 1.209 125 P CA 0.104 63.210 63.100 0.010 0.000 0.776 125 P CB 0.399 32.092 31.700 -0.012 0.000 0.876 126 Q N -0.065 119.760 119.800 0.041 0.000 2.435 126 Q HA 0.369 4.709 4.340 0.000 0.000 0.282 126 Q C -0.180 175.863 176.000 0.072 0.000 1.020 126 Q CA -0.743 55.092 55.803 0.053 0.000 0.820 126 Q CB 1.460 30.238 28.738 0.066 0.000 1.436 126 Q HN 0.252 nan 8.270 nan 0.000 0.395 127 E N 0.855 121.095 120.200 0.066 0.000 2.299 127 E HA 0.123 4.473 4.350 0.000 0.000 0.193 127 E C 0.652 177.316 176.600 0.106 0.000 0.998 127 E CA 0.859 57.302 56.400 0.072 0.000 0.851 127 E CB 0.165 29.895 29.700 0.051 0.000 0.795 127 E HN 0.859 nan 8.360 nan 0.000 0.492 128 G N 1.517 110.388 108.800 0.118 0.000 2.693 128 G HA2 -0.231 3.729 3.960 0.000 0.000 0.226 128 G HA3 -0.231 3.729 3.960 0.000 0.000 0.226 128 G C -0.370 174.594 174.900 0.106 0.000 1.354 128 G CA -0.454 44.731 45.100 0.142 0.000 0.873 128 G HN 0.139 nan 8.290 nan 0.000 0.562 129 N N 2.007 120.770 118.700 0.104 0.000 2.444 129 N HA 0.460 5.200 4.740 0.000 0.000 0.255 129 N C -1.808 173.736 175.510 0.056 0.000 1.255 129 N CA -0.423 52.667 53.050 0.066 0.000 0.933 129 N CB 0.324 38.842 38.487 0.050 0.000 1.143 129 N HN 0.520 nan 8.380 nan 0.000 0.453 130 P HA 0.145 nan 4.420 nan 0.000 0.272 130 P C -0.393 176.918 177.300 0.018 0.000 1.230 130 P CA 0.040 63.159 63.100 0.032 0.000 0.788 130 P CB 0.951 32.669 31.700 0.029 0.000 0.949 131 R N 1.523 122.027 120.500 0.006 0.000 2.457 131 R HA 0.458 4.798 4.340 0.000 0.000 0.284 131 R C -1.538 174.761 176.300 -0.002 0.000 1.024 131 R CA -1.523 54.561 56.100 -0.027 0.000 1.025 131 R CB -0.256 30.026 30.300 -0.030 0.000 1.063 131 R HN 0.501 nan 8.270 nan 0.000 0.493 132 P HA 0.132 nan 4.420 nan 0.000 0.275 132 P C -0.575 176.598 177.300 -0.211 0.000 1.228 132 P CA -0.303 62.707 63.100 -0.150 0.000 0.786 132 P CB 0.833 32.463 31.700 -0.117 0.000 0.927 133 R N -0.007 120.199 120.500 -0.490 0.000 2.538 133 R HA 0.399 4.739 4.340 0.000 0.000 0.372 133 R C -0.718 175.154 176.300 -0.713 0.000 0.950 133 R CA -0.341 55.505 56.100 -0.422 0.000 1.168 133 R CB 0.218 30.361 30.300 -0.262 0.000 1.542 133 R HN 0.197 nan 8.270 nan 0.000 0.536 134 V N 1.300 120.558 119.914 -1.093 0.000 2.760 134 V HA 0.598 4.718 4.120 0.000 0.000 0.309 134 V C -1.334 174.086 176.094 -1.124 0.000 1.077 134 V CA -0.735 61.042 62.300 -0.870 0.000 0.910 134 V CB 1.841 33.301 31.823 -0.605 0.000 1.008 134 V HN 0.093 nan 8.190 nan 0.000 0.424 135 F N 1.783 121.649 119.950 -0.140 0.000 2.574 135 F HA 0.635 5.162 4.527 0.000 0.000 0.313 135 F C 0.285 176.036 175.800 -0.082 0.000 1.130 135 F CA -0.785 57.158 58.000 -0.095 0.000 0.936 135 F CB 1.997 40.952 39.000 -0.075 0.000 1.219 135 F HN 0.262 nan 8.300 nan 0.000 0.445 136 R N 2.401 122.954 120.500 0.089 0.000 2.410 136 R HA 0.618 4.958 4.340 0.000 0.000 0.288 136 R C -1.254 175.120 176.300 0.123 0.000 1.051 136 R CA -0.898 55.244 56.100 0.069 0.000 1.021 136 R CB 1.038 31.353 30.300 0.025 0.000 1.032 136 R HN 0.427 nan 8.270 nan 0.000 0.481 137 L N 5.076 126.393 121.223 0.157 0.000 2.502 137 L HA 0.288 4.628 4.340 0.000 0.000 0.247 137 L C -1.918 175.009 176.870 0.095 0.000 1.180 137 L CA -1.686 53.215 54.840 0.101 0.000 0.956 137 L CB 1.377 43.473 42.059 0.062 0.000 1.282 137 L HN 0.399 nan 8.230 nan 0.000 0.470 138 P HA -0.162 nan 4.420 nan 0.000 0.215 138 P C 0.973 178.205 177.300 -0.113 0.000 1.153 138 P CA 1.170 64.288 63.100 0.031 0.000 0.853 138 P CB 0.452 32.191 31.700 0.065 0.000 0.788 139 E N -0.858 119.310 120.200 -0.053 0.000 2.338 139 E HA -0.113 4.237 4.350 0.000 0.000 0.197 139 E C 1.003 177.558 176.600 -0.076 0.000 1.007 139 E CA 0.906 57.273 56.400 -0.057 0.000 0.849 139 E CB -0.530 29.153 29.700 -0.028 0.000 0.774 139 E HN 0.358 nan 8.360 nan 0.000 0.506 140 D N -0.388 119.957 120.400 -0.091 0.000 2.433 140 D HA 0.023 4.664 4.640 0.000 0.000 0.211 140 D C -0.252 175.960 176.300 -0.148 0.000 1.114 140 D CA 0.031 53.981 54.000 -0.083 0.000 0.837 140 D CB 0.383 41.161 40.800 -0.037 0.000 0.984 140 D HN 0.052 nan 8.370 nan 0.000 0.505 141 Q N 0.006 119.602 119.800 -0.339 0.000 2.435 141 Q HA -0.181 4.159 4.340 0.000 0.000 0.312 141 Q C -0.366 175.488 176.000 -0.243 0.000 1.333 141 Q CA 0.567 55.943 55.803 -0.712 0.000 0.883 141 Q CB -1.364 27.107 28.738 -0.445 0.000 1.170 141 Q HN 0.345 nan 8.270 nan 0.000 0.443 142 A N -0.567 122.269 122.820 0.028 0.000 2.527 142 A HA 0.903 5.223 4.320 0.000 0.000 0.293 142 A C -0.751 176.969 177.584 0.226 0.000 1.117 142 A CA -0.514 51.614 52.037 0.152 0.000 0.723 142 A CB 2.124 21.154 19.000 0.051 0.000 1.313 142 A HN 0.111 nan 8.150 nan 0.000 0.411 143 V N 0.832 120.800 119.914 0.090 0.000 2.876 143 V HA 0.507 4.627 4.120 0.000 0.000 0.312 143 V C -0.867 175.228 176.094 0.002 0.000 1.085 143 V CA -0.271 62.033 62.300 0.007 0.000 0.945 143 V CB 1.904 33.644 31.823 -0.138 0.000 1.017 143 V HN 0.737 nan 8.190 nan 0.000 0.428 144 I N 3.877 124.472 120.570 0.042 0.000 2.433 144 I HA 0.486 4.657 4.170 0.000 0.000 0.292 144 I C -0.470 175.683 176.117 0.060 0.000 1.001 144 I CA -0.361 60.977 61.300 0.063 0.000 1.119 144 I CB 1.901 39.962 38.000 0.100 0.000 1.289 144 I HN 0.903 nan 8.210 nan 0.000 0.438 145 N N 4.838 123.536 118.700 -0.005 0.000 2.240 145 N HA 0.643 5.383 4.740 0.000 0.000 0.302 145 N C -0.736 174.759 175.510 -0.026 0.000 1.106 145 N CA -1.070 51.931 53.050 -0.082 0.000 0.778 145 N CB 1.553 39.968 38.487 -0.120 0.000 1.431 145 N HN 0.587 nan 8.380 nan 0.000 0.479 146 R N 0.998 121.459 120.500 -0.065 0.000 2.718 146 R HA 0.245 4.585 4.340 0.000 0.000 0.307 146 R C -0.542 175.752 176.300 -0.010 0.000 1.244 146 R CA -0.683 55.410 56.100 -0.011 0.000 1.348 146 R CB -0.868 29.452 30.300 0.033 0.000 1.304 146 R HN 0.564 nan 8.270 nan 0.000 0.663 147 Y N 1.611 121.914 120.300 0.005 0.000 2.151 147 Y HA -0.176 4.374 4.550 0.000 0.000 0.284 147 Y C 1.914 177.832 175.900 0.031 0.000 1.166 147 Y CA 1.958 60.075 58.100 0.027 0.000 1.163 147 Y CB 0.153 38.653 38.460 0.066 0.000 0.974 147 Y HN 0.738 nan 8.280 nan 0.000 0.511 148 G N -0.761 108.132 108.800 0.155 0.000 2.212 148 G HA2 -0.284 3.676 3.960 0.000 0.000 0.255 148 G HA3 -0.284 3.676 3.960 0.000 0.000 0.255 148 G C -0.055 174.944 174.900 0.165 0.000 1.062 148 G CA -0.178 44.950 45.100 0.048 0.000 0.815 148 G HN 0.327 nan 8.290 nan 0.000 0.497 149 F N -0.968 119.044 119.950 0.104 0.000 3.040 149 F HA -0.180 4.347 4.527 0.000 0.000 0.298 149 F C 1.025 176.857 175.800 0.052 0.000 0.948 149 F CA 0.242 58.276 58.000 0.056 0.000 1.022 149 F CB -2.575 36.451 39.000 0.043 0.000 1.023 149 F HN 0.846 nan 8.300 nan 0.000 0.742 150 N N 0.508 119.348 118.700 0.233 0.000 2.447 150 N HA 0.257 4.997 4.740 0.000 0.000 0.263 150 N C 0.084 175.703 175.510 0.182 0.000 1.226 150 N CA 0.604 53.754 53.050 0.167 0.000 0.906 150 N CB 1.875 40.441 38.487 0.132 0.000 1.060 150 N HN 0.337 nan 8.380 nan 0.000 0.468 151 S N 1.075 116.881 115.700 0.177 0.000 2.543 151 S HA 0.213 4.683 4.470 0.000 0.000 0.271 151 S C 0.212 174.899 174.600 0.146 0.000 1.148 151 S CA -0.739 57.571 58.200 0.182 0.000 0.914 151 S CB 0.727 63.960 63.200 0.054 0.000 1.096 151 S HN 0.642 nan 8.310 nan 0.000 0.471 152 H N 2.525 121.558 119.070 -0.063 0.000 2.521 152 H HA 0.231 4.787 4.556 0.000 0.000 0.286 152 H C 1.337 176.628 175.328 -0.061 0.000 1.034 152 H CA 0.333 56.288 56.048 -0.156 0.000 1.278 152 H CB 0.192 29.819 29.762 -0.224 0.000 1.386 152 H HN 1.005 nan 8.280 nan 0.000 0.567 153 G N -0.190 108.664 108.800 0.091 0.000 2.699 153 G HA2 -0.228 3.732 3.960 0.000 0.000 0.686 153 G HA3 -0.228 3.732 3.960 0.000 0.000 0.686 153 G C 0.428 175.337 174.900 0.015 0.000 1.301 153 G CA -0.293 44.822 45.100 0.025 0.000 0.816 153 G HN 0.179 nan 8.290 nan 0.000 0.595 154 L N 0.533 121.745 121.223 -0.019 0.000 2.013 154 L HA -0.144 4.196 4.340 0.000 0.000 0.212 154 L C 3.201 180.051 176.870 -0.034 0.000 1.073 154 L CA 2.468 57.287 54.840 -0.034 0.000 0.753 154 L CB -0.691 41.339 42.059 -0.048 0.000 0.890 154 L HN 0.762 nan 8.230 nan 0.000 0.432 155 S N -0.518 115.174 115.700 -0.013 0.000 2.356 155 S HA -0.163 4.307 4.470 0.000 0.000 0.223 155 S C 1.961 176.611 174.600 0.084 0.000 1.032 155 S CA 1.493 59.698 58.200 0.008 0.000 1.005 155 S CB -0.166 63.070 63.200 0.061 0.000 0.867 155 S HN 0.184 nan 8.310 nan 0.000 0.449 156 V N 1.367 121.336 119.914 0.091 0.000 2.343 156 V HA -0.112 4.008 4.120 0.000 0.000 0.247 156 V C 2.466 178.619 176.094 0.099 0.000 1.051 156 V CA 1.795 64.161 62.300 0.111 0.000 1.036 156 V CB -0.599 31.260 31.823 0.059 0.000 0.654 156 V HN 0.432 nan 8.190 nan 0.000 0.451 157 V N -0.020 119.931 119.914 0.062 0.000 2.427 157 V HA -0.248 3.872 4.120 0.000 0.000 0.248 157 V C 2.476 178.564 176.094 -0.010 0.000 1.051 157 V CA 2.143 64.464 62.300 0.035 0.000 1.048 157 V CB -0.585 31.245 31.823 0.013 0.000 0.666 157 V HN 0.697 nan 8.190 nan 0.000 0.456 158 E N 0.165 120.323 120.200 -0.070 0.000 2.058 158 E HA -0.299 4.052 4.350 0.000 0.000 0.194 158 E C 2.097 178.593 176.600 -0.172 0.000 0.997 158 E CA 2.216 58.519 56.400 -0.160 0.000 0.801 158 E CB -0.207 29.328 29.700 -0.274 0.000 0.746 158 E HN 0.801 nan 8.360 nan 0.000 0.450 159 H N -0.450 118.619 119.070 -0.003 0.000 2.389 159 H HA 0.008 4.564 4.556 0.000 0.000 0.299 159 H C 2.353 177.683 175.328 0.003 0.000 1.081 159 H CA 1.526 57.572 56.048 -0.003 0.000 1.345 159 H CB -0.013 29.744 29.762 -0.008 0.000 1.393 159 H HN 0.061 nan 8.280 nan 0.000 0.520 160 R N 0.620 121.188 120.500 0.113 0.000 2.091 160 R HA -0.119 4.222 4.340 0.000 0.000 0.238 160 R C 1.890 178.217 176.300 0.045 0.000 1.136 160 R CA 1.270 57.413 56.100 0.072 0.000 0.959 160 R CB -0.172 30.169 30.300 0.067 0.000 0.856 160 R HN 0.300 nan 8.270 nan 0.000 0.437 161 L N -0.330 120.907 121.223 0.024 0.000 2.109 161 L HA -0.091 4.250 4.340 0.000 0.000 0.207 161 L C 2.593 179.475 176.870 0.020 0.000 1.086 161 L CA 1.099 55.948 54.840 0.014 0.000 0.760 161 L CB -0.367 41.688 42.059 -0.007 0.000 0.910 161 L HN 0.192 nan 8.230 nan 0.000 0.437 162 R N 0.167 120.677 120.500 0.016 0.000 2.127 162 R HA -0.145 4.195 4.340 0.000 0.000 0.238 162 R C 2.332 178.657 176.300 0.042 0.000 1.134 162 R CA 1.274 57.389 56.100 0.025 0.000 0.975 162 R CB -0.406 29.908 30.300 0.024 0.000 0.865 162 R HN 0.337 nan 8.270 nan 0.000 0.447 163 A N 1.600 124.450 122.820 0.050 0.000 2.125 163 A HA -0.165 4.155 4.320 0.000 0.000 0.219 163 A C 1.613 179.220 177.584 0.037 0.000 1.156 163 A CA 1.300 53.364 52.037 0.045 0.000 0.671 163 A CB -0.222 18.805 19.000 0.045 0.000 0.794 163 A HN 0.434 nan 8.150 nan 0.000 0.459 164 R N -1.352 119.171 120.500 0.038 0.000 2.616 164 R HA 0.311 4.651 4.340 0.000 0.000 0.427 164 R C 1.220 177.542 176.300 0.037 0.000 1.030 164 R CA 0.277 56.400 56.100 0.038 0.000 1.133 164 R CB -0.522 29.806 30.300 0.047 0.000 1.444 164 R HN 0.429 nan 8.270 nan 0.000 0.578 165 Q N 1.141 120.962 119.800 0.035 0.000 2.061 165 Q HA -0.182 4.159 4.340 0.000 0.000 0.204 165 Q C 1.278 177.297 176.000 0.031 0.000 0.984 165 Q CA 1.835 57.661 55.803 0.038 0.000 0.846 165 Q CB 0.202 28.968 28.738 0.047 0.000 0.902 165 Q HN 0.347 nan 8.270 nan 0.000 0.421 166 Q N 0.314 120.131 119.800 0.028 0.000 2.172 166 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 166 Q C 1.760 177.765 176.000 0.008 0.000 0.964 166 Q CA 1.107 56.920 55.803 0.018 0.000 0.855 166 Q CB -0.247 28.502 28.738 0.018 0.000 0.918 166 Q HN 0.358 nan 8.270 nan 0.000 0.444 167 K N 0.723 121.131 120.400 0.013 0.000 2.032 167 K HA -0.238 4.082 4.320 0.000 0.000 0.209 167 K C 2.033 178.632 176.600 -0.003 0.000 1.048 167 K CA 1.546 57.838 56.287 0.009 0.000 0.927 167 K CB 0.159 32.674 32.500 0.024 0.000 0.712 167 K HN -0.015 nan 8.250 nan 0.000 0.441 168 Q N 0.563 120.370 119.800 0.011 0.000 2.124 168 Q HA -0.081 4.260 4.340 0.000 0.000 0.202 168 Q C 1.726 177.705 176.000 -0.034 0.000 0.977 168 Q CA 1.971 57.774 55.803 0.001 0.000 0.850 168 Q CB -0.380 28.375 28.738 0.029 0.000 0.901 168 Q HN 0.411 nan 8.270 nan 0.000 0.429 169 A N 0.456 123.264 122.820 -0.021 0.000 1.940 169 A HA -0.227 4.093 4.320 0.000 0.000 0.219 169 A C 1.959 179.519 177.584 -0.041 0.000 1.176 169 A CA 1.795 53.815 52.037 -0.029 0.000 0.631 169 A CB -0.433 18.556 19.000 -0.018 0.000 0.814 169 A HN 0.407 nan 8.150 nan 0.000 0.446 170 K N -0.523 119.853 120.400 -0.040 0.000 2.057 170 K HA 0.025 4.345 4.320 0.000 0.000 0.206 170 K C 1.872 178.423 176.600 -0.082 0.000 1.050 170 K CA 1.203 57.461 56.287 -0.048 0.000 0.935 170 K CB -0.369 32.110 32.500 -0.036 0.000 0.715 170 K HN 0.440 nan 8.250 nan 0.000 0.439 171 L N 0.790 121.943 121.223 -0.117 0.000 2.012 171 L HA -0.210 4.130 4.340 0.000 0.000 0.210 171 L C 2.472 179.211 176.870 -0.217 0.000 1.073 171 L CA 1.407 56.117 54.840 -0.216 0.000 0.748 171 L CB -0.781 41.070 42.059 -0.346 0.000 0.891 171 L HN 0.216 nan 8.230 nan 0.000 0.431 172 T N -1.058 113.395 114.554 -0.168 0.000 2.684 172 T HA -0.278 4.072 4.350 0.000 0.000 0.267 172 T C 1.779 176.424 174.700 -0.093 0.000 1.036 172 T CA 1.666 63.672 62.100 -0.156 0.000 1.148 172 T CB -0.215 68.573 68.868 -0.133 0.000 0.863 172 T HN 0.369 nan 8.240 nan 0.000 0.436 173 E N 0.597 120.762 120.200 -0.059 0.000 2.130 173 E HA -0.204 4.146 4.350 0.000 0.000 0.196 173 E C 1.079 177.651 176.600 -0.046 0.000 0.998 173 E CA 1.228 57.606 56.400 -0.036 0.000 0.806 173 E CB -0.013 29.668 29.700 -0.033 0.000 0.738 173 E HN 0.316 nan 8.360 nan 0.000 0.459 174 D N -1.315 119.042 120.400 -0.071 0.000 2.328 174 D HA 0.085 4.725 4.640 0.000 0.000 0.226 174 D C 0.666 176.926 176.300 -0.067 0.000 1.066 174 D CA 0.874 54.835 54.000 -0.065 0.000 0.861 174 D CB 0.646 41.400 40.800 -0.076 0.000 0.912 174 D HN 0.370 nan 8.370 nan 0.000 0.521 175 G N 0.771 109.519 108.800 -0.087 0.000 2.140 175 G HA2 -0.237 3.723 3.960 0.000 0.000 0.211 175 G HA3 -0.237 3.723 3.960 0.000 0.000 0.211 175 G C 0.153 174.987 174.900 -0.111 0.000 1.013 175 G CA -0.333 44.717 45.100 -0.085 0.000 0.705 175 G HN 0.347 nan 8.290 nan 0.000 0.508 176 L N 0.631 121.738 121.223 -0.193 0.000 2.556 176 L HA 0.330 4.670 4.340 0.000 0.000 0.243 176 L C -2.333 174.418 176.870 -0.199 0.000 1.331 176 L CA -1.990 52.720 54.840 -0.217 0.000 0.927 176 L CB 1.647 43.372 42.059 -0.556 0.000 1.219 176 L HN -0.083 nan 8.230 nan 0.000 0.490 177 P HA 0.180 nan 4.420 nan 0.000 0.274 177 P C -0.909 176.481 177.300 0.151 0.000 1.246 177 P CA -0.417 62.572 63.100 -0.185 0.000 0.795 177 P CB 1.000 32.364 31.700 -0.561 0.000 1.006 178 L N 0.982 122.221 121.223 0.026 0.000 2.356 178 L HA 0.754 5.094 4.340 0.000 0.000 0.277 178 L C -0.170 176.543 176.870 -0.262 0.000 0.996 178 L CA -0.189 54.660 54.840 0.016 0.000 0.822 178 L CB 1.094 43.166 42.059 0.022 0.000 1.256 178 L HN 0.459 nan 8.230 nan 0.000 0.413 179 G N 3.921 112.451 108.800 -0.451 0.000 2.400 179 G HA2 0.621 4.581 3.960 0.000 0.000 0.333 179 G HA3 0.621 4.581 3.960 0.000 0.000 0.333 179 G C -1.582 173.033 174.900 -0.474 0.000 1.143 179 G CA -0.523 43.908 45.100 -1.115 0.000 0.914 179 G HN 0.501 nan 8.290 nan 0.000 0.480 180 V N 2.586 122.276 119.914 -0.373 0.000 2.444 180 V HA 0.323 4.443 4.120 0.000 0.000 0.294 180 V C -0.437 175.612 176.094 -0.074 0.000 1.022 180 V CA -1.265 60.937 62.300 -0.164 0.000 0.850 180 V CB 1.561 33.316 31.823 -0.114 0.000 0.992 180 V HN 0.752 nan 8.190 nan 0.000 0.426 181 N N 5.249 123.925 118.700 -0.040 0.000 2.422 181 N HA 0.460 5.200 4.740 0.000 0.000 0.266 181 N C -1.054 174.447 175.510 -0.015 0.000 1.007 181 N CA -0.301 52.761 53.050 0.019 0.000 0.941 181 N CB 1.320 39.832 38.487 0.042 0.000 1.115 181 N HN 0.611 nan 8.380 nan 0.000 0.492 182 L N 2.254 123.501 121.223 0.041 0.000 2.295 182 L HA 0.587 4.928 4.340 0.000 0.000 0.285 182 L C 1.184 178.074 176.870 0.033 0.000 1.035 182 L CA -0.806 54.053 54.840 0.032 0.000 0.806 182 L CB 1.702 43.853 42.059 0.153 0.000 1.214 182 L HN 0.489 nan 8.230 nan 0.000 0.426 183 G N 2.047 110.676 108.800 -0.285 0.000 3.016 183 G HA2 0.703 4.663 3.960 0.000 0.000 0.270 183 G HA3 0.703 4.663 3.960 0.000 0.000 0.270 183 G C -1.327 173.239 174.900 -0.557 0.000 1.352 183 G CA -0.584 44.176 45.100 -0.566 0.000 1.060 183 G HN 0.628 nan 8.290 nan 0.000 0.538 184 K N -1.076 119.083 120.400 -0.401 0.000 2.385 184 K HA 0.497 4.817 4.320 0.000 0.000 0.248 184 K C -0.742 175.828 176.600 -0.051 0.000 0.955 184 K CA -0.886 55.213 56.287 -0.314 0.000 0.816 184 K CB 1.866 34.157 32.500 -0.347 0.000 1.250 184 K HN 0.374 nan 8.250 nan 0.000 0.434 185 N N 1.181 119.849 118.700 -0.054 0.000 2.508 185 N HA -0.002 4.738 4.740 0.000 0.000 0.264 185 N C 0.489 176.039 175.510 0.066 0.000 1.216 185 N CA -0.311 52.753 53.050 0.024 0.000 0.943 185 N CB 1.076 39.560 38.487 -0.005 0.000 1.113 185 N HN 0.701 nan 8.380 nan 0.000 0.447 186 K N 0.458 120.914 120.400 0.093 0.000 2.074 186 K HA -0.180 4.140 4.320 0.000 0.000 0.209 186 K C 1.037 177.665 176.600 0.047 0.000 1.048 186 K CA 1.687 58.021 56.287 0.077 0.000 0.926 186 K CB -0.086 32.457 32.500 0.071 0.000 0.713 186 K HN 0.774 nan 8.250 nan 0.000 0.444 187 T N -1.246 113.328 114.554 0.035 0.000 3.122 187 T HA 0.081 4.431 4.350 0.000 0.000 0.250 187 T C 0.547 175.257 174.700 0.016 0.000 1.067 187 T CA -0.066 62.048 62.100 0.023 0.000 0.966 187 T CB 0.021 68.900 68.868 0.019 0.000 1.002 187 T HN 0.206 nan 8.240 nan 0.000 0.542 188 S N 1.549 117.257 115.700 0.012 0.000 2.549 188 S HA 0.219 4.689 4.470 0.000 0.000 0.283 188 S C 1.392 175.998 174.600 0.010 0.000 1.320 188 S CA -0.300 57.901 58.200 0.001 0.000 1.058 188 S CB 1.125 64.313 63.200 -0.020 0.000 0.882 188 S HN 0.571 nan 8.310 nan 0.000 0.498 189 V N -1.423 118.497 119.914 0.009 0.000 3.506 189 V HA 0.325 4.445 4.120 0.000 0.000 0.263 189 V C 0.339 176.445 176.094 0.020 0.000 1.203 189 V CA 0.768 63.077 62.300 0.015 0.000 1.133 189 V CB -0.691 31.139 31.823 0.013 0.000 0.802 189 V HN 0.853 nan 8.190 nan 0.000 0.459 190 D N 0.155 120.565 120.400 0.016 0.000 2.346 190 D HA 0.628 5.268 4.640 0.000 0.000 0.255 190 D C 0.966 177.281 176.300 0.026 0.000 1.276 190 D CA 0.343 54.358 54.000 0.025 0.000 0.941 190 D CB 1.569 42.381 40.800 0.020 0.000 1.199 190 D HN 0.139 nan 8.370 nan 0.000 0.537 191 A N 2.998 125.850 122.820 0.053 0.000 1.883 191 A HA -0.059 4.261 4.320 0.000 0.000 0.217 191 A C 2.154 179.828 177.584 0.149 0.000 1.186 191 A CA 2.018 54.100 52.037 0.076 0.000 0.624 191 A CB -0.538 18.563 19.000 0.169 0.000 0.822 191 A HN 0.582 nan 8.150 nan 0.000 0.444 192 A N -0.505 122.425 122.820 0.184 0.000 1.908 192 A HA -0.199 4.121 4.320 0.000 0.000 0.218 192 A C 1.982 179.655 177.584 0.148 0.000 1.181 192 A CA 2.300 54.463 52.037 0.210 0.000 0.627 192 A CB -0.489 18.585 19.000 0.123 0.000 0.818 192 A HN 0.546 nan 8.150 nan 0.000 0.445 193 E N 0.441 120.684 120.200 0.072 0.000 2.106 193 E HA -0.152 4.199 4.350 0.000 0.000 0.192 193 E C 1.380 177.980 176.600 -0.001 0.000 0.984 193 E CA 1.530 57.951 56.400 0.035 0.000 0.806 193 E CB -0.369 29.342 29.700 0.018 0.000 0.750 193 E HN 0.552 nan 8.360 nan 0.000 0.458 194 D N -0.774 119.590 120.400 -0.061 0.000 2.106 194 D HA -0.196 4.444 4.640 0.000 0.000 0.191 194 D C 1.706 177.898 176.300 -0.180 0.000 0.997 194 D CA 1.467 55.363 54.000 -0.174 0.000 0.834 194 D CB -0.413 40.196 40.800 -0.318 0.000 0.956 194 D HN 0.360 nan 8.370 nan 0.000 0.448 195 Y N 0.678 120.979 120.300 0.003 0.000 2.200 195 Y HA -0.098 4.452 4.550 0.000 0.000 0.290 195 Y C 2.467 178.366 175.900 -0.001 0.000 1.137 195 Y CA 0.889 58.989 58.100 -0.000 0.000 1.163 195 Y CB -0.350 38.119 38.460 0.014 0.000 0.988 195 Y HN -0.065 nan 8.280 nan 0.000 0.518 196 A N 0.382 123.292 122.820 0.149 0.000 1.908 196 A HA -0.246 4.074 4.320 0.000 0.000 0.218 196 A C 2.018 179.628 177.584 0.043 0.000 1.181 196 A CA 1.971 54.058 52.037 0.083 0.000 0.627 196 A CB -0.632 18.406 19.000 0.064 0.000 0.818 196 A HN 0.523 nan 8.150 nan 0.000 0.445 197 E N -0.827 119.384 120.200 0.018 0.000 2.077 197 E HA -0.141 4.209 4.350 0.000 0.000 0.193 197 E C 2.186 178.781 176.600 -0.009 0.000 0.989 197 E CA 0.824 57.221 56.400 -0.006 0.000 0.800 197 E CB -0.404 29.279 29.700 -0.027 0.000 0.746 197 E HN 0.622 nan 8.360 nan 0.000 0.452 198 G N 0.937 109.734 108.800 -0.005 0.000 2.440 198 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 198 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 198 G C 1.744 176.653 174.900 0.015 0.000 1.154 198 G CA 0.919 46.017 45.100 -0.003 0.000 0.767 198 G HN 0.129 nan 8.290 nan 0.000 0.552 199 V N 0.700 120.639 119.914 0.042 0.000 2.295 199 V HA -0.196 3.924 4.120 0.000 0.000 0.246 199 V C 2.939 179.045 176.094 0.020 0.000 1.049 199 V CA 2.126 64.450 62.300 0.040 0.000 1.024 199 V CB -0.495 31.361 31.823 0.055 0.000 0.648 199 V HN 0.325 nan 8.190 nan 0.000 0.447 200 R N -0.555 119.951 120.500 0.011 0.000 2.096 200 R HA -0.096 4.244 4.340 0.000 0.000 0.235 200 R C 2.172 178.458 176.300 -0.024 0.000 1.127 200 R CA 1.446 57.544 56.100 -0.004 0.000 0.968 200 R CB -0.399 29.897 30.300 -0.006 0.000 0.861 200 R HN 0.430 nan 8.270 nan 0.000 0.440 201 V N 0.642 120.538 119.914 -0.030 0.000 2.426 201 V HA -0.081 4.039 4.120 0.000 0.000 0.242 201 V C 2.009 178.069 176.094 -0.057 0.000 1.036 201 V CA 1.314 63.582 62.300 -0.054 0.000 1.044 201 V CB -0.108 31.680 31.823 -0.059 0.000 0.688 201 V HN 0.246 nan 8.190 nan 0.000 0.462 202 L N -0.174 121.026 121.223 -0.039 0.000 2.556 202 L HA 0.264 4.604 4.340 0.000 0.000 0.226 202 L C 2.492 179.353 176.870 -0.014 0.000 1.089 202 L CA 0.828 55.646 54.840 -0.036 0.000 0.864 202 L CB -0.681 41.353 42.059 -0.041 0.000 1.067 202 L HN 0.430 nan 8.230 nan 0.000 0.477 203 G N 2.022 110.823 108.800 0.002 0.000 2.513 203 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 203 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 203 G C -0.824 174.108 174.900 0.052 0.000 1.160 203 G CA 0.817 45.934 45.100 0.028 0.000 0.767 203 G HN 0.297 nan 8.290 nan 0.000 0.571 204 P HA 0.041 nan 4.420 nan 0.000 0.228 204 P C 1.370 178.774 177.300 0.173 0.000 1.151 204 P CA 0.708 63.873 63.100 0.109 0.000 0.770 204 P CB -0.012 31.634 31.700 -0.090 0.000 0.786 205 L N -2.802 118.461 121.223 0.066 0.000 2.693 205 L HA 0.307 4.647 4.340 0.000 0.000 0.235 205 L C 0.925 177.803 176.870 0.013 0.000 1.127 205 L CA -0.302 54.565 54.840 0.046 0.000 0.914 205 L CB 0.059 42.119 42.059 0.002 0.000 1.193 205 L HN -0.169 nan 8.230 nan 0.000 0.502 206 A N -0.923 121.900 122.820 0.006 0.000 2.340 206 A HA 0.386 4.706 4.320 0.000 0.000 0.331 206 A C 0.113 177.677 177.584 -0.033 0.000 1.140 206 A CA -0.553 51.454 52.037 -0.049 0.000 0.801 206 A CB 0.825 19.780 19.000 -0.075 0.000 1.234 206 A HN 0.031 nan 8.150 nan 0.000 0.469 207 D N -0.281 120.056 120.400 -0.105 0.000 2.162 207 D HA 0.052 4.692 4.640 0.000 0.000 0.203 207 D C -0.062 176.310 176.300 0.120 0.000 0.967 207 D CA 2.095 56.032 54.000 -0.106 0.000 0.840 207 D CB 0.029 40.562 40.800 -0.444 0.000 0.972 207 D HN 0.670 nan 8.370 nan 0.000 0.482 208 Y N -1.267 119.053 120.300 0.032 0.000 2.562 208 Y HA 0.596 5.146 4.550 0.000 0.000 0.345 208 Y C -1.396 174.544 175.900 0.066 0.000 1.045 208 Y CA -1.300 56.843 58.100 0.073 0.000 1.028 208 Y CB 0.958 39.478 38.460 0.100 0.000 1.297 208 Y HN -0.341 nan 8.280 nan 0.000 0.463 209 L N 3.436 124.792 121.223 0.222 0.000 2.334 209 L HA 0.788 5.128 4.340 0.000 0.000 0.273 209 L C -0.975 176.036 176.870 0.236 0.000 1.013 209 L CA -1.501 53.421 54.840 0.137 0.000 0.816 209 L CB 2.114 44.228 42.059 0.092 0.000 1.278 209 L HN 0.610 nan 8.230 nan 0.000 0.431 210 V N 2.671 122.691 119.914 0.178 0.000 2.409 210 V HA 0.289 4.410 4.120 0.000 0.000 0.291 210 V C -0.083 176.070 176.094 0.100 0.000 1.020 210 V CA -0.738 61.664 62.300 0.170 0.000 0.848 210 V CB 1.878 33.828 31.823 0.210 0.000 0.990 210 V HN 0.390 nan 8.190 nan 0.000 0.430 211 V N 4.205 124.137 119.914 0.031 0.000 2.356 211 V HA 0.220 4.340 4.120 0.000 0.000 0.258 211 V C 0.524 176.591 176.094 -0.046 0.000 1.065 211 V CA -0.321 61.921 62.300 -0.098 0.000 0.935 211 V CB 0.774 32.441 31.823 -0.260 0.000 1.061 211 V HN 0.865 nan 8.190 nan 0.000 0.484 212 N N 4.704 123.457 118.700 0.089 0.000 2.555 212 N HA 0.100 4.840 4.740 0.000 0.000 0.244 212 N C 0.496 176.134 175.510 0.214 0.000 1.114 212 N CA -0.289 52.871 53.050 0.184 0.000 0.963 212 N CB 1.273 39.935 38.487 0.293 0.000 1.276 212 N HN 0.533 nan 8.380 nan 0.000 0.510 213 V N 1.085 121.051 119.914 0.088 0.000 3.331 213 V HA 0.234 4.354 4.120 0.000 0.000 0.332 213 V C 0.894 177.053 176.094 0.107 0.000 1.341 213 V CA 0.596 62.953 62.300 0.095 0.000 1.218 213 V CB -0.681 31.142 31.823 -0.001 0.000 1.152 213 V HN 0.553 nan 8.190 nan 0.000 0.445 214 S N -2.077 113.699 115.700 0.127 0.000 2.733 214 S HA 0.249 4.719 4.470 0.000 0.000 0.247 214 S C 0.782 175.422 174.600 0.067 0.000 1.043 214 S CA 0.377 58.628 58.200 0.085 0.000 1.066 214 S CB 0.078 63.322 63.200 0.073 0.000 1.045 214 S HN 0.494 nan 8.310 nan 0.000 0.586 215 S N 3.660 119.399 115.700 0.064 0.000 2.544 215 S HA 0.205 4.676 4.470 0.000 0.000 0.290 215 S C -1.483 173.075 174.600 -0.070 0.000 1.276 215 S CA -0.873 57.295 58.200 -0.054 0.000 1.075 215 S CB 0.636 63.654 63.200 -0.303 0.000 0.849 215 S HN 0.194 nan 8.310 nan 0.000 0.494 216 P HA -0.037 nan 4.420 nan 0.000 0.221 216 P C 0.264 177.519 177.300 -0.076 0.000 1.145 216 P CA 1.014 64.086 63.100 -0.047 0.000 0.795 216 P CB 0.085 31.768 31.700 -0.028 0.000 0.775 217 N N -2.427 116.186 118.700 -0.146 0.000 2.200 217 N HA 0.056 4.797 4.740 0.000 0.000 0.224 217 N C -0.118 175.277 175.510 -0.191 0.000 1.179 217 N CA 0.373 53.335 53.050 -0.148 0.000 0.877 217 N CB 0.711 39.118 38.487 -0.132 0.000 1.072 217 N HN 0.041 nan 8.380 nan 0.000 0.519 218 T N -0.001 114.428 114.554 -0.208 0.000 2.840 218 T HA 0.613 4.963 4.350 0.000 0.000 0.287 218 T C -0.676 173.994 174.700 -0.050 0.000 0.991 218 T CA -0.573 61.445 62.100 -0.137 0.000 0.964 218 T CB 1.046 69.804 68.868 -0.184 0.000 0.954 218 T HN 0.152 nan 8.240 nan 0.000 0.438 219 A N 2.881 125.691 122.820 -0.017 0.000 2.511 219 A HA 0.547 4.867 4.320 0.000 0.000 0.242 219 A C 1.672 179.267 177.584 0.020 0.000 1.069 219 A CA 0.663 52.700 52.037 0.001 0.000 0.763 219 A CB -0.811 18.192 19.000 0.006 0.000 1.001 219 A HN 2.100 nan 8.150 nan 0.000 0.498 220 G N 0.985 109.799 108.800 0.023 0.000 2.320 220 G HA2 -0.290 3.670 3.960 0.000 0.000 0.242 220 G HA3 -0.290 3.670 3.960 0.000 0.000 0.242 220 G C 1.012 175.945 174.900 0.055 0.000 1.033 220 G CA 0.851 45.974 45.100 0.039 0.000 0.620 220 G HN 1.451 nan 8.290 nan 0.000 0.517 221 L N 0.923 122.182 121.223 0.059 0.000 2.012 221 L HA 0.124 4.464 4.340 0.000 0.000 0.210 221 L C 2.850 179.775 176.870 0.092 0.000 1.073 221 L CA 2.969 57.870 54.840 0.102 0.000 0.748 221 L CB -0.395 41.730 42.059 0.110 0.000 0.891 221 L HN 0.407 nan 8.230 nan 0.000 0.431 222 R N -1.174 119.360 120.500 0.057 0.000 2.148 222 R HA -0.067 4.273 4.340 0.000 0.000 0.227 222 R C 2.202 178.526 176.300 0.040 0.000 1.103 222 R CA 1.121 57.249 56.100 0.046 0.000 0.983 222 R CB -0.409 29.909 30.300 0.030 0.000 0.874 222 R HN 0.357 nan 8.270 nan 0.000 0.451 223 S N 1.451 117.175 115.700 0.040 0.000 2.440 223 S HA -0.112 4.358 4.470 0.000 0.000 0.240 223 S C 1.684 176.309 174.600 0.042 0.000 1.014 223 S CA 0.973 59.195 58.200 0.037 0.000 0.980 223 S CB -0.235 62.986 63.200 0.035 0.000 0.775 223 S HN 0.280 nan 8.310 nan 0.000 0.499 224 L N 0.882 122.139 121.223 0.057 0.000 2.549 224 L HA -0.113 4.228 4.340 0.000 0.000 0.230 224 L C 2.289 179.172 176.870 0.022 0.000 1.162 224 L CA 0.853 55.723 54.840 0.050 0.000 0.834 224 L CB -0.573 41.533 42.059 0.078 0.000 0.947 224 L HN 0.348 nan 8.230 nan 0.000 0.452 225 Q N -0.020 119.794 119.800 0.023 0.000 2.389 225 Q HA 0.085 4.425 4.340 0.000 0.000 0.204 225 Q C 1.385 177.391 176.000 0.011 0.000 0.944 225 Q CA 0.295 56.105 55.803 0.013 0.000 0.908 225 Q CB 0.190 28.939 28.738 0.018 0.000 1.002 225 Q HN 0.547 nan 8.270 nan 0.000 0.493 226 G N 0.411 109.219 108.800 0.014 0.000 2.621 226 G HA2 0.019 3.979 3.960 0.000 0.000 0.271 226 G HA3 0.019 3.979 3.960 0.000 0.000 0.271 226 G C 0.173 175.078 174.900 0.009 0.000 1.236 226 G CA -0.351 44.755 45.100 0.011 0.000 0.958 226 G HN 0.031 nan 8.290 nan 0.000 0.512 227 K N -0.518 119.886 120.400 0.008 0.000 1.991 227 K HA 0.065 4.385 4.320 0.000 0.000 0.208 227 K C 2.775 179.378 176.600 0.005 0.000 1.038 227 K CA 1.120 57.410 56.287 0.005 0.000 0.943 227 K CB -0.317 32.186 32.500 0.004 0.000 0.736 227 K HN 0.410 nan 8.250 nan 0.000 0.440 228 A N 1.070 123.895 122.820 0.007 0.000 1.969 228 A HA -0.190 4.130 4.320 0.000 0.000 0.218 228 A C 1.974 179.565 177.584 0.011 0.000 1.169 228 A CA 1.773 53.815 52.037 0.008 0.000 0.635 228 A CB -0.496 18.509 19.000 0.009 0.000 0.810 228 A HN 0.605 nan 8.150 nan 0.000 0.445 229 E N -0.569 119.639 120.200 0.014 0.000 2.107 229 E HA -0.143 4.208 4.350 0.000 0.000 0.191 229 E C 1.892 178.501 176.600 0.015 0.000 0.982 229 E CA 1.056 57.468 56.400 0.019 0.000 0.809 229 E CB -0.170 29.544 29.700 0.025 0.000 0.756 229 E HN 0.445 nan 8.360 nan 0.000 0.459 230 L N 1.506 122.733 121.223 0.008 0.000 2.046 230 L HA -0.129 4.211 4.340 0.000 0.000 0.208 230 L C 2.544 179.409 176.870 -0.008 0.000 1.077 230 L CA 1.739 56.576 54.840 -0.005 0.000 0.747 230 L CB -0.443 41.612 42.059 -0.008 0.000 0.896 230 L HN 0.026 nan 8.230 nan 0.000 0.432 231 R N -0.555 119.944 120.500 -0.002 0.000 2.083 231 R HA -0.222 4.118 4.340 0.000 0.000 0.237 231 R C 2.581 178.882 176.300 0.002 0.000 1.137 231 R CA 1.839 57.938 56.100 -0.002 0.000 0.951 231 R CB -0.304 29.996 30.300 0.000 0.000 0.851 231 R HN 0.375 nan 8.270 nan 0.000 0.434 232 R N 0.384 120.889 120.500 0.008 0.000 2.083 232 R HA -0.177 4.163 4.340 0.000 0.000 0.237 232 R C 2.401 178.712 176.300 0.018 0.000 1.137 232 R CA 1.751 57.860 56.100 0.015 0.000 0.951 232 R CB -0.431 29.881 30.300 0.020 0.000 0.851 232 R HN 0.270 nan 8.270 nan 0.000 0.434 233 L N 1.015 122.248 121.223 0.016 0.000 1.989 233 L HA -0.143 4.197 4.340 0.000 0.000 0.211 233 L C 1.967 178.833 176.870 -0.007 0.000 1.071 233 L CA 1.773 56.622 54.840 0.015 0.000 0.749 233 L CB -0.428 41.629 42.059 -0.004 0.000 0.890 233 L HN 0.246 nan 8.230 nan 0.000 0.431 234 L N -1.226 119.983 121.223 -0.023 0.000 2.156 234 L HA -0.127 4.213 4.340 0.000 0.000 0.208 234 L C 2.323 179.190 176.870 -0.006 0.000 1.095 234 L CA 1.269 56.093 54.840 -0.027 0.000 0.770 234 L CB -1.051 40.988 42.059 -0.032 0.000 0.914 234 L HN 0.287 nan 8.230 nan 0.000 0.439 235 T N -0.240 114.315 114.554 0.001 0.000 2.684 235 T HA -0.261 4.089 4.350 0.000 0.000 0.267 235 T C 1.923 176.632 174.700 0.014 0.000 1.036 235 T CA 1.670 63.774 62.100 0.007 0.000 1.148 235 T CB -0.101 68.772 68.868 0.008 0.000 0.863 235 T HN 0.251 nan 8.240 nan 0.000 0.436 236 K N 0.659 121.071 120.400 0.020 0.000 2.026 236 K HA -0.081 4.239 4.320 0.000 0.000 0.208 236 K C 2.228 178.849 176.600 0.035 0.000 1.048 236 K CA 1.070 57.375 56.287 0.030 0.000 0.929 236 K CB -0.362 32.163 32.500 0.042 0.000 0.713 236 K HN 0.115 nan 8.250 nan 0.000 0.439 237 V N 1.716 121.649 119.914 0.032 0.000 2.287 237 V HA -0.272 3.848 4.120 0.000 0.000 0.248 237 V C 2.331 178.443 176.094 0.030 0.000 1.053 237 V CA 1.789 64.110 62.300 0.035 0.000 1.027 237 V CB -0.380 31.450 31.823 0.010 0.000 0.646 237 V HN 0.338 nan 8.190 nan 0.000 0.447 238 L N -0.495 120.740 121.223 0.020 0.000 2.083 238 L HA -0.234 4.106 4.340 0.000 0.000 0.209 238 L C 2.645 179.528 176.870 0.023 0.000 1.083 238 L CA 1.843 56.696 54.840 0.021 0.000 0.752 238 L CB -0.606 41.460 42.059 0.013 0.000 0.899 238 L HN 0.418 nan 8.230 nan 0.000 0.433 239 Q N -0.015 119.797 119.800 0.021 0.000 2.084 239 Q HA -0.231 4.110 4.340 0.000 0.000 0.202 239 Q C 2.078 178.092 176.000 0.024 0.000 0.978 239 Q CA 1.413 57.229 55.803 0.021 0.000 0.844 239 Q CB 0.164 28.913 28.738 0.019 0.000 0.898 239 Q HN 0.385 nan 8.270 nan 0.000 0.426 240 E N 0.391 120.608 120.200 0.028 0.000 2.077 240 E HA -0.183 4.168 4.350 0.000 0.000 0.193 240 E C 1.932 178.551 176.600 0.031 0.000 0.989 240 E CA 0.716 57.133 56.400 0.029 0.000 0.800 240 E CB -0.320 29.401 29.700 0.035 0.000 0.746 240 E HN 0.252 nan 8.360 nan 0.000 0.452 241 R N 1.305 121.826 120.500 0.036 0.000 2.073 241 R HA -0.134 4.206 4.340 0.000 0.000 0.234 241 R C 1.222 177.545 176.300 0.039 0.000 1.134 241 R CA 1.440 57.565 56.100 0.042 0.000 0.952 241 R CB -0.374 29.954 30.300 0.046 0.000 0.850 241 R HN 0.059 nan 8.270 nan 0.000 0.433 242 D N -0.655 119.764 120.400 0.032 0.000 2.263 242 D HA -0.080 4.560 4.640 0.000 0.000 0.208 242 D C 1.465 177.782 176.300 0.027 0.000 0.971 242 D CA 1.363 55.380 54.000 0.028 0.000 0.867 242 D CB -0.394 40.419 40.800 0.021 0.000 0.929 242 D HN 0.494 nan 8.370 nan 0.000 0.492 243 G N -0.260 108.555 108.800 0.026 0.000 2.920 243 G HA2 0.112 4.072 3.960 0.000 0.000 0.208 243 G HA3 0.112 4.072 3.960 0.000 0.000 0.208 243 G C 0.612 175.528 174.900 0.027 0.000 1.159 243 G CA -0.166 44.947 45.100 0.023 0.000 0.784 243 G HN 0.176 nan 8.290 nan 0.000 0.535 244 L N 1.104 122.349 121.223 0.037 0.000 2.375 244 L HA 0.398 4.738 4.340 0.000 0.000 0.271 244 L C 0.529 177.439 176.870 0.066 0.000 1.107 244 L CA -1.096 53.773 54.840 0.050 0.000 0.806 244 L CB 0.956 43.054 42.059 0.065 0.000 1.146 244 L HN 0.095 nan 8.230 nan 0.000 0.447 245 R N 1.666 122.218 120.500 0.087 0.000 2.679 245 R HA 0.019 4.359 4.340 0.000 0.000 0.268 245 R C 1.020 177.380 176.300 0.099 0.000 1.044 245 R CA -0.386 55.773 56.100 0.098 0.000 1.105 245 R CB 0.460 30.842 30.300 0.137 0.000 0.989 245 R HN 0.637 nan 8.270 nan 0.000 0.447 246 R N 1.651 122.183 120.500 0.054 0.000 2.113 246 R HA -0.174 4.166 4.340 0.000 0.000 0.244 246 R C 1.637 177.935 176.300 -0.003 0.000 1.142 246 R CA 1.952 58.067 56.100 0.024 0.000 0.953 246 R CB -0.224 30.081 30.300 0.008 0.000 0.860 246 R HN 0.506 nan 8.270 nan 0.000 0.438 247 V N 0.334 120.221 119.914 -0.044 0.000 2.867 247 V HA -0.161 3.959 4.120 0.000 0.000 0.260 247 V C 1.066 176.965 176.094 -0.325 0.000 1.099 247 V CA 1.467 63.654 62.300 -0.188 0.000 1.122 247 V CB -0.533 31.137 31.823 -0.256 0.000 0.708 247 V HN 0.418 nan 8.190 nan 0.000 0.490 248 H N -0.553 118.532 119.070 0.024 0.000 2.475 248 H HA 0.350 4.906 4.556 0.000 0.000 0.276 248 H C 0.619 175.965 175.328 0.030 0.000 1.126 248 H CA -0.203 55.859 56.048 0.024 0.000 1.023 248 H CB 0.335 30.105 29.762 0.013 0.000 1.669 248 H HN 0.291 nan 8.280 nan 0.000 0.573 249 R N 3.029 123.591 120.500 0.103 0.000 2.247 249 R HA 0.228 4.569 4.340 0.000 0.000 0.329 249 R C -2.640 173.717 176.300 0.095 0.000 1.014 249 R CA -1.473 54.679 56.100 0.088 0.000 0.907 249 R CB 1.025 31.362 30.300 0.063 0.000 1.146 249 R HN 0.087 nan 8.270 nan 0.000 0.499 250 P HA 0.208 nan 4.420 nan 0.000 0.279 250 P C -0.828 176.555 177.300 0.138 0.000 1.252 250 P CA -0.503 62.677 63.100 0.134 0.000 0.811 250 P CB 1.252 33.019 31.700 0.112 0.000 1.035 251 A N 1.424 124.355 122.820 0.185 0.000 2.483 251 A HA 0.333 4.653 4.320 0.000 0.000 0.238 251 A C -0.027 177.654 177.584 0.161 0.000 1.070 251 A CA -0.092 52.041 52.037 0.160 0.000 0.770 251 A CB -0.225 18.884 19.000 0.182 0.000 1.008 251 A HN 0.365 nan 8.150 nan 0.000 0.497 252 V N 3.094 123.072 119.914 0.106 0.000 2.448 252 V HA 0.458 4.578 4.120 0.000 0.000 0.295 252 V C -0.530 175.604 176.094 0.066 0.000 1.025 252 V CA -0.255 62.101 62.300 0.093 0.000 0.859 252 V CB 1.039 32.896 31.823 0.057 0.000 0.988 252 V HN 0.722 nan 8.190 nan 0.000 0.431 253 L N 5.000 126.274 121.223 0.084 0.000 2.333 253 L HA 0.709 5.049 4.340 0.000 0.000 0.269 253 L C -0.338 176.553 176.870 0.034 0.000 1.010 253 L CA -0.565 54.299 54.840 0.040 0.000 0.818 253 L CB 2.201 44.270 42.059 0.017 0.000 1.306 253 L HN 0.357 nan 8.230 nan 0.000 0.430 254 V N 1.369 121.289 119.914 0.010 0.000 2.417 254 V HA 0.426 4.546 4.120 0.000 0.000 0.291 254 V C -0.161 175.946 176.094 0.021 0.000 1.024 254 V CA -0.879 61.421 62.300 -0.000 0.000 0.861 254 V CB 1.534 33.345 31.823 -0.020 0.000 0.985 254 V HN 0.633 nan 8.190 nan 0.000 0.436 255 K N 5.853 126.276 120.400 0.040 0.000 2.234 255 K HA 0.656 4.976 4.320 0.000 0.000 0.277 255 K C -0.525 176.106 176.600 0.053 0.000 1.038 255 K CA -0.494 55.829 56.287 0.060 0.000 0.888 255 K CB 0.992 33.550 32.500 0.097 0.000 1.091 255 K HN 0.790 nan 8.250 nan 0.000 0.467 256 I N 0.696 121.294 120.570 0.046 0.000 2.750 256 I HA 0.644 4.814 4.170 0.000 0.000 0.308 256 I C -0.229 175.914 176.117 0.044 0.000 1.016 256 I CA -1.121 60.203 61.300 0.039 0.000 1.098 256 I CB 1.965 39.982 38.000 0.028 0.000 1.279 256 I HN 0.595 nan 8.210 nan 0.000 0.454 257 A N 4.450 127.293 122.820 0.039 0.000 2.386 257 A HA 0.527 4.847 4.320 0.000 0.000 0.248 257 A C -1.777 175.825 177.584 0.030 0.000 1.082 257 A CA -1.337 50.721 52.037 0.035 0.000 0.789 257 A CB -0.408 18.610 19.000 0.029 0.000 1.025 257 A HN 0.758 nan 8.150 nan 0.000 0.490 258 P HA 0.051 nan 4.420 nan 0.000 0.249 258 P C -0.258 177.054 177.300 0.020 0.000 1.229 258 P CA 0.665 63.780 63.100 0.025 0.000 0.788 258 P CB 0.294 32.009 31.700 0.024 0.000 1.072 259 D N -0.199 120.212 120.400 0.018 0.000 2.424 259 D HA 0.167 4.807 4.640 0.000 0.000 0.220 259 D C 0.668 176.976 176.300 0.014 0.000 1.150 259 D CA -0.044 53.964 54.000 0.014 0.000 0.831 259 D CB 0.454 41.260 40.800 0.011 0.000 0.981 259 D HN 0.237 nan 8.370 nan 0.000 0.500 260 L N 1.321 122.554 121.223 0.017 0.000 2.417 260 L HA 0.162 4.502 4.340 0.000 0.000 0.268 260 L C 1.463 178.342 176.870 0.014 0.000 1.158 260 L CA -0.374 54.475 54.840 0.016 0.000 0.819 260 L CB 0.593 42.663 42.059 0.018 0.000 1.112 260 L HN -0.044 nan 8.230 nan 0.000 0.458 261 T N -1.325 113.237 114.554 0.013 0.000 2.802 261 T HA 0.060 4.410 4.350 0.000 0.000 0.305 261 T C 1.224 175.932 174.700 0.013 0.000 1.053 261 T CA -0.459 61.648 62.100 0.011 0.000 1.058 261 T CB 0.986 69.860 68.868 0.010 0.000 0.988 261 T HN 0.596 nan 8.240 nan 0.000 0.539 262 S N 0.490 116.197 115.700 0.012 0.000 2.383 262 S HA -0.180 4.290 4.470 0.000 0.000 0.229 262 S C 2.052 176.659 174.600 0.012 0.000 1.030 262 S CA 1.460 59.668 58.200 0.014 0.000 1.002 262 S CB -0.595 62.612 63.200 0.013 0.000 0.829 262 S HN 0.856 nan 8.310 nan 0.000 0.467 263 Q N 1.708 121.514 119.800 0.010 0.000 2.084 263 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 263 Q C 1.396 177.402 176.000 0.009 0.000 0.978 263 Q CA 1.735 57.543 55.803 0.009 0.000 0.844 263 Q CB -0.439 28.304 28.738 0.008 0.000 0.898 263 Q HN 0.359 nan 8.270 nan 0.000 0.426 264 D N 0.071 120.477 120.400 0.010 0.000 2.104 264 D HA -0.168 4.473 4.640 0.000 0.000 0.194 264 D C 1.694 178.000 176.300 0.010 0.000 0.994 264 D CA 1.421 55.428 54.000 0.010 0.000 0.830 264 D CB -0.089 40.718 40.800 0.012 0.000 0.959 264 D HN 0.336 nan 8.370 nan 0.000 0.452 265 K N 0.542 120.949 120.400 0.012 0.000 2.057 265 K HA -0.117 4.203 4.320 0.000 0.000 0.207 265 K C 2.161 178.766 176.600 0.009 0.000 1.049 265 K CA 0.898 57.192 56.287 0.013 0.000 0.931 265 K CB -0.036 32.475 32.500 0.019 0.000 0.714 265 K HN 0.214 nan 8.250 nan 0.000 0.440 266 E N 0.736 120.941 120.200 0.008 0.000 2.085 266 E HA -0.198 4.152 4.350 0.000 0.000 0.194 266 E C 1.628 178.229 176.600 0.001 0.000 0.994 266 E CA 1.334 57.737 56.400 0.005 0.000 0.801 266 E CB 0.011 29.714 29.700 0.005 0.000 0.743 266 E HN 0.261 nan 8.360 nan 0.000 0.453 267 D N 0.463 120.864 120.400 0.002 0.000 2.117 267 D HA -0.117 4.524 4.640 0.000 0.000 0.198 267 D C 1.996 178.294 176.300 -0.002 0.000 0.982 267 D CA 0.798 54.799 54.000 0.001 0.000 0.828 267 D CB -0.191 40.611 40.800 0.003 0.000 0.967 267 D HN 0.168 nan 8.370 nan 0.000 0.464 268 I N 1.199 121.768 120.570 -0.001 0.000 2.179 268 I HA -0.271 3.899 4.170 0.000 0.000 0.242 268 I C 2.467 178.579 176.117 -0.009 0.000 1.088 268 I CA 1.141 62.439 61.300 -0.004 0.000 1.357 268 I CB -0.213 37.787 38.000 -0.000 0.000 1.051 268 I HN -0.075 nan 8.210 nan 0.000 0.409 269 A N -0.317 122.498 122.820 -0.009 0.000 1.908 269 A HA -0.262 4.058 4.320 0.000 0.000 0.218 269 A C 2.486 180.058 177.584 -0.020 0.000 1.181 269 A CA 2.303 54.330 52.037 -0.017 0.000 0.627 269 A CB -0.885 18.106 19.000 -0.016 0.000 0.818 269 A HN 0.418 nan 8.150 nan 0.000 0.445 270 S N -0.676 115.015 115.700 -0.014 0.000 2.348 270 S HA -0.137 4.333 4.470 0.000 0.000 0.221 270 S C 1.927 176.519 174.600 -0.014 0.000 1.033 270 S CA 1.769 59.961 58.200 -0.014 0.000 1.010 270 S CB -0.533 62.661 63.200 -0.009 0.000 0.891 270 S HN 0.309 nan 8.310 nan 0.000 0.442 271 V N 1.501 121.408 119.914 -0.012 0.000 2.343 271 V HA -0.111 4.009 4.120 0.000 0.000 0.247 271 V C 2.521 178.605 176.094 -0.015 0.000 1.051 271 V CA 1.711 64.004 62.300 -0.012 0.000 1.036 271 V CB -0.779 31.038 31.823 -0.010 0.000 0.654 271 V HN 0.420 nan 8.190 nan 0.000 0.451 272 V N -0.087 119.816 119.914 -0.018 0.000 2.282 272 V HA -0.332 3.789 4.120 0.000 0.000 0.249 272 V C 2.459 178.538 176.094 -0.025 0.000 1.057 272 V CA 2.301 64.588 62.300 -0.022 0.000 1.032 272 V CB -0.666 31.142 31.823 -0.025 0.000 0.645 272 V HN 0.564 nan 8.190 nan 0.000 0.447 273 K N -0.592 119.791 120.400 -0.027 0.000 2.076 273 K HA -0.151 4.169 4.320 0.000 0.000 0.204 273 K C 2.237 178.823 176.600 -0.023 0.000 1.051 273 K CA 1.197 57.466 56.287 -0.030 0.000 0.949 273 K CB -0.185 32.293 32.500 -0.036 0.000 0.726 273 K HN 0.516 nan 8.250 nan 0.000 0.443 274 E N 1.232 121.421 120.200 -0.018 0.000 2.058 274 E HA -0.195 4.155 4.350 0.000 0.000 0.194 274 E C 1.723 178.316 176.600 -0.011 0.000 0.997 274 E CA 1.127 57.519 56.400 -0.013 0.000 0.801 274 E CB 0.099 29.793 29.700 -0.010 0.000 0.746 274 E HN 0.243 nan 8.360 nan 0.000 0.450 275 L N -0.963 120.253 121.223 -0.012 0.000 2.529 275 L HA 0.194 4.534 4.340 0.000 0.000 0.223 275 L C 1.288 178.153 176.870 -0.008 0.000 1.113 275 L CA 0.372 55.207 54.840 -0.008 0.000 0.861 275 L CB 0.269 42.323 42.059 -0.008 0.000 1.012 275 L HN 0.373 nan 8.230 nan 0.000 0.461 276 G N 1.500 110.292 108.800 -0.013 0.000 2.225 276 G HA2 -0.238 3.722 3.960 0.000 0.000 0.264 276 G HA3 -0.238 3.722 3.960 0.000 0.000 0.264 276 G C 0.245 175.139 174.900 -0.010 0.000 1.060 276 G CA -0.404 44.688 45.100 -0.013 0.000 0.833 276 G HN 0.133 nan 8.290 nan 0.000 0.498 277 I N 0.707 121.270 120.570 -0.012 0.000 2.775 277 I HA 0.008 4.178 4.170 0.000 0.000 0.290 277 I C 1.278 177.387 176.117 -0.013 0.000 1.203 277 I CA 0.357 61.652 61.300 -0.010 0.000 1.433 277 I CB 0.521 38.512 38.000 -0.014 0.000 1.354 277 I HN 0.192 nan 8.210 nan 0.000 0.579 278 D N 4.388 124.786 120.400 -0.004 0.000 2.277 278 D HA 0.089 4.729 4.640 0.000 0.000 0.208 278 D C 0.941 177.222 176.300 -0.030 0.000 0.962 278 D CA 0.693 54.689 54.000 -0.007 0.000 0.865 278 D CB 0.695 41.506 40.800 0.018 0.000 0.939 278 D HN 0.763 nan 8.370 nan 0.000 0.510 279 G N -0.517 108.262 108.800 -0.035 0.000 2.451 279 G HA2 0.507 4.467 3.960 0.000 0.000 0.292 279 G HA3 0.507 4.467 3.960 0.000 0.000 0.292 279 G C -1.955 172.918 174.900 -0.044 0.000 1.427 279 G CA -0.795 44.270 45.100 -0.058 0.000 0.792 279 G HN 0.022 nan 8.290 nan 0.000 0.498 280 L N 0.137 121.332 121.223 -0.046 0.000 2.381 280 L HA 0.630 4.970 4.340 0.000 0.000 0.268 280 L C -0.431 176.427 176.870 -0.020 0.000 0.997 280 L CA -0.891 53.936 54.840 -0.021 0.000 0.818 280 L CB 2.375 44.430 42.059 -0.008 0.000 1.310 280 L HN 0.360 nan 8.230 nan 0.000 0.416 281 I N 3.096 123.670 120.570 0.008 0.000 2.354 281 I HA 0.448 4.618 4.170 0.000 0.000 0.292 281 I C -0.845 175.296 176.117 0.041 0.000 0.989 281 I CA -0.774 60.544 61.300 0.030 0.000 1.188 281 I CB 1.879 39.919 38.000 0.067 0.000 1.342 281 I HN 0.187 nan 8.210 nan 0.000 0.457 282 V N 4.964 124.902 119.914 0.041 0.000 2.445 282 V HA 0.435 4.555 4.120 0.000 0.000 0.283 282 V C -0.060 176.061 176.094 0.045 0.000 1.014 282 V CA -0.398 61.927 62.300 0.041 0.000 0.852 282 V CB 1.599 33.444 31.823 0.036 0.000 1.021 282 V HN 0.927 nan 8.190 nan 0.000 0.435 283 T N 0.287 114.871 114.554 0.050 0.000 2.838 283 T HA 0.530 4.880 4.350 0.000 0.000 0.292 283 T C -0.211 174.526 174.700 0.061 0.000 1.113 283 T CA -0.752 61.379 62.100 0.051 0.000 1.008 283 T CB 2.212 71.105 68.868 0.042 0.000 1.259 283 T HN 0.334 nan 8.240 nan 0.000 0.520 284 N N 0.640 119.378 118.700 0.063 0.000 2.262 284 N HA 0.228 4.968 4.740 0.000 0.000 0.260 284 N C 0.451 175.991 175.510 0.050 0.000 1.305 284 N CA 0.349 53.440 53.050 0.068 0.000 0.913 284 N CB 0.706 39.237 38.487 0.073 0.000 1.116 284 N HN 0.967 nan 8.380 nan 0.000 0.512 285 T N -2.475 112.105 114.554 0.043 0.000 2.813 285 T HA 0.153 4.503 4.350 0.000 0.000 0.297 285 T C 0.486 175.197 174.700 0.019 0.000 1.036 285 T CA -0.445 61.669 62.100 0.024 0.000 1.044 285 T CB 0.687 69.563 68.868 0.013 0.000 0.993 285 T HN 0.378 nan 8.240 nan 0.000 0.535 286 T N 0.071 114.632 114.554 0.013 0.000 2.859 286 T HA 0.404 4.754 4.350 0.000 0.000 0.281 286 T C 1.138 175.840 174.700 0.003 0.000 1.005 286 T CA -0.422 61.683 62.100 0.009 0.000 1.025 286 T CB 0.818 69.691 68.868 0.010 0.000 0.977 286 T HN 0.813 nan 8.240 nan 0.000 0.458 287 V N 2.335 122.250 119.914 0.001 0.000 3.649 287 V HA 0.285 4.405 4.120 0.000 0.000 0.275 287 V C 1.058 177.148 176.094 -0.006 0.000 1.281 287 V CA 0.274 62.572 62.300 -0.004 0.000 1.143 287 V CB -1.154 30.666 31.823 -0.005 0.000 0.892 287 V HN 0.812 nan 8.190 nan 0.000 0.441 288 S N 1.559 117.258 115.700 -0.003 0.000 2.603 288 S HA 0.518 4.988 4.470 0.000 0.000 0.268 288 S C 0.123 174.718 174.600 -0.007 0.000 1.317 288 S CA -0.650 57.548 58.200 -0.004 0.000 1.012 288 S CB 1.044 64.244 63.200 -0.001 0.000 0.926 288 S HN 0.491 nan 8.310 nan 0.000 0.539 289 R N 2.274 122.769 120.500 -0.010 0.000 2.443 289 R HA 0.405 4.745 4.340 0.000 0.000 0.287 289 R C -2.721 173.573 176.300 -0.011 0.000 1.425 289 R CA -1.879 54.214 56.100 -0.012 0.000 1.300 289 R CB 0.357 30.646 30.300 -0.019 0.000 1.129 289 R HN 0.627 nan 8.270 nan 0.000 0.577 290 P HA 0.028 nan 4.420 nan 0.000 0.267 290 P C -0.137 177.157 177.300 -0.009 0.000 1.200 290 P CA -0.199 62.897 63.100 -0.007 0.000 0.772 290 P CB 0.588 32.286 31.700 -0.004 0.000 0.855 291 A N 1.678 124.493 122.820 -0.009 0.000 2.531 291 A HA 0.416 4.737 4.320 0.000 0.000 0.236 291 A C 1.454 179.031 177.584 -0.011 0.000 1.062 291 A CA 0.786 52.817 52.037 -0.010 0.000 0.760 291 A CB -1.036 17.959 19.000 -0.009 0.000 0.995 291 A HN 0.966 nan 8.150 nan 0.000 0.501 292 G N 0.796 109.589 108.800 -0.012 0.000 2.218 292 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 292 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 292 G C 0.193 175.084 174.900 -0.015 0.000 0.994 292 G CA -0.043 45.049 45.100 -0.013 0.000 0.637 292 G HN 0.840 nan 8.290 nan 0.000 0.505 293 L N 0.951 122.164 121.223 -0.015 0.000 2.540 293 L HA 0.172 4.512 4.340 0.000 0.000 0.276 293 L C 1.612 178.471 176.870 -0.018 0.000 1.212 293 L CA 0.224 55.054 54.840 -0.017 0.000 0.893 293 L CB 0.691 42.740 42.059 -0.017 0.000 1.138 293 L HN 0.148 nan 8.230 nan 0.000 0.491 294 Q N 2.285 122.074 119.800 -0.018 0.000 2.391 294 Q HA 0.153 4.493 4.340 0.000 0.000 0.243 294 Q C 0.922 176.913 176.000 -0.016 0.000 0.874 294 Q CA 0.272 56.065 55.803 -0.018 0.000 0.950 294 Q CB 0.482 29.209 28.738 -0.018 0.000 1.103 294 Q HN 0.814 nan 8.270 nan 0.000 0.544 295 G N 0.784 109.576 108.800 -0.013 0.000 2.321 295 G HA2 0.165 4.125 3.960 0.000 0.000 0.237 295 G HA3 0.165 4.125 3.960 0.000 0.000 0.237 295 G C 0.989 175.879 174.900 -0.016 0.000 1.282 295 G CA 0.519 45.615 45.100 -0.006 0.000 0.886 295 G HN 0.249 nan 8.290 nan 0.000 0.528 296 A N 2.277 125.088 122.820 -0.015 0.000 2.024 296 A HA -0.020 4.300 4.320 0.000 0.000 0.220 296 A C 2.050 179.603 177.584 -0.052 0.000 1.164 296 A CA 0.917 52.938 52.037 -0.027 0.000 0.643 296 A CB -0.143 18.846 19.000 -0.019 0.000 0.806 296 A HN 0.620 nan 8.150 nan 0.000 0.451 297 L N -0.064 121.127 121.223 -0.054 0.000 2.653 297 L HA 0.062 4.402 4.340 0.000 0.000 0.232 297 L C 2.212 179.009 176.870 -0.121 0.000 1.169 297 L CA 0.199 54.968 54.840 -0.119 0.000 0.951 297 L CB -0.307 41.692 42.059 -0.100 0.000 1.181 297 L HN 0.535 nan 8.230 nan 0.000 0.460 298 R N -0.830 119.625 120.500 -0.074 0.000 2.159 298 R HA -0.098 4.242 4.340 0.000 0.000 0.237 298 R C 1.352 177.607 176.300 -0.076 0.000 1.131 298 R CA 1.498 57.563 56.100 -0.058 0.000 0.982 298 R CB -0.513 29.764 30.300 -0.039 0.000 0.868 298 R HN 0.109 nan 8.270 nan 0.000 0.453 299 S N 0.537 116.176 115.700 -0.101 0.000 2.597 299 S HA 0.105 4.575 4.470 0.000 0.000 0.224 299 S C -0.352 174.161 174.600 -0.144 0.000 0.955 299 S CA -0.337 57.803 58.200 -0.101 0.000 0.933 299 S CB 0.164 63.314 63.200 -0.083 0.000 0.788 299 S HN 0.268 nan 8.310 nan 0.000 0.488 300 E N 2.484 122.552 120.200 -0.220 0.000 2.413 300 E HA 0.063 4.413 4.350 0.000 0.000 0.263 300 E C 0.067 176.573 176.600 -0.156 0.000 1.015 300 E CA 0.347 56.563 56.400 -0.307 0.000 0.916 300 E CB 0.434 29.752 29.700 -0.636 0.000 0.947 300 E HN 0.056 nan 8.360 nan 0.000 0.440 301 T N 1.625 116.111 114.554 -0.114 0.000 2.888 301 T HA 0.462 4.812 4.350 0.000 0.000 0.301 301 T C 0.365 175.064 174.700 -0.002 0.000 1.001 301 T CA 0.577 62.650 62.100 -0.045 0.000 1.147 301 T CB 0.622 69.473 68.868 -0.030 0.000 0.931 301 T HN 0.648 nan 8.240 nan 0.000 0.541 302 G N 1.476 110.276 108.800 -0.001 0.000 2.369 302 G HA2 0.429 4.389 3.960 0.000 0.000 0.293 302 G HA3 0.429 4.389 3.960 0.000 0.000 0.293 302 G C -0.455 174.447 174.900 0.003 0.000 1.301 302 G CA -0.524 44.583 45.100 0.013 0.000 0.913 302 G HN 0.845 nan 8.290 nan 0.000 0.540 303 G N -0.840 107.962 108.800 0.002 0.000 2.353 303 G HA2 0.651 4.611 3.960 0.000 0.000 0.284 303 G HA3 0.651 4.611 3.960 0.000 0.000 0.284 303 G C -0.357 174.542 174.900 -0.001 0.000 1.172 303 G CA -0.211 44.889 45.100 -0.000 0.000 0.854 303 G HN 1.197 nan 8.290 nan 0.000 0.485 304 L N 3.106 124.329 121.223 -0.000 0.000 2.305 304 L HA 0.659 4.999 4.340 0.000 0.000 0.281 304 L C 0.574 177.442 176.870 -0.003 0.000 1.085 304 L CA -0.084 54.756 54.840 -0.000 0.000 0.813 304 L CB 1.336 43.397 42.059 0.002 0.000 1.157 304 L HN 0.613 nan 8.230 nan 0.000 0.436 305 S N 2.949 118.643 115.700 -0.010 0.000 2.709 305 S HA 1.032 5.502 4.470 0.000 0.000 0.302 305 S C 0.015 174.626 174.600 0.019 0.000 1.127 305 S CA -0.183 58.011 58.200 -0.011 0.000 0.905 305 S CB 1.346 64.505 63.200 -0.069 0.000 1.151 305 S HN 1.732 nan 8.310 nan 0.000 0.510 306 G N 1.286 110.108 108.800 0.037 0.000 2.545 306 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 306 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 306 G C 0.346 175.276 174.900 0.050 0.000 1.314 306 G CA 0.144 45.287 45.100 0.071 0.000 0.906 306 G HN 0.874 nan 8.290 nan 0.000 0.563 307 K N 0.853 121.277 120.400 0.040 0.000 2.074 307 K HA -0.110 4.210 4.320 0.000 0.000 0.209 307 K C -0.172 176.437 176.600 0.015 0.000 1.048 307 K CA 2.238 58.541 56.287 0.027 0.000 0.926 307 K CB -0.823 31.683 32.500 0.011 0.000 0.713 307 K HN 0.307 nan 8.250 nan 0.000 0.444 308 P HA -0.116 nan 4.420 nan 0.000 0.226 308 P C 1.002 178.308 177.300 0.010 0.000 1.153 308 P CA 0.681 63.784 63.100 0.005 0.000 0.777 308 P CB 0.104 31.805 31.700 0.001 0.000 0.794 309 L N -0.644 120.589 121.223 0.016 0.000 2.341 309 L HA 0.129 4.469 4.340 0.000 0.000 0.214 309 L C 2.400 179.283 176.870 0.022 0.000 1.115 309 L CA 1.192 56.044 54.840 0.019 0.000 0.820 309 L CB -0.766 41.306 42.059 0.023 0.000 0.944 309 L HN -0.255 nan 8.230 nan 0.000 0.452 310 R N -0.175 120.340 120.500 0.024 0.000 2.115 310 R HA -0.227 4.114 4.340 0.000 0.000 0.239 310 R C 1.588 177.899 176.300 0.019 0.000 1.133 310 R CA 2.449 58.564 56.100 0.026 0.000 0.935 310 R CB -0.333 29.983 30.300 0.027 0.000 0.853 310 R HN 0.366 nan 8.270 nan 0.000 0.433 311 D N 0.158 120.565 120.400 0.013 0.000 2.234 311 D HA -0.101 4.539 4.640 0.000 0.000 0.205 311 D C 1.720 178.026 176.300 0.010 0.000 0.962 311 D CA 0.428 54.433 54.000 0.009 0.000 0.855 311 D CB -0.139 40.663 40.800 0.004 0.000 0.951 311 D HN 0.145 nan 8.370 nan 0.000 0.500 312 L N 0.616 121.846 121.223 0.012 0.000 2.042 312 L HA -0.155 4.185 4.340 0.000 0.000 0.210 312 L C 2.081 178.962 176.870 0.020 0.000 1.076 312 L CA 1.624 56.473 54.840 0.014 0.000 0.749 312 L CB -0.705 41.362 42.059 0.014 0.000 0.893 312 L HN -0.128 nan 8.230 nan 0.000 0.432 313 S N -1.208 114.505 115.700 0.022 0.000 2.348 313 S HA -0.193 4.278 4.470 0.000 0.000 0.221 313 S C 1.800 176.416 174.600 0.026 0.000 1.033 313 S CA 1.786 60.002 58.200 0.027 0.000 1.010 313 S CB -0.559 62.660 63.200 0.031 0.000 0.891 313 S HN 0.599 nan 8.310 nan 0.000 0.442 314 T N 2.390 116.956 114.554 0.020 0.000 2.720 314 T HA -0.116 4.234 4.350 0.000 0.000 0.268 314 T C 1.945 176.657 174.700 0.019 0.000 1.037 314 T CA 1.103 63.211 62.100 0.014 0.000 1.144 314 T CB -0.308 68.563 68.868 0.004 0.000 0.864 314 T HN 0.311 nan 8.240 nan 0.000 0.444 315 Q N 0.578 120.389 119.800 0.017 0.000 2.124 315 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 315 Q C 2.593 178.615 176.000 0.038 0.000 0.977 315 Q CA 1.345 57.161 55.803 0.021 0.000 0.850 315 Q CB -0.787 27.960 28.738 0.014 0.000 0.901 315 Q HN 0.536 nan 8.270 nan 0.000 0.429 316 T N 1.580 116.156 114.554 0.036 0.000 2.777 316 T HA -0.059 4.291 4.350 0.000 0.000 0.266 316 T C 2.066 176.800 174.700 0.058 0.000 1.040 316 T CA 0.788 62.913 62.100 0.043 0.000 1.141 316 T CB -0.181 68.708 68.868 0.036 0.000 0.868 316 T HN 0.180 nan 8.240 nan 0.000 0.444 317 I N 0.712 121.315 120.570 0.056 0.000 2.163 317 I HA -0.219 3.951 4.170 0.000 0.000 0.243 317 I C 2.877 179.066 176.117 0.121 0.000 1.085 317 I CA 1.393 62.734 61.300 0.069 0.000 1.347 317 I CB -0.347 37.676 38.000 0.039 0.000 1.044 317 I HN 0.119 nan 8.210 nan 0.000 0.408 318 R N 0.751 121.326 120.500 0.124 0.000 2.080 318 R HA -0.262 4.078 4.340 0.000 0.000 0.236 318 R C 2.303 178.762 176.300 0.265 0.000 1.137 318 R CA 2.196 58.429 56.100 0.221 0.000 0.943 318 R CB -0.233 30.121 30.300 0.089 0.000 0.846 318 R HN 0.363 nan 8.270 nan 0.000 0.431 319 E N -0.412 119.877 120.200 0.150 0.000 2.058 319 E HA -0.219 4.131 4.350 0.000 0.000 0.194 319 E C 1.929 178.595 176.600 0.110 0.000 0.997 319 E CA 1.569 58.041 56.400 0.120 0.000 0.801 319 E CB 0.078 29.821 29.700 0.071 0.000 0.746 319 E HN 0.206 nan 8.360 nan 0.000 0.450 320 M N -0.382 119.277 119.600 0.097 0.000 2.175 320 M HA -0.136 4.344 4.480 0.000 0.000 0.264 320 M C 2.136 178.472 176.300 0.059 0.000 1.063 320 M CA 1.332 56.670 55.300 0.064 0.000 1.119 320 M CB -1.208 31.424 32.600 0.052 0.000 1.377 320 M HN 0.256 nan 8.290 nan 0.000 0.415 321 Y N 1.183 121.455 120.300 -0.045 0.000 2.128 321 Y HA -0.210 4.340 4.550 0.000 0.000 0.284 321 Y C 2.423 178.224 175.900 -0.166 0.000 1.154 321 Y CA 2.292 60.306 58.100 -0.143 0.000 1.149 321 Y CB -0.325 37.985 38.460 -0.250 0.000 0.976 321 Y HN 0.212 nan 8.280 nan 0.000 0.505 322 A N 0.083 122.941 122.820 0.065 0.000 1.902 322 A HA -0.163 4.158 4.320 0.000 0.000 0.217 322 A C 2.249 179.816 177.584 -0.028 0.000 1.181 322 A CA 1.797 53.858 52.037 0.039 0.000 0.623 322 A CB -1.174 17.946 19.000 0.201 0.000 0.818 322 A HN 0.551 nan 8.150 nan 0.000 0.443 323 L N -0.036 121.183 121.223 -0.006 0.000 2.191 323 L HA -0.123 4.218 4.340 0.000 0.000 0.212 323 L C 2.338 179.170 176.870 -0.063 0.000 1.103 323 L CA 1.634 56.461 54.840 -0.022 0.000 0.769 323 L CB -0.436 41.622 42.059 -0.002 0.000 0.908 323 L HN 0.649 nan 8.230 nan 0.000 0.438 324 T N -5.381 109.105 114.554 -0.113 0.000 3.105 324 T HA 0.157 4.507 4.350 0.000 0.000 0.253 324 T C 0.681 175.249 174.700 -0.220 0.000 1.047 324 T CA -0.293 61.720 62.100 -0.145 0.000 0.944 324 T CB 0.477 69.262 68.868 -0.139 0.000 1.016 324 T HN 0.141 nan 8.240 nan 0.000 0.544 325 Q N 0.259 119.908 119.800 -0.252 0.000 2.494 325 Q HA -0.132 4.208 4.340 0.000 0.000 0.266 325 Q C 1.240 176.967 176.000 -0.454 0.000 1.053 325 Q CA 1.151 56.791 55.803 -0.271 0.000 1.029 325 Q CB -2.226 26.417 28.738 -0.158 0.000 1.423 325 Q HN 1.140 nan 8.270 nan 0.000 0.516 326 G N -0.899 107.378 108.800 -0.873 0.000 2.168 326 G HA2 -0.414 3.546 3.960 0.000 0.000 0.257 326 G HA3 -0.414 3.546 3.960 0.000 0.000 0.257 326 G C 0.653 175.246 174.900 -0.511 0.000 0.997 326 G CA 0.681 45.025 45.100 -1.260 0.000 0.708 326 G HN 0.462 nan 8.290 nan 0.000 0.520 327 R N -1.115 119.183 120.500 -0.337 0.000 2.312 327 R HA 0.336 4.676 4.340 0.000 0.000 0.205 327 R C 0.293 176.512 176.300 -0.135 0.000 0.904 327 R CA 0.376 56.367 56.100 -0.181 0.000 1.052 327 R CB 0.942 31.160 30.300 -0.137 0.000 1.014 327 R HN 0.309 nan 8.270 nan 0.000 0.503 328 V N 3.167 122.989 119.914 -0.153 0.000 2.350 328 V HA 0.264 4.384 4.120 0.000 0.000 0.285 328 V C -2.327 173.724 176.094 -0.072 0.000 1.014 328 V CA -2.415 59.828 62.300 -0.097 0.000 0.831 328 V CB 1.627 33.399 31.823 -0.086 0.000 1.000 328 V HN -0.050 nan 8.190 nan 0.000 0.433 329 P HA 0.155 nan 4.420 nan 0.000 0.262 329 P C -0.582 176.679 177.300 -0.065 0.000 1.182 329 P CA 0.524 63.584 63.100 -0.067 0.000 0.761 329 P CB 0.392 32.031 31.700 -0.102 0.000 0.795 330 I N 4.052 124.596 120.570 -0.043 0.000 2.433 330 I HA 0.339 4.509 4.170 0.000 0.000 0.292 330 I C 0.248 176.320 176.117 -0.076 0.000 1.001 330 I CA -0.763 60.517 61.300 -0.035 0.000 1.119 330 I CB 1.452 39.469 38.000 0.030 0.000 1.289 330 I HN 0.124 nan 8.210 nan 0.000 0.438 331 I N 5.369 125.894 120.570 -0.076 0.000 2.304 331 I HA 0.313 4.483 4.170 0.000 0.000 0.291 331 I C 0.770 176.898 176.117 0.017 0.000 1.018 331 I CA -0.259 61.016 61.300 -0.043 0.000 1.260 331 I CB 1.053 39.035 38.000 -0.030 0.000 1.390 331 I HN 0.621 nan 8.210 nan 0.000 0.475 332 G N 5.579 114.395 108.800 0.026 0.000 2.325 332 G HA2 0.503 4.464 3.960 0.000 0.000 0.298 332 G HA3 0.503 4.464 3.960 0.000 0.000 0.298 332 G C -1.007 173.926 174.900 0.055 0.000 1.134 332 G CA -0.307 44.813 45.100 0.033 0.000 0.876 332 G HN 0.428 nan 8.290 nan 0.000 0.452 333 V N 1.685 121.632 119.914 0.055 0.000 2.969 333 V HA 0.926 5.046 4.120 0.000 0.000 0.304 333 V C -0.193 175.936 176.094 0.058 0.000 1.192 333 V CA 0.507 62.846 62.300 0.064 0.000 0.962 333 V CB 1.802 33.672 31.823 0.078 0.000 1.045 333 V HN 2.033 nan 8.190 nan 0.000 0.428 334 G N 3.599 112.435 108.800 0.060 0.000 2.588 334 G HA2 0.522 4.482 3.960 0.000 0.000 0.239 334 G HA3 0.522 4.482 3.960 0.000 0.000 0.239 334 G C 0.612 175.544 174.900 0.052 0.000 1.275 334 G CA 0.205 45.337 45.100 0.052 0.000 1.181 334 G HN 2.373 nan 8.290 nan 0.000 0.595 335 G N -0.486 108.351 108.800 0.062 0.000 2.198 335 G HA2 0.004 3.964 3.960 0.000 0.000 0.260 335 G HA3 0.004 3.964 3.960 0.000 0.000 0.260 335 G C 0.549 175.496 174.900 0.078 0.000 1.025 335 G CA 0.546 45.688 45.100 0.070 0.000 0.769 335 G HN 1.781 nan 8.290 nan 0.000 0.507 336 V N 1.245 121.210 119.914 0.084 0.000 2.427 336 V HA 0.489 4.609 4.120 0.000 0.000 0.268 336 V C 1.178 177.342 176.094 0.117 0.000 1.046 336 V CA 0.923 63.272 62.300 0.081 0.000 0.970 336 V CB 1.293 33.158 31.823 0.071 0.000 1.001 336 V HN 0.932 nan 8.190 nan 0.000 0.476 337 S N 1.555 117.323 115.700 0.114 0.000 2.960 337 S HA 0.328 4.798 4.470 0.000 0.000 0.256 337 S C 0.217 174.847 174.600 0.051 0.000 1.017 337 S CA 0.122 58.414 58.200 0.154 0.000 1.144 337 S CB 0.411 63.795 63.200 0.307 0.000 1.109 337 S HN 0.878 nan 8.310 nan 0.000 0.638 338 S N -0.763 114.946 115.700 0.014 0.000 2.625 338 S HA 0.738 5.209 4.470 0.000 0.000 0.271 338 S C 1.049 175.631 174.600 -0.029 0.000 1.161 338 S CA -0.226 57.955 58.200 -0.032 0.000 0.820 338 S CB 0.679 63.852 63.200 -0.046 0.000 1.137 338 S HN 0.280 nan 8.310 nan 0.000 0.470 339 G N 0.370 109.141 108.800 -0.048 0.000 2.440 339 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 339 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 339 G C 1.151 176.038 174.900 -0.021 0.000 1.154 339 G CA 1.211 46.287 45.100 -0.040 0.000 0.767 339 G HN 0.861 nan 8.290 nan 0.000 0.552 340 Q N 0.200 119.989 119.800 -0.018 0.000 2.061 340 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 340 Q C 1.997 177.993 176.000 -0.007 0.000 0.984 340 Q CA 1.823 57.621 55.803 -0.009 0.000 0.846 340 Q CB -0.163 28.569 28.738 -0.010 0.000 0.902 340 Q HN 0.372 nan 8.270 nan 0.000 0.421 341 D N 0.374 120.771 120.400 -0.003 0.000 2.104 341 D HA -0.171 4.469 4.640 0.000 0.000 0.194 341 D C 1.761 178.063 176.300 0.003 0.000 0.994 341 D CA 1.494 55.498 54.000 0.006 0.000 0.830 341 D CB -0.399 40.413 40.800 0.021 0.000 0.959 341 D HN 0.434 nan 8.370 nan 0.000 0.452 342 A N 0.799 123.620 122.820 0.001 0.000 1.858 342 A HA -0.146 4.174 4.320 0.000 0.000 0.216 342 A C 2.179 179.750 177.584 -0.023 0.000 1.190 342 A CA 1.131 53.167 52.037 -0.002 0.000 0.617 342 A CB -0.844 18.154 19.000 -0.002 0.000 0.827 342 A HN 0.230 nan 8.150 nan 0.000 0.443 343 L N 0.155 121.361 121.223 -0.028 0.000 2.083 343 L HA -0.146 4.195 4.340 0.000 0.000 0.209 343 L C 2.197 179.036 176.870 -0.052 0.000 1.083 343 L CA 2.241 57.051 54.840 -0.049 0.000 0.752 343 L CB -0.688 41.357 42.059 -0.023 0.000 0.899 343 L HN 0.530 nan 8.230 nan 0.000 0.433 344 E N -0.592 119.590 120.200 -0.029 0.000 2.058 344 E HA -0.271 4.079 4.350 0.000 0.000 0.194 344 E C 2.150 178.725 176.600 -0.041 0.000 0.997 344 E CA 1.552 57.935 56.400 -0.028 0.000 0.801 344 E CB -0.084 29.607 29.700 -0.015 0.000 0.746 344 E HN 0.509 nan 8.360 nan 0.000 0.450 345 K N 0.353 120.733 120.400 -0.034 0.000 2.057 345 K HA -0.114 4.206 4.320 0.000 0.000 0.206 345 K C 2.181 178.738 176.600 -0.072 0.000 1.050 345 K CA 0.959 57.224 56.287 -0.036 0.000 0.935 345 K CB -0.105 32.388 32.500 -0.013 0.000 0.715 345 K HN 0.113 nan 8.250 nan 0.000 0.439 346 I N 0.877 121.394 120.570 -0.089 0.000 2.142 346 I HA -0.298 3.872 4.170 0.000 0.000 0.240 346 I C 2.351 178.356 176.117 -0.186 0.000 1.078 346 I CA 1.372 62.589 61.300 -0.137 0.000 1.343 346 I CB -0.218 37.693 38.000 -0.148 0.000 1.046 346 I HN 0.114 nan 8.210 nan 0.000 0.405 347 R N 0.630 121.031 120.500 -0.166 0.000 2.152 347 R HA -0.104 4.236 4.340 0.000 0.000 0.232 347 R C 2.241 178.465 176.300 -0.125 0.000 1.117 347 R CA 1.308 57.318 56.100 -0.150 0.000 0.981 347 R CB -0.385 29.865 30.300 -0.083 0.000 0.870 347 R HN 0.380 nan 8.270 nan 0.000 0.451 348 A N -0.303 122.451 122.820 -0.111 0.000 2.119 348 A HA 0.138 4.459 4.320 0.000 0.000 0.216 348 A C 1.482 178.981 177.584 -0.142 0.000 1.152 348 A CA 1.254 53.257 52.037 -0.056 0.000 0.708 348 A CB 0.175 19.159 19.000 -0.027 0.000 0.805 348 A HN 0.472 nan 8.150 nan 0.000 0.460 349 G N -2.880 105.697 108.800 -0.372 0.000 2.559 349 G HA2 0.283 4.243 3.960 0.000 0.000 0.202 349 G HA3 0.283 4.243 3.960 0.000 0.000 0.202 349 G C 0.251 175.021 174.900 -0.215 0.000 0.992 349 G CA -0.007 44.647 45.100 -0.744 0.000 0.764 349 G HN 1.248 nan 8.290 nan 0.000 0.525 350 A N 0.688 123.429 122.820 -0.133 0.000 2.409 350 A HA 0.733 5.054 4.320 0.000 0.000 0.262 350 A C 1.372 178.898 177.584 -0.096 0.000 1.113 350 A CA 1.004 52.997 52.037 -0.073 0.000 0.790 350 A CB 0.735 19.705 19.000 -0.050 0.000 1.046 350 A HN 0.682 nan 8.150 nan 0.000 0.496 351 S N 1.228 116.868 115.700 -0.101 0.000 2.458 351 S HA 0.229 4.699 4.470 0.000 0.000 0.223 351 S C 0.415 174.901 174.600 -0.190 0.000 1.019 351 S CA 0.593 58.708 58.200 -0.142 0.000 0.937 351 S CB -0.330 62.773 63.200 -0.162 0.000 0.788 351 S HN 0.597 nan 8.310 nan 0.000 0.511 352 L N 0.645 121.759 121.223 -0.182 0.000 2.415 352 L HA 0.685 5.025 4.340 0.000 0.000 0.256 352 L C -0.952 175.939 176.870 0.034 0.000 1.010 352 L CA -1.091 53.671 54.840 -0.131 0.000 0.826 352 L CB 2.161 43.971 42.059 -0.415 0.000 1.405 352 L HN -0.050 nan 8.230 nan 0.000 0.410 353 V N -1.262 118.750 119.914 0.163 0.000 3.001 353 V HA 0.699 4.819 4.120 0.000 0.000 0.314 353 V C -1.039 175.165 176.094 0.183 0.000 1.099 353 V CA -0.543 61.843 62.300 0.144 0.000 0.989 353 V CB 1.997 33.867 31.823 0.078 0.000 1.040 353 V HN 0.868 nan 8.190 nan 0.000 0.434 354 Q N 1.682 121.542 119.800 0.101 0.000 2.433 354 Q HA 0.856 5.196 4.340 0.000 0.000 0.279 354 Q C -1.442 174.580 176.000 0.038 0.000 1.105 354 Q CA -0.884 54.920 55.803 0.002 0.000 0.815 354 Q CB 2.706 31.432 28.738 -0.020 0.000 1.403 354 Q HN 0.891 nan 8.270 nan 0.000 0.435 355 L N -2.450 118.786 121.223 0.023 0.000 2.415 355 L HA 0.573 4.913 4.340 0.000 0.000 0.256 355 L C -0.922 175.998 176.870 0.084 0.000 1.010 355 L CA -0.482 54.412 54.840 0.089 0.000 0.826 355 L CB 1.248 43.391 42.059 0.140 0.000 1.405 355 L HN 0.854 nan 8.230 nan 0.000 0.410 356 Y N -0.322 119.960 120.300 -0.031 0.000 3.199 356 Y HA 0.019 4.569 4.550 0.000 0.000 0.211 356 Y C 1.684 177.553 175.900 -0.053 0.000 0.959 356 Y CA 0.506 58.563 58.100 -0.071 0.000 1.528 356 Y CB 0.850 39.282 38.460 -0.047 0.000 1.487 356 Y HN 0.683 nan 8.280 nan 0.000 0.403 357 T N 1.768 116.401 114.554 0.130 0.000 2.737 357 T HA -0.227 4.123 4.350 0.000 0.000 0.269 357 T C 1.823 176.569 174.700 0.076 0.000 1.040 357 T CA 1.506 63.602 62.100 -0.007 0.000 1.142 357 T CB -0.622 68.246 68.868 0.000 0.000 0.861 357 T HN 0.506 nan 8.240 nan 0.000 0.456 358 A N 1.250 124.167 122.820 0.162 0.000 1.940 358 A HA -0.065 4.255 4.320 0.000 0.000 0.219 358 A C 2.229 179.887 177.584 0.123 0.000 1.176 358 A CA 1.394 53.561 52.037 0.216 0.000 0.631 358 A CB -0.796 18.392 19.000 0.315 0.000 0.814 358 A HN 0.430 nan 8.150 nan 0.000 0.446 359 L N 0.520 121.802 121.223 0.098 0.000 2.083 359 L HA -0.133 4.207 4.340 0.000 0.000 0.209 359 L C 2.733 179.574 176.870 -0.049 0.000 1.083 359 L CA 2.888 57.750 54.840 0.036 0.000 0.752 359 L CB -0.960 41.078 42.059 -0.035 0.000 0.899 359 L HN 0.585 nan 8.230 nan 0.000 0.433 360 T N -3.674 110.796 114.554 -0.141 0.000 2.915 360 T HA -0.159 4.191 4.350 0.000 0.000 0.269 360 T C 1.662 176.030 174.700 -0.553 0.000 1.071 360 T CA 1.557 63.458 62.100 -0.331 0.000 1.132 360 T CB -0.757 67.820 68.868 -0.485 0.000 0.878 360 T HN 0.348 nan 8.240 nan 0.000 0.479 361 F N -0.813 118.859 119.950 -0.463 0.000 2.374 361 F HA 0.360 4.887 4.527 0.000 0.000 0.291 361 F C 1.741 177.138 175.800 -0.673 0.000 1.084 361 F CA -0.232 57.251 58.000 -0.861 0.000 1.413 361 F CB 0.065 38.097 39.000 -1.614 0.000 1.099 361 F HN 0.174 nan 8.300 nan 0.000 0.534 362 W N 0.133 121.552 121.300 0.199 0.000 3.058 362 W HA 0.488 5.149 4.660 0.000 0.000 0.306 362 W C 1.139 177.735 176.519 0.127 0.000 1.188 362 W CA 0.230 57.658 57.345 0.139 0.000 1.651 362 W CB -0.097 29.421 29.460 0.096 0.000 1.051 362 W HN 0.100 nan 8.180 nan 0.000 0.592 363 G N 1.291 110.231 108.800 0.234 0.000 2.782 363 G HA2 -0.280 3.681 3.960 0.000 0.000 0.228 363 G HA3 -0.280 3.681 3.960 0.000 0.000 0.228 363 G C -1.705 173.213 174.900 0.031 0.000 1.372 363 G CA -0.469 44.740 45.100 0.182 0.000 0.862 363 G HN -0.090 nan 8.290 nan 0.000 0.547 364 P HA -0.045 nan 4.420 nan 0.000 0.217 364 P C -1.150 176.013 177.300 -0.228 0.000 1.151 364 P CA 2.461 65.459 63.100 -0.171 0.000 0.849 364 P CB -0.492 31.105 31.700 -0.171 0.000 0.787 365 P HA -0.090 nan 4.420 nan 0.000 0.225 365 P C 1.623 178.850 177.300 -0.123 0.000 1.148 365 P CA 0.695 63.669 63.100 -0.209 0.000 0.779 365 P CB -0.399 31.176 31.700 -0.208 0.000 0.780 366 V N -0.481 119.399 119.914 -0.056 0.000 2.594 366 V HA -0.197 3.923 4.120 0.000 0.000 0.253 366 V C 2.065 178.091 176.094 -0.112 0.000 1.069 366 V CA 1.628 63.920 62.300 -0.014 0.000 1.082 366 V CB -0.697 31.222 31.823 0.159 0.000 0.680 366 V HN -0.051 nan 8.190 nan 0.000 0.469 367 V N 0.536 120.317 119.914 -0.220 0.000 2.270 367 V HA -0.124 3.997 4.120 0.000 0.000 0.245 367 V C 2.706 178.616 176.094 -0.307 0.000 1.043 367 V CA 2.154 64.239 62.300 -0.358 0.000 1.014 367 V CB -1.537 29.872 31.823 -0.690 0.000 0.645 367 V HN 0.593 nan 8.190 nan 0.000 0.447 368 G N -0.553 108.088 108.800 -0.265 0.000 2.422 368 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 368 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 368 G C 1.644 176.330 174.900 -0.357 0.000 1.146 368 G CA 1.036 45.959 45.100 -0.295 0.000 0.769 368 G HN 0.471 nan 8.290 nan 0.000 0.547 369 K N 0.129 120.397 120.400 -0.220 0.000 2.032 369 K HA -0.093 4.227 4.320 0.000 0.000 0.209 369 K C 2.572 179.047 176.600 -0.207 0.000 1.048 369 K CA 1.584 57.762 56.287 -0.182 0.000 0.927 369 K CB -0.338 32.083 32.500 -0.131 0.000 0.712 369 K HN 0.199 nan 8.250 nan 0.000 0.441 370 V N 1.767 121.567 119.914 -0.191 0.000 2.295 370 V HA -0.256 3.865 4.120 0.000 0.000 0.246 370 V C 2.267 178.231 176.094 -0.217 0.000 1.049 370 V CA 1.895 64.103 62.300 -0.153 0.000 1.024 370 V CB -0.398 31.371 31.823 -0.090 0.000 0.648 370 V HN 0.370 nan 8.190 nan 0.000 0.447 371 K N -0.236 119.946 120.400 -0.364 0.000 2.026 371 K HA -0.213 4.108 4.320 0.000 0.000 0.208 371 K C 2.409 178.645 176.600 -0.606 0.000 1.048 371 K CA 1.681 57.663 56.287 -0.509 0.000 0.929 371 K CB -0.299 31.740 32.500 -0.768 0.000 0.713 371 K HN 0.302 nan 8.250 nan 0.000 0.439 372 R N 1.679 121.703 120.500 -0.795 0.000 2.083 372 R HA -0.177 4.163 4.340 0.000 0.000 0.237 372 R C 1.850 178.085 176.300 -0.108 0.000 1.137 372 R CA 1.792 57.683 56.100 -0.347 0.000 0.951 372 R CB -0.008 30.184 30.300 -0.180 0.000 0.851 372 R HN 0.247 nan 8.270 nan 0.000 0.434 373 E N 0.249 120.373 120.200 -0.128 0.000 2.106 373 E HA -0.198 4.152 4.350 0.000 0.000 0.192 373 E C 1.928 178.506 176.600 -0.036 0.000 0.984 373 E CA 1.017 57.379 56.400 -0.063 0.000 0.806 373 E CB -0.083 29.574 29.700 -0.071 0.000 0.750 373 E HN 0.209 nan 8.360 nan 0.000 0.458 374 L N 1.530 122.719 121.223 -0.056 0.000 2.027 374 L HA -0.168 4.172 4.340 0.000 0.000 0.206 374 L C 2.223 179.107 176.870 0.024 0.000 1.074 374 L CA 1.889 56.717 54.840 -0.019 0.000 0.745 374 L CB -0.345 41.694 42.059 -0.033 0.000 0.898 374 L HN 0.050 nan 8.230 nan 0.000 0.433 375 E N -0.526 119.700 120.200 0.044 0.000 2.058 375 E HA -0.266 4.084 4.350 0.000 0.000 0.194 375 E C 2.061 178.715 176.600 0.090 0.000 0.997 375 E CA 1.297 57.758 56.400 0.102 0.000 0.801 375 E CB -0.182 29.633 29.700 0.192 0.000 0.746 375 E HN 0.628 nan 8.360 nan 0.000 0.450 376 A N 0.963 123.825 122.820 0.070 0.000 1.877 376 A HA -0.153 4.167 4.320 0.000 0.000 0.216 376 A C 2.218 179.836 177.584 0.057 0.000 1.186 376 A CA 1.180 53.252 52.037 0.058 0.000 0.620 376 A CB -0.670 18.354 19.000 0.041 0.000 0.822 376 A HN 0.310 nan 8.150 nan 0.000 0.443 377 L N -0.677 120.578 121.223 0.054 0.000 2.093 377 L HA -0.164 4.176 4.340 0.000 0.000 0.208 377 L C 2.563 179.509 176.870 0.127 0.000 1.085 377 L CA 0.842 55.724 54.840 0.069 0.000 0.755 377 L CB -0.490 41.601 42.059 0.054 0.000 0.904 377 L HN 0.384 nan 8.230 nan 0.000 0.435 378 L N -0.291 121.019 121.223 0.143 0.000 2.012 378 L HA -0.271 4.069 4.340 0.000 0.000 0.210 378 L C 2.658 179.652 176.870 0.207 0.000 1.073 378 L CA 1.602 56.587 54.840 0.243 0.000 0.748 378 L CB -0.463 41.699 42.059 0.170 0.000 0.891 378 L HN 0.209 nan 8.230 nan 0.000 0.431 379 K N -0.095 120.377 120.400 0.119 0.000 2.026 379 K HA -0.203 4.117 4.320 0.000 0.000 0.208 379 K C 2.007 178.627 176.600 0.034 0.000 1.048 379 K CA 1.548 57.878 56.287 0.071 0.000 0.929 379 K CB -0.166 32.368 32.500 0.057 0.000 0.713 379 K HN 0.315 nan 8.250 nan 0.000 0.439 380 E N 0.750 120.974 120.200 0.039 0.000 2.160 380 E HA -0.197 4.153 4.350 0.000 0.000 0.195 380 E C 1.486 178.075 176.600 -0.019 0.000 0.991 380 E CA 1.052 57.459 56.400 0.012 0.000 0.810 380 E CB 0.121 29.834 29.700 0.022 0.000 0.742 380 E HN 0.326 nan 8.360 nan 0.000 0.466 381 Q N -0.961 118.830 119.800 -0.015 0.000 2.246 381 Q HA 0.135 4.476 4.340 0.000 0.000 0.202 381 Q C 0.570 176.323 176.000 -0.413 0.000 0.883 381 Q CA 0.293 56.015 55.803 -0.134 0.000 0.952 381 Q CB 1.220 29.972 28.738 0.023 0.000 1.078 381 Q HN 0.354 nan 8.270 nan 0.000 0.493 382 G N 0.982 109.633 108.800 -0.248 0.000 2.147 382 G HA2 -0.282 3.678 3.960 0.000 0.000 0.244 382 G HA3 -0.282 3.678 3.960 0.000 0.000 0.244 382 G C -0.230 174.492 174.900 -0.298 0.000 1.005 382 G CA -0.205 44.741 45.100 -0.257 0.000 0.713 382 G HN 0.321 nan 8.290 nan 0.000 0.515 383 F N 0.344 120.300 119.950 0.010 0.000 2.410 383 F HA 0.501 5.028 4.527 0.000 0.000 0.348 383 F C 1.804 177.613 175.800 0.016 0.000 1.106 383 F CA 0.136 58.143 58.000 0.012 0.000 1.163 383 F CB 1.508 40.515 39.000 0.012 0.000 1.129 383 F HN -0.004 nan 8.300 nan 0.000 0.516 384 G N 1.951 110.875 108.800 0.207 0.000 2.443 384 G HA2 0.331 4.292 3.960 0.000 0.000 0.219 384 G HA3 0.331 4.292 3.960 0.000 0.000 0.219 384 G C 0.530 175.501 174.900 0.118 0.000 1.131 384 G CA 0.729 45.903 45.100 0.124 0.000 0.775 384 G HN 0.979 nan 8.290 nan 0.000 0.547 385 G N -2.137 106.744 108.800 0.135 0.000 2.488 385 G HA2 0.329 4.289 3.960 0.000 0.000 0.301 385 G HA3 0.329 4.289 3.960 0.000 0.000 0.301 385 G C 0.415 175.335 174.900 0.034 0.000 1.339 385 G CA 0.178 45.329 45.100 0.086 0.000 0.803 385 G HN 0.078 nan 8.290 nan 0.000 0.482 386 V N 0.371 120.285 119.914 0.001 0.000 2.324 386 V HA -0.177 3.943 4.120 0.000 0.000 0.250 386 V C 3.148 179.182 176.094 -0.100 0.000 1.060 386 V CA 3.009 65.270 62.300 -0.066 0.000 1.042 386 V CB -0.898 30.908 31.823 -0.029 0.000 0.650 386 V HN 0.862 nan 8.190 nan 0.000 0.450 387 T N -0.636 113.893 114.554 -0.041 0.000 2.759 387 T HA -0.247 4.103 4.350 0.000 0.000 0.269 387 T C 1.740 176.417 174.700 -0.039 0.000 1.042 387 T CA 1.777 63.857 62.100 -0.034 0.000 1.140 387 T CB -0.416 68.454 68.868 0.003 0.000 0.864 387 T HN 0.516 nan 8.240 nan 0.000 0.455 388 D N 1.068 121.460 120.400 -0.013 0.000 2.178 388 D HA 0.021 4.661 4.640 0.000 0.000 0.202 388 D C 2.071 178.322 176.300 -0.082 0.000 0.974 388 D CA 0.994 55.028 54.000 0.057 0.000 0.841 388 D CB -0.253 40.677 40.800 0.217 0.000 0.953 388 D HN 0.406 nan 8.370 nan 0.000 0.478 389 A N -0.143 122.402 122.820 -0.458 0.000 2.123 389 A HA 0.154 4.474 4.320 0.000 0.000 0.214 389 A C 1.162 178.487 177.584 -0.432 0.000 1.152 389 A CA -0.228 51.240 52.037 -0.948 0.000 0.728 389 A CB -0.355 17.843 19.000 -1.337 0.000 0.814 389 A HN 0.239 nan 8.150 nan 0.000 0.464 390 I N 0.793 121.213 120.570 -0.250 0.000 2.752 390 I HA 0.170 4.340 4.170 0.000 0.000 0.286 390 I C 1.554 177.561 176.117 -0.183 0.000 1.180 390 I CA 1.225 62.414 61.300 -0.185 0.000 1.404 390 I CB -0.125 37.816 38.000 -0.099 0.000 1.389 390 I HN 0.445 nan 8.210 nan 0.000 0.549 391 G N 4.544 113.136 108.800 -0.346 0.000 2.166 391 G HA2 -0.356 3.604 3.960 0.000 0.000 0.260 391 G HA3 -0.356 3.604 3.960 0.000 0.000 0.260 391 G C 1.128 175.992 174.900 -0.061 0.000 0.986 391 G CA 0.497 45.314 45.100 -0.472 0.000 0.683 391 G HN 0.885 nan 8.290 nan 0.000 0.527 392 A N 0.046 122.840 122.820 -0.043 0.000 1.978 392 A HA -0.012 4.308 4.320 0.000 0.000 0.220 392 A C 2.042 179.681 177.584 0.092 0.000 1.170 392 A CA 2.284 54.368 52.037 0.078 0.000 0.636 392 A CB -0.338 18.756 19.000 0.156 0.000 0.810 392 A HN 0.419 nan 8.150 nan 0.000 0.448 393 D N -0.700 119.719 120.400 0.031 0.000 2.182 393 D HA -0.136 4.505 4.640 0.000 0.000 0.201 393 D C 1.559 177.817 176.300 -0.070 0.000 0.986 393 D CA 1.157 55.130 54.000 -0.044 0.000 0.847 393 D CB -0.485 40.224 40.800 -0.151 0.000 0.942 393 D HN 0.668 nan 8.370 nan 0.000 0.467 394 H N -0.231 118.837 119.070 -0.003 0.000 2.546 394 H HA 0.136 4.692 4.556 0.000 0.000 0.277 394 H C 1.362 176.729 175.328 0.066 0.000 1.004 394 H CA 0.546 56.627 56.048 0.054 0.000 1.231 394 H CB 0.504 30.348 29.762 0.136 0.000 1.382 394 H HN 0.152 nan 8.280 nan 0.000 0.580 395 R N 0.555 121.151 120.500 0.160 0.000 2.362 395 R HA 0.151 4.491 4.340 0.000 0.000 0.227 395 R C 0.836 177.181 176.300 0.075 0.000 0.905 395 R CA -0.224 55.946 56.100 0.117 0.000 1.067 395 R CB 0.842 31.215 30.300 0.120 0.000 1.078 395 R HN 0.120 nan 8.270 nan 0.000 0.516 396 R N 0.000 120.534 120.500 0.057 0.000 2.786 396 R HA 0.000 4.340 4.340 0.000 0.000 0.208 396 R CA 0.000 56.119 56.100 0.032 0.000 0.921 396 R CB 0.000 30.309 30.300 0.015 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535