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 2bxv_1_A DATA FIRST_RESID 30 DATA SEQUENCE MATGDERFYA EHLMPTLQGL LDPESAHRLA VRFTSLGLLP XXXFQDSDML DATA SEQUENCE EVRVLGHKFR NPVGIAAGFD KHGEAVDGLY KMGFGFVEIG SVTPKPQEGN DATA SEQUENCE PRPRVFRLPE DQAVINRYGF NSHGLSVVEH RLRARQQKQA KLTEDGLPLG DATA SEQUENCE VNLGKNKTSV DAAEDYAEGV RVLGPLADYL VVNVSSPNTA GLXXXXGKAE 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 0.000 176.470 176.300 0.283 0.000 1.140 30 M CA 0.000 55.422 55.300 0.204 0.000 0.988 30 M CB 0.000 32.688 32.600 0.147 0.000 1.302 31 A N 0.158 123.102 122.820 0.208 0.000 2.480 31 A HA 0.437 4.756 4.320 -0.001 0.000 0.191 31 A C 1.501 179.161 177.584 0.125 0.000 1.503 31 A CA 0.868 53.000 52.037 0.158 0.000 1.110 31 A CB 0.170 19.226 19.000 0.093 0.000 1.401 31 A HN 0.330 nan 8.150 nan 0.000 0.533 32 T N -0.411 114.215 114.554 0.120 0.000 2.671 32 T HA 0.357 4.707 4.350 -0.001 0.000 0.250 32 T C 1.468 176.228 174.700 0.100 0.000 1.068 32 T CA 1.885 64.032 62.100 0.079 0.000 1.177 32 T CB -0.233 68.653 68.868 0.029 0.000 0.876 32 T HN 1.462 nan 8.240 nan 0.000 0.405 33 G N 1.553 110.451 108.800 0.162 0.000 2.165 33 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.144 33 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.144 33 G C -0.478 174.452 174.900 0.049 0.000 1.049 33 G CA -0.259 44.865 45.100 0.040 0.000 0.741 33 G HN 0.523 nan 8.290 nan 0.000 0.493 34 D N 0.488 121.004 120.400 0.192 0.000 2.317 34 D HA 0.247 4.887 4.640 -0.001 0.000 0.252 34 D C 1.299 177.737 176.300 0.231 0.000 1.174 34 D CA -0.173 53.935 54.000 0.180 0.000 0.866 34 D CB 0.910 41.822 40.800 0.188 0.000 1.127 34 D HN 0.416 nan 8.370 nan 0.000 0.467 35 E N 2.933 123.187 120.200 0.090 0.000 2.085 35 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 35 E C 1.938 178.585 176.600 0.079 0.000 0.994 35 E CA 1.201 57.631 56.400 0.051 0.000 0.801 35 E CB 0.288 29.962 29.700 -0.044 0.000 0.743 35 E HN 0.482 nan 8.360 nan 0.000 0.453 36 R N -0.213 120.322 120.500 0.058 0.000 2.075 36 R HA -0.115 4.225 4.340 -0.001 0.000 0.232 36 R C 2.269 178.577 176.300 0.013 0.000 1.126 36 R CA 1.178 57.279 56.100 0.002 0.000 0.963 36 R CB -0.423 29.869 30.300 -0.013 0.000 0.858 36 R HN 0.157 nan 8.270 nan 0.000 0.435 37 F N 0.731 120.683 119.950 0.004 0.000 2.069 37 F HA -0.245 4.281 4.527 -0.001 0.000 0.298 37 F C 1.811 177.634 175.800 0.039 0.000 1.113 37 F CA 1.399 59.398 58.000 -0.001 0.000 1.214 37 F CB -0.398 38.661 39.000 0.099 0.000 0.978 37 F HN -0.092 nan 8.300 nan 0.000 0.474 38 Y N 0.095 120.422 120.300 0.044 0.000 2.145 38 Y HA -0.128 4.422 4.550 -0.001 0.000 0.286 38 Y C 2.641 178.549 175.900 0.013 0.000 1.145 38 Y CA 1.627 59.730 58.100 0.005 0.000 1.148 38 Y CB -1.292 37.244 38.460 0.127 0.000 0.981 38 Y HN 0.137 nan 8.280 nan 0.000 0.507 39 A N -0.111 122.847 122.820 0.229 0.000 1.898 39 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 39 A C 1.969 179.632 177.584 0.131 0.000 1.181 39 A CA 1.969 54.169 52.037 0.273 0.000 0.620 39 A CB -0.488 18.563 19.000 0.086 0.000 0.819 39 A HN 0.542 nan 8.150 nan 0.000 0.442 40 E N -2.201 117.951 120.200 -0.080 0.000 2.276 40 E HA 0.028 4.377 4.350 -0.001 0.000 0.193 40 E C 1.380 177.894 176.600 -0.143 0.000 0.983 40 E CA 0.762 57.059 56.400 -0.173 0.000 0.861 40 E CB 0.042 29.517 29.700 -0.375 0.000 0.817 40 E HN 0.874 nan 8.360 nan 0.000 0.485 41 H N -0.725 118.190 119.070 -0.259 0.000 2.143 41 H HA 0.168 4.724 4.556 -0.001 0.000 0.238 41 H C 1.954 177.016 175.328 -0.444 0.000 0.914 41 H CA -0.271 55.539 56.048 -0.397 0.000 1.154 41 H CB 0.412 29.792 29.762 -0.636 0.000 1.359 41 H HN -0.085 nan 8.280 nan 0.000 0.493 42 L N 0.781 121.661 121.223 -0.571 0.000 1.955 42 L HA -0.211 4.129 4.340 -0.001 0.000 0.213 42 L C 2.082 178.838 176.870 -0.191 0.000 1.072 42 L CA 1.289 55.868 54.840 -0.436 0.000 0.755 42 L CB -0.098 41.564 42.059 -0.662 0.000 0.888 42 L HN 0.267 nan 8.230 nan 0.000 0.432 43 M N -0.429 119.114 119.600 -0.095 0.000 2.082 43 M HA -0.154 4.326 4.480 -0.001 0.000 0.258 43 M C 0.020 176.318 176.300 -0.004 0.000 1.069 43 M CA 2.063 57.363 55.300 -0.000 0.000 1.102 43 M CB -2.596 30.067 32.600 0.105 0.000 1.336 43 M HN 0.162 nan 8.290 nan 0.000 0.404 44 P HA -0.085 nan 4.420 nan 0.000 0.216 44 P C 1.512 178.810 177.300 -0.002 0.000 1.150 44 P CA 1.421 64.540 63.100 0.032 0.000 0.837 44 P CB -0.203 31.532 31.700 0.058 0.000 0.786 45 T N -0.359 114.174 114.554 -0.034 0.000 2.812 45 T HA -0.093 4.257 4.350 -0.001 0.000 0.264 45 T C 1.642 176.316 174.700 -0.044 0.000 1.042 45 T CA 0.749 62.824 62.100 -0.042 0.000 1.140 45 T CB -0.856 67.972 68.868 -0.067 0.000 0.870 45 T HN 0.001 nan 8.240 nan 0.000 0.445 46 L N 1.461 122.649 121.223 -0.058 0.000 2.046 46 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 46 L C 2.277 179.119 176.870 -0.047 0.000 1.077 46 L CA 1.756 56.558 54.840 -0.062 0.000 0.747 46 L CB -0.681 41.330 42.059 -0.079 0.000 0.896 46 L HN 0.070 nan 8.230 nan 0.000 0.432 47 Q N -0.272 119.504 119.800 -0.039 0.000 2.224 47 Q HA -0.015 4.325 4.340 -0.001 0.000 0.203 47 Q C 2.098 178.087 176.000 -0.019 0.000 0.970 47 Q CA 1.320 57.103 55.803 -0.034 0.000 0.865 47 Q CB -0.829 27.891 28.738 -0.030 0.000 0.922 47 Q HN 0.643 nan 8.270 nan 0.000 0.445 48 G N -0.434 108.357 108.800 -0.014 0.000 2.712 48 G HA2 0.036 3.996 3.960 -0.001 0.000 0.212 48 G HA3 0.036 3.996 3.960 -0.001 0.000 0.212 48 G C 1.319 176.213 174.900 -0.011 0.000 1.142 48 G CA 0.023 45.119 45.100 -0.007 0.000 0.789 48 G HN 0.246 nan 8.290 nan 0.000 0.535 49 L N -0.985 120.228 121.223 -0.018 0.000 2.500 49 L HA 0.443 4.783 4.340 -0.001 0.000 0.219 49 L C 0.503 177.363 176.870 -0.016 0.000 1.057 49 L CA 0.228 55.059 54.840 -0.016 0.000 0.854 49 L CB 0.176 42.223 42.059 -0.020 0.000 1.078 49 L HN 0.024 nan 8.230 nan 0.000 0.480 50 L N -0.061 121.148 121.223 -0.022 0.000 2.354 50 L HA 0.329 4.668 4.340 -0.001 0.000 0.264 50 L C -0.707 176.148 176.870 -0.025 0.000 1.008 50 L CA -1.059 53.769 54.840 -0.021 0.000 0.819 50 L CB 1.958 44.003 42.059 -0.025 0.000 1.339 50 L HN 0.069 nan 8.230 nan 0.000 0.420 51 D N 1.539 121.924 120.400 -0.025 0.000 2.360 51 D HA 0.065 4.705 4.640 -0.001 0.000 0.242 51 D C -2.030 174.241 176.300 -0.049 0.000 1.184 51 D CA -1.313 52.663 54.000 -0.040 0.000 0.930 51 D CB 1.054 41.826 40.800 -0.047 0.000 1.161 51 D HN 0.260 nan 8.370 nan 0.000 0.447 52 P HA -0.236 nan 4.420 nan 0.000 0.216 52 P C 1.308 178.596 177.300 -0.020 0.000 1.153 52 P CA 1.525 64.577 63.100 -0.081 0.000 0.858 52 P CB 0.193 31.804 31.700 -0.149 0.000 0.789 53 E N -0.107 120.073 120.200 -0.034 0.000 2.072 53 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 53 E C 2.125 178.788 176.600 0.105 0.000 0.985 53 E CA 1.203 57.648 56.400 0.075 0.000 0.801 53 E CB -0.243 29.476 29.700 0.032 0.000 0.750 53 E HN 0.081 nan 8.360 nan 0.000 0.452 54 S N 0.377 116.101 115.700 0.040 0.000 2.382 54 S HA -0.151 4.318 4.470 -0.001 0.000 0.228 54 S C 2.005 176.618 174.600 0.022 0.000 1.027 54 S CA 0.914 59.133 58.200 0.031 0.000 0.991 54 S CB -0.243 62.962 63.200 0.009 0.000 0.823 54 S HN 0.485 nan 8.310 nan 0.000 0.469 55 A N 1.600 124.430 122.820 0.018 0.000 1.902 55 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 55 A C 1.978 179.585 177.584 0.040 0.000 1.181 55 A CA 1.768 53.807 52.037 0.003 0.000 0.623 55 A CB -1.052 17.941 19.000 -0.011 0.000 0.818 55 A HN 0.712 nan 8.150 nan 0.000 0.443 56 H N -0.054 119.021 119.070 0.009 0.000 2.321 56 H HA -0.079 4.476 4.556 -0.001 0.000 0.300 56 H C 2.244 177.549 175.328 -0.039 0.000 1.087 56 H CA 1.787 57.849 56.048 0.024 0.000 1.319 56 H CB -0.098 29.688 29.762 0.039 0.000 1.379 56 H HN 0.468 nan 8.280 nan 0.000 0.501 57 R N -0.093 120.313 120.500 -0.157 0.000 2.091 57 R HA -0.133 4.207 4.340 -0.001 0.000 0.238 57 R C 2.587 178.807 176.300 -0.133 0.000 1.136 57 R CA 1.270 57.256 56.100 -0.190 0.000 0.959 57 R CB -0.286 30.006 30.300 -0.014 0.000 0.856 57 R HN 0.237 nan 8.270 nan 0.000 0.437 58 L N 0.793 121.980 121.223 -0.060 0.000 2.093 58 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 58 L C 2.245 179.121 176.870 0.009 0.000 1.085 58 L CA 1.752 56.592 54.840 -0.001 0.000 0.755 58 L CB -0.606 41.412 42.059 -0.069 0.000 0.904 58 L HN 0.129 nan 8.230 nan 0.000 0.435 59 A N -1.164 121.624 122.820 -0.054 0.000 1.902 59 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 59 A C 2.248 179.884 177.584 0.086 0.000 1.181 59 A CA 2.055 54.129 52.037 0.062 0.000 0.623 59 A CB -1.068 18.042 19.000 0.184 0.000 0.818 59 A HN 0.294 nan 8.150 nan 0.000 0.443 60 V N 0.084 119.867 119.914 -0.219 0.000 2.343 60 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 60 V C 2.632 178.707 176.094 -0.032 0.000 1.051 60 V CA 2.166 64.300 62.300 -0.277 0.000 1.036 60 V CB -0.867 30.648 31.823 -0.515 0.000 0.654 60 V HN 0.518 nan 8.190 nan 0.000 0.451 61 R N -0.817 119.703 120.500 0.034 0.000 2.080 61 R HA -0.161 4.178 4.340 -0.001 0.000 0.236 61 R C 2.288 178.686 176.300 0.164 0.000 1.137 61 R CA 1.945 58.108 56.100 0.104 0.000 0.943 61 R CB -0.614 29.781 30.300 0.158 0.000 0.846 61 R HN 0.399 nan 8.270 nan 0.000 0.431 62 F N 0.969 120.932 119.950 0.023 0.000 2.134 62 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 62 F C 2.660 178.500 175.800 0.068 0.000 1.097 62 F CA 1.500 59.532 58.000 0.053 0.000 1.264 62 F CB -0.833 38.213 39.000 0.076 0.000 1.001 62 F HN 0.017 nan 8.300 nan 0.000 0.479 63 T N -0.704 114.014 114.554 0.273 0.000 2.708 63 T HA -0.191 4.159 4.350 -0.001 0.000 0.266 63 T C 2.276 177.049 174.700 0.122 0.000 1.037 63 T CA 1.746 63.969 62.100 0.205 0.000 1.146 63 T CB -0.678 68.350 68.868 0.267 0.000 0.865 63 T HN 0.392 nan 8.240 nan 0.000 0.435 64 S N 1.657 117.408 115.700 0.085 0.000 2.419 64 S HA 0.021 4.491 4.470 -0.001 0.000 0.233 64 S C 1.783 176.400 174.600 0.028 0.000 1.016 64 S CA 0.797 59.023 58.200 0.044 0.000 0.974 64 S CB -0.676 62.536 63.200 0.020 0.000 0.786 64 S HN 0.469 nan 8.310 nan 0.000 0.492 65 L N 0.871 122.101 121.223 0.012 0.000 2.592 65 L HA 0.343 4.682 4.340 -0.001 0.000 0.227 65 L C 1.795 178.658 176.870 -0.011 0.000 1.127 65 L CA 0.258 55.080 54.840 -0.029 0.000 0.884 65 L CB -0.611 41.379 42.059 -0.114 0.000 1.065 65 L HN 0.572 nan 8.230 nan 0.000 0.457 66 G N 0.889 109.710 108.800 0.035 0.000 2.155 66 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.257 66 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.257 66 G C 0.376 175.311 174.900 0.059 0.000 0.983 66 G CA -0.105 45.026 45.100 0.051 0.000 0.676 66 G HN 0.310 nan 8.290 nan 0.000 0.528 67 L N 0.787 122.045 121.223 0.058 0.000 2.382 67 L HA 0.440 4.780 4.340 -0.001 0.000 0.259 67 L C 0.643 177.642 176.870 0.216 0.000 1.291 67 L CA 0.111 55.010 54.840 0.098 0.000 1.176 67 L CB -0.364 41.689 42.059 -0.011 0.000 1.373 67 L HN 0.160 nan 8.230 nan 0.000 0.426 68 L N 2.236 123.555 121.223 0.160 0.000 2.333 68 L HA 0.676 5.015 4.340 -0.001 0.000 0.263 68 L C -1.973 174.977 176.870 0.133 0.000 1.014 68 L CA -1.899 53.036 54.840 0.158 0.000 0.820 68 L CB 1.854 43.974 42.059 0.102 0.000 1.352 68 L HN 0.193 nan 8.230 nan 0.000 0.421 74 Q N 4.663 123.992 119.800 -0.786 0.000 2.278 74 Q HA 0.281 4.620 4.340 -0.001 0.000 0.257 74 Q C -1.141 174.342 176.000 -0.861 0.000 0.928 74 Q CA -1.004 54.454 55.803 -0.575 0.000 0.932 74 Q CB 1.501 30.036 28.738 -0.337 0.000 1.221 74 Q HN 0.435 nan 8.270 nan 0.000 0.434 75 D N 2.179 122.354 120.400 -0.375 0.000 2.450 75 D HA 0.003 4.642 4.640 -0.001 0.000 0.247 75 D C 0.215 176.445 176.300 -0.117 0.000 1.162 75 D CA 0.349 54.274 54.000 -0.126 0.000 0.879 75 D CB 0.790 41.632 40.800 0.070 0.000 1.163 75 D HN 0.457 nan 8.370 nan 0.000 0.472 76 S N 1.448 117.116 115.700 -0.052 0.000 2.652 76 S HA 0.155 4.625 4.470 -0.001 0.000 0.270 76 S C 0.738 175.357 174.600 0.032 0.000 1.243 76 S CA -0.760 57.428 58.200 -0.020 0.000 0.999 76 S CB 1.465 64.674 63.200 0.015 0.000 0.973 76 S HN 0.173 nan 8.310 nan 0.000 0.544 77 D N 0.971 121.386 120.400 0.025 0.000 2.265 77 D HA -0.080 4.559 4.640 -0.001 0.000 0.208 77 D C 1.691 178.024 176.300 0.056 0.000 0.977 77 D CA 1.248 55.272 54.000 0.038 0.000 0.871 77 D CB -0.353 40.464 40.800 0.028 0.000 0.925 77 D HN 0.575 nan 8.370 nan 0.000 0.485 78 M N -0.301 119.336 119.600 0.062 0.000 2.213 78 M HA -0.098 4.381 4.480 -0.001 0.000 0.263 78 M C 1.814 178.163 176.300 0.080 0.000 1.062 78 M CA 0.994 56.338 55.300 0.073 0.000 1.105 78 M CB -0.090 32.559 32.600 0.082 0.000 1.385 78 M HN 0.035 nan 8.290 nan 0.000 0.417 79 L N -0.474 120.810 121.223 0.101 0.000 2.554 79 L HA 0.009 4.348 4.340 -0.001 0.000 0.226 79 L C 1.098 178.037 176.870 0.115 0.000 1.137 79 L CA -0.039 54.870 54.840 0.115 0.000 0.863 79 L CB -0.537 41.622 42.059 0.166 0.000 0.985 79 L HN 0.302 nan 8.230 nan 0.000 0.451 80 E N 1.066 121.328 120.200 0.103 0.000 2.384 80 E HA 0.252 4.602 4.350 -0.001 0.000 0.266 80 E C -1.138 175.522 176.600 0.101 0.000 1.012 80 E CA -0.130 56.338 56.400 0.114 0.000 0.901 80 E CB 1.006 30.761 29.700 0.091 0.000 0.967 80 E HN -0.129 nan 8.360 nan 0.000 0.435 81 V N 4.599 124.595 119.914 0.136 0.000 2.841 81 V HA 0.398 4.518 4.120 -0.001 0.000 0.310 81 V C -0.580 175.616 176.094 0.170 0.000 1.090 81 V CA -0.864 61.490 62.300 0.091 0.000 0.930 81 V CB 1.916 33.733 31.823 -0.011 0.000 1.014 81 V HN 0.725 nan 8.190 nan 0.000 0.425 82 R N 3.455 124.021 120.500 0.110 0.000 2.360 82 R HA 0.842 5.182 4.340 -0.001 0.000 0.318 82 R C -1.298 175.055 176.300 0.089 0.000 0.950 82 R CA -0.283 55.905 56.100 0.146 0.000 0.837 82 R CB 1.621 31.974 30.300 0.089 0.000 1.165 82 R HN 0.768 nan 8.270 nan 0.000 0.458 83 V N 1.038 121.041 119.914 0.149 0.000 3.258 83 V HA 0.409 4.529 4.120 -0.001 0.000 0.299 83 V C 0.339 176.529 176.094 0.160 0.000 1.376 83 V CA -1.213 61.119 62.300 0.052 0.000 1.063 83 V CB 1.712 33.466 31.823 -0.116 0.000 1.103 83 V HN 0.849 nan 8.190 nan 0.000 0.451 84 L N 0.790 122.053 121.223 0.067 0.000 3.976 84 L HA -0.175 4.165 4.340 -0.001 0.000 0.418 84 L C 1.427 178.360 176.870 0.104 0.000 1.177 84 L CA 0.965 55.871 54.840 0.109 0.000 0.968 84 L CB -1.653 40.507 42.059 0.169 0.000 1.933 84 L HN 2.130 nan 8.230 nan 0.000 0.976 85 G N -1.174 107.617 108.800 -0.015 0.000 2.160 85 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.244 85 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.244 85 G C 0.080 174.656 174.900 -0.539 0.000 1.022 85 G CA 0.489 45.450 45.100 -0.232 0.000 0.741 85 G HN 0.645 nan 8.290 nan 0.000 0.508 86 H N -1.287 117.837 119.070 0.091 0.000 3.017 86 H HA 0.481 5.036 4.556 -0.001 0.000 0.346 86 H C -0.420 174.944 175.328 0.060 0.000 1.286 86 H CA -0.605 55.444 56.048 0.002 0.000 1.120 86 H CB 1.748 31.416 29.762 -0.157 0.000 1.860 86 H HN 0.258 nan 8.280 nan 0.000 0.542 87 K N 1.515 121.962 120.400 0.079 0.000 2.159 87 K HA 0.419 4.739 4.320 -0.001 0.000 0.266 87 K C -1.430 175.151 176.600 -0.031 0.000 0.975 87 K CA -0.408 55.942 56.287 0.105 0.000 0.865 87 K CB 0.650 33.182 32.500 0.053 0.000 1.087 87 K HN 0.202 nan 8.250 nan 0.000 0.446 88 F N 3.659 123.642 119.950 0.056 0.000 2.427 88 F HA 0.412 4.939 4.527 -0.001 0.000 0.348 88 F C 1.281 177.138 175.800 0.094 0.000 1.125 88 F CA -0.886 57.160 58.000 0.077 0.000 0.989 88 F CB 1.685 40.706 39.000 0.034 0.000 1.165 88 F HN 0.624 nan 8.300 nan 0.000 0.442 89 R N 1.465 122.098 120.500 0.222 0.000 2.119 89 R HA -0.198 4.141 4.340 -0.001 0.000 0.246 89 R C -0.070 176.355 176.300 0.209 0.000 1.146 89 R CA 1.827 58.031 56.100 0.173 0.000 0.962 89 R CB -0.289 30.093 30.300 0.137 0.000 0.863 89 R HN 0.811 nan 8.270 nan 0.000 0.442 90 N N -2.258 116.612 118.700 0.283 0.000 2.494 90 N HA 0.145 4.885 4.740 -0.001 0.000 0.270 90 N C -2.660 173.047 175.510 0.329 0.000 1.285 90 N CA -1.624 51.583 53.050 0.262 0.000 0.812 90 N CB 1.873 40.508 38.487 0.247 0.000 1.557 90 N HN -0.326 nan 8.380 nan 0.000 0.487 91 P HA 0.087 nan 4.420 nan 0.000 0.255 91 P C -0.706 176.813 177.300 0.364 0.000 1.301 91 P CA 0.147 63.386 63.100 0.231 0.000 0.817 91 P CB 0.209 31.957 31.700 0.082 0.000 1.259 92 V N 0.538 120.659 119.914 0.346 0.000 2.333 92 V HA 0.620 4.740 4.120 -0.001 0.000 0.274 92 V C 0.909 177.143 176.094 0.232 0.000 1.028 92 V CA -0.395 62.066 62.300 0.269 0.000 0.851 92 V CB 1.091 33.006 31.823 0.153 0.000 1.000 92 V HN 0.109 nan 8.190 nan 0.000 0.456 93 G N 3.394 112.096 108.800 -0.162 0.000 2.568 93 G HA2 0.686 4.646 3.960 -0.001 0.000 0.313 93 G HA3 0.686 4.646 3.960 -0.001 0.000 0.313 93 G C -1.224 173.248 174.900 -0.714 0.000 1.227 93 G CA -0.822 43.751 45.100 -0.879 0.000 0.979 93 G HN 0.574 nan 8.290 nan 0.000 0.486 94 I N 1.332 121.160 120.570 -1.238 0.000 2.325 94 I HA 0.610 4.780 4.170 -0.001 0.000 0.291 94 I C 0.838 176.582 176.117 -0.623 0.000 1.019 94 I CA -0.576 59.963 61.300 -1.269 0.000 1.302 94 I CB 0.689 37.687 38.000 -1.670 0.000 1.401 94 I HN 0.663 nan 8.210 nan 0.000 0.485 95 A N 6.315 128.915 122.820 -0.368 0.000 2.406 95 A HA 0.662 4.981 4.320 -0.001 0.000 0.243 95 A C 0.503 177.997 177.584 -0.149 0.000 1.082 95 A CA 0.003 51.955 52.037 -0.142 0.000 0.786 95 A CB -0.181 18.839 19.000 0.033 0.000 1.029 95 A HN 1.119 nan 8.150 nan 0.000 0.495 96 A N -0.191 122.610 122.820 -0.031 0.000 2.483 96 A HA 0.500 4.820 4.320 -0.001 0.000 0.238 96 A C 1.547 179.134 177.584 0.005 0.000 1.070 96 A CA 0.896 52.914 52.037 -0.031 0.000 0.770 96 A CB -0.451 18.569 19.000 0.034 0.000 1.008 96 A HN 2.711 nan 8.150 nan 0.000 0.497 97 G N 0.111 108.871 108.800 -0.066 0.000 2.376 97 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.208 97 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.208 97 G C 0.933 175.748 174.900 -0.142 0.000 1.032 97 G CA 0.864 45.958 45.100 -0.010 0.000 0.641 97 G HN 1.269 nan 8.290 nan 0.000 0.503 98 F N 2.249 121.839 119.950 -0.600 0.000 2.128 98 F HA 0.315 4.841 4.527 -0.001 0.000 0.295 98 F C 0.975 176.663 175.800 -0.187 0.000 1.100 98 F CA 1.767 59.426 58.000 -0.568 0.000 1.260 98 F CB 0.321 38.760 39.000 -0.934 0.000 1.009 98 F HN 0.101 nan 8.300 nan 0.000 0.476 99 D N 0.240 120.444 120.400 -0.326 0.000 2.483 99 D HA 0.154 4.794 4.640 -0.001 0.000 0.281 99 D C 0.766 176.839 176.300 -0.379 0.000 1.174 99 D CA -0.061 53.715 54.000 -0.373 0.000 0.938 99 D CB 0.326 40.999 40.800 -0.211 0.000 1.002 99 D HN 0.161 nan 8.370 nan 0.000 0.501 100 K N 0.070 120.138 120.400 -0.553 0.000 2.147 100 K HA -0.089 4.231 4.320 -0.001 0.000 0.205 100 K C 0.719 176.957 176.600 -0.604 0.000 1.049 100 K CA 0.928 56.841 56.287 -0.623 0.000 0.936 100 K CB 0.185 32.197 32.500 -0.814 0.000 0.722 100 K HN 0.481 nan 8.250 nan 0.000 0.446 101 H N -1.162 117.734 119.070 -0.290 0.000 2.592 101 H HA 0.210 4.766 4.556 -0.001 0.000 0.279 101 H C 0.715 175.942 175.328 -0.169 0.000 1.089 101 H CA 0.379 56.250 56.048 -0.295 0.000 1.150 101 H CB 0.627 30.016 29.762 -0.622 0.000 1.575 101 H HN 0.304 nan 8.280 nan 0.000 0.547 102 G N 2.051 110.787 108.800 -0.108 0.000 2.295 102 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.287 102 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.287 102 G C 0.591 175.471 174.900 -0.035 0.000 1.055 102 G CA 0.546 45.603 45.100 -0.071 0.000 0.922 102 G HN 0.528 nan 8.290 nan 0.000 0.503 103 E N -0.798 119.370 120.200 -0.052 0.000 2.431 103 E HA 0.401 4.750 4.350 -0.001 0.000 0.200 103 E C 1.960 178.545 176.600 -0.024 0.000 0.995 103 E CA 0.584 56.973 56.400 -0.019 0.000 0.915 103 E CB 0.445 30.140 29.700 -0.007 0.000 0.930 103 E HN 0.747 nan 8.360 nan 0.000 0.496 104 A N 0.578 123.371 122.820 -0.045 0.000 2.610 104 A HA 0.237 4.557 4.320 -0.001 0.000 0.291 104 A C 1.564 179.137 177.584 -0.019 0.000 1.116 104 A CA -0.234 51.798 52.037 -0.007 0.000 0.963 104 A CB 0.062 19.075 19.000 0.022 0.000 1.220 104 A HN 0.022 nan 8.150 nan 0.000 0.530 105 V N 0.548 120.430 119.914 -0.053 0.000 2.231 105 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 105 V C 2.199 178.238 176.094 -0.092 0.000 1.054 105 V CA 2.604 64.829 62.300 -0.125 0.000 1.015 105 V CB -0.551 31.237 31.823 -0.059 0.000 0.638 105 V HN 0.587 nan 8.190 nan 0.000 0.444 106 D N 0.401 120.845 120.400 0.074 0.000 2.144 106 D HA -0.130 4.510 4.640 -0.001 0.000 0.199 106 D C 2.175 178.560 176.300 0.141 0.000 0.984 106 D CA 1.740 55.851 54.000 0.184 0.000 0.834 106 D CB -0.381 40.503 40.800 0.139 0.000 0.955 106 D HN 0.538 nan 8.370 nan 0.000 0.465 107 G N 0.966 109.817 108.800 0.085 0.000 2.422 107 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.218 107 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.218 107 G C 1.849 176.810 174.900 0.102 0.000 1.146 107 G CA 0.130 45.288 45.100 0.095 0.000 0.769 107 G HN 0.220 nan 8.290 nan 0.000 0.547 108 L N -1.108 120.144 121.223 0.050 0.000 2.093 108 L HA -0.025 4.314 4.340 -0.001 0.000 0.208 108 L C 2.627 179.575 176.870 0.130 0.000 1.085 108 L CA 0.841 55.723 54.840 0.069 0.000 0.755 108 L CB -0.394 41.592 42.059 -0.122 0.000 0.904 108 L HN 0.240 nan 8.230 nan 0.000 0.435 109 Y N -0.063 120.324 120.300 0.145 0.000 2.242 109 Y HA -0.267 4.282 4.550 -0.001 0.000 0.291 109 Y C 2.728 178.682 175.900 0.090 0.000 1.137 109 Y CA 1.156 59.333 58.100 0.127 0.000 1.181 109 Y CB -0.076 38.434 38.460 0.084 0.000 0.989 109 Y HN 0.083 nan 8.280 nan 0.000 0.527 110 K N 0.574 121.108 120.400 0.224 0.000 2.147 110 K HA -0.225 4.094 4.320 -0.001 0.000 0.205 110 K C 2.062 178.710 176.600 0.080 0.000 1.049 110 K CA 1.270 57.636 56.287 0.133 0.000 0.936 110 K CB -0.201 32.364 32.500 0.108 0.000 0.722 110 K HN 0.310 nan 8.250 nan 0.000 0.446 111 M N -0.914 118.727 119.600 0.068 0.000 2.476 111 M HA -0.041 4.439 4.480 -0.001 0.000 0.262 111 M C 0.715 176.917 176.300 -0.163 0.000 1.079 111 M CA 1.573 56.849 55.300 -0.041 0.000 1.104 111 M CB 0.365 32.950 32.600 -0.024 0.000 1.409 111 M HN 0.478 nan 8.290 nan 0.000 0.467 112 G N -0.542 108.218 108.800 -0.067 0.000 2.192 112 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.193 112 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.193 112 G C -0.067 174.790 174.900 -0.071 0.000 0.999 112 G CA -0.600 44.454 45.100 -0.076 0.000 0.659 112 G HN 0.387 nan 8.290 nan 0.000 0.503 113 F N 1.401 121.384 119.950 0.055 0.000 2.529 113 F HA 0.429 4.956 4.527 -0.001 0.000 0.365 113 F C 1.888 177.802 175.800 0.191 0.000 1.102 113 F CA 0.868 58.886 58.000 0.031 0.000 1.271 113 F CB 1.306 40.230 39.000 -0.127 0.000 1.120 113 F HN 0.024 nan 8.300 nan 0.000 0.579 114 G N 3.445 112.508 108.800 0.438 0.000 2.534 114 G HA2 0.035 3.994 3.960 -0.001 0.000 0.217 114 G HA3 0.035 3.994 3.960 -0.001 0.000 0.217 114 G C -0.220 175.121 174.900 0.736 0.000 1.128 114 G CA 0.321 45.741 45.100 0.532 0.000 0.784 114 G HN 0.615 nan 8.290 nan 0.000 0.542 115 F N -2.872 117.348 119.950 0.449 0.000 2.703 115 F HA 0.680 5.206 4.527 -0.001 0.000 0.308 115 F C -1.489 174.422 175.800 0.186 0.000 1.126 115 F CA -1.632 56.624 58.000 0.427 0.000 0.959 115 F CB 1.343 40.670 39.000 0.545 0.000 1.297 115 F HN -0.154 nan 8.300 nan 0.000 0.441 116 V N 1.345 121.308 119.914 0.082 0.000 2.604 116 V HA 0.520 4.640 4.120 -0.001 0.000 0.305 116 V C -1.019 175.011 176.094 -0.107 0.000 1.043 116 V CA -0.603 61.538 62.300 -0.265 0.000 0.888 116 V CB 1.766 33.268 31.823 -0.535 0.000 0.995 116 V HN 0.883 nan 8.190 nan 0.000 0.429 117 E N 4.370 124.468 120.200 -0.169 0.000 2.191 117 E HA 0.617 4.967 4.350 -0.001 0.000 0.263 117 E C -0.917 175.592 176.600 -0.151 0.000 0.881 117 E CA -0.620 55.721 56.400 -0.098 0.000 0.757 117 E CB 1.677 31.416 29.700 0.065 0.000 1.147 117 E HN 0.755 nan 8.360 nan 0.000 0.414 118 I N 1.132 121.612 120.570 -0.149 0.000 2.793 118 I HA 0.941 5.111 4.170 -0.001 0.000 0.313 118 I C 0.488 176.523 176.117 -0.137 0.000 0.998 118 I CA -0.221 60.985 61.300 -0.157 0.000 1.140 118 I CB 1.722 39.633 38.000 -0.148 0.000 1.327 118 I HN 0.730 nan 8.210 nan 0.000 0.491 119 G N 2.195 110.895 108.800 -0.168 0.000 2.422 119 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.607 119 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.607 119 G C -0.773 174.043 174.900 -0.140 0.000 1.270 119 G CA -0.458 44.549 45.100 -0.154 0.000 0.992 119 G HN 0.860 nan 8.290 nan 0.000 0.499 120 S N -1.134 114.496 115.700 -0.116 0.000 2.576 120 S HA 0.516 4.985 4.470 -0.001 0.000 0.276 120 S C 0.496 174.930 174.600 -0.275 0.000 1.339 120 S CA -0.127 57.936 58.200 -0.228 0.000 1.039 120 S CB 1.398 64.326 63.200 -0.454 0.000 0.902 120 S HN 1.198 nan 8.310 nan 0.000 0.516 121 V N 2.795 122.558 119.914 -0.253 0.000 2.459 121 V HA 0.542 4.662 4.120 -0.001 0.000 0.295 121 V C 0.494 176.440 176.094 -0.247 0.000 1.029 121 V CA -0.903 61.287 62.300 -0.184 0.000 0.874 121 V CB 1.580 33.337 31.823 -0.110 0.000 0.985 121 V HN 1.022 nan 8.190 nan 0.000 0.438 122 T N 2.075 116.511 114.554 -0.196 0.000 2.943 122 T HA 0.478 4.828 4.350 -0.001 0.000 0.284 122 T C -2.061 172.568 174.700 -0.117 0.000 1.015 122 T CA -2.082 59.901 62.100 -0.196 0.000 1.042 122 T CB 2.165 70.954 68.868 -0.133 0.000 1.055 122 T HN 0.339 nan 8.240 nan 0.000 0.500 123 P HA -0.061 nan 4.420 nan 0.000 0.213 123 P C 0.204 177.477 177.300 -0.045 0.000 1.170 123 P CA 1.320 64.373 63.100 -0.078 0.000 0.902 123 P CB 0.155 31.807 31.700 -0.080 0.000 0.789 124 K N -0.995 119.385 120.400 -0.034 0.000 2.098 124 K HA 0.402 4.721 4.320 -0.001 0.000 0.258 124 K C -2.468 174.131 176.600 -0.002 0.000 0.973 124 K CA -2.857 53.422 56.287 -0.014 0.000 0.898 124 K CB -0.585 31.910 32.500 -0.009 0.000 1.057 124 K HN -0.108 nan 8.250 nan 0.000 0.447 125 P HA 0.074 nan 4.420 nan 0.000 0.272 125 P C -0.958 176.359 177.300 0.029 0.000 1.223 125 P CA -0.078 63.033 63.100 0.019 0.000 0.784 125 P CB 0.456 32.156 31.700 -0.000 0.000 0.923 126 Q N -0.430 119.401 119.800 0.053 0.000 2.426 126 Q HA 0.332 4.671 4.340 -0.001 0.000 0.278 126 Q C -0.287 175.766 176.000 0.088 0.000 1.007 126 Q CA -0.736 55.106 55.803 0.064 0.000 0.850 126 Q CB 1.369 30.153 28.738 0.076 0.000 1.427 126 Q HN 0.268 nan 8.270 nan 0.000 0.391 127 E N 1.178 121.425 120.200 0.079 0.000 2.285 127 E HA 0.155 4.504 4.350 -0.001 0.000 0.194 127 E C 0.691 177.366 176.600 0.124 0.000 0.997 127 E CA 0.800 57.256 56.400 0.092 0.000 0.845 127 E CB 0.123 29.861 29.700 0.064 0.000 0.782 127 E HN 0.864 nan 8.360 nan 0.000 0.491 128 G N 1.488 110.361 108.800 0.122 0.000 2.660 128 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 128 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 128 G C -0.539 174.412 174.900 0.086 0.000 1.345 128 G CA -0.554 44.629 45.100 0.137 0.000 0.877 128 G HN 0.099 nan 8.290 nan 0.000 0.549 129 N N 1.952 120.691 118.700 0.065 0.000 2.444 129 N HA 0.464 5.203 4.740 -0.001 0.000 0.255 129 N C -1.819 173.695 175.510 0.007 0.000 1.255 129 N CA -0.366 52.697 53.050 0.022 0.000 0.933 129 N CB 0.466 38.950 38.487 -0.005 0.000 1.143 129 N HN 0.558 nan 8.380 nan 0.000 0.453 130 P HA 0.158 nan 4.420 nan 0.000 0.274 130 P C -0.381 176.899 177.300 -0.032 0.000 1.237 130 P CA -0.086 63.011 63.100 -0.005 0.000 0.793 130 P CB 1.107 32.809 31.700 0.003 0.000 0.977 131 R N 1.556 122.033 120.500 -0.038 0.000 2.531 131 R HA 0.400 4.740 4.340 -0.001 0.000 0.273 131 R C -1.467 174.813 176.300 -0.034 0.000 1.070 131 R CA -1.412 54.643 56.100 -0.075 0.000 1.112 131 R CB -0.383 29.875 30.300 -0.070 0.000 1.049 131 R HN 0.516 nan 8.270 nan 0.000 0.508 132 P HA 0.129 nan 4.420 nan 0.000 0.275 132 P C -0.476 176.679 177.300 -0.241 0.000 1.228 132 P CA -0.266 62.728 63.100 -0.177 0.000 0.786 132 P CB 0.895 32.525 31.700 -0.117 0.000 0.927 133 R N 0.674 120.851 120.500 -0.538 0.000 2.538 133 R HA 0.380 4.720 4.340 -0.001 0.000 0.372 133 R C -0.822 175.012 176.300 -0.777 0.000 0.950 133 R CA -0.289 55.499 56.100 -0.520 0.000 1.168 133 R CB 0.233 30.216 30.300 -0.529 0.000 1.542 133 R HN 0.296 nan 8.270 nan 0.000 0.536 134 V N 1.507 120.758 119.914 -1.105 0.000 2.808 134 V HA 0.668 4.787 4.120 -0.001 0.000 0.308 134 V C -2.062 173.384 176.094 -1.080 0.000 1.099 134 V CA -0.772 61.048 62.300 -0.799 0.000 0.920 134 V CB 2.057 33.595 31.823 -0.474 0.000 1.014 134 V HN 0.172 nan 8.190 nan 0.000 0.425 135 F N 4.802 124.687 119.950 -0.109 0.000 2.569 135 F HA 0.693 5.219 4.527 -0.001 0.000 0.312 135 F C 0.210 175.973 175.800 -0.062 0.000 1.109 135 F CA -0.786 57.168 58.000 -0.076 0.000 0.919 135 F CB 2.067 41.030 39.000 -0.063 0.000 1.211 135 F HN 0.292 nan 8.300 nan 0.000 0.446 136 R N 2.140 122.704 120.500 0.107 0.000 2.349 136 R HA 0.683 5.023 4.340 -0.001 0.000 0.299 136 R C -1.347 175.037 176.300 0.140 0.000 1.027 136 R CA -0.821 55.324 56.100 0.075 0.000 0.958 136 R CB 1.023 31.326 30.300 0.005 0.000 1.047 136 R HN 0.438 nan 8.270 nan 0.000 0.468 137 L N 5.104 126.440 121.223 0.189 0.000 2.495 137 L HA 0.299 4.639 4.340 -0.001 0.000 0.248 137 L C -1.978 174.978 176.870 0.143 0.000 1.229 137 L CA -1.694 53.225 54.840 0.131 0.000 0.942 137 L CB 1.467 43.576 42.059 0.083 0.000 1.242 137 L HN 0.425 nan 8.230 nan 0.000 0.484 138 P HA -0.200 nan 4.420 nan 0.000 0.216 138 P C 0.966 178.233 177.300 -0.055 0.000 1.157 138 P CA 1.292 64.455 63.100 0.105 0.000 0.880 138 P CB 0.432 32.210 31.700 0.131 0.000 0.791 139 E N -0.910 119.282 120.200 -0.013 0.000 2.333 139 E HA -0.123 4.227 4.350 -0.001 0.000 0.198 139 E C 1.004 177.571 176.600 -0.056 0.000 1.007 139 E CA 0.981 57.364 56.400 -0.028 0.000 0.845 139 E CB -0.571 29.125 29.700 -0.006 0.000 0.766 139 E HN 0.400 nan 8.360 nan 0.000 0.507 140 D N -0.528 119.828 120.400 -0.074 0.000 2.433 140 D HA 0.030 4.669 4.640 -0.001 0.000 0.211 140 D C -0.226 175.977 176.300 -0.161 0.000 1.114 140 D CA 0.003 53.956 54.000 -0.079 0.000 0.837 140 D CB 0.422 41.202 40.800 -0.033 0.000 0.984 140 D HN 0.044 nan 8.370 nan 0.000 0.505 141 Q N -0.019 119.565 119.800 -0.361 0.000 2.451 141 Q HA -0.183 4.157 4.340 -0.001 0.000 0.305 141 Q C -0.378 175.420 176.000 -0.338 0.000 1.345 141 Q CA 0.573 55.892 55.803 -0.805 0.000 0.854 141 Q CB -1.258 27.173 28.738 -0.512 0.000 1.162 141 Q HN 0.381 nan 8.270 nan 0.000 0.440 142 A N -0.736 122.075 122.820 -0.016 0.000 2.486 142 A HA 0.935 5.254 4.320 -0.001 0.000 0.289 142 A C -0.796 176.930 177.584 0.236 0.000 1.176 142 A CA -0.470 51.650 52.037 0.139 0.000 0.757 142 A CB 2.142 21.169 19.000 0.045 0.000 1.337 142 A HN 0.122 nan 8.150 nan 0.000 0.423 143 V N 0.350 120.327 119.914 0.105 0.000 2.971 143 V HA 0.526 4.646 4.120 -0.001 0.000 0.309 143 V C -1.042 175.071 176.094 0.030 0.000 1.130 143 V CA -0.259 62.065 62.300 0.039 0.000 0.964 143 V CB 1.989 33.759 31.823 -0.088 0.000 1.029 143 V HN 0.742 nan 8.190 nan 0.000 0.427 144 I N 3.626 124.240 120.570 0.073 0.000 2.498 144 I HA 0.533 4.703 4.170 -0.001 0.000 0.290 144 I C -0.805 175.390 176.117 0.130 0.000 1.032 144 I CA -0.448 60.911 61.300 0.097 0.000 1.073 144 I CB 2.193 40.262 38.000 0.115 0.000 1.251 144 I HN 0.933 nan 8.210 nan 0.000 0.426 145 N N 4.560 123.301 118.700 0.069 0.000 2.329 145 N HA 0.641 5.381 4.740 -0.001 0.000 0.282 145 N C -0.900 174.623 175.510 0.022 0.000 1.198 145 N CA -1.070 51.989 53.050 0.014 0.000 0.790 145 N CB 1.666 40.177 38.487 0.040 0.000 1.579 145 N HN 0.594 nan 8.380 nan 0.000 0.475 146 R N 0.592 121.059 120.500 -0.054 0.000 2.647 146 R HA 0.255 4.594 4.340 -0.001 0.000 0.295 146 R C -0.684 175.574 176.300 -0.070 0.000 1.267 146 R CA -0.641 55.442 56.100 -0.029 0.000 1.386 146 R CB -0.958 29.346 30.300 0.007 0.000 1.309 146 R HN 0.507 nan 8.270 nan 0.000 0.692 147 Y N 1.522 121.802 120.300 -0.033 0.000 2.165 147 Y HA -0.072 4.477 4.550 -0.001 0.000 0.286 147 Y C 1.992 177.890 175.900 -0.003 0.000 1.155 147 Y CA 2.158 60.248 58.100 -0.017 0.000 1.164 147 Y CB 0.132 38.589 38.460 -0.005 0.000 0.978 147 Y HN 0.716 nan 8.280 nan 0.000 0.513 148 G N -0.775 108.085 108.800 0.101 0.000 2.212 148 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.255 148 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.255 148 G C 0.193 175.168 174.900 0.124 0.000 1.062 148 G CA -0.068 45.027 45.100 -0.008 0.000 0.815 148 G HN 0.523 nan 8.290 nan 0.000 0.497 149 F N -1.186 118.823 119.950 0.099 0.000 2.985 149 F HA -0.240 4.286 4.527 -0.001 0.000 0.303 149 F C 0.999 176.843 175.800 0.073 0.000 0.976 149 F CA 0.179 58.216 58.000 0.061 0.000 1.013 149 F CB -1.559 37.466 39.000 0.042 0.000 1.060 149 F HN 0.671 nan 8.300 nan 0.000 0.780 150 N N 1.502 120.367 118.700 0.275 0.000 2.475 150 N HA 0.314 5.053 4.740 -0.001 0.000 0.267 150 N C -0.339 175.309 175.510 0.231 0.000 1.169 150 N CA 0.279 53.465 53.050 0.226 0.000 0.947 150 N CB 2.045 40.677 38.487 0.241 0.000 1.061 150 N HN 0.271 nan 8.380 nan 0.000 0.466 151 S N 0.856 116.677 115.700 0.202 0.000 2.533 151 S HA 0.227 4.696 4.470 -0.001 0.000 0.271 151 S C 0.087 174.766 174.600 0.132 0.000 1.143 151 S CA -0.743 57.574 58.200 0.194 0.000 0.891 151 S CB 0.746 63.993 63.200 0.079 0.000 1.105 151 S HN 0.641 nan 8.310 nan 0.000 0.468 152 H N 2.313 121.314 119.070 -0.116 0.000 2.546 152 H HA 0.266 4.822 4.556 -0.001 0.000 0.277 152 H C 1.306 176.593 175.328 -0.068 0.000 1.004 152 H CA 0.294 56.233 56.048 -0.181 0.000 1.231 152 H CB 0.208 29.812 29.762 -0.263 0.000 1.382 152 H HN 1.018 nan 8.280 nan 0.000 0.580 153 G N -0.121 108.731 108.800 0.085 0.000 2.690 153 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.686 153 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.686 153 G C 0.416 175.324 174.900 0.013 0.000 1.277 153 G CA -0.327 44.789 45.100 0.027 0.000 0.799 153 G HN 0.171 nan 8.290 nan 0.000 0.613 154 L N 0.617 121.828 121.223 -0.021 0.000 2.013 154 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 154 L C 3.210 180.055 176.870 -0.043 0.000 1.073 154 L CA 2.440 57.256 54.840 -0.039 0.000 0.753 154 L CB -0.766 41.261 42.059 -0.054 0.000 0.890 154 L HN 0.772 nan 8.230 nan 0.000 0.432 155 S N -0.441 115.243 115.700 -0.026 0.000 2.365 155 S HA -0.180 4.290 4.470 -0.001 0.000 0.225 155 S C 1.946 176.577 174.600 0.052 0.000 1.039 155 S CA 1.655 59.843 58.200 -0.019 0.000 1.033 155 S CB -0.190 63.039 63.200 0.049 0.000 0.887 155 S HN 0.194 nan 8.310 nan 0.000 0.447 156 V N 1.237 121.203 119.914 0.087 0.000 2.358 156 V HA -0.098 4.021 4.120 -0.001 0.000 0.246 156 V C 2.458 178.614 176.094 0.104 0.000 1.047 156 V CA 1.715 64.090 62.300 0.124 0.000 1.035 156 V CB -0.600 31.271 31.823 0.081 0.000 0.658 156 V HN 0.428 nan 8.190 nan 0.000 0.452 157 V N 0.038 119.989 119.914 0.062 0.000 2.358 157 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 157 V C 2.472 178.559 176.094 -0.011 0.000 1.047 157 V CA 2.218 64.539 62.300 0.035 0.000 1.035 157 V CB -0.598 31.231 31.823 0.011 0.000 0.658 157 V HN 0.693 nan 8.190 nan 0.000 0.452 158 E N 0.120 120.274 120.200 -0.077 0.000 2.049 158 E HA -0.303 4.047 4.350 -0.001 0.000 0.198 158 E C 2.111 178.618 176.600 -0.156 0.000 1.007 158 E CA 2.255 58.559 56.400 -0.160 0.000 0.809 158 E CB -0.226 29.301 29.700 -0.289 0.000 0.749 158 E HN 0.802 nan 8.360 nan 0.000 0.450 159 H N -0.539 118.531 119.070 -0.000 0.000 2.389 159 H HA -0.026 4.530 4.556 -0.001 0.000 0.299 159 H C 2.347 177.678 175.328 0.006 0.000 1.081 159 H CA 1.564 57.612 56.048 -0.000 0.000 1.345 159 H CB -0.008 29.752 29.762 -0.004 0.000 1.393 159 H HN 0.072 nan 8.280 nan 0.000 0.520 160 R N 0.664 121.235 120.500 0.118 0.000 2.081 160 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 160 R C 1.848 178.177 176.300 0.048 0.000 1.131 160 R CA 1.091 57.237 56.100 0.077 0.000 0.960 160 R CB -0.100 30.244 30.300 0.072 0.000 0.856 160 R HN 0.301 nan 8.270 nan 0.000 0.436 161 L N -0.220 121.019 121.223 0.027 0.000 2.109 161 L HA -0.061 4.278 4.340 -0.001 0.000 0.207 161 L C 2.568 179.452 176.870 0.023 0.000 1.086 161 L CA 1.043 55.892 54.840 0.016 0.000 0.760 161 L CB -0.346 41.710 42.059 -0.005 0.000 0.910 161 L HN 0.193 nan 8.230 nan 0.000 0.437 162 R N 0.174 120.688 120.500 0.022 0.000 2.120 162 R HA -0.118 4.222 4.340 -0.001 0.000 0.234 162 R C 2.330 178.656 176.300 0.043 0.000 1.123 162 R CA 1.199 57.318 56.100 0.030 0.000 0.975 162 R CB -0.357 29.963 30.300 0.034 0.000 0.866 162 R HN 0.321 nan 8.270 nan 0.000 0.446 163 A N 1.637 124.488 122.820 0.051 0.000 2.125 163 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 163 A C 1.625 179.230 177.584 0.035 0.000 1.156 163 A CA 1.222 53.285 52.037 0.044 0.000 0.671 163 A CB -0.211 18.816 19.000 0.045 0.000 0.794 163 A HN 0.418 nan 8.150 nan 0.000 0.459 164 R N -1.178 119.344 120.500 0.036 0.000 2.590 164 R HA 0.293 4.633 4.340 -0.001 0.000 0.410 164 R C 1.243 177.563 176.300 0.033 0.000 1.010 164 R CA 0.352 56.473 56.100 0.035 0.000 1.155 164 R CB -0.570 29.755 30.300 0.041 0.000 1.455 164 R HN 0.434 nan 8.270 nan 0.000 0.567 165 Q N 1.248 121.067 119.800 0.033 0.000 2.077 165 Q HA -0.205 4.134 4.340 -0.001 0.000 0.206 165 Q C 1.317 177.334 176.000 0.028 0.000 0.989 165 Q CA 1.959 57.783 55.803 0.035 0.000 0.853 165 Q CB 0.168 28.933 28.738 0.045 0.000 0.907 165 Q HN 0.349 nan 8.270 nan 0.000 0.418 166 Q N 0.378 120.192 119.800 0.025 0.000 2.123 166 Q HA -0.136 4.204 4.340 -0.001 0.000 0.199 166 Q C 1.813 177.815 176.000 0.003 0.000 0.966 166 Q CA 1.443 57.255 55.803 0.014 0.000 0.845 166 Q CB -0.257 28.489 28.738 0.015 0.000 0.907 166 Q HN 0.419 nan 8.270 nan 0.000 0.439 167 K N 0.690 121.095 120.400 0.008 0.000 2.057 167 K HA -0.233 4.087 4.320 -0.001 0.000 0.207 167 K C 2.044 178.637 176.600 -0.013 0.000 1.049 167 K CA 1.476 57.763 56.287 0.001 0.000 0.931 167 K CB 0.122 32.631 32.500 0.016 0.000 0.714 167 K HN -0.047 nan 8.250 nan 0.000 0.440 168 Q N 0.608 120.409 119.800 0.002 0.000 2.119 168 Q HA -0.040 4.299 4.340 -0.001 0.000 0.201 168 Q C 1.734 177.708 176.000 -0.043 0.000 0.972 168 Q CA 1.799 57.597 55.803 -0.009 0.000 0.847 168 Q CB -0.342 28.409 28.738 0.022 0.000 0.903 168 Q HN 0.422 nan 8.270 nan 0.000 0.433 169 A N 0.547 123.351 122.820 -0.028 0.000 1.940 169 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 169 A C 1.956 179.510 177.584 -0.050 0.000 1.176 169 A CA 1.788 53.804 52.037 -0.036 0.000 0.631 169 A CB -0.415 18.572 19.000 -0.021 0.000 0.814 169 A HN 0.396 nan 8.150 nan 0.000 0.446 170 K N -0.614 119.757 120.400 -0.050 0.000 2.103 170 K HA 0.088 4.407 4.320 -0.001 0.000 0.204 170 K C 1.846 178.390 176.600 -0.093 0.000 1.052 170 K CA 0.952 57.205 56.287 -0.058 0.000 0.945 170 K CB -0.289 32.184 32.500 -0.045 0.000 0.722 170 K HN 0.450 nan 8.250 nan 0.000 0.443 171 L N 0.634 121.779 121.223 -0.131 0.000 2.017 171 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 171 L C 2.435 179.171 176.870 -0.223 0.000 1.073 171 L CA 1.354 56.056 54.840 -0.230 0.000 0.745 171 L CB -0.761 41.079 42.059 -0.365 0.000 0.894 171 L HN 0.180 nan 8.230 nan 0.000 0.432 172 T N -0.977 113.468 114.554 -0.182 0.000 2.652 172 T HA -0.260 4.089 4.350 -0.001 0.000 0.267 172 T C 1.775 176.402 174.700 -0.122 0.000 1.039 172 T CA 1.744 63.733 62.100 -0.185 0.000 1.153 172 T CB -0.216 68.548 68.868 -0.175 0.000 0.863 172 T HN 0.225 nan 8.240 nan 0.000 0.428 173 E N 1.251 121.406 120.200 -0.074 0.000 2.209 173 E HA -0.148 4.202 4.350 -0.001 0.000 0.196 173 E C 1.646 178.215 176.600 -0.052 0.000 0.993 173 E CA 0.970 57.346 56.400 -0.041 0.000 0.819 173 E CB -0.292 29.388 29.700 -0.034 0.000 0.745 173 E HN 0.342 nan 8.360 nan 0.000 0.477 174 D N -1.440 118.912 120.400 -0.081 0.000 2.328 174 D HA 0.079 4.719 4.640 -0.001 0.000 0.226 174 D C 0.505 176.758 176.300 -0.078 0.000 1.066 174 D CA 0.767 54.721 54.000 -0.076 0.000 0.861 174 D CB 0.304 41.049 40.800 -0.091 0.000 0.912 174 D HN 0.355 nan 8.370 nan 0.000 0.521 175 G N 0.987 109.727 108.800 -0.100 0.000 2.131 175 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.223 175 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.223 175 G C 0.292 175.119 174.900 -0.121 0.000 0.990 175 G CA -0.210 44.832 45.100 -0.096 0.000 0.671 175 G HN 0.335 nan 8.290 nan 0.000 0.521 176 L N 0.725 121.831 121.223 -0.196 0.000 2.556 176 L HA 0.324 4.664 4.340 -0.001 0.000 0.243 176 L C -2.367 174.402 176.870 -0.168 0.000 1.331 176 L CA -1.967 52.760 54.840 -0.189 0.000 0.927 176 L CB 1.675 43.413 42.059 -0.534 0.000 1.219 176 L HN -0.106 nan 8.230 nan 0.000 0.490 177 P HA 0.106 nan 4.420 nan 0.000 0.270 177 P C -0.877 176.506 177.300 0.139 0.000 1.223 177 P CA -0.267 62.716 63.100 -0.195 0.000 0.785 177 P CB 0.880 32.245 31.700 -0.558 0.000 0.923 178 L N 1.731 122.962 121.223 0.013 0.000 2.362 178 L HA 0.779 5.118 4.340 -0.001 0.000 0.275 178 L C -0.205 176.503 176.870 -0.269 0.000 0.998 178 L CA -0.170 54.670 54.840 -0.000 0.000 0.820 178 L CB 1.259 43.323 42.059 0.008 0.000 1.270 178 L HN 0.459 nan 8.230 nan 0.000 0.415 179 G N 3.719 112.245 108.800 -0.456 0.000 2.432 179 G HA2 0.642 4.602 3.960 -0.001 0.000 0.331 179 G HA3 0.642 4.602 3.960 -0.001 0.000 0.331 179 G C -1.710 172.897 174.900 -0.488 0.000 1.170 179 G CA -0.562 43.864 45.100 -1.123 0.000 0.943 179 G HN 0.507 nan 8.290 nan 0.000 0.483 180 V N 2.382 122.074 119.914 -0.370 0.000 2.443 180 V HA 0.325 4.445 4.120 -0.001 0.000 0.293 180 V C -0.487 175.566 176.094 -0.069 0.000 1.021 180 V CA -1.272 60.931 62.300 -0.162 0.000 0.848 180 V CB 1.527 33.284 31.823 -0.110 0.000 0.998 180 V HN 0.745 nan 8.190 nan 0.000 0.424 181 N N 5.275 123.950 118.700 -0.042 0.000 2.419 181 N HA 0.454 5.194 4.740 -0.001 0.000 0.264 181 N C -1.015 174.480 175.510 -0.024 0.000 1.031 181 N CA -0.260 52.798 53.050 0.014 0.000 0.951 181 N CB 1.266 39.767 38.487 0.025 0.000 1.101 181 N HN 0.614 nan 8.380 nan 0.000 0.488 182 L N 2.229 123.472 121.223 0.033 0.000 2.309 182 L HA 0.613 4.953 4.340 -0.001 0.000 0.282 182 L C 1.172 178.034 176.870 -0.014 0.000 1.036 182 L CA -0.762 54.081 54.840 0.005 0.000 0.806 182 L CB 1.740 43.871 42.059 0.120 0.000 1.220 182 L HN 0.507 nan 8.230 nan 0.000 0.429 183 G N 1.975 110.578 108.800 -0.328 0.000 3.175 183 G HA2 0.725 4.684 3.960 -0.001 0.000 0.255 183 G HA3 0.725 4.684 3.960 -0.001 0.000 0.255 183 G C -1.487 173.061 174.900 -0.587 0.000 1.352 183 G CA -0.557 44.203 45.100 -0.566 0.000 1.037 183 G HN 0.619 nan 8.290 nan 0.000 0.556 184 K N -0.937 119.252 120.400 -0.351 0.000 2.477 184 K HA 0.463 4.783 4.320 -0.001 0.000 0.255 184 K C -0.948 175.656 176.600 0.007 0.000 0.952 184 K CA -0.877 55.258 56.287 -0.252 0.000 0.826 184 K CB 1.898 34.245 32.500 -0.256 0.000 1.331 184 K HN 0.386 nan 8.250 nan 0.000 0.437 185 N N 1.377 120.063 118.700 -0.023 0.000 2.479 185 N HA -0.017 4.723 4.740 -0.001 0.000 0.257 185 N C 0.560 176.117 175.510 0.078 0.000 1.232 185 N CA -0.219 52.857 53.050 0.043 0.000 0.920 185 N CB 1.047 39.538 38.487 0.008 0.000 1.105 185 N HN 0.687 nan 8.380 nan 0.000 0.444 186 K N 0.398 120.854 120.400 0.094 0.000 2.063 186 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 186 K C 1.132 177.761 176.600 0.048 0.000 1.048 186 K CA 1.567 57.898 56.287 0.074 0.000 0.928 186 K CB -0.098 32.441 32.500 0.065 0.000 0.713 186 K HN 0.764 nan 8.250 nan 0.000 0.442 187 T N -1.484 113.092 114.554 0.038 0.000 3.235 187 T HA 0.112 4.461 4.350 -0.001 0.000 0.251 187 T C 0.463 175.176 174.700 0.022 0.000 1.060 187 T CA -0.398 61.719 62.100 0.027 0.000 0.949 187 T CB 0.261 69.142 68.868 0.022 0.000 1.020 187 T HN 0.065 nan 8.240 nan 0.000 0.564 188 S N 0.253 115.967 115.700 0.023 0.000 2.549 188 S HA 0.280 4.750 4.470 -0.001 0.000 0.279 188 S C 1.045 175.659 174.600 0.023 0.000 1.321 188 S CA -0.686 57.523 58.200 0.015 0.000 1.054 188 S CB 0.748 63.949 63.200 0.002 0.000 0.899 188 S HN 0.253 nan 8.310 nan 0.000 0.497 189 V N 3.220 123.146 119.914 0.020 0.000 3.660 189 V HA 0.261 4.381 4.120 -0.001 0.000 0.276 189 V C 0.439 176.551 176.094 0.030 0.000 1.317 189 V CA 0.320 62.635 62.300 0.024 0.000 1.097 189 V CB 0.022 31.857 31.823 0.019 0.000 0.863 189 V HN 0.821 nan 8.190 nan 0.000 0.438 190 D N 0.154 120.573 120.400 0.030 0.000 2.378 190 D HA 0.483 5.122 4.640 -0.001 0.000 0.265 190 D C 1.011 177.344 176.300 0.055 0.000 1.229 190 D CA 0.429 54.454 54.000 0.041 0.000 0.914 190 D CB 1.631 42.450 40.800 0.032 0.000 1.140 190 D HN 0.072 nan 8.370 nan 0.000 0.516 191 A N 2.981 125.853 122.820 0.087 0.000 1.884 191 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 191 A C 2.164 179.891 177.584 0.237 0.000 1.197 191 A CA 2.253 54.380 52.037 0.150 0.000 0.637 191 A CB -0.557 18.570 19.000 0.213 0.000 0.827 191 A HN 0.577 nan 8.150 nan 0.000 0.450 192 A N -0.686 122.256 122.820 0.203 0.000 1.940 192 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 192 A C 1.978 179.659 177.584 0.161 0.000 1.176 192 A CA 2.292 54.453 52.037 0.206 0.000 0.631 192 A CB -0.484 18.582 19.000 0.111 0.000 0.814 192 A HN 0.578 nan 8.150 nan 0.000 0.446 193 E N 0.385 120.639 120.200 0.090 0.000 2.150 193 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 193 E C 1.334 177.945 176.600 0.018 0.000 0.985 193 E CA 1.494 57.924 56.400 0.050 0.000 0.814 193 E CB -0.321 29.396 29.700 0.028 0.000 0.752 193 E HN 0.541 nan 8.360 nan 0.000 0.466 194 D N -0.899 119.484 120.400 -0.028 0.000 2.097 194 D HA -0.165 4.474 4.640 -0.001 0.000 0.195 194 D C 1.565 177.752 176.300 -0.187 0.000 0.989 194 D CA 1.259 55.168 54.000 -0.152 0.000 0.827 194 D CB -0.319 40.312 40.800 -0.282 0.000 0.966 194 D HN 0.340 nan 8.370 nan 0.000 0.456 195 Y N 0.750 121.053 120.300 0.006 0.000 2.200 195 Y HA -0.063 4.487 4.550 -0.001 0.000 0.290 195 Y C 2.436 178.338 175.900 0.002 0.000 1.137 195 Y CA 0.958 59.059 58.100 0.003 0.000 1.163 195 Y CB -0.424 38.044 38.460 0.015 0.000 0.988 195 Y HN -0.074 nan 8.280 nan 0.000 0.518 196 A N 0.131 123.039 122.820 0.148 0.000 1.908 196 A HA -0.273 4.047 4.320 -0.001 0.000 0.218 196 A C 2.047 179.657 177.584 0.043 0.000 1.181 196 A CA 2.040 54.128 52.037 0.084 0.000 0.627 196 A CB -0.645 18.395 19.000 0.065 0.000 0.818 196 A HN 0.423 nan 8.150 nan 0.000 0.445 197 E N -0.045 120.165 120.200 0.017 0.000 2.077 197 E HA -0.056 4.294 4.350 -0.001 0.000 0.193 197 E C 1.979 178.569 176.600 -0.016 0.000 0.989 197 E CA 1.534 57.929 56.400 -0.009 0.000 0.800 197 E CB -0.756 28.927 29.700 -0.029 0.000 0.746 197 E HN 0.418 nan 8.360 nan 0.000 0.452 198 G N -0.182 108.609 108.800 -0.017 0.000 2.408 198 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.217 198 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.217 198 G C 1.702 176.607 174.900 0.009 0.000 1.150 198 G CA 0.937 46.026 45.100 -0.017 0.000 0.776 198 G HN 0.253 nan 8.290 nan 0.000 0.542 199 V N 0.652 120.589 119.914 0.038 0.000 2.343 199 V HA -0.162 3.957 4.120 -0.001 0.000 0.247 199 V C 2.926 179.032 176.094 0.020 0.000 1.051 199 V CA 1.929 64.254 62.300 0.042 0.000 1.036 199 V CB -0.447 31.411 31.823 0.057 0.000 0.654 199 V HN 0.315 nan 8.190 nan 0.000 0.451 200 R N -0.533 119.974 120.500 0.010 0.000 2.092 200 R HA -0.088 4.252 4.340 -0.001 0.000 0.231 200 R C 2.182 178.467 176.300 -0.024 0.000 1.119 200 R CA 1.384 57.482 56.100 -0.005 0.000 0.970 200 R CB -0.394 29.902 30.300 -0.006 0.000 0.864 200 R HN 0.423 nan 8.270 nan 0.000 0.440 201 V N 0.802 120.697 119.914 -0.032 0.000 2.379 201 V HA -0.097 4.022 4.120 -0.001 0.000 0.243 201 V C 2.034 178.093 176.094 -0.057 0.000 1.035 201 V CA 1.374 63.641 62.300 -0.055 0.000 1.035 201 V CB -0.146 31.640 31.823 -0.062 0.000 0.673 201 V HN 0.250 nan 8.190 nan 0.000 0.457 202 L N -0.088 121.111 121.223 -0.040 0.000 2.556 202 L HA 0.260 4.600 4.340 -0.001 0.000 0.226 202 L C 2.490 179.353 176.870 -0.012 0.000 1.089 202 L CA 0.814 55.633 54.840 -0.036 0.000 0.864 202 L CB -0.713 41.322 42.059 -0.041 0.000 1.067 202 L HN 0.433 nan 8.230 nan 0.000 0.477 203 G N 1.953 110.756 108.800 0.005 0.000 2.469 203 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.219 203 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.219 203 G C -0.830 174.103 174.900 0.055 0.000 1.150 203 G CA 0.761 45.880 45.100 0.032 0.000 0.763 203 G HN 0.305 nan 8.290 nan 0.000 0.561 204 P HA 0.059 nan 4.420 nan 0.000 0.226 204 P C 1.373 178.781 177.300 0.180 0.000 1.153 204 P CA 0.677 63.842 63.100 0.108 0.000 0.777 204 P CB 0.012 31.664 31.700 -0.081 0.000 0.794 205 L N -2.844 118.422 121.223 0.072 0.000 2.640 205 L HA 0.332 4.672 4.340 -0.001 0.000 0.230 205 L C 0.923 177.804 176.870 0.017 0.000 1.123 205 L CA -0.361 54.510 54.840 0.053 0.000 0.900 205 L CB 0.023 42.087 42.059 0.008 0.000 1.146 205 L HN -0.152 nan 8.230 nan 0.000 0.484 206 A N -0.985 121.842 122.820 0.011 0.000 2.384 206 A HA 0.430 4.750 4.320 -0.001 0.000 0.312 206 A C 0.008 177.583 177.584 -0.016 0.000 1.113 206 A CA -0.533 51.480 52.037 -0.041 0.000 0.779 206 A CB 1.036 19.987 19.000 -0.083 0.000 1.307 206 A HN 0.010 nan 8.150 nan 0.000 0.436 207 D N -0.733 119.622 120.400 -0.075 0.000 2.213 207 D HA 0.102 4.742 4.640 -0.001 0.000 0.205 207 D C -0.270 176.145 176.300 0.192 0.000 0.961 207 D CA 1.947 55.932 54.000 -0.025 0.000 0.853 207 D CB 0.117 40.705 40.800 -0.354 0.000 0.967 207 D HN 0.621 nan 8.370 nan 0.000 0.496 208 Y N -1.336 119.006 120.300 0.071 0.000 2.552 208 Y HA 0.569 5.118 4.550 -0.001 0.000 0.337 208 Y C -1.623 174.324 175.900 0.078 0.000 1.094 208 Y CA -1.273 56.883 58.100 0.094 0.000 1.028 208 Y CB 0.859 39.390 38.460 0.118 0.000 1.321 208 Y HN -0.350 nan 8.280 nan 0.000 0.456 209 L N 3.590 124.973 121.223 0.267 0.000 2.330 209 L HA 0.810 5.150 4.340 -0.001 0.000 0.271 209 L C -0.994 176.031 176.870 0.258 0.000 1.013 209 L CA -1.530 53.410 54.840 0.166 0.000 0.816 209 L CB 2.159 44.285 42.059 0.112 0.000 1.287 209 L HN 0.620 nan 8.230 nan 0.000 0.435 210 V N 2.642 122.674 119.914 0.197 0.000 2.444 210 V HA 0.285 4.404 4.120 -0.001 0.000 0.294 210 V C -0.117 176.056 176.094 0.132 0.000 1.022 210 V CA -0.703 61.710 62.300 0.188 0.000 0.850 210 V CB 1.960 33.914 31.823 0.217 0.000 0.992 210 V HN 0.389 nan 8.190 nan 0.000 0.426 211 V N 4.362 124.321 119.914 0.075 0.000 2.322 211 V HA 0.222 4.342 4.120 -0.001 0.000 0.258 211 V C 0.459 176.564 176.094 0.017 0.000 1.074 211 V CA -0.347 61.946 62.300 -0.012 0.000 0.909 211 V CB 0.731 32.450 31.823 -0.173 0.000 1.090 211 V HN 0.873 nan 8.190 nan 0.000 0.486 212 N N 4.860 123.654 118.700 0.157 0.000 2.439 212 N HA 0.168 4.907 4.740 -0.001 0.000 0.243 212 N C 0.198 175.854 175.510 0.244 0.000 1.088 212 N CA -0.269 52.903 53.050 0.203 0.000 0.940 212 N CB 1.323 39.966 38.487 0.259 0.000 1.180 212 N HN 0.483 nan 8.380 nan 0.000 0.505 213 V N 1.059 121.048 119.914 0.124 0.000 2.988 213 V HA 0.332 4.452 4.120 -0.001 0.000 0.356 213 V C 0.608 176.762 176.094 0.099 0.000 1.380 213 V CA 0.158 62.528 62.300 0.115 0.000 1.184 213 V CB -0.472 31.354 31.823 0.005 0.000 1.204 213 V HN 0.550 nan 8.190 nan 0.000 0.530 214 S N -1.750 114.020 115.700 0.117 0.000 2.819 214 S HA 0.276 4.746 4.470 -0.001 0.000 0.249 214 S C 0.684 175.324 174.600 0.067 0.000 1.030 214 S CA 0.342 58.589 58.200 0.078 0.000 1.052 214 S CB 0.300 63.542 63.200 0.069 0.000 1.017 214 S HN 0.567 nan 8.310 nan 0.000 0.576 215 S N 3.996 119.743 115.700 0.078 0.000 2.516 215 S HA 0.285 4.755 4.470 -0.001 0.000 0.282 215 S C -1.285 173.274 174.600 -0.069 0.000 1.286 215 S CA -0.982 57.206 58.200 -0.020 0.000 1.066 215 S CB 0.798 63.874 63.200 -0.207 0.000 0.884 215 S HN 0.322 nan 8.310 nan 0.000 0.491 216 P HA 0.140 nan 4.420 nan 0.000 0.255 216 P C -0.144 177.108 177.300 -0.080 0.000 1.248 216 P CA 0.178 63.248 63.100 -0.050 0.000 0.807 216 P CB 0.109 31.795 31.700 -0.024 0.000 1.150 217 N N -0.211 118.402 118.700 -0.145 0.000 2.238 217 N HA 0.088 4.828 4.740 -0.001 0.000 0.222 217 N C -0.243 175.143 175.510 -0.207 0.000 1.133 217 N CA 0.308 53.267 53.050 -0.153 0.000 0.854 217 N CB 0.699 39.105 38.487 -0.134 0.000 1.041 217 N HN 0.014 nan 8.380 nan 0.000 0.510 218 T N 0.277 114.701 114.554 -0.215 0.000 2.881 218 T HA 0.524 4.874 4.350 -0.001 0.000 0.291 218 T C 0.880 175.542 174.700 -0.063 0.000 0.990 218 T CA -0.322 61.676 62.100 -0.170 0.000 0.976 218 T CB 2.426 71.138 68.868 -0.260 0.000 0.970 218 T HN 0.197 nan 8.240 nan 0.000 0.438 219 A N 3.301 126.104 122.820 -0.028 0.000 3.133 219 A HA -0.182 4.137 4.320 -0.001 0.000 0.325 219 A C 1.578 179.163 177.584 0.001 0.000 1.522 219 A CA 2.125 54.160 52.037 -0.004 0.000 1.116 219 A CB -1.428 17.581 19.000 0.016 0.000 0.760 219 A HN 1.327 nan 8.150 nan 0.000 0.411 220 G N -2.103 106.708 108.800 0.019 0.000 4.757 220 G HA2 0.504 4.464 3.960 -0.001 0.000 0.303 220 G HA3 0.504 4.464 3.960 -0.001 0.000 0.303 220 G C -0.034 174.892 174.900 0.043 0.000 1.318 220 G CA 0.401 45.515 45.100 0.024 0.000 1.020 220 G HN 0.679 nan 8.290 nan 0.000 0.589 227 K N 1.276 121.676 120.400 0.001 0.000 2.020 227 K HA -0.152 4.168 4.320 -0.001 0.000 0.212 227 K C 2.713 179.312 176.600 -0.001 0.000 1.050 227 K CA 2.574 58.860 56.287 -0.001 0.000 0.929 227 K CB -0.076 32.424 32.500 -0.000 0.000 0.714 227 K HN 0.618 nan 8.250 nan 0.000 0.443 228 A N 1.199 124.021 122.820 0.002 0.000 1.845 228 A HA -0.205 4.115 4.320 -0.001 0.000 0.215 228 A C 1.917 179.504 177.584 0.004 0.000 1.195 228 A CA 1.846 53.885 52.037 0.003 0.000 0.616 228 A CB -0.619 18.385 19.000 0.006 0.000 0.832 228 A HN 0.470 nan 8.150 nan 0.000 0.443 229 E N -0.782 119.422 120.200 0.006 0.000 2.110 229 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 229 E C 1.954 178.553 176.600 -0.002 0.000 0.988 229 E CA 1.174 57.579 56.400 0.008 0.000 0.804 229 E CB -0.266 29.443 29.700 0.015 0.000 0.745 229 E HN 0.465 nan 8.360 nan 0.000 0.458 230 L N 1.435 122.652 121.223 -0.010 0.000 2.017 230 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 230 L C 2.431 179.287 176.870 -0.024 0.000 1.073 230 L CA 1.717 56.542 54.840 -0.025 0.000 0.745 230 L CB -0.335 41.711 42.059 -0.023 0.000 0.894 230 L HN -0.062 nan 8.230 nan 0.000 0.432 231 R N -0.546 119.947 120.500 -0.013 0.000 2.083 231 R HA -0.229 4.110 4.340 -0.001 0.000 0.237 231 R C 2.575 178.871 176.300 -0.007 0.000 1.137 231 R CA 1.896 57.990 56.100 -0.010 0.000 0.951 231 R CB -0.342 29.955 30.300 -0.005 0.000 0.851 231 R HN 0.399 nan 8.270 nan 0.000 0.434 232 R N 0.413 120.912 120.500 -0.002 0.000 2.073 232 R HA -0.169 4.171 4.340 -0.001 0.000 0.234 232 R C 2.366 178.669 176.300 0.005 0.000 1.134 232 R CA 1.715 57.818 56.100 0.005 0.000 0.952 232 R CB -0.477 29.830 30.300 0.012 0.000 0.850 232 R HN 0.304 nan 8.270 nan 0.000 0.433 233 L N 1.140 122.360 121.223 -0.005 0.000 1.994 233 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 233 L C 2.080 178.931 176.870 -0.031 0.000 1.071 233 L CA 1.734 56.564 54.840 -0.016 0.000 0.745 233 L CB -0.425 41.598 42.059 -0.060 0.000 0.892 233 L HN 0.268 nan 8.230 nan 0.000 0.431 234 L N -1.210 119.988 121.223 -0.042 0.000 2.141 234 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 234 L C 2.319 179.182 176.870 -0.011 0.000 1.094 234 L CA 1.364 56.182 54.840 -0.036 0.000 0.763 234 L CB -1.049 40.988 42.059 -0.037 0.000 0.908 234 L HN 0.305 nan 8.230 nan 0.000 0.437 235 T N -0.378 114.173 114.554 -0.005 0.000 2.746 235 T HA -0.236 4.114 4.350 -0.001 0.000 0.267 235 T C 1.946 176.652 174.700 0.011 0.000 1.039 235 T CA 1.514 63.616 62.100 0.003 0.000 1.142 235 T CB -0.060 68.810 68.868 0.004 0.000 0.866 235 T HN 0.257 nan 8.240 nan 0.000 0.444 236 K N 0.683 121.092 120.400 0.015 0.000 2.057 236 K HA -0.054 4.266 4.320 -0.001 0.000 0.206 236 K C 2.219 178.839 176.600 0.032 0.000 1.050 236 K CA 0.914 57.217 56.287 0.026 0.000 0.935 236 K CB -0.279 32.242 32.500 0.036 0.000 0.715 236 K HN 0.109 nan 8.250 nan 0.000 0.439 237 V N 1.783 121.715 119.914 0.029 0.000 2.295 237 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 237 V C 2.301 178.415 176.094 0.033 0.000 1.049 237 V CA 1.674 63.996 62.300 0.038 0.000 1.024 237 V CB -0.334 31.500 31.823 0.018 0.000 0.648 237 V HN 0.338 nan 8.190 nan 0.000 0.447 238 L N -0.523 120.713 121.223 0.021 0.000 2.093 238 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 238 L C 2.613 179.497 176.870 0.023 0.000 1.085 238 L CA 1.805 56.658 54.840 0.022 0.000 0.755 238 L CB -0.578 41.489 42.059 0.014 0.000 0.904 238 L HN 0.415 nan 8.230 nan 0.000 0.435 239 Q N 0.015 119.828 119.800 0.021 0.000 2.084 239 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 239 Q C 2.103 178.118 176.000 0.024 0.000 0.978 239 Q CA 1.373 57.188 55.803 0.020 0.000 0.844 239 Q CB 0.165 28.913 28.738 0.018 0.000 0.898 239 Q HN 0.360 nan 8.270 nan 0.000 0.426 240 E N 0.402 120.619 120.200 0.028 0.000 2.077 240 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 240 E C 1.953 178.572 176.600 0.032 0.000 0.989 240 E CA 0.767 57.185 56.400 0.030 0.000 0.800 240 E CB -0.288 29.434 29.700 0.036 0.000 0.746 240 E HN 0.256 nan 8.360 nan 0.000 0.452 241 R N 1.297 121.820 120.500 0.037 0.000 2.066 241 R HA -0.125 4.214 4.340 -0.001 0.000 0.232 241 R C 1.237 177.560 176.300 0.040 0.000 1.131 241 R CA 1.369 57.495 56.100 0.043 0.000 0.955 241 R CB -0.360 29.968 30.300 0.047 0.000 0.851 241 R HN 0.069 nan 8.270 nan 0.000 0.432 242 D N -0.650 119.770 120.400 0.032 0.000 2.310 242 D HA -0.070 4.569 4.640 -0.001 0.000 0.212 242 D C 1.461 177.778 176.300 0.027 0.000 0.965 242 D CA 1.262 55.279 54.000 0.028 0.000 0.879 242 D CB -0.336 40.477 40.800 0.021 0.000 0.921 242 D HN 0.482 nan 8.370 nan 0.000 0.510 243 G N -0.129 108.687 108.800 0.027 0.000 2.920 243 G HA2 0.087 4.047 3.960 -0.001 0.000 0.208 243 G HA3 0.087 4.047 3.960 -0.001 0.000 0.208 243 G C 0.687 175.603 174.900 0.027 0.000 1.159 243 G CA -0.145 44.969 45.100 0.023 0.000 0.784 243 G HN 0.179 nan 8.290 nan 0.000 0.535 244 L N 0.469 121.714 121.223 0.037 0.000 2.375 244 L HA 0.408 4.748 4.340 -0.001 0.000 0.271 244 L C 0.653 177.562 176.870 0.065 0.000 1.107 244 L CA -1.021 53.849 54.840 0.050 0.000 0.806 244 L CB 1.089 43.188 42.059 0.066 0.000 1.146 244 L HN 0.018 nan 8.230 nan 0.000 0.447 245 R N 1.292 121.843 120.500 0.085 0.000 2.698 245 R HA 0.009 4.348 4.340 -0.001 0.000 0.266 245 R C 1.233 177.591 176.300 0.097 0.000 1.026 245 R CA -0.113 56.045 56.100 0.097 0.000 1.102 245 R CB 0.437 30.818 30.300 0.135 0.000 0.978 245 R HN 0.557 nan 8.270 nan 0.000 0.436 246 R N 1.075 121.608 120.500 0.054 0.000 2.136 246 R HA -0.231 4.108 4.340 -0.001 0.000 0.242 246 R C 1.911 178.209 176.300 -0.003 0.000 1.131 246 R CA 2.212 58.327 56.100 0.024 0.000 0.937 246 R CB -1.046 29.259 30.300 0.008 0.000 0.863 246 R HN 0.614 nan 8.270 nan 0.000 0.435 247 V N -1.552 118.333 119.914 -0.049 0.000 3.078 247 V HA -0.087 4.032 4.120 -0.001 0.000 0.265 247 V C 1.121 177.028 176.094 -0.310 0.000 1.122 247 V CA 1.514 63.707 62.300 -0.178 0.000 1.141 247 V CB -0.602 31.068 31.823 -0.255 0.000 0.735 247 V HN 0.323 nan 8.190 nan 0.000 0.498 248 H N 0.529 119.614 119.070 0.026 0.000 2.486 248 H HA 0.432 4.987 4.556 -0.001 0.000 0.284 248 H C 0.375 175.723 175.328 0.033 0.000 1.103 248 H CA -0.259 55.804 56.048 0.026 0.000 1.089 248 H CB 0.453 30.224 29.762 0.015 0.000 1.603 248 H HN 0.431 nan 8.280 nan 0.000 0.557 249 R N 3.150 123.710 120.500 0.100 0.000 2.215 249 R HA 0.208 4.548 4.340 -0.001 0.000 0.337 249 R C -2.540 173.816 176.300 0.093 0.000 1.010 249 R CA -1.425 54.727 56.100 0.086 0.000 0.871 249 R CB 0.929 31.265 30.300 0.060 0.000 1.134 249 R HN 0.101 nan 8.270 nan 0.000 0.477 250 P HA 0.241 nan 4.420 nan 0.000 0.281 250 P C -1.043 176.340 177.300 0.138 0.000 1.264 250 P CA -0.535 62.648 63.100 0.139 0.000 0.824 250 P CB 1.438 33.212 31.700 0.122 0.000 1.092 251 A N 1.190 124.121 122.820 0.187 0.000 2.351 251 A HA 0.447 4.766 4.320 -0.001 0.000 0.257 251 A C -0.222 177.457 177.584 0.159 0.000 1.087 251 A CA -0.375 51.753 52.037 0.152 0.000 0.798 251 A CB 0.109 19.210 19.000 0.168 0.000 1.033 251 A HN 0.358 nan 8.150 nan 0.000 0.488 252 V N 2.653 122.629 119.914 0.104 0.000 2.409 252 V HA 0.449 4.568 4.120 -0.001 0.000 0.291 252 V C -0.685 175.448 176.094 0.065 0.000 1.020 252 V CA -0.208 62.149 62.300 0.096 0.000 0.848 252 V CB 1.011 32.870 31.823 0.062 0.000 0.990 252 V HN 0.726 nan 8.190 nan 0.000 0.430 253 L N 5.151 126.423 121.223 0.082 0.000 2.319 253 L HA 0.724 5.063 4.340 -0.001 0.000 0.267 253 L C -0.342 176.551 176.870 0.038 0.000 1.011 253 L CA -0.598 54.263 54.840 0.035 0.000 0.818 253 L CB 2.185 44.243 42.059 -0.002 0.000 1.316 253 L HN 0.341 nan 8.230 nan 0.000 0.432 254 V N 1.158 121.080 119.914 0.013 0.000 2.495 254 V HA 0.446 4.565 4.120 -0.001 0.000 0.298 254 V C -0.242 175.867 176.094 0.025 0.000 1.031 254 V CA -0.885 61.419 62.300 0.007 0.000 0.871 254 V CB 1.645 33.459 31.823 -0.015 0.000 0.988 254 V HN 0.640 nan 8.190 nan 0.000 0.432 255 K N 5.820 126.247 120.400 0.045 0.000 2.240 255 K HA 0.673 4.992 4.320 -0.001 0.000 0.271 255 K C -0.529 176.103 176.600 0.054 0.000 1.018 255 K CA -0.486 55.838 56.287 0.062 0.000 0.874 255 K CB 1.001 33.559 32.500 0.096 0.000 1.098 255 K HN 0.784 nan 8.250 nan 0.000 0.458 256 I N 0.438 121.035 120.570 0.045 0.000 2.982 256 I HA 0.693 4.863 4.170 -0.001 0.000 0.312 256 I C -0.285 175.858 176.117 0.043 0.000 1.041 256 I CA -1.217 60.107 61.300 0.039 0.000 1.053 256 I CB 1.936 39.952 38.000 0.027 0.000 1.248 256 I HN 0.593 nan 8.210 nan 0.000 0.471 257 A N 3.194 126.036 122.820 0.037 0.000 2.287 257 A HA 0.628 4.947 4.320 -0.001 0.000 0.273 257 A C -1.927 175.675 177.584 0.029 0.000 1.091 257 A CA -1.407 50.650 52.037 0.034 0.000 0.817 257 A CB -0.189 18.828 19.000 0.028 0.000 1.069 257 A HN 0.762 nan 8.150 nan 0.000 0.492 258 P HA 0.117 nan 4.420 nan 0.000 0.267 258 P C -0.437 176.875 177.300 0.019 0.000 1.289 258 P CA 0.426 63.541 63.100 0.024 0.000 0.866 258 P CB 0.453 32.168 31.700 0.025 0.000 1.309 259 D N 0.165 120.576 120.400 0.017 0.000 2.463 259 D HA 0.179 4.818 4.640 -0.001 0.000 0.224 259 D C 0.693 177.000 176.300 0.013 0.000 1.174 259 D CA -0.051 53.956 54.000 0.013 0.000 0.829 259 D CB 0.549 41.355 40.800 0.010 0.000 0.993 259 D HN 0.237 nan 8.370 nan 0.000 0.497 260 L N 1.250 122.482 121.223 0.015 0.000 2.417 260 L HA 0.165 4.504 4.340 -0.001 0.000 0.268 260 L C 1.494 178.371 176.870 0.013 0.000 1.158 260 L CA -0.300 54.549 54.840 0.014 0.000 0.819 260 L CB 0.701 42.770 42.059 0.016 0.000 1.112 260 L HN -0.028 nan 8.230 nan 0.000 0.458 261 T N -1.607 112.953 114.554 0.011 0.000 2.754 261 T HA 0.107 4.457 4.350 -0.001 0.000 0.286 261 T C 1.159 175.865 174.700 0.011 0.000 0.997 261 T CA -0.555 61.550 62.100 0.010 0.000 0.982 261 T CB 1.038 69.911 68.868 0.008 0.000 1.027 261 T HN 0.563 nan 8.240 nan 0.000 0.529 262 S N 0.037 115.743 115.700 0.011 0.000 2.402 262 S HA -0.129 4.341 4.470 -0.001 0.000 0.229 262 S C 2.065 176.671 174.600 0.010 0.000 1.021 262 S CA 1.181 59.388 58.200 0.012 0.000 0.974 262 S CB -0.546 62.661 63.200 0.011 0.000 0.800 262 S HN 0.823 nan 8.310 nan 0.000 0.484 263 Q N 1.846 121.651 119.800 0.008 0.000 2.079 263 Q HA -0.142 4.198 4.340 -0.001 0.000 0.200 263 Q C 1.341 177.345 176.000 0.006 0.000 0.974 263 Q CA 1.690 57.497 55.803 0.006 0.000 0.840 263 Q CB -0.377 28.364 28.738 0.006 0.000 0.898 263 Q HN 0.362 nan 8.270 nan 0.000 0.430 264 D N 0.149 120.553 120.400 0.007 0.000 2.104 264 D HA -0.164 4.476 4.640 -0.001 0.000 0.194 264 D C 1.686 177.990 176.300 0.007 0.000 0.994 264 D CA 1.400 55.404 54.000 0.007 0.000 0.830 264 D CB -0.103 40.703 40.800 0.009 0.000 0.959 264 D HN 0.334 nan 8.370 nan 0.000 0.452 265 K N 0.545 120.951 120.400 0.010 0.000 2.097 265 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 265 K C 2.121 178.725 176.600 0.007 0.000 1.049 265 K CA 0.853 57.147 56.287 0.011 0.000 0.933 265 K CB -0.036 32.474 32.500 0.017 0.000 0.717 265 K HN 0.185 nan 8.250 nan 0.000 0.442 266 E N 0.991 121.195 120.200 0.006 0.000 2.051 266 E HA -0.215 4.135 4.350 -0.001 0.000 0.192 266 E C 1.293 177.892 176.600 -0.001 0.000 0.991 266 E CA 1.528 57.929 56.400 0.003 0.000 0.799 266 E CB 0.158 29.861 29.700 0.004 0.000 0.748 266 E HN 0.204 nan 8.360 nan 0.000 0.449 267 D N 0.319 120.719 120.400 -0.000 0.000 2.117 267 D HA -0.122 4.518 4.640 -0.001 0.000 0.198 267 D C 2.046 178.343 176.300 -0.005 0.000 0.982 267 D CA 0.797 54.795 54.000 -0.002 0.000 0.828 267 D CB -0.177 40.622 40.800 -0.001 0.000 0.967 267 D HN 0.296 nan 8.370 nan 0.000 0.464 268 I N 1.245 121.812 120.570 -0.004 0.000 2.179 268 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 268 I C 2.461 178.572 176.117 -0.011 0.000 1.088 268 I CA 1.102 62.397 61.300 -0.007 0.000 1.357 268 I CB -0.207 37.791 38.000 -0.003 0.000 1.051 268 I HN -0.072 nan 8.210 nan 0.000 0.409 269 A N -0.312 122.502 122.820 -0.011 0.000 1.902 269 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 269 A C 2.487 180.059 177.584 -0.021 0.000 1.181 269 A CA 2.286 54.312 52.037 -0.018 0.000 0.623 269 A CB -0.822 18.167 19.000 -0.018 0.000 0.818 269 A HN 0.422 nan 8.150 nan 0.000 0.443 270 S N -0.671 115.019 115.700 -0.016 0.000 2.356 270 S HA -0.125 4.345 4.470 -0.001 0.000 0.223 270 S C 1.917 176.507 174.600 -0.016 0.000 1.032 270 S CA 1.672 59.862 58.200 -0.016 0.000 1.005 270 S CB -0.510 62.683 63.200 -0.011 0.000 0.867 270 S HN 0.302 nan 8.310 nan 0.000 0.449 271 V N 1.507 121.413 119.914 -0.014 0.000 2.343 271 V HA -0.108 4.012 4.120 -0.001 0.000 0.247 271 V C 2.516 178.600 176.094 -0.017 0.000 1.051 271 V CA 1.694 63.985 62.300 -0.014 0.000 1.036 271 V CB -0.748 31.067 31.823 -0.014 0.000 0.654 271 V HN 0.417 nan 8.190 nan 0.000 0.451 272 V N -0.062 119.840 119.914 -0.020 0.000 2.287 272 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 272 V C 2.431 178.510 176.094 -0.025 0.000 1.053 272 V CA 2.285 64.572 62.300 -0.022 0.000 1.027 272 V CB -0.650 31.157 31.823 -0.025 0.000 0.646 272 V HN 0.563 nan 8.190 nan 0.000 0.447 273 K N -0.454 119.929 120.400 -0.027 0.000 2.155 273 K HA -0.155 4.165 4.320 -0.001 0.000 0.203 273 K C 2.215 178.801 176.600 -0.023 0.000 1.052 273 K CA 1.242 57.511 56.287 -0.030 0.000 0.948 273 K CB -0.144 32.336 32.500 -0.034 0.000 0.728 273 K HN 0.518 nan 8.250 nan 0.000 0.448 274 E N 1.144 121.333 120.200 -0.019 0.000 2.072 274 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 274 E C 1.646 178.239 176.600 -0.012 0.000 0.985 274 E CA 0.979 57.370 56.400 -0.014 0.000 0.801 274 E CB 0.145 29.838 29.700 -0.012 0.000 0.750 274 E HN 0.248 nan 8.360 nan 0.000 0.452 275 L N -0.929 120.286 121.223 -0.012 0.000 2.529 275 L HA 0.227 4.567 4.340 -0.001 0.000 0.223 275 L C 1.335 178.200 176.870 -0.009 0.000 1.113 275 L CA 0.411 55.246 54.840 -0.009 0.000 0.861 275 L CB 0.322 42.375 42.059 -0.009 0.000 1.012 275 L HN 0.372 nan 8.230 nan 0.000 0.461 276 G N 1.105 109.897 108.800 -0.013 0.000 2.149 276 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.235 276 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.235 276 G C 0.232 175.125 174.900 -0.011 0.000 1.018 276 G CA -0.523 44.569 45.100 -0.014 0.000 0.728 276 G HN 0.115 nan 8.290 nan 0.000 0.508 277 I N 1.216 121.778 120.570 -0.013 0.000 2.826 277 I HA 0.002 4.171 4.170 -0.001 0.000 0.295 277 I C 1.389 177.498 176.117 -0.014 0.000 1.213 277 I CA 0.296 61.590 61.300 -0.010 0.000 1.436 277 I CB 0.382 38.373 38.000 -0.015 0.000 1.348 277 I HN 0.193 nan 8.210 nan 0.000 0.570 278 D N 4.565 124.962 120.400 -0.005 0.000 2.219 278 D HA 0.036 4.676 4.640 -0.001 0.000 0.205 278 D C 1.001 177.282 176.300 -0.031 0.000 0.970 278 D CA 0.850 54.844 54.000 -0.010 0.000 0.851 278 D CB 0.573 41.380 40.800 0.012 0.000 0.943 278 D HN 0.766 nan 8.370 nan 0.000 0.488 279 G N -0.655 108.124 108.800 -0.035 0.000 2.441 279 G HA2 0.512 4.472 3.960 -0.001 0.000 0.294 279 G HA3 0.512 4.472 3.960 -0.001 0.000 0.294 279 G C -1.969 172.904 174.900 -0.045 0.000 1.393 279 G CA -0.804 44.262 45.100 -0.057 0.000 0.796 279 G HN 0.032 nan 8.290 nan 0.000 0.494 280 L N -0.052 121.143 121.223 -0.047 0.000 2.388 280 L HA 0.636 4.975 4.340 -0.001 0.000 0.264 280 L C -0.569 176.287 176.870 -0.023 0.000 0.998 280 L CA -0.892 53.934 54.840 -0.023 0.000 0.817 280 L CB 2.537 44.591 42.059 -0.009 0.000 1.338 280 L HN 0.364 nan 8.230 nan 0.000 0.414 281 I N 3.000 123.573 120.570 0.005 0.000 2.355 281 I HA 0.412 4.582 4.170 -0.001 0.000 0.288 281 I C -0.918 175.222 176.117 0.038 0.000 0.999 281 I CA -0.723 60.593 61.300 0.025 0.000 1.163 281 I CB 1.860 39.896 38.000 0.060 0.000 1.316 281 I HN 0.178 nan 8.210 nan 0.000 0.454 282 V N 5.122 125.058 119.914 0.037 0.000 2.409 282 V HA 0.534 4.654 4.120 -0.001 0.000 0.290 282 V C 0.149 176.270 176.094 0.045 0.000 1.017 282 V CA -0.395 61.929 62.300 0.040 0.000 0.841 282 V CB 1.547 33.391 31.823 0.035 0.000 1.003 282 V HN 0.901 nan 8.190 nan 0.000 0.426 283 T N 0.592 115.176 114.554 0.050 0.000 2.716 283 T HA 0.532 4.882 4.350 -0.001 0.000 0.286 283 T C -0.264 174.473 174.700 0.061 0.000 1.052 283 T CA -0.737 61.393 62.100 0.051 0.000 1.024 283 T CB 2.189 71.082 68.868 0.042 0.000 1.349 283 T HN 0.399 nan 8.240 nan 0.000 0.525 284 N N 0.279 119.016 118.700 0.060 0.000 2.443 284 N HA 0.373 5.113 4.740 -0.001 0.000 0.294 284 N C 0.190 175.732 175.510 0.052 0.000 1.289 284 N CA 0.101 53.192 53.050 0.068 0.000 0.966 284 N CB 1.233 39.763 38.487 0.073 0.000 1.122 284 N HN 0.973 nan 8.380 nan 0.000 0.569 285 T N -2.290 112.292 114.554 0.046 0.000 2.813 285 T HA 0.172 4.521 4.350 -0.001 0.000 0.297 285 T C 0.470 175.184 174.700 0.023 0.000 1.036 285 T CA -0.404 61.714 62.100 0.030 0.000 1.044 285 T CB 0.627 69.508 68.868 0.022 0.000 0.993 285 T HN 0.373 nan 8.240 nan 0.000 0.535 286 T N 0.040 114.604 114.554 0.016 0.000 2.859 286 T HA 0.407 4.757 4.350 -0.001 0.000 0.281 286 T C 1.130 175.833 174.700 0.004 0.000 1.005 286 T CA -0.433 61.673 62.100 0.011 0.000 1.025 286 T CB 0.833 69.707 68.868 0.011 0.000 0.977 286 T HN 0.797 nan 8.240 nan 0.000 0.458 287 V N 2.299 122.214 119.914 0.001 0.000 3.649 287 V HA 0.285 4.404 4.120 -0.001 0.000 0.275 287 V C 1.058 177.148 176.094 -0.007 0.000 1.281 287 V CA 0.310 62.607 62.300 -0.005 0.000 1.143 287 V CB -1.162 30.656 31.823 -0.007 0.000 0.892 287 V HN 0.803 nan 8.190 nan 0.000 0.441 288 S N 1.264 116.962 115.700 -0.004 0.000 2.632 288 S HA 0.575 5.044 4.470 -0.001 0.000 0.267 288 S C 0.124 174.719 174.600 -0.008 0.000 1.276 288 S CA -0.714 57.483 58.200 -0.006 0.000 0.998 288 S CB 1.213 64.412 63.200 -0.002 0.000 0.953 288 S HN 0.455 nan 8.310 nan 0.000 0.547 289 R N 1.682 122.176 120.500 -0.011 0.000 2.513 289 R HA 0.397 4.737 4.340 -0.001 0.000 0.283 289 R C -2.934 173.359 176.300 -0.011 0.000 1.535 289 R CA -1.733 54.359 56.100 -0.013 0.000 1.315 289 R CB 0.321 30.609 30.300 -0.020 0.000 1.163 289 R HN 0.578 nan 8.270 nan 0.000 0.573 290 P HA -0.044 nan 4.420 nan 0.000 0.264 290 P C -0.251 177.044 177.300 -0.008 0.000 1.179 290 P CA 0.187 63.284 63.100 -0.006 0.000 0.763 290 P CB 0.596 32.294 31.700 -0.004 0.000 0.806 291 A N 2.551 125.366 122.820 -0.008 0.000 2.498 291 A HA 0.451 4.771 4.320 -0.001 0.000 0.239 291 A C 1.495 179.074 177.584 -0.009 0.000 1.068 291 A CA 0.717 52.749 52.037 -0.009 0.000 0.766 291 A CB -0.811 18.184 19.000 -0.007 0.000 1.003 291 A HN 0.900 nan 8.150 nan 0.000 0.497 292 G N 0.800 109.594 108.800 -0.010 0.000 2.238 292 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.217 292 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.217 292 G C 0.207 175.101 174.900 -0.011 0.000 0.996 292 G CA -0.058 45.036 45.100 -0.010 0.000 0.632 292 G HN 0.815 nan 8.290 nan 0.000 0.503 293 L N 1.096 122.312 121.223 -0.012 0.000 2.540 293 L HA 0.139 4.479 4.340 -0.001 0.000 0.276 293 L C 1.649 178.511 176.870 -0.013 0.000 1.212 293 L CA 0.219 55.051 54.840 -0.013 0.000 0.893 293 L CB 0.692 42.742 42.059 -0.014 0.000 1.138 293 L HN 0.172 nan 8.230 nan 0.000 0.491 294 Q N 2.420 122.213 119.800 -0.012 0.000 2.402 294 Q HA 0.139 4.479 4.340 -0.001 0.000 0.231 294 Q C 0.961 176.957 176.000 -0.007 0.000 0.888 294 Q CA 0.266 56.063 55.803 -0.009 0.000 0.938 294 Q CB 0.393 29.126 28.738 -0.009 0.000 1.086 294 Q HN 0.816 nan 8.270 nan 0.000 0.543 295 G N 0.753 109.551 108.800 -0.003 0.000 2.321 295 G HA2 0.158 4.117 3.960 -0.001 0.000 0.237 295 G HA3 0.158 4.117 3.960 -0.001 0.000 0.237 295 G C 0.958 175.854 174.900 -0.007 0.000 1.282 295 G CA 0.509 45.612 45.100 0.005 0.000 0.886 295 G HN 0.254 nan 8.290 nan 0.000 0.528 296 A N 2.206 125.024 122.820 -0.003 0.000 2.019 296 A HA 0.019 4.339 4.320 -0.001 0.000 0.219 296 A C 1.995 179.554 177.584 -0.042 0.000 1.164 296 A CA 0.825 52.851 52.037 -0.017 0.000 0.644 296 A CB -0.118 18.878 19.000 -0.006 0.000 0.805 296 A HN 0.615 nan 8.150 nan 0.000 0.449 297 L N -0.060 121.137 121.223 -0.044 0.000 2.685 297 L HA 0.090 4.430 4.340 -0.001 0.000 0.233 297 L C 2.145 178.937 176.870 -0.129 0.000 1.173 297 L CA 0.118 54.889 54.840 -0.116 0.000 0.961 297 L CB -0.269 41.734 42.059 -0.094 0.000 1.217 297 L HN 0.523 nan 8.230 nan 0.000 0.478 298 R N -0.842 119.613 120.500 -0.076 0.000 2.159 298 R HA -0.092 4.248 4.340 -0.001 0.000 0.237 298 R C 1.349 177.597 176.300 -0.086 0.000 1.131 298 R CA 1.467 57.529 56.100 -0.063 0.000 0.982 298 R CB -0.501 29.775 30.300 -0.040 0.000 0.868 298 R HN 0.111 nan 8.270 nan 0.000 0.453 299 S N 0.532 116.167 115.700 -0.110 0.000 2.605 299 S HA 0.100 4.570 4.470 -0.001 0.000 0.217 299 S C -0.278 174.226 174.600 -0.161 0.000 0.958 299 S CA -0.275 57.858 58.200 -0.111 0.000 0.919 299 S CB 0.116 63.263 63.200 -0.090 0.000 0.780 299 S HN 0.282 nan 8.310 nan 0.000 0.507 300 E N 2.285 122.336 120.200 -0.250 0.000 2.398 300 E HA 0.105 4.455 4.350 -0.001 0.000 0.263 300 E C 0.085 176.563 176.600 -0.204 0.000 1.046 300 E CA 0.291 56.471 56.400 -0.366 0.000 0.908 300 E CB 0.542 29.756 29.700 -0.809 0.000 0.963 300 E HN 0.049 nan 8.360 nan 0.000 0.431 301 T N 1.166 115.630 114.554 -0.151 0.000 2.919 301 T HA 0.511 4.860 4.350 -0.001 0.000 0.302 301 T C 0.325 175.009 174.700 -0.026 0.000 1.031 301 T CA 0.482 62.540 62.100 -0.070 0.000 1.127 301 T CB 0.835 69.674 68.868 -0.049 0.000 0.952 301 T HN 0.660 nan 8.240 nan 0.000 0.540 302 G N 1.034 109.825 108.800 -0.015 0.000 2.357 302 G HA2 0.409 4.368 3.960 -0.001 0.000 0.289 302 G HA3 0.409 4.368 3.960 -0.001 0.000 0.289 302 G C -0.490 174.412 174.900 0.003 0.000 1.302 302 G CA -0.523 44.581 45.100 0.007 0.000 0.936 302 G HN 0.876 nan 8.290 nan 0.000 0.513 303 G N -0.908 107.899 108.800 0.011 0.000 2.348 303 G HA2 0.685 4.644 3.960 -0.001 0.000 0.312 303 G HA3 0.685 4.644 3.960 -0.001 0.000 0.312 303 G C -0.538 174.369 174.900 0.012 0.000 1.126 303 G CA -0.253 44.852 45.100 0.009 0.000 0.865 303 G HN 1.268 nan 8.290 nan 0.000 0.474 304 L N 2.834 124.062 121.223 0.008 0.000 2.312 304 L HA 0.719 5.058 4.340 -0.001 0.000 0.281 304 L C 0.499 177.373 176.870 0.007 0.000 1.070 304 L CA -0.198 54.648 54.840 0.009 0.000 0.805 304 L CB 1.500 43.562 42.059 0.006 0.000 1.174 304 L HN 0.623 nan 8.230 nan 0.000 0.434 305 S N 2.735 118.436 115.700 0.003 0.000 2.704 305 S HA 1.042 5.511 4.470 -0.001 0.000 0.296 305 S C -0.022 174.589 174.600 0.019 0.000 1.138 305 S CA -0.215 57.984 58.200 -0.000 0.000 0.875 305 S CB 1.319 64.492 63.200 -0.044 0.000 1.151 305 S HN 1.756 nan 8.310 nan 0.000 0.500 306 G N 1.102 109.919 108.800 0.028 0.000 2.548 306 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.208 306 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.208 306 G C 0.303 175.219 174.900 0.026 0.000 1.308 306 G CA 0.097 45.222 45.100 0.043 0.000 0.924 306 G HN 0.892 nan 8.290 nan 0.000 0.540 307 K N 0.736 121.141 120.400 0.008 0.000 2.089 307 K HA -0.115 4.204 4.320 -0.001 0.000 0.210 307 K C -0.186 176.417 176.600 0.005 0.000 1.048 307 K CA 2.297 58.587 56.287 0.006 0.000 0.926 307 K CB -0.855 31.637 32.500 -0.013 0.000 0.714 307 K HN 0.300 nan 8.250 nan 0.000 0.448 308 P HA -0.129 nan 4.420 nan 0.000 0.225 308 P C 0.947 178.252 177.300 0.007 0.000 1.148 308 P CA 0.788 63.889 63.100 0.001 0.000 0.779 308 P CB 0.122 31.821 31.700 -0.002 0.000 0.780 309 L N -1.265 119.966 121.223 0.013 0.000 2.416 309 L HA 0.212 4.551 4.340 -0.001 0.000 0.216 309 L C 2.338 179.221 176.870 0.021 0.000 1.098 309 L CA 0.927 55.777 54.840 0.017 0.000 0.840 309 L CB -0.630 41.442 42.059 0.021 0.000 0.981 309 L HN -0.300 nan 8.230 nan 0.000 0.462 310 R N 0.135 120.649 120.500 0.023 0.000 2.179 310 R HA -0.270 4.069 4.340 -0.001 0.000 0.238 310 R C 1.640 177.952 176.300 0.020 0.000 1.119 310 R CA 2.708 58.823 56.100 0.025 0.000 0.915 310 R CB -0.519 29.797 30.300 0.026 0.000 0.870 310 R HN 0.386 nan 8.270 nan 0.000 0.432 311 D N 0.094 120.503 120.400 0.015 0.000 2.178 311 D HA -0.125 4.514 4.640 -0.001 0.000 0.202 311 D C 1.720 178.027 176.300 0.013 0.000 0.974 311 D CA 0.652 54.659 54.000 0.011 0.000 0.841 311 D CB -0.199 40.605 40.800 0.007 0.000 0.953 311 D HN 0.194 nan 8.370 nan 0.000 0.478 312 L N 0.351 121.582 121.223 0.014 0.000 2.083 312 L HA -0.100 4.240 4.340 -0.001 0.000 0.209 312 L C 1.968 178.851 176.870 0.020 0.000 1.083 312 L CA 1.562 56.411 54.840 0.015 0.000 0.752 312 L CB -0.499 41.568 42.059 0.014 0.000 0.899 312 L HN -0.150 nan 8.230 nan 0.000 0.433 313 S N -1.184 114.530 115.700 0.023 0.000 2.357 313 S HA -0.142 4.328 4.470 -0.001 0.000 0.221 313 S C 1.772 176.388 174.600 0.027 0.000 1.031 313 S CA 1.545 59.762 58.200 0.028 0.000 0.982 313 S CB -0.430 62.789 63.200 0.032 0.000 0.853 313 S HN 0.578 nan 8.310 nan 0.000 0.458 314 T N 2.379 116.946 114.554 0.021 0.000 2.720 314 T HA -0.117 4.233 4.350 -0.001 0.000 0.268 314 T C 1.917 176.630 174.700 0.022 0.000 1.037 314 T CA 1.110 63.219 62.100 0.016 0.000 1.144 314 T CB -0.295 68.578 68.868 0.008 0.000 0.864 314 T HN 0.251 nan 8.240 nan 0.000 0.444 315 Q N 0.603 120.415 119.800 0.021 0.000 2.124 315 Q HA -0.042 4.297 4.340 -0.001 0.000 0.202 315 Q C 2.587 178.610 176.000 0.040 0.000 0.977 315 Q CA 1.309 57.127 55.803 0.025 0.000 0.850 315 Q CB -0.896 27.852 28.738 0.017 0.000 0.901 315 Q HN 0.518 nan 8.270 nan 0.000 0.429 316 T N 1.331 115.907 114.554 0.037 0.000 2.821 316 T HA -0.023 4.327 4.350 -0.001 0.000 0.267 316 T C 2.017 176.752 174.700 0.057 0.000 1.046 316 T CA 0.678 62.804 62.100 0.043 0.000 1.139 316 T CB -0.097 68.792 68.868 0.036 0.000 0.871 316 T HN 0.184 nan 8.240 nan 0.000 0.454 317 I N 0.601 121.205 120.570 0.055 0.000 2.179 317 I HA -0.152 4.017 4.170 -0.001 0.000 0.242 317 I C 2.855 179.043 176.117 0.119 0.000 1.088 317 I CA 1.186 62.526 61.300 0.067 0.000 1.357 317 I CB -0.312 37.710 38.000 0.037 0.000 1.051 317 I HN 0.107 nan 8.210 nan 0.000 0.409 318 R N 0.865 121.439 120.500 0.125 0.000 2.083 318 R HA -0.265 4.075 4.340 -0.001 0.000 0.237 318 R C 2.284 178.749 176.300 0.275 0.000 1.137 318 R CA 2.198 58.434 56.100 0.226 0.000 0.951 318 R CB -0.207 30.152 30.300 0.099 0.000 0.851 318 R HN 0.374 nan 8.270 nan 0.000 0.434 319 E N -0.413 119.881 120.200 0.156 0.000 2.072 319 E HA -0.195 4.155 4.350 -0.001 0.000 0.191 319 E C 1.868 178.535 176.600 0.112 0.000 0.985 319 E CA 1.296 57.772 56.400 0.126 0.000 0.801 319 E CB 0.099 29.843 29.700 0.074 0.000 0.750 319 E HN 0.214 nan 8.360 nan 0.000 0.452 320 M N -0.250 119.409 119.600 0.098 0.000 2.229 320 M HA -0.117 4.362 4.480 -0.001 0.000 0.264 320 M C 2.082 178.418 176.300 0.060 0.000 1.063 320 M CA 1.219 56.557 55.300 0.064 0.000 1.114 320 M CB -1.110 31.521 32.600 0.052 0.000 1.387 320 M HN 0.253 nan 8.290 nan 0.000 0.420 321 Y N 1.238 121.514 120.300 -0.041 0.000 2.145 321 Y HA -0.150 4.399 4.550 -0.001 0.000 0.286 321 Y C 2.402 178.208 175.900 -0.156 0.000 1.145 321 Y CA 2.051 60.069 58.100 -0.137 0.000 1.148 321 Y CB -0.302 38.010 38.460 -0.246 0.000 0.981 321 Y HN 0.196 nan 8.280 nan 0.000 0.507 322 A N 0.069 122.914 122.820 0.043 0.000 1.898 322 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 322 A C 2.236 179.794 177.584 -0.043 0.000 1.181 322 A CA 1.690 53.738 52.037 0.019 0.000 0.620 322 A CB -1.131 17.987 19.000 0.197 0.000 0.819 322 A HN 0.534 nan 8.150 nan 0.000 0.442 323 L N 0.047 121.261 121.223 -0.016 0.000 2.265 323 L HA -0.110 4.230 4.340 -0.001 0.000 0.215 323 L C 2.269 179.098 176.870 -0.069 0.000 1.117 323 L CA 1.588 56.411 54.840 -0.028 0.000 0.782 323 L CB -0.392 41.663 42.059 -0.006 0.000 0.914 323 L HN 0.643 nan 8.230 nan 0.000 0.441 324 T N -5.420 109.062 114.554 -0.120 0.000 3.145 324 T HA 0.146 4.495 4.350 -0.001 0.000 0.255 324 T C 0.672 175.238 174.700 -0.223 0.000 1.039 324 T CA -0.342 61.669 62.100 -0.148 0.000 0.928 324 T CB 0.437 69.221 68.868 -0.140 0.000 1.029 324 T HN 0.117 nan 8.240 nan 0.000 0.554 325 Q N 0.437 120.084 119.800 -0.255 0.000 2.480 325 Q HA -0.142 4.198 4.340 -0.001 0.000 0.265 325 Q C 1.247 176.973 176.000 -0.456 0.000 1.072 325 Q CA 1.131 56.765 55.803 -0.281 0.000 1.018 325 Q CB -2.298 26.342 28.738 -0.164 0.000 1.433 325 Q HN 1.146 nan 8.270 nan 0.000 0.513 326 G N -0.813 107.473 108.800 -0.857 0.000 2.187 326 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.261 326 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.261 326 G C 0.669 175.297 174.900 -0.453 0.000 1.000 326 G CA 0.692 45.080 45.100 -1.186 0.000 0.718 326 G HN 0.461 nan 8.290 nan 0.000 0.519 327 R N -1.108 119.209 120.500 -0.305 0.000 2.362 327 R HA 0.289 4.629 4.340 -0.001 0.000 0.227 327 R C 0.184 176.413 176.300 -0.119 0.000 0.905 327 R CA 0.209 56.212 56.100 -0.162 0.000 1.067 327 R CB 1.052 31.277 30.300 -0.126 0.000 1.078 327 R HN 0.316 nan 8.270 nan 0.000 0.516 328 V N 3.360 123.195 119.914 -0.132 0.000 2.350 328 V HA 0.256 4.376 4.120 -0.001 0.000 0.285 328 V C -2.303 173.757 176.094 -0.057 0.000 1.014 328 V CA -2.296 59.954 62.300 -0.083 0.000 0.831 328 V CB 1.682 33.459 31.823 -0.076 0.000 1.000 328 V HN -0.046 nan 8.190 nan 0.000 0.433 329 P HA 0.141 nan 4.420 nan 0.000 0.261 329 P C -0.591 176.671 177.300 -0.063 0.000 1.173 329 P CA 0.591 63.654 63.100 -0.062 0.000 0.760 329 P CB 0.398 32.040 31.700 -0.097 0.000 0.783 330 I N 3.985 124.527 120.570 -0.046 0.000 2.465 330 I HA 0.363 4.533 4.170 -0.001 0.000 0.291 330 I C 0.069 176.140 176.117 -0.077 0.000 1.014 330 I CA -0.744 60.532 61.300 -0.039 0.000 1.093 330 I CB 1.679 39.694 38.000 0.024 0.000 1.267 330 I HN 0.122 nan 8.210 nan 0.000 0.431 331 I N 5.115 125.641 120.570 -0.073 0.000 2.312 331 I HA 0.327 4.497 4.170 -0.001 0.000 0.290 331 I C 0.679 176.804 176.117 0.012 0.000 1.008 331 I CA -0.333 60.938 61.300 -0.049 0.000 1.226 331 I CB 1.381 39.356 38.000 -0.041 0.000 1.371 331 I HN 0.619 nan 8.210 nan 0.000 0.468 332 G N 6.156 114.969 108.800 0.021 0.000 2.339 332 G HA2 0.555 4.515 3.960 -0.001 0.000 0.287 332 G HA3 0.555 4.515 3.960 -0.001 0.000 0.287 332 G C -0.614 174.321 174.900 0.058 0.000 1.163 332 G CA -0.164 44.955 45.100 0.032 0.000 0.872 332 G HN 0.385 nan 8.290 nan 0.000 0.464 333 V N 0.790 120.739 119.914 0.058 0.000 2.888 333 V HA 0.952 5.072 4.120 -0.001 0.000 0.309 333 V C 0.278 176.408 176.094 0.061 0.000 1.114 333 V CA -0.131 62.210 62.300 0.069 0.000 0.940 333 V CB 1.618 33.490 31.823 0.081 0.000 1.021 333 V HN 1.672 nan 8.190 nan 0.000 0.426 334 G N 1.587 110.425 108.800 0.063 0.000 2.588 334 G HA2 0.532 4.491 3.960 -0.001 0.000 0.239 334 G HA3 0.532 4.491 3.960 -0.001 0.000 0.239 334 G C 0.447 175.378 174.900 0.051 0.000 1.275 334 G CA -0.110 45.022 45.100 0.054 0.000 1.181 334 G HN 2.159 nan 8.290 nan 0.000 0.595 335 G N -0.524 108.310 108.800 0.056 0.000 2.249 335 G HA2 0.025 3.984 3.960 -0.001 0.000 0.273 335 G HA3 0.025 3.984 3.960 -0.001 0.000 0.273 335 G C 0.501 175.443 174.900 0.069 0.000 1.036 335 G CA 0.552 45.687 45.100 0.058 0.000 0.824 335 G HN 1.751 nan 8.290 nan 0.000 0.504 336 V N 0.418 120.380 119.914 0.080 0.000 2.432 336 V HA 0.608 4.728 4.120 -0.001 0.000 0.271 336 V C 1.091 177.254 176.094 0.115 0.000 1.046 336 V CA 1.020 63.370 62.300 0.083 0.000 0.945 336 V CB 1.526 33.396 31.823 0.078 0.000 0.992 336 V HN 0.498 nan 8.190 nan 0.000 0.471 337 S N 2.784 118.557 115.700 0.123 0.000 2.817 337 S HA 0.282 4.752 4.470 -0.001 0.000 0.262 337 S C 0.256 174.928 174.600 0.120 0.000 1.051 337 S CA 0.344 58.658 58.200 0.190 0.000 1.185 337 S CB 0.175 63.558 63.200 0.304 0.000 1.152 337 S HN 0.988 nan 8.310 nan 0.000 0.653 338 S N -1.478 114.256 115.700 0.057 0.000 2.625 338 S HA 0.643 5.112 4.470 -0.001 0.000 0.271 338 S C 1.138 175.734 174.600 -0.007 0.000 1.161 338 S CA -0.099 58.104 58.200 0.005 0.000 0.820 338 S CB 0.538 63.733 63.200 -0.008 0.000 1.137 338 S HN 0.152 nan 8.310 nan 0.000 0.470 339 G N 0.299 109.081 108.800 -0.030 0.000 2.422 339 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 339 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 339 G C 1.145 176.038 174.900 -0.011 0.000 1.146 339 G CA 1.186 46.269 45.100 -0.028 0.000 0.769 339 G HN 0.848 nan 8.290 nan 0.000 0.547 340 Q N 0.183 119.978 119.800 -0.007 0.000 2.084 340 Q HA -0.145 4.195 4.340 -0.001 0.000 0.202 340 Q C 1.960 177.961 176.000 0.003 0.000 0.978 340 Q CA 1.692 57.496 55.803 0.000 0.000 0.844 340 Q CB -0.137 28.601 28.738 0.000 0.000 0.898 340 Q HN 0.358 nan 8.270 nan 0.000 0.426 341 D N 0.358 120.764 120.400 0.009 0.000 2.123 341 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 341 D C 1.725 178.032 176.300 0.011 0.000 0.992 341 D CA 1.477 55.487 54.000 0.016 0.000 0.833 341 D CB -0.308 40.512 40.800 0.034 0.000 0.954 341 D HN 0.428 nan 8.370 nan 0.000 0.455 342 A N 0.681 123.507 122.820 0.010 0.000 1.873 342 A HA -0.117 4.202 4.320 -0.001 0.000 0.215 342 A C 2.156 179.729 177.584 -0.019 0.000 1.186 342 A CA 0.913 52.953 52.037 0.005 0.000 0.616 342 A CB -0.719 18.286 19.000 0.009 0.000 0.823 342 A HN 0.221 nan 8.150 nan 0.000 0.442 343 L N 0.246 121.454 121.223 -0.025 0.000 2.083 343 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 343 L C 2.155 178.993 176.870 -0.053 0.000 1.083 343 L CA 2.137 56.947 54.840 -0.050 0.000 0.752 343 L CB -0.627 41.416 42.059 -0.026 0.000 0.899 343 L HN 0.511 nan 8.230 nan 0.000 0.433 344 E N -0.638 119.546 120.200 -0.027 0.000 2.110 344 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 344 E C 2.107 178.684 176.600 -0.038 0.000 0.988 344 E CA 1.286 57.671 56.400 -0.025 0.000 0.804 344 E CB -0.059 29.635 29.700 -0.010 0.000 0.745 344 E HN 0.510 nan 8.360 nan 0.000 0.458 345 K N 0.356 120.736 120.400 -0.033 0.000 2.103 345 K HA -0.044 4.275 4.320 -0.001 0.000 0.204 345 K C 2.128 178.683 176.600 -0.076 0.000 1.052 345 K CA 0.653 56.919 56.287 -0.036 0.000 0.945 345 K CB 0.037 32.529 32.500 -0.012 0.000 0.722 345 K HN 0.091 nan 8.250 nan 0.000 0.443 346 I N 0.822 121.336 120.570 -0.093 0.000 2.202 346 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 346 I C 2.248 178.249 176.117 -0.194 0.000 1.091 346 I CA 1.267 62.481 61.300 -0.144 0.000 1.368 346 I CB -0.150 37.758 38.000 -0.154 0.000 1.058 346 I HN 0.100 nan 8.210 nan 0.000 0.410 347 R N 0.686 121.084 120.500 -0.171 0.000 2.152 347 R HA -0.096 4.244 4.340 -0.001 0.000 0.232 347 R C 2.231 178.459 176.300 -0.121 0.000 1.117 347 R CA 1.276 57.284 56.100 -0.152 0.000 0.981 347 R CB -0.374 29.877 30.300 -0.083 0.000 0.870 347 R HN 0.359 nan 8.270 nan 0.000 0.451 348 A N -0.198 122.557 122.820 -0.108 0.000 2.119 348 A HA 0.125 4.444 4.320 -0.001 0.000 0.216 348 A C 1.527 179.016 177.584 -0.157 0.000 1.152 348 A CA 1.313 53.320 52.037 -0.049 0.000 0.708 348 A CB 0.136 19.123 19.000 -0.022 0.000 0.805 348 A HN 0.475 nan 8.150 nan 0.000 0.460 349 G N -2.947 105.607 108.800 -0.409 0.000 2.559 349 G HA2 0.284 4.244 3.960 -0.001 0.000 0.202 349 G HA3 0.284 4.244 3.960 -0.001 0.000 0.202 349 G C 0.270 174.989 174.900 -0.300 0.000 0.992 349 G CA 0.006 44.604 45.100 -0.837 0.000 0.764 349 G HN 1.256 nan 8.290 nan 0.000 0.525 350 A N 0.670 123.387 122.820 -0.172 0.000 2.363 350 A HA 0.751 5.071 4.320 -0.001 0.000 0.270 350 A C 1.321 178.835 177.584 -0.116 0.000 1.121 350 A CA 0.963 52.943 52.037 -0.096 0.000 0.800 350 A CB 0.840 19.803 19.000 -0.062 0.000 1.052 350 A HN 0.668 nan 8.150 nan 0.000 0.493 351 S N 1.020 116.650 115.700 -0.118 0.000 2.478 351 S HA 0.270 4.740 4.470 -0.001 0.000 0.222 351 S C 0.356 174.839 174.600 -0.196 0.000 1.008 351 S CA 0.491 58.600 58.200 -0.153 0.000 0.928 351 S CB -0.318 62.778 63.200 -0.172 0.000 0.781 351 S HN 0.587 nan 8.310 nan 0.000 0.518 352 L N 0.649 121.762 121.223 -0.183 0.000 2.479 352 L HA 0.701 5.041 4.340 -0.001 0.000 0.255 352 L C -1.056 175.829 176.870 0.026 0.000 1.026 352 L CA -1.079 53.682 54.840 -0.132 0.000 0.842 352 L CB 2.195 44.018 42.059 -0.393 0.000 1.444 352 L HN -0.042 nan 8.230 nan 0.000 0.409 353 V N -1.333 118.677 119.914 0.161 0.000 3.078 353 V HA 0.717 4.837 4.120 -0.001 0.000 0.311 353 V C -1.195 175.022 176.094 0.204 0.000 1.138 353 V CA -0.525 61.865 62.300 0.149 0.000 1.007 353 V CB 2.066 33.941 31.823 0.087 0.000 1.045 353 V HN 0.877 nan 8.190 nan 0.000 0.432 354 Q N 1.677 121.552 119.800 0.124 0.000 2.451 354 Q HA 0.858 5.197 4.340 -0.001 0.000 0.281 354 Q C -1.565 174.472 176.000 0.062 0.000 1.099 354 Q CA -0.888 54.938 55.803 0.039 0.000 0.806 354 Q CB 2.865 31.608 28.738 0.009 0.000 1.419 354 Q HN 0.923 nan 8.270 nan 0.000 0.427 355 L N -2.403 118.851 121.223 0.051 0.000 2.415 355 L HA 0.584 4.923 4.340 -0.001 0.000 0.256 355 L C -1.017 175.924 176.870 0.118 0.000 1.010 355 L CA -0.430 54.477 54.840 0.113 0.000 0.826 355 L CB 1.350 43.502 42.059 0.155 0.000 1.405 355 L HN 0.879 nan 8.230 nan 0.000 0.410 356 Y N -0.280 120.016 120.300 -0.008 0.000 3.299 356 Y HA -0.002 4.547 4.550 -0.001 0.000 0.195 356 Y C 1.595 177.484 175.900 -0.018 0.000 0.972 356 Y CA 0.496 58.574 58.100 -0.038 0.000 1.633 356 Y CB 0.796 39.244 38.460 -0.020 0.000 1.465 356 Y HN 0.666 nan 8.280 nan 0.000 0.367 357 T N 1.860 116.468 114.554 0.091 0.000 2.737 357 T HA -0.229 4.120 4.350 -0.001 0.000 0.269 357 T C 1.761 176.494 174.700 0.055 0.000 1.040 357 T CA 1.554 63.633 62.100 -0.035 0.000 1.142 357 T CB -0.588 68.272 68.868 -0.013 0.000 0.861 357 T HN 0.502 nan 8.240 nan 0.000 0.456 358 A N 1.071 123.949 122.820 0.096 0.000 1.972 358 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 358 A C 2.213 179.800 177.584 0.006 0.000 1.169 358 A CA 1.191 53.259 52.037 0.051 0.000 0.635 358 A CB -0.693 18.421 19.000 0.189 0.000 0.810 358 A HN 0.435 nan 8.150 nan 0.000 0.446 359 L N 0.457 121.727 121.223 0.077 0.000 2.141 359 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 359 L C 2.620 179.487 176.870 -0.005 0.000 1.094 359 L CA 2.699 57.573 54.840 0.057 0.000 0.763 359 L CB -0.812 41.261 42.059 0.024 0.000 0.908 359 L HN 0.541 nan 8.230 nan 0.000 0.437 360 T N -4.050 110.460 114.554 -0.073 0.000 3.035 360 T HA -0.089 4.260 4.350 -0.001 0.000 0.268 360 T C 1.535 175.961 174.700 -0.456 0.000 1.109 360 T CA 1.194 63.159 62.100 -0.225 0.000 1.119 360 T CB -0.607 68.050 68.868 -0.351 0.000 0.900 360 T HN 0.333 nan 8.240 nan 0.000 0.503 361 F N -0.924 118.794 119.950 -0.386 0.000 2.453 361 F HA 0.390 4.917 4.527 -0.001 0.000 0.284 361 F C 1.833 177.383 175.800 -0.417 0.000 1.065 361 F CA -0.365 57.229 58.000 -0.677 0.000 1.411 361 F CB 0.140 38.285 39.000 -1.425 0.000 1.131 361 F HN 0.148 nan 8.300 nan 0.000 0.582 362 W N 0.336 121.768 121.300 0.221 0.000 2.872 362 W HA 0.448 5.108 4.660 -0.001 0.000 0.266 362 W C 1.148 177.739 176.519 0.121 0.000 1.276 362 W CA 0.259 57.688 57.345 0.139 0.000 1.471 362 W CB -0.110 29.403 29.460 0.088 0.000 1.071 362 W HN 0.102 nan 8.180 nan 0.000 0.619 363 G N 0.724 109.681 108.800 0.262 0.000 2.796 363 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.571 363 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.571 363 G C -1.789 173.133 174.900 0.038 0.000 1.370 363 G CA -0.594 44.620 45.100 0.189 0.000 0.856 363 G HN -0.121 nan 8.290 nan 0.000 0.538 364 P HA -0.103 nan 4.420 nan 0.000 0.218 364 P C -1.138 176.027 177.300 -0.224 0.000 1.152 364 P CA 2.578 65.579 63.100 -0.165 0.000 0.857 364 P CB -0.442 31.156 31.700 -0.170 0.000 0.787 365 P HA -0.121 nan 4.420 nan 0.000 0.221 365 P C 1.649 178.872 177.300 -0.128 0.000 1.145 365 P CA 0.826 63.794 63.100 -0.220 0.000 0.795 365 P CB -0.391 31.169 31.700 -0.232 0.000 0.775 366 V N -0.477 119.409 119.914 -0.047 0.000 2.594 366 V HA -0.202 3.918 4.120 -0.001 0.000 0.253 366 V C 2.056 178.091 176.094 -0.098 0.000 1.069 366 V CA 1.692 63.994 62.300 0.003 0.000 1.082 366 V CB -0.772 31.165 31.823 0.189 0.000 0.680 366 V HN -0.066 nan 8.190 nan 0.000 0.469 367 V N 0.726 120.518 119.914 -0.202 0.000 2.261 367 V HA -0.154 3.965 4.120 -0.001 0.000 0.246 367 V C 2.711 178.630 176.094 -0.292 0.000 1.047 367 V CA 2.237 64.336 62.300 -0.335 0.000 1.015 367 V CB -1.552 29.897 31.823 -0.624 0.000 0.642 367 V HN 0.611 nan 8.190 nan 0.000 0.446 368 G N -0.742 107.901 108.800 -0.261 0.000 2.408 368 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 368 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 368 G C 1.646 176.308 174.900 -0.397 0.000 1.150 368 G CA 0.936 45.846 45.100 -0.317 0.000 0.776 368 G HN 0.465 nan 8.290 nan 0.000 0.542 369 K N 0.142 120.394 120.400 -0.246 0.000 2.032 369 K HA -0.083 4.236 4.320 -0.001 0.000 0.209 369 K C 2.572 179.043 176.600 -0.214 0.000 1.048 369 K CA 1.500 57.665 56.287 -0.204 0.000 0.927 369 K CB -0.334 32.082 32.500 -0.141 0.000 0.712 369 K HN 0.188 nan 8.250 nan 0.000 0.441 370 V N 1.779 121.585 119.914 -0.180 0.000 2.343 370 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 370 V C 2.218 178.199 176.094 -0.189 0.000 1.051 370 V CA 1.875 64.094 62.300 -0.135 0.000 1.036 370 V CB -0.373 31.407 31.823 -0.072 0.000 0.654 370 V HN 0.366 nan 8.190 nan 0.000 0.451 371 K N -0.335 119.876 120.400 -0.315 0.000 2.057 371 K HA -0.180 4.139 4.320 -0.001 0.000 0.206 371 K C 2.392 178.686 176.600 -0.510 0.000 1.050 371 K CA 1.399 57.450 56.287 -0.392 0.000 0.935 371 K CB -0.237 31.944 32.500 -0.532 0.000 0.715 371 K HN 0.322 nan 8.250 nan 0.000 0.439 372 R N 1.730 121.796 120.500 -0.722 0.000 2.075 372 R HA -0.147 4.193 4.340 -0.001 0.000 0.232 372 R C 1.742 177.958 176.300 -0.140 0.000 1.126 372 R CA 1.615 57.465 56.100 -0.416 0.000 0.963 372 R CB 0.056 30.165 30.300 -0.320 0.000 0.858 372 R HN 0.229 nan 8.270 nan 0.000 0.435 373 E N 0.401 120.516 120.200 -0.141 0.000 2.106 373 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 373 E C 1.953 178.532 176.600 -0.035 0.000 0.984 373 E CA 0.945 57.304 56.400 -0.068 0.000 0.806 373 E CB -0.104 29.554 29.700 -0.070 0.000 0.750 373 E HN 0.202 nan 8.360 nan 0.000 0.458 374 L N 1.702 122.896 121.223 -0.048 0.000 2.017 374 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 374 L C 2.234 179.119 176.870 0.026 0.000 1.073 374 L CA 1.908 56.741 54.840 -0.011 0.000 0.745 374 L CB -0.353 41.696 42.059 -0.017 0.000 0.894 374 L HN 0.059 nan 8.230 nan 0.000 0.432 375 E N -0.614 119.611 120.200 0.041 0.000 2.058 375 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 375 E C 2.084 178.732 176.600 0.080 0.000 0.997 375 E CA 1.264 57.719 56.400 0.092 0.000 0.801 375 E CB -0.197 29.602 29.700 0.164 0.000 0.746 375 E HN 0.624 nan 8.360 nan 0.000 0.450 376 A N 0.957 123.812 122.820 0.059 0.000 1.902 376 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 376 A C 2.214 179.830 177.584 0.054 0.000 1.181 376 A CA 1.195 53.262 52.037 0.051 0.000 0.623 376 A CB -0.672 18.347 19.000 0.031 0.000 0.818 376 A HN 0.306 nan 8.150 nan 0.000 0.443 377 L N -0.726 120.528 121.223 0.052 0.000 2.083 377 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 377 L C 2.566 179.511 176.870 0.125 0.000 1.083 377 L CA 0.930 55.812 54.840 0.069 0.000 0.752 377 L CB -0.518 41.574 42.059 0.054 0.000 0.899 377 L HN 0.377 nan 8.230 nan 0.000 0.433 378 L N -0.326 120.980 121.223 0.139 0.000 2.042 378 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 378 L C 2.675 179.668 176.870 0.205 0.000 1.076 378 L CA 1.517 56.499 54.840 0.237 0.000 0.749 378 L CB -0.465 41.691 42.059 0.161 0.000 0.893 378 L HN 0.225 nan 8.230 nan 0.000 0.432 379 K N 0.019 120.490 120.400 0.118 0.000 2.002 379 K HA -0.192 4.127 4.320 -0.001 0.000 0.209 379 K C 1.971 178.595 176.600 0.040 0.000 1.048 379 K CA 1.592 57.922 56.287 0.072 0.000 0.930 379 K CB -0.219 32.315 32.500 0.057 0.000 0.714 379 K HN 0.351 nan 8.250 nan 0.000 0.438 380 E N 0.926 121.152 120.200 0.042 0.000 2.160 380 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 380 E C 1.566 178.161 176.600 -0.009 0.000 0.991 380 E CA 1.071 57.481 56.400 0.017 0.000 0.810 380 E CB 0.025 29.740 29.700 0.024 0.000 0.742 380 E HN 0.349 nan 8.360 nan 0.000 0.466 381 Q N -0.785 119.017 119.800 0.004 0.000 2.246 381 Q HA 0.124 4.463 4.340 -0.001 0.000 0.202 381 Q C 0.649 176.425 176.000 -0.373 0.000 0.883 381 Q CA 0.280 56.020 55.803 -0.104 0.000 0.952 381 Q CB 1.049 29.822 28.738 0.058 0.000 1.078 381 Q HN 0.384 nan 8.270 nan 0.000 0.493 382 G N 0.743 109.406 108.800 -0.228 0.000 2.148 382 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.254 382 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.254 382 G C -0.202 174.523 174.900 -0.291 0.000 0.981 382 G CA -0.212 44.731 45.100 -0.261 0.000 0.670 382 G HN 0.327 nan 8.290 nan 0.000 0.528 383 F N 0.487 120.443 119.950 0.010 0.000 2.410 383 F HA 0.509 5.036 4.527 -0.001 0.000 0.348 383 F C 1.798 177.607 175.800 0.016 0.000 1.106 383 F CA 0.152 58.160 58.000 0.012 0.000 1.163 383 F CB 1.514 40.521 39.000 0.011 0.000 1.129 383 F HN -0.011 nan 8.300 nan 0.000 0.516 384 G N 1.953 110.871 108.800 0.196 0.000 2.443 384 G HA2 0.325 4.285 3.960 -0.001 0.000 0.219 384 G HA3 0.325 4.285 3.960 -0.001 0.000 0.219 384 G C 0.533 175.503 174.900 0.117 0.000 1.131 384 G CA 0.739 45.910 45.100 0.119 0.000 0.775 384 G HN 0.981 nan 8.290 nan 0.000 0.547 385 G N -2.174 106.708 108.800 0.137 0.000 2.495 385 G HA2 0.338 4.297 3.960 -0.001 0.000 0.294 385 G HA3 0.338 4.297 3.960 -0.001 0.000 0.294 385 G C 0.452 175.375 174.900 0.039 0.000 1.397 385 G CA 0.162 45.314 45.100 0.087 0.000 0.790 385 G HN 0.105 nan 8.290 nan 0.000 0.486 386 V N 0.359 120.276 119.914 0.005 0.000 2.282 386 V HA -0.189 3.930 4.120 -0.001 0.000 0.249 386 V C 3.148 179.187 176.094 -0.092 0.000 1.057 386 V CA 3.020 65.284 62.300 -0.060 0.000 1.032 386 V CB -1.034 30.774 31.823 -0.026 0.000 0.645 386 V HN 0.865 nan 8.190 nan 0.000 0.447 387 T N -0.332 114.201 114.554 -0.036 0.000 2.699 387 T HA -0.239 4.110 4.350 -0.001 0.000 0.268 387 T C 1.608 176.290 174.700 -0.030 0.000 1.036 387 T CA 1.813 63.895 62.100 -0.029 0.000 1.147 387 T CB -0.447 68.425 68.868 0.006 0.000 0.862 387 T HN 0.532 nan 8.240 nan 0.000 0.446 388 D N 1.183 121.587 120.400 0.007 0.000 2.218 388 D HA 0.018 4.658 4.640 -0.001 0.000 0.204 388 D C 2.160 178.445 176.300 -0.025 0.000 0.976 388 D CA 1.004 55.053 54.000 0.082 0.000 0.853 388 D CB -0.212 40.730 40.800 0.235 0.000 0.939 388 D HN 0.470 nan 8.370 nan 0.000 0.481 389 A N 0.536 123.121 122.820 -0.392 0.000 2.123 389 A HA 0.072 4.392 4.320 -0.001 0.000 0.214 389 A C 1.286 178.620 177.584 -0.418 0.000 1.152 389 A CA -0.212 51.290 52.037 -0.891 0.000 0.728 389 A CB -0.240 17.984 19.000 -1.292 0.000 0.814 389 A HN 0.126 nan 8.150 nan 0.000 0.464 390 I N 0.898 121.321 120.570 -0.244 0.000 2.752 390 I HA 0.143 4.312 4.170 -0.001 0.000 0.286 390 I C 1.541 177.541 176.117 -0.195 0.000 1.180 390 I CA 1.228 62.411 61.300 -0.195 0.000 1.404 390 I CB -0.239 37.695 38.000 -0.111 0.000 1.389 390 I HN 0.459 nan 8.210 nan 0.000 0.549 391 G N 4.578 113.166 108.800 -0.352 0.000 2.155 391 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.257 391 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.257 391 G C 1.140 176.021 174.900 -0.032 0.000 0.983 391 G CA 0.473 45.308 45.100 -0.443 0.000 0.676 391 G HN 0.867 nan 8.290 nan 0.000 0.528 392 A N 0.210 123.016 122.820 -0.023 0.000 1.948 392 A HA -0.063 4.256 4.320 -0.001 0.000 0.220 392 A C 2.029 179.682 177.584 0.114 0.000 1.177 392 A CA 2.362 54.460 52.037 0.102 0.000 0.636 392 A CB -0.353 18.756 19.000 0.182 0.000 0.815 392 A HN 0.439 nan 8.150 nan 0.000 0.449 393 D N -0.900 119.536 120.400 0.060 0.000 2.218 393 D HA -0.113 4.527 4.640 -0.001 0.000 0.204 393 D C 1.535 177.808 176.300 -0.046 0.000 0.976 393 D CA 1.057 55.047 54.000 -0.015 0.000 0.853 393 D CB -0.472 40.258 40.800 -0.117 0.000 0.939 393 D HN 0.688 nan 8.370 nan 0.000 0.481 394 H N 0.192 119.277 119.070 0.026 0.000 2.529 394 H HA 0.075 4.630 4.556 -0.001 0.000 0.277 394 H C 1.545 176.922 175.328 0.081 0.000 0.999 394 H CA 0.607 56.703 56.048 0.080 0.000 1.256 394 H CB 0.534 30.405 29.762 0.183 0.000 1.402 394 H HN 0.280 nan 8.280 nan 0.000 0.566 395 R N 0.719 121.328 120.500 0.182 0.000 2.393 395 R HA 0.191 4.530 4.340 -0.001 0.000 0.244 395 R C 0.583 176.933 176.300 0.083 0.000 0.920 395 R CA -0.247 55.929 56.100 0.127 0.000 1.076 395 R CB 0.525 30.900 30.300 0.125 0.000 1.119 395 R HN -0.007 nan 8.270 nan 0.000 0.524 396 R N 0.000 120.540 120.500 0.067 0.000 2.786 396 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 396 R CA 0.000 56.125 56.100 0.042 0.000 0.921 396 R CB 0.000 30.317 30.300 0.028 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535