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 2fpv_1_A DATA FIRST_RESID 33 DATA SEQUENCE GDERFYAEHL MPTLQGLLDP ESAHRLAVRF TSLGLLPRAR FQDSDMLEVR DATA SEQUENCE VLGHKFRNPV GIAAGFDKHG EAVDGLYKMG FGFVEIGSVT PKPQEGNPRP DATA SEQUENCE RVFRLPEDQA VINRYGFNSH GLSVVEHRLR ARQQKQAKLT EDGLPLGVNL DATA SEQUENCE GKNKTSVDAA EDYAEGVRVL GPLADYLVVN VSSPNTAGLR SLQGKAELRR DATA SEQUENCE LLTKVLQERD GLRRVHRPAV LVKIAPDLTS QDKEDIASVV KELGIDGLIV DATA SEQUENCE TNTTVSRPAG LQGALRSETG GLSGKPLRDL STQTIREMYA LTQGRVPIIG DATA SEQUENCE VGGVSSGQDA LEKIRAGASL VQLYTALTFW GPPVVGKVKR ELEALLKEQG DATA SEQUENCE FGGVTDAIGA DHRR 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 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 33 G C 0.000 175.024 174.900 0.206 0.000 0.946 33 G CA 0.000 45.270 45.100 0.283 0.000 0.502 34 D N -0.964 119.641 120.400 0.343 0.000 2.937 34 D HA 0.182 4.822 4.640 -0.000 0.000 0.215 34 D C 0.704 177.185 176.300 0.301 0.000 1.274 34 D CA -0.320 53.831 54.000 0.251 0.000 0.869 34 D CB 2.109 43.044 40.800 0.225 0.000 1.675 34 D HN 0.458 nan 8.370 nan 0.000 0.538 35 E N 1.975 122.263 120.200 0.147 0.000 2.070 35 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 35 E C 1.749 178.455 176.600 0.177 0.000 1.004 35 E CA 1.020 57.488 56.400 0.114 0.000 0.805 35 E CB 0.260 29.972 29.700 0.020 0.000 0.744 35 E HN 0.376 nan 8.360 nan 0.000 0.451 36 R N 0.045 120.649 120.500 0.173 0.000 2.092 36 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 36 R C 2.227 178.705 176.300 0.296 0.000 1.119 36 R CA 0.951 57.161 56.100 0.183 0.000 0.970 36 R CB -0.224 30.164 30.300 0.147 0.000 0.864 36 R HN 0.139 nan 8.270 nan 0.000 0.440 37 F N 0.199 120.267 119.950 0.197 0.000 2.102 37 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 37 F C 1.425 177.360 175.800 0.225 0.000 1.105 37 F CA 1.447 59.553 58.000 0.177 0.000 1.239 37 F CB -0.449 38.599 39.000 0.080 0.000 0.991 37 F HN -0.002 nan 8.300 nan 0.000 0.474 38 Y N 0.072 120.425 120.300 0.088 0.000 2.200 38 Y HA -0.074 4.476 4.550 -0.000 0.000 0.290 38 Y C 2.625 178.566 175.900 0.068 0.000 1.137 38 Y CA 1.482 59.589 58.100 0.011 0.000 1.163 38 Y CB -1.215 37.322 38.460 0.128 0.000 0.988 38 Y HN 0.130 nan 8.280 nan 0.000 0.518 39 A N -0.217 122.802 122.820 0.330 0.000 1.930 39 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 39 A C 1.950 179.679 177.584 0.241 0.000 1.175 39 A CA 1.924 54.195 52.037 0.390 0.000 0.627 39 A CB -0.399 18.774 19.000 0.288 0.000 0.815 39 A HN 0.524 nan 8.150 nan 0.000 0.443 40 E N -2.430 117.848 120.200 0.131 0.000 2.307 40 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 40 E C 1.378 177.808 176.600 -0.283 0.000 0.975 40 E CA 0.642 57.028 56.400 -0.024 0.000 0.878 40 E CB 0.133 29.834 29.700 0.002 0.000 0.845 40 E HN 0.813 nan 8.360 nan 0.000 0.488 41 H N -0.422 118.494 119.070 -0.256 0.000 2.247 41 H HA 0.169 4.725 4.556 -0.000 0.000 0.267 41 H C 1.773 176.835 175.328 -0.443 0.000 0.952 41 H CA 0.029 55.850 56.048 -0.378 0.000 1.250 41 H CB -0.157 29.267 29.762 -0.563 0.000 1.441 41 H HN -0.091 nan 8.280 nan 0.000 0.553 42 L N 0.183 121.046 121.223 -0.599 0.000 1.955 42 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 42 L C 1.852 178.577 176.870 -0.241 0.000 1.072 42 L CA 1.408 55.953 54.840 -0.490 0.000 0.755 42 L CB -0.118 41.463 42.059 -0.797 0.000 0.888 42 L HN 0.238 nan 8.230 nan 0.000 0.432 43 M N -0.522 118.993 119.600 -0.143 0.000 2.080 43 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 43 M C -0.000 176.264 176.300 -0.059 0.000 1.068 43 M CA 1.946 57.216 55.300 -0.049 0.000 1.109 43 M CB -2.499 30.131 32.600 0.050 0.000 1.342 43 M HN 0.151 nan 8.290 nan 0.000 0.405 44 P HA -0.088 nan 4.420 nan 0.000 0.215 44 P C 1.547 178.812 177.300 -0.059 0.000 1.153 44 P CA 1.492 64.566 63.100 -0.043 0.000 0.853 44 P CB -0.224 31.445 31.700 -0.051 0.000 0.788 45 T N -0.140 114.366 114.554 -0.079 0.000 2.777 45 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 45 T C 1.669 176.332 174.700 -0.062 0.000 1.040 45 T CA 0.953 63.014 62.100 -0.065 0.000 1.141 45 T CB -0.926 67.901 68.868 -0.068 0.000 0.868 45 T HN -0.006 nan 8.240 nan 0.000 0.444 46 L N 1.366 122.540 121.223 -0.081 0.000 2.017 46 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 46 L C 2.354 179.184 176.870 -0.066 0.000 1.073 46 L CA 1.778 56.569 54.840 -0.080 0.000 0.745 46 L CB -0.752 41.245 42.059 -0.104 0.000 0.894 46 L HN 0.248 nan 8.230 nan 0.000 0.432 47 Q N -0.961 118.799 119.800 -0.067 0.000 2.291 47 Q HA -0.064 4.276 4.340 -0.000 0.000 0.205 47 Q C 1.928 177.902 176.000 -0.043 0.000 0.970 47 Q CA 1.006 56.771 55.803 -0.064 0.000 0.876 47 Q CB -0.347 28.347 28.738 -0.075 0.000 0.935 47 Q HN 0.696 nan 8.270 nan 0.000 0.455 48 G N 0.042 108.820 108.800 -0.037 0.000 2.623 48 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.214 48 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.214 48 G C 1.253 176.140 174.900 -0.021 0.000 1.138 48 G CA 0.088 45.173 45.100 -0.025 0.000 0.794 48 G HN 0.152 nan 8.290 nan 0.000 0.535 49 L N -0.795 120.412 121.223 -0.026 0.000 2.470 49 L HA 0.435 4.775 4.340 -0.000 0.000 0.219 49 L C 0.444 177.302 176.870 -0.019 0.000 1.071 49 L CA 0.212 55.040 54.840 -0.020 0.000 0.850 49 L CB 0.134 42.181 42.059 -0.019 0.000 1.040 49 L HN 0.024 nan 8.230 nan 0.000 0.475 50 L N 0.123 121.329 121.223 -0.027 0.000 2.370 50 L HA 0.331 4.671 4.340 -0.000 0.000 0.266 50 L C -0.699 176.151 176.870 -0.033 0.000 1.002 50 L CA -1.035 53.790 54.840 -0.025 0.000 0.818 50 L CB 2.029 44.072 42.059 -0.026 0.000 1.325 50 L HN 0.066 nan 8.230 nan 0.000 0.418 51 D N 1.036 121.417 120.400 -0.032 0.000 2.360 51 D HA 0.098 4.737 4.640 -0.000 0.000 0.242 51 D C -2.191 174.075 176.300 -0.057 0.000 1.184 51 D CA -1.363 52.608 54.000 -0.048 0.000 0.930 51 D CB 1.051 41.818 40.800 -0.055 0.000 1.161 51 D HN 0.179 nan 8.370 nan 0.000 0.447 52 P HA -0.218 nan 4.420 nan 0.000 0.215 52 P C 1.380 178.670 177.300 -0.018 0.000 1.163 52 P CA 1.788 64.834 63.100 -0.089 0.000 0.894 52 P CB 0.102 31.702 31.700 -0.166 0.000 0.791 53 E N -0.812 119.366 120.200 -0.036 0.000 2.072 53 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 53 E C 1.894 178.557 176.600 0.106 0.000 0.985 53 E CA 1.400 57.848 56.400 0.079 0.000 0.801 53 E CB -0.362 29.349 29.700 0.017 0.000 0.750 53 E HN 0.065 nan 8.360 nan 0.000 0.452 54 S N 0.274 115.996 115.700 0.038 0.000 2.383 54 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 54 S C 2.001 176.618 174.600 0.028 0.000 1.026 54 S CA 0.874 59.092 58.200 0.031 0.000 0.981 54 S CB -0.208 62.997 63.200 0.008 0.000 0.818 54 S HN 0.487 nan 8.310 nan 0.000 0.472 55 A N 1.219 124.053 122.820 0.024 0.000 1.902 55 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 55 A C 1.883 179.500 177.584 0.056 0.000 1.181 55 A CA 2.092 54.136 52.037 0.012 0.000 0.623 55 A CB -0.954 18.040 19.000 -0.010 0.000 0.818 55 A HN 0.631 nan 8.150 nan 0.000 0.443 56 H N -0.093 118.988 119.070 0.017 0.000 2.321 56 H HA -0.050 4.506 4.556 -0.000 0.000 0.300 56 H C 2.193 177.501 175.328 -0.032 0.000 1.087 56 H CA 2.072 58.136 56.048 0.026 0.000 1.319 56 H CB -0.167 29.622 29.762 0.044 0.000 1.379 56 H HN 0.442 nan 8.280 nan 0.000 0.501 57 R N -0.522 119.894 120.500 -0.140 0.000 2.091 57 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 57 R C 2.320 178.549 176.300 -0.119 0.000 1.136 57 R CA 1.424 57.419 56.100 -0.175 0.000 0.959 57 R CB -0.485 29.806 30.300 -0.016 0.000 0.856 57 R HN 0.298 nan 8.270 nan 0.000 0.437 58 L N 0.788 121.989 121.223 -0.037 0.000 2.083 58 L HA -0.072 4.267 4.340 -0.000 0.000 0.209 58 L C 2.262 179.170 176.870 0.064 0.000 1.083 58 L CA 1.810 56.676 54.840 0.043 0.000 0.752 58 L CB -0.613 41.443 42.059 -0.004 0.000 0.899 58 L HN 0.143 nan 8.230 nan 0.000 0.433 59 A N -1.108 121.703 122.820 -0.016 0.000 1.883 59 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 59 A C 2.262 179.908 177.584 0.103 0.000 1.186 59 A CA 2.137 54.228 52.037 0.090 0.000 0.624 59 A CB -1.144 17.985 19.000 0.216 0.000 0.822 59 A HN 0.291 nan 8.150 nan 0.000 0.444 60 V N 0.236 120.025 119.914 -0.208 0.000 2.343 60 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 60 V C 2.742 178.821 176.094 -0.026 0.000 1.051 60 V CA 2.036 64.181 62.300 -0.258 0.000 1.036 60 V CB -0.835 30.691 31.823 -0.495 0.000 0.654 60 V HN 0.464 nan 8.190 nan 0.000 0.451 61 R N -0.661 119.857 120.500 0.031 0.000 2.082 61 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 61 R C 2.214 178.603 176.300 0.148 0.000 1.136 61 R CA 1.830 57.985 56.100 0.091 0.000 0.935 61 R CB -1.063 29.318 30.300 0.136 0.000 0.842 61 R HN 0.444 nan 8.270 nan 0.000 0.430 62 F N 1.165 121.132 119.950 0.028 0.000 2.126 62 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 62 F C 2.672 178.515 175.800 0.072 0.000 1.096 62 F CA 1.599 59.634 58.000 0.058 0.000 1.255 62 F CB -0.830 38.220 39.000 0.083 0.000 0.997 62 F HN 0.078 nan 8.300 nan 0.000 0.479 63 T N -0.866 113.854 114.554 0.277 0.000 2.777 63 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 63 T C 2.275 177.050 174.700 0.124 0.000 1.040 63 T CA 1.661 63.885 62.100 0.207 0.000 1.141 63 T CB -0.628 68.397 68.868 0.261 0.000 0.868 63 T HN 0.396 nan 8.240 nan 0.000 0.444 64 S N 1.642 117.394 115.700 0.087 0.000 2.419 64 S HA 0.026 4.496 4.470 -0.000 0.000 0.233 64 S C 1.856 176.475 174.600 0.031 0.000 1.016 64 S CA 0.791 59.019 58.200 0.046 0.000 0.974 64 S CB -0.677 62.537 63.200 0.022 0.000 0.786 64 S HN 0.462 nan 8.310 nan 0.000 0.492 65 L N 0.770 122.002 121.223 0.016 0.000 2.592 65 L HA 0.330 4.670 4.340 -0.000 0.000 0.227 65 L C 1.855 178.724 176.870 -0.002 0.000 1.127 65 L CA 0.324 55.151 54.840 -0.023 0.000 0.884 65 L CB -0.588 41.407 42.059 -0.106 0.000 1.065 65 L HN 0.584 nan 8.230 nan 0.000 0.457 66 G N 0.811 109.637 108.800 0.043 0.000 2.148 66 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 66 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 66 G C 0.328 175.271 174.900 0.072 0.000 0.981 66 G CA -0.184 44.953 45.100 0.061 0.000 0.670 66 G HN 0.278 nan 8.290 nan 0.000 0.528 67 L N 0.827 122.095 121.223 0.076 0.000 2.376 67 L HA 0.459 4.799 4.340 -0.000 0.000 0.250 67 L C 0.641 177.665 176.870 0.257 0.000 1.335 67 L CA 0.069 54.983 54.840 0.123 0.000 1.214 67 L CB -0.308 41.748 42.059 -0.005 0.000 1.395 67 L HN 0.162 nan 8.230 nan 0.000 0.424 68 L N 2.039 123.373 121.223 0.184 0.000 2.333 68 L HA 0.662 5.002 4.340 -0.000 0.000 0.263 68 L C -1.998 174.959 176.870 0.146 0.000 1.014 68 L CA -1.994 52.951 54.840 0.175 0.000 0.820 68 L CB 1.780 43.906 42.059 0.113 0.000 1.352 68 L HN 0.192 nan 8.230 nan 0.000 0.421 69 P HA 0.123 nan 4.420 nan 0.000 0.272 69 P C -0.809 176.517 177.300 0.044 0.000 1.230 69 P CA -0.658 62.501 63.100 0.099 0.000 0.788 69 P CB 0.768 32.467 31.700 -0.003 0.000 0.949 70 R N 1.324 121.854 120.500 0.050 0.000 2.480 70 R HA 0.189 4.529 4.340 -0.000 0.000 0.303 70 R C 0.337 176.649 176.300 0.020 0.000 0.985 70 R CA 0.106 56.227 56.100 0.035 0.000 1.051 70 R CB -0.378 29.942 30.300 0.035 0.000 0.935 70 R HN 0.547 nan 8.270 nan 0.000 0.410 71 A N 6.438 129.271 122.820 0.022 0.000 3.037 71 A HA 0.079 4.399 4.320 -0.000 0.000 0.272 71 A C 1.241 178.853 177.584 0.047 0.000 1.723 71 A CA -0.372 51.680 52.037 0.025 0.000 1.413 71 A CB -0.378 18.639 19.000 0.028 0.000 1.112 71 A HN 1.051 nan 8.150 nan 0.000 0.606 72 R N 0.866 121.397 120.500 0.051 0.000 2.154 72 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 72 R C 0.760 177.108 176.300 0.080 0.000 1.121 72 R CA 1.084 57.220 56.100 0.059 0.000 0.915 72 R CB -0.909 29.430 30.300 0.065 0.000 0.856 72 R HN 0.459 nan 8.270 nan 0.000 0.431 73 F N 3.064 123.001 119.950 -0.021 0.000 2.568 73 F HA -0.148 4.379 4.527 -0.000 0.000 0.394 73 F C -0.097 175.699 175.800 -0.008 0.000 1.032 73 F CA 0.841 58.831 58.000 -0.017 0.000 1.242 73 F CB 0.381 39.365 39.000 -0.027 0.000 0.966 73 F HN 0.210 nan 8.300 nan 0.000 0.560 74 Q N 4.972 124.270 119.800 -0.838 0.000 2.348 74 Q HA 0.183 4.522 4.340 -0.000 0.000 0.265 74 Q C -1.011 174.473 176.000 -0.860 0.000 0.998 74 Q CA -1.105 54.346 55.803 -0.587 0.000 0.831 74 Q CB 1.146 29.678 28.738 -0.343 0.000 1.251 74 Q HN 0.514 nan 8.270 nan 0.000 0.456 75 D N 2.326 122.489 120.400 -0.396 0.000 2.472 75 D HA -0.015 4.625 4.640 -0.000 0.000 0.248 75 D C 0.174 176.404 176.300 -0.117 0.000 1.174 75 D CA 0.513 54.438 54.000 -0.124 0.000 0.883 75 D CB 0.688 41.537 40.800 0.081 0.000 1.149 75 D HN 0.457 nan 8.370 nan 0.000 0.488 76 S N 1.427 117.096 115.700 -0.052 0.000 2.672 76 S HA 0.206 4.676 4.470 -0.000 0.000 0.276 76 S C 0.739 175.362 174.600 0.038 0.000 1.207 76 S CA -0.819 57.370 58.200 -0.018 0.000 1.002 76 S CB 1.570 64.774 63.200 0.008 0.000 0.998 76 S HN 0.171 nan 8.310 nan 0.000 0.542 77 D N 0.839 121.257 120.400 0.030 0.000 2.221 77 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 77 D C 1.683 178.019 176.300 0.060 0.000 0.982 77 D CA 1.296 55.322 54.000 0.042 0.000 0.857 77 D CB -0.377 40.442 40.800 0.031 0.000 0.934 77 D HN 0.565 nan 8.370 nan 0.000 0.475 78 M N -0.339 119.301 119.600 0.067 0.000 2.279 78 M HA -0.097 4.382 4.480 -0.000 0.000 0.264 78 M C 1.723 178.074 176.300 0.085 0.000 1.062 78 M CA 0.968 56.314 55.300 0.077 0.000 1.099 78 M CB -0.036 32.616 32.600 0.087 0.000 1.394 78 M HN 0.040 nan 8.290 nan 0.000 0.426 79 L N -0.710 120.577 121.223 0.107 0.000 2.509 79 L HA 0.055 4.395 4.340 -0.000 0.000 0.222 79 L C 1.093 178.033 176.870 0.117 0.000 1.123 79 L CA -0.138 54.774 54.840 0.120 0.000 0.856 79 L CB -0.371 41.794 42.059 0.176 0.000 0.985 79 L HN 0.272 nan 8.230 nan 0.000 0.456 80 E N 1.251 121.514 120.200 0.106 0.000 2.384 80 E HA 0.221 4.571 4.350 -0.000 0.000 0.266 80 E C -1.150 175.510 176.600 0.100 0.000 1.012 80 E CA -0.094 56.375 56.400 0.115 0.000 0.901 80 E CB 0.990 30.745 29.700 0.093 0.000 0.967 80 E HN -0.131 nan 8.360 nan 0.000 0.435 81 V N 4.899 124.893 119.914 0.133 0.000 2.760 81 V HA 0.362 4.482 4.120 -0.000 0.000 0.309 81 V C -0.497 175.695 176.094 0.163 0.000 1.077 81 V CA -0.829 61.523 62.300 0.086 0.000 0.910 81 V CB 1.853 33.665 31.823 -0.018 0.000 1.008 81 V HN 0.722 nan 8.190 nan 0.000 0.424 82 R N 3.313 123.877 120.500 0.106 0.000 2.288 82 R HA 0.861 5.201 4.340 -0.000 0.000 0.326 82 R C -1.685 174.667 176.300 0.087 0.000 0.959 82 R CA -0.233 55.951 56.100 0.140 0.000 0.834 82 R CB 1.689 32.038 30.300 0.083 0.000 1.157 82 R HN 0.593 nan 8.270 nan 0.000 0.470 83 V N 5.505 125.508 119.914 0.148 0.000 3.264 83 V HA 0.291 4.411 4.120 -0.000 0.000 0.294 83 V C -0.244 175.945 176.094 0.159 0.000 1.429 83 V CA -0.798 61.531 62.300 0.050 0.000 1.053 83 V CB 1.913 33.663 31.823 -0.123 0.000 1.128 83 V HN 0.980 nan 8.190 nan 0.000 0.452 84 L N 3.870 125.135 121.223 0.070 0.000 4.001 84 L HA -0.201 4.139 4.340 -0.000 0.000 0.413 84 L C 1.260 178.211 176.870 0.136 0.000 1.185 84 L CA 0.977 55.885 54.840 0.113 0.000 0.963 84 L CB -1.611 40.541 42.059 0.155 0.000 1.976 84 L HN 1.703 nan 8.230 nan 0.000 0.939 85 G N -1.314 107.502 108.800 0.025 0.000 2.153 85 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 85 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 85 G C 0.134 174.791 174.900 -0.406 0.000 0.994 85 G CA 0.595 45.600 45.100 -0.158 0.000 0.698 85 G HN 0.634 nan 8.290 nan 0.000 0.521 86 H N -1.122 118.001 119.070 0.088 0.000 2.985 86 H HA 0.503 5.059 4.556 0.000 0.000 0.360 86 H C -0.356 175.002 175.328 0.049 0.000 1.221 86 H CA -0.625 55.421 56.048 -0.004 0.000 1.121 86 H CB 1.847 31.510 29.762 -0.165 0.000 1.854 86 H HN 0.233 nan 8.280 nan 0.000 0.551 87 K N 1.523 121.967 120.400 0.073 0.000 2.159 87 K HA 0.389 4.709 4.320 -0.000 0.000 0.266 87 K C -1.431 175.147 176.600 -0.037 0.000 0.975 87 K CA -0.399 55.947 56.287 0.098 0.000 0.865 87 K CB 0.605 33.135 32.500 0.050 0.000 1.087 87 K HN 0.196 nan 8.250 nan 0.000 0.446 88 F N 3.842 123.823 119.950 0.052 0.000 2.427 88 F HA 0.404 4.931 4.527 -0.000 0.000 0.348 88 F C 1.297 177.153 175.800 0.092 0.000 1.125 88 F CA -0.926 57.117 58.000 0.072 0.000 0.989 88 F CB 1.612 40.625 39.000 0.021 0.000 1.165 88 F HN 0.555 nan 8.300 nan 0.000 0.442 89 R N 1.659 122.293 120.500 0.224 0.000 2.103 89 R HA -0.173 4.167 4.340 -0.000 0.000 0.242 89 R C -0.010 176.418 176.300 0.214 0.000 1.142 89 R CA 1.488 57.694 56.100 0.176 0.000 0.960 89 R CB -0.515 29.867 30.300 0.137 0.000 0.858 89 R HN 0.821 nan 8.270 nan 0.000 0.439 90 N N -2.027 116.845 118.700 0.287 0.000 2.494 90 N HA 0.165 4.905 4.740 -0.000 0.000 0.270 90 N C -2.688 173.018 175.510 0.327 0.000 1.285 90 N CA -1.553 51.657 53.050 0.266 0.000 0.812 90 N CB 1.956 40.596 38.487 0.255 0.000 1.557 90 N HN -0.323 nan 8.380 nan 0.000 0.487 91 P HA 0.109 nan 4.420 nan 0.000 0.257 91 P C -0.736 176.785 177.300 0.369 0.000 1.325 91 P CA 0.116 63.357 63.100 0.236 0.000 0.850 91 P CB 0.226 31.975 31.700 0.082 0.000 1.324 92 V N 0.555 120.676 119.914 0.347 0.000 2.333 92 V HA 0.616 4.736 4.120 -0.000 0.000 0.274 92 V C 0.913 177.146 176.094 0.231 0.000 1.028 92 V CA -0.384 62.075 62.300 0.265 0.000 0.851 92 V CB 1.104 33.017 31.823 0.150 0.000 1.000 92 V HN 0.114 nan 8.190 nan 0.000 0.456 93 G N 3.410 112.095 108.800 -0.192 0.000 2.568 93 G HA2 0.684 4.644 3.960 -0.000 0.000 0.313 93 G HA3 0.684 4.644 3.960 -0.000 0.000 0.313 93 G C -1.183 173.278 174.900 -0.731 0.000 1.227 93 G CA -0.817 43.746 45.100 -0.895 0.000 0.979 93 G HN 0.577 nan 8.290 nan 0.000 0.486 94 I N 1.235 121.068 120.570 -1.228 0.000 2.342 94 I HA 0.613 4.783 4.170 -0.000 0.000 0.291 94 I C 0.813 176.569 176.117 -0.602 0.000 1.010 94 I CA -0.565 59.992 61.300 -1.238 0.000 1.308 94 I CB 0.722 37.771 38.000 -1.584 0.000 1.400 94 I HN 0.655 nan 8.210 nan 0.000 0.488 95 A N 6.325 128.934 122.820 -0.351 0.000 2.366 95 A HA 0.695 5.015 4.320 -0.000 0.000 0.249 95 A C 0.487 177.991 177.584 -0.133 0.000 1.084 95 A CA -0.036 51.922 52.037 -0.132 0.000 0.794 95 A CB -0.144 18.875 19.000 0.032 0.000 1.034 95 A HN 1.123 nan 8.150 nan 0.000 0.491 96 A N -0.327 122.477 122.820 -0.026 0.000 2.507 96 A HA 0.489 4.809 4.320 -0.000 0.000 0.235 96 A C 1.566 179.149 177.584 -0.001 0.000 1.070 96 A CA 0.924 52.943 52.037 -0.030 0.000 0.768 96 A CB -0.503 18.519 19.000 0.036 0.000 1.011 96 A HN 2.719 nan 8.150 nan 0.000 0.502 97 G N -0.101 108.653 108.800 -0.076 0.000 2.313 97 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.215 97 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.215 97 G C 0.902 175.679 174.900 -0.205 0.000 1.023 97 G CA 0.902 45.978 45.100 -0.038 0.000 0.626 97 G HN 1.281 nan 8.290 nan 0.000 0.503 98 F N 2.125 121.676 119.950 -0.665 0.000 2.128 98 F HA 0.344 4.870 4.527 -0.000 0.000 0.295 98 F C 0.970 176.635 175.800 -0.225 0.000 1.100 98 F CA 1.665 59.265 58.000 -0.666 0.000 1.260 98 F CB 0.349 38.774 39.000 -0.958 0.000 1.009 98 F HN 0.086 nan 8.300 nan 0.000 0.476 99 D N 0.328 120.539 120.400 -0.315 0.000 2.483 99 D HA 0.154 4.794 4.640 -0.000 0.000 0.281 99 D C 0.785 176.863 176.300 -0.369 0.000 1.174 99 D CA -0.036 53.753 54.000 -0.352 0.000 0.938 99 D CB 0.346 41.030 40.800 -0.193 0.000 1.002 99 D HN 0.164 nan 8.370 nan 0.000 0.501 100 K N 0.080 120.154 120.400 -0.542 0.000 2.147 100 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 100 K C 0.760 176.968 176.600 -0.654 0.000 1.049 100 K CA 0.952 56.849 56.287 -0.650 0.000 0.936 100 K CB 0.188 32.162 32.500 -0.876 0.000 0.722 100 K HN 0.480 nan 8.250 nan 0.000 0.446 101 H N -1.249 117.649 119.070 -0.286 0.000 2.592 101 H HA 0.210 4.766 4.556 -0.000 0.000 0.279 101 H C 0.731 175.966 175.328 -0.155 0.000 1.089 101 H CA 0.427 56.302 56.048 -0.289 0.000 1.150 101 H CB 0.730 30.112 29.762 -0.633 0.000 1.575 101 H HN 0.314 nan 8.280 nan 0.000 0.547 102 G N 2.079 110.820 108.800 -0.098 0.000 2.272 102 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.280 102 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.280 102 G C 0.600 175.484 174.900 -0.026 0.000 1.067 102 G CA 0.528 45.590 45.100 -0.063 0.000 0.902 102 G HN 0.526 nan 8.290 nan 0.000 0.500 103 E N -0.766 119.410 120.200 -0.040 0.000 2.452 103 E HA 0.410 4.760 4.350 -0.000 0.000 0.197 103 E C 1.893 178.483 176.600 -0.017 0.000 1.022 103 E CA 0.599 56.993 56.400 -0.010 0.000 0.890 103 E CB 0.452 30.152 29.700 0.000 0.000 0.918 103 E HN 0.783 nan 8.360 nan 0.000 0.496 104 A N 0.554 123.352 122.820 -0.037 0.000 2.594 104 A HA 0.242 4.561 4.320 -0.000 0.000 0.292 104 A C 1.489 179.063 177.584 -0.016 0.000 1.026 104 A CA -0.255 51.782 52.037 -0.001 0.000 0.983 104 A CB 0.069 19.088 19.000 0.031 0.000 1.233 104 A HN 0.027 nan 8.150 nan 0.000 0.519 105 V N 0.435 120.319 119.914 -0.050 0.000 2.252 105 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 105 V C 2.191 178.227 176.094 -0.096 0.000 1.056 105 V CA 2.583 64.808 62.300 -0.125 0.000 1.022 105 V CB -0.480 31.308 31.823 -0.059 0.000 0.641 105 V HN 0.579 nan 8.190 nan 0.000 0.445 106 D N 0.423 120.866 120.400 0.071 0.000 2.144 106 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 106 D C 2.193 178.579 176.300 0.144 0.000 0.984 106 D CA 1.680 55.791 54.000 0.185 0.000 0.834 106 D CB -0.399 40.488 40.800 0.144 0.000 0.955 106 D HN 0.523 nan 8.370 nan 0.000 0.465 107 G N 0.923 109.776 108.800 0.089 0.000 2.432 107 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 107 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 107 G C 1.835 176.798 174.900 0.106 0.000 1.135 107 G CA 0.134 45.295 45.100 0.100 0.000 0.767 107 G HN 0.223 nan 8.290 nan 0.000 0.550 108 L N -1.129 120.124 121.223 0.050 0.000 2.093 108 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 108 L C 2.606 179.560 176.870 0.139 0.000 1.085 108 L CA 0.781 55.665 54.840 0.073 0.000 0.755 108 L CB -0.366 41.620 42.059 -0.122 0.000 0.904 108 L HN 0.243 nan 8.230 nan 0.000 0.435 109 Y N -0.071 120.321 120.300 0.152 0.000 2.242 109 Y HA -0.261 4.289 4.550 0.000 0.000 0.291 109 Y C 2.712 178.670 175.900 0.097 0.000 1.137 109 Y CA 1.107 59.287 58.100 0.135 0.000 1.181 109 Y CB -0.072 38.443 38.460 0.091 0.000 0.989 109 Y HN 0.086 nan 8.280 nan 0.000 0.527 110 K N 0.552 121.089 120.400 0.228 0.000 2.209 110 K HA -0.215 4.105 4.320 -0.000 0.000 0.204 110 K C 2.050 178.700 176.600 0.083 0.000 1.048 110 K CA 1.194 57.563 56.287 0.137 0.000 0.940 110 K CB -0.193 32.375 32.500 0.112 0.000 0.729 110 K HN 0.308 nan 8.250 nan 0.000 0.451 111 M N -0.890 118.752 119.600 0.070 0.000 2.476 111 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 111 M C 0.720 176.922 176.300 -0.164 0.000 1.079 111 M CA 1.576 56.849 55.300 -0.044 0.000 1.104 111 M CB 0.360 32.937 32.600 -0.037 0.000 1.409 111 M HN 0.505 nan 8.290 nan 0.000 0.467 112 G N -0.617 108.143 108.800 -0.067 0.000 2.192 112 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.193 112 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.193 112 G C -0.073 174.788 174.900 -0.065 0.000 0.999 112 G CA -0.652 44.407 45.100 -0.070 0.000 0.659 112 G HN 0.374 nan 8.290 nan 0.000 0.503 113 F N 1.288 121.278 119.950 0.067 0.000 2.529 113 F HA 0.437 4.964 4.527 -0.000 0.000 0.365 113 F C 1.883 177.808 175.800 0.209 0.000 1.102 113 F CA 0.863 58.892 58.000 0.047 0.000 1.271 113 F CB 1.333 40.271 39.000 -0.103 0.000 1.120 113 F HN 0.018 nan 8.300 nan 0.000 0.579 114 G N 3.321 112.397 108.800 0.459 0.000 2.484 114 G HA2 0.032 3.992 3.960 -0.000 0.000 0.218 114 G HA3 0.032 3.992 3.960 -0.000 0.000 0.218 114 G C -0.218 175.130 174.900 0.747 0.000 1.130 114 G CA 0.298 45.727 45.100 0.547 0.000 0.784 114 G HN 0.609 nan 8.290 nan 0.000 0.543 115 F N -2.734 117.489 119.950 0.455 0.000 2.703 115 F HA 0.694 5.221 4.527 0.000 0.000 0.308 115 F C -1.447 174.471 175.800 0.196 0.000 1.126 115 F CA -1.624 56.636 58.000 0.433 0.000 0.959 115 F CB 1.399 40.728 39.000 0.550 0.000 1.297 115 F HN -0.158 nan 8.300 nan 0.000 0.441 116 V N 1.332 121.308 119.914 0.102 0.000 2.604 116 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 116 V C -1.009 175.023 176.094 -0.103 0.000 1.043 116 V CA -0.604 61.544 62.300 -0.253 0.000 0.888 116 V CB 1.782 33.294 31.823 -0.518 0.000 0.995 116 V HN 0.883 nan 8.190 nan 0.000 0.429 117 E N 4.313 124.411 120.200 -0.169 0.000 2.191 117 E HA 0.603 4.953 4.350 -0.000 0.000 0.263 117 E C -0.907 175.602 176.600 -0.151 0.000 0.881 117 E CA -0.609 55.729 56.400 -0.102 0.000 0.757 117 E CB 1.647 31.379 29.700 0.054 0.000 1.147 117 E HN 0.750 nan 8.360 nan 0.000 0.414 118 I N 1.150 121.630 120.570 -0.151 0.000 2.924 118 I HA 0.937 5.107 4.170 -0.000 0.000 0.316 118 I C 0.523 176.558 176.117 -0.138 0.000 1.014 118 I CA -0.197 61.009 61.300 -0.157 0.000 1.106 118 I CB 1.678 39.591 38.000 -0.146 0.000 1.311 118 I HN 0.730 nan 8.210 nan 0.000 0.502 119 G N 2.145 110.842 108.800 -0.170 0.000 2.422 119 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.607 119 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.607 119 G C -0.747 174.068 174.900 -0.142 0.000 1.270 119 G CA -0.441 44.565 45.100 -0.156 0.000 0.992 119 G HN 0.866 nan 8.290 nan 0.000 0.499 120 S N -1.066 114.573 115.700 -0.103 0.000 2.576 120 S HA 0.502 4.972 4.470 -0.000 0.000 0.276 120 S C 0.486 174.929 174.600 -0.262 0.000 1.339 120 S CA -0.156 57.925 58.200 -0.199 0.000 1.039 120 S CB 1.412 64.394 63.200 -0.364 0.000 0.902 120 S HN 1.182 nan 8.310 nan 0.000 0.516 121 V N 3.100 122.871 119.914 -0.238 0.000 2.459 121 V HA 0.512 4.632 4.120 -0.000 0.000 0.295 121 V C 0.535 176.488 176.094 -0.235 0.000 1.029 121 V CA -0.880 61.314 62.300 -0.177 0.000 0.874 121 V CB 1.540 33.302 31.823 -0.102 0.000 0.985 121 V HN 1.024 nan 8.190 nan 0.000 0.438 122 T N 2.338 116.774 114.554 -0.196 0.000 2.943 122 T HA 0.467 4.817 4.350 -0.000 0.000 0.284 122 T C -2.029 172.604 174.700 -0.113 0.000 1.015 122 T CA -2.058 59.924 62.100 -0.197 0.000 1.042 122 T CB 2.128 70.908 68.868 -0.146 0.000 1.055 122 T HN 0.338 nan 8.240 nan 0.000 0.500 123 P HA -0.066 nan 4.420 nan 0.000 0.212 123 P C 0.299 177.575 177.300 -0.040 0.000 1.178 123 P CA 1.325 64.381 63.100 -0.074 0.000 0.915 123 P CB 0.172 31.824 31.700 -0.080 0.000 0.788 124 K N -1.097 119.285 120.400 -0.031 0.000 2.118 124 K HA 0.405 4.725 4.320 -0.000 0.000 0.254 124 K C -2.491 174.110 176.600 0.001 0.000 0.961 124 K CA -2.713 53.567 56.287 -0.011 0.000 0.876 124 K CB -0.248 32.248 32.500 -0.008 0.000 1.077 124 K HN -0.130 nan 8.250 nan 0.000 0.440 125 P HA 0.053 nan 4.420 nan 0.000 0.271 125 P C -0.966 176.353 177.300 0.032 0.000 1.218 125 P CA 0.011 63.127 63.100 0.025 0.000 0.780 125 P CB 0.469 32.173 31.700 0.006 0.000 0.901 126 Q N -0.059 119.775 119.800 0.057 0.000 2.391 126 Q HA 0.355 4.695 4.340 -0.000 0.000 0.279 126 Q C -0.171 175.883 176.000 0.091 0.000 1.028 126 Q CA -0.744 55.099 55.803 0.067 0.000 0.836 126 Q CB 1.522 30.306 28.738 0.076 0.000 1.414 126 Q HN 0.257 nan 8.270 nan 0.000 0.397 127 E N 1.164 121.412 120.200 0.080 0.000 2.158 127 E HA 0.103 4.453 4.350 -0.000 0.000 0.191 127 E C 0.676 177.348 176.600 0.120 0.000 0.982 127 E CA 1.017 57.471 56.400 0.090 0.000 0.823 127 E CB 0.049 29.786 29.700 0.061 0.000 0.766 127 E HN 0.869 nan 8.360 nan 0.000 0.468 128 G N 1.265 110.136 108.800 0.119 0.000 2.660 128 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 128 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 128 G C -0.514 174.436 174.900 0.083 0.000 1.345 128 G CA -0.480 44.700 45.100 0.134 0.000 0.877 128 G HN 0.106 nan 8.290 nan 0.000 0.549 129 N N 1.951 120.689 118.700 0.062 0.000 2.424 129 N HA 0.507 5.247 4.740 -0.000 0.000 0.257 129 N C -1.854 173.657 175.510 0.002 0.000 1.250 129 N CA -0.480 52.582 53.050 0.020 0.000 0.946 129 N CB 0.486 38.972 38.487 -0.002 0.000 1.175 129 N HN 0.554 nan 8.380 nan 0.000 0.477 130 P HA 0.155 nan 4.420 nan 0.000 0.272 130 P C -0.464 176.812 177.300 -0.040 0.000 1.230 130 P CA -0.009 63.085 63.100 -0.010 0.000 0.788 130 P CB 1.076 32.776 31.700 0.000 0.000 0.949 131 R N 1.518 121.989 120.500 -0.047 0.000 2.500 131 R HA 0.458 4.798 4.340 -0.000 0.000 0.277 131 R C -1.493 174.777 176.300 -0.050 0.000 1.026 131 R CA -1.527 54.520 56.100 -0.088 0.000 1.058 131 R CB -0.209 30.041 30.300 -0.083 0.000 1.078 131 R HN 0.513 nan 8.270 nan 0.000 0.509 132 P HA 0.150 nan 4.420 nan 0.000 0.275 132 P C -0.646 176.483 177.300 -0.286 0.000 1.228 132 P CA -0.358 62.614 63.100 -0.214 0.000 0.786 132 P CB 0.872 32.457 31.700 -0.192 0.000 0.927 133 R N 0.195 120.358 120.500 -0.562 0.000 2.549 133 R HA 0.493 4.833 4.340 -0.000 0.000 0.399 133 R C -0.543 175.299 176.300 -0.764 0.000 0.964 133 R CA -0.455 55.333 56.100 -0.519 0.000 1.173 133 R CB 0.280 30.312 30.300 -0.447 0.000 1.535 133 R HN 0.258 nan 8.270 nan 0.000 0.551 134 V N 1.246 120.483 119.914 -1.128 0.000 2.851 134 V HA 0.678 4.798 4.120 -0.000 0.000 0.307 134 V C -2.069 173.384 176.094 -1.068 0.000 1.129 134 V CA -0.761 61.062 62.300 -0.795 0.000 0.932 134 V CB 2.102 33.630 31.823 -0.492 0.000 1.024 134 V HN 0.200 nan 8.190 nan 0.000 0.426 135 F N 4.582 124.465 119.950 -0.111 0.000 2.591 135 F HA 0.687 5.213 4.527 -0.000 0.000 0.309 135 F C 0.192 175.949 175.800 -0.072 0.000 1.098 135 F CA -0.782 57.168 58.000 -0.082 0.000 0.937 135 F CB 2.074 41.034 39.000 -0.066 0.000 1.250 135 F HN 0.287 nan 8.300 nan 0.000 0.447 136 R N 1.880 122.439 120.500 0.100 0.000 2.404 136 R HA 0.671 5.011 4.340 -0.000 0.000 0.291 136 R C -1.332 175.039 176.300 0.119 0.000 1.025 136 R CA -0.858 55.275 56.100 0.055 0.000 0.991 136 R CB 1.049 31.339 30.300 -0.017 0.000 1.053 136 R HN 0.434 nan 8.270 nan 0.000 0.479 137 L N 5.166 126.487 121.223 0.164 0.000 2.556 137 L HA 0.292 4.632 4.340 -0.000 0.000 0.243 137 L C -1.968 174.993 176.870 0.151 0.000 1.331 137 L CA -1.692 53.221 54.840 0.121 0.000 0.927 137 L CB 1.423 43.530 42.059 0.081 0.000 1.219 137 L HN 0.414 nan 8.230 nan 0.000 0.490 138 P HA -0.208 nan 4.420 nan 0.000 0.216 138 P C 0.980 178.267 177.300 -0.022 0.000 1.157 138 P CA 1.334 64.513 63.100 0.133 0.000 0.880 138 P CB 0.420 32.190 31.700 0.116 0.000 0.791 139 E N -0.925 119.274 120.200 -0.002 0.000 2.333 139 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 139 E C 1.013 177.586 176.600 -0.046 0.000 1.007 139 E CA 1.003 57.390 56.400 -0.022 0.000 0.845 139 E CB -0.579 29.117 29.700 -0.006 0.000 0.766 139 E HN 0.403 nan 8.360 nan 0.000 0.507 140 D N -0.514 119.853 120.400 -0.056 0.000 2.433 140 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 140 D C -0.197 176.023 176.300 -0.134 0.000 1.114 140 D CA 0.015 53.978 54.000 -0.062 0.000 0.837 140 D CB 0.421 41.208 40.800 -0.021 0.000 0.984 140 D HN 0.051 nan 8.370 nan 0.000 0.505 141 Q N -0.108 119.506 119.800 -0.311 0.000 2.453 141 Q HA -0.184 4.156 4.340 -0.000 0.000 0.294 141 Q C -0.368 175.458 176.000 -0.289 0.000 1.295 141 Q CA 0.581 55.942 55.803 -0.738 0.000 0.853 141 Q CB -1.267 27.192 28.738 -0.465 0.000 1.193 141 Q HN 0.378 nan 8.270 nan 0.000 0.461 142 A N -0.779 122.064 122.820 0.038 0.000 2.530 142 A HA 0.936 5.256 4.320 -0.000 0.000 0.288 142 A C -0.791 176.936 177.584 0.239 0.000 1.172 142 A CA -0.460 51.676 52.037 0.165 0.000 0.733 142 A CB 2.124 21.161 19.000 0.060 0.000 1.320 142 A HN 0.121 nan 8.150 nan 0.000 0.419 143 V N 0.234 120.213 119.914 0.108 0.000 3.049 143 V HA 0.533 4.653 4.120 -0.000 0.000 0.309 143 V C -1.060 175.054 176.094 0.033 0.000 1.148 143 V CA -0.265 62.058 62.300 0.037 0.000 0.990 143 V CB 2.014 33.786 31.823 -0.086 0.000 1.039 143 V HN 0.738 nan 8.190 nan 0.000 0.430 144 I N 3.495 124.109 120.570 0.074 0.000 2.498 144 I HA 0.509 4.678 4.170 -0.000 0.000 0.290 144 I C -0.829 175.366 176.117 0.131 0.000 1.032 144 I CA -0.434 60.924 61.300 0.096 0.000 1.073 144 I CB 2.144 40.209 38.000 0.108 0.000 1.251 144 I HN 0.928 nan 8.210 nan 0.000 0.426 145 N N 4.783 123.526 118.700 0.072 0.000 2.242 145 N HA 0.642 5.382 4.740 -0.000 0.000 0.292 145 N C -0.811 174.723 175.510 0.041 0.000 1.125 145 N CA -1.054 52.016 53.050 0.034 0.000 0.783 145 N CB 1.644 40.173 38.487 0.070 0.000 1.558 145 N HN 0.591 nan 8.380 nan 0.000 0.472 146 R N 0.766 121.255 120.500 -0.019 0.000 2.647 146 R HA 0.256 4.596 4.340 -0.000 0.000 0.295 146 R C -0.625 175.651 176.300 -0.040 0.000 1.267 146 R CA -0.643 55.453 56.100 -0.006 0.000 1.386 146 R CB -0.923 29.389 30.300 0.020 0.000 1.309 146 R HN 0.500 nan 8.270 nan 0.000 0.692 147 Y N 1.601 121.879 120.300 -0.037 0.000 2.165 147 Y HA -0.103 4.447 4.550 -0.000 0.000 0.286 147 Y C 1.964 177.863 175.900 -0.002 0.000 1.155 147 Y CA 2.250 60.338 58.100 -0.020 0.000 1.164 147 Y CB 0.111 38.567 38.460 -0.007 0.000 0.978 147 Y HN 0.712 nan 8.280 nan 0.000 0.513 148 G N -0.898 107.969 108.800 0.110 0.000 2.212 148 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.255 148 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.255 148 G C 0.204 175.193 174.900 0.150 0.000 1.062 148 G CA -0.109 45.003 45.100 0.020 0.000 0.815 148 G HN 0.519 nan 8.290 nan 0.000 0.497 149 F N -1.138 118.870 119.950 0.097 0.000 3.039 149 F HA -0.252 4.275 4.527 -0.000 0.000 0.287 149 F C 1.109 176.954 175.800 0.076 0.000 0.956 149 F CA 0.267 58.304 58.000 0.061 0.000 0.971 149 F CB -1.425 37.601 39.000 0.043 0.000 0.943 149 F HN 0.697 nan 8.300 nan 0.000 0.766 150 N N 1.456 120.326 118.700 0.284 0.000 2.468 150 N HA 0.259 4.999 4.740 -0.000 0.000 0.265 150 N C -0.334 175.322 175.510 0.244 0.000 1.199 150 N CA 0.375 53.567 53.050 0.238 0.000 0.928 150 N CB 1.988 40.633 38.487 0.262 0.000 1.059 150 N HN 0.259 nan 8.380 nan 0.000 0.467 151 S N 0.961 116.790 115.700 0.215 0.000 2.536 151 S HA 0.228 4.697 4.470 -0.000 0.000 0.271 151 S C 0.138 174.832 174.600 0.157 0.000 1.134 151 S CA -0.747 57.581 58.200 0.215 0.000 0.897 151 S CB 0.759 64.008 63.200 0.081 0.000 1.094 151 S HN 0.640 nan 8.310 nan 0.000 0.473 152 H N 2.377 121.413 119.070 -0.057 0.000 2.546 152 H HA 0.262 4.818 4.556 -0.000 0.000 0.277 152 H C 1.306 176.605 175.328 -0.049 0.000 1.004 152 H CA 0.305 56.262 56.048 -0.151 0.000 1.231 152 H CB 0.201 29.827 29.762 -0.227 0.000 1.382 152 H HN 1.014 nan 8.280 nan 0.000 0.580 153 G N -0.188 108.674 108.800 0.104 0.000 2.699 153 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.686 153 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.686 153 G C 0.392 175.310 174.900 0.030 0.000 1.301 153 G CA -0.343 44.781 45.100 0.040 0.000 0.816 153 G HN 0.168 nan 8.290 nan 0.000 0.595 154 L N 0.620 121.841 121.223 -0.005 0.000 2.012 154 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 154 L C 3.203 180.066 176.870 -0.012 0.000 1.073 154 L CA 2.400 57.228 54.840 -0.019 0.000 0.748 154 L CB -0.708 41.329 42.059 -0.037 0.000 0.891 154 L HN 0.771 nan 8.230 nan 0.000 0.431 155 S N -0.371 115.335 115.700 0.010 0.000 2.353 155 S HA -0.175 4.295 4.470 -0.000 0.000 0.222 155 S C 1.980 176.657 174.600 0.127 0.000 1.035 155 S CA 1.615 59.843 58.200 0.047 0.000 1.025 155 S CB -0.211 63.044 63.200 0.092 0.000 0.902 155 S HN 0.183 nan 8.310 nan 0.000 0.440 156 V N 1.449 121.431 119.914 0.113 0.000 2.295 156 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 156 V C 2.505 178.670 176.094 0.119 0.000 1.049 156 V CA 1.914 64.290 62.300 0.127 0.000 1.024 156 V CB -0.723 31.148 31.823 0.080 0.000 0.648 156 V HN 0.453 nan 8.190 nan 0.000 0.447 157 V N -0.052 119.911 119.914 0.082 0.000 2.427 157 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 157 V C 2.456 178.551 176.094 0.003 0.000 1.051 157 V CA 2.169 64.499 62.300 0.051 0.000 1.048 157 V CB -0.619 31.219 31.823 0.025 0.000 0.666 157 V HN 0.692 nan 8.190 nan 0.000 0.456 158 E N 0.191 120.359 120.200 -0.053 0.000 2.038 158 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 158 E C 2.130 178.626 176.600 -0.174 0.000 1.000 158 E CA 2.189 58.497 56.400 -0.155 0.000 0.803 158 E CB -0.196 29.337 29.700 -0.279 0.000 0.750 158 E HN 0.796 nan 8.360 nan 0.000 0.448 159 H N -0.500 118.571 119.070 0.001 0.000 2.423 159 H HA -0.008 4.548 4.556 -0.000 0.000 0.297 159 H C 2.280 177.612 175.328 0.007 0.000 1.075 159 H CA 1.526 57.574 56.048 0.001 0.000 1.342 159 H CB -0.025 29.735 29.762 -0.004 0.000 1.395 159 H HN 0.075 nan 8.280 nan 0.000 0.530 160 R N 0.649 121.217 120.500 0.113 0.000 2.081 160 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 160 R C 1.786 178.114 176.300 0.047 0.000 1.131 160 R CA 1.133 57.278 56.100 0.076 0.000 0.960 160 R CB -0.128 30.216 30.300 0.074 0.000 0.856 160 R HN 0.305 nan 8.270 nan 0.000 0.436 161 L N -0.240 120.998 121.223 0.024 0.000 2.109 161 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 161 L C 2.557 179.437 176.870 0.017 0.000 1.086 161 L CA 1.038 55.886 54.840 0.013 0.000 0.760 161 L CB -0.344 41.710 42.059 -0.007 0.000 0.910 161 L HN 0.194 nan 8.230 nan 0.000 0.437 162 R N 0.202 120.709 120.500 0.011 0.000 2.120 162 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 162 R C 2.326 178.648 176.300 0.036 0.000 1.123 162 R CA 1.191 57.301 56.100 0.017 0.000 0.975 162 R CB -0.367 29.938 30.300 0.008 0.000 0.866 162 R HN 0.319 nan 8.270 nan 0.000 0.446 163 A N 1.668 124.516 122.820 0.046 0.000 2.125 163 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 163 A C 1.591 179.197 177.584 0.035 0.000 1.156 163 A CA 1.214 53.276 52.037 0.043 0.000 0.671 163 A CB -0.222 18.806 19.000 0.045 0.000 0.794 163 A HN 0.421 nan 8.150 nan 0.000 0.459 164 R N -1.228 119.293 120.500 0.035 0.000 2.616 164 R HA 0.299 4.638 4.340 -0.000 0.000 0.427 164 R C 1.178 177.498 176.300 0.033 0.000 1.030 164 R CA 0.317 56.438 56.100 0.035 0.000 1.133 164 R CB -0.577 29.748 30.300 0.043 0.000 1.444 164 R HN 0.427 nan 8.270 nan 0.000 0.578 165 Q N 1.159 120.978 119.800 0.032 0.000 2.061 165 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 165 Q C 1.299 177.317 176.000 0.029 0.000 0.984 165 Q CA 1.849 57.672 55.803 0.034 0.000 0.846 165 Q CB 0.195 28.958 28.738 0.042 0.000 0.902 165 Q HN 0.346 nan 8.270 nan 0.000 0.421 166 Q N 0.315 120.130 119.800 0.026 0.000 2.172 166 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 166 Q C 1.752 177.756 176.000 0.006 0.000 0.964 166 Q CA 1.182 56.995 55.803 0.016 0.000 0.855 166 Q CB -0.202 28.546 28.738 0.016 0.000 0.918 166 Q HN 0.388 nan 8.270 nan 0.000 0.444 167 K N 0.683 121.090 120.400 0.011 0.000 2.057 167 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 167 K C 2.013 178.608 176.600 -0.007 0.000 1.049 167 K CA 1.404 57.694 56.287 0.005 0.000 0.931 167 K CB 0.191 32.703 32.500 0.020 0.000 0.714 167 K HN -0.032 nan 8.250 nan 0.000 0.440 168 Q N 0.600 120.404 119.800 0.006 0.000 2.119 168 Q HA -0.032 4.307 4.340 -0.000 0.000 0.201 168 Q C 1.718 177.695 176.000 -0.037 0.000 0.972 168 Q CA 1.782 57.582 55.803 -0.004 0.000 0.847 168 Q CB -0.320 28.433 28.738 0.026 0.000 0.903 168 Q HN 0.392 nan 8.270 nan 0.000 0.433 169 A N 0.719 123.525 122.820 -0.023 0.000 1.908 169 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 169 A C 1.987 179.545 177.584 -0.043 0.000 1.181 169 A CA 1.897 53.916 52.037 -0.030 0.000 0.627 169 A CB -0.480 18.510 19.000 -0.017 0.000 0.818 169 A HN 0.410 nan 8.150 nan 0.000 0.445 170 K N -0.616 119.758 120.400 -0.043 0.000 2.103 170 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 170 K C 1.905 178.454 176.600 -0.085 0.000 1.052 170 K CA 1.117 57.373 56.287 -0.051 0.000 0.945 170 K CB -0.340 32.137 32.500 -0.039 0.000 0.722 170 K HN 0.457 nan 8.250 nan 0.000 0.443 171 L N 0.683 121.834 121.223 -0.120 0.000 2.017 171 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 171 L C 2.450 179.192 176.870 -0.214 0.000 1.073 171 L CA 1.394 56.103 54.840 -0.217 0.000 0.745 171 L CB -0.726 41.130 42.059 -0.337 0.000 0.894 171 L HN 0.207 nan 8.230 nan 0.000 0.432 172 T N -1.090 113.362 114.554 -0.170 0.000 2.684 172 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 172 T C 1.762 176.400 174.700 -0.103 0.000 1.036 172 T CA 1.688 63.687 62.100 -0.168 0.000 1.148 172 T CB -0.177 68.599 68.868 -0.153 0.000 0.863 172 T HN 0.250 nan 8.240 nan 0.000 0.436 173 E N 1.362 121.523 120.200 -0.064 0.000 2.204 173 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 173 E C 1.493 178.065 176.600 -0.046 0.000 0.990 173 E CA 1.020 57.400 56.400 -0.034 0.000 0.821 173 E CB -0.330 29.352 29.700 -0.029 0.000 0.750 173 E HN 0.343 nan 8.360 nan 0.000 0.477 174 D N -1.250 119.106 120.400 -0.073 0.000 2.328 174 D HA 0.125 4.765 4.640 -0.000 0.000 0.226 174 D C 0.616 176.874 176.300 -0.070 0.000 1.066 174 D CA 0.820 54.779 54.000 -0.067 0.000 0.861 174 D CB -0.018 40.735 40.800 -0.079 0.000 0.912 174 D HN 0.291 nan 8.370 nan 0.000 0.521 175 G N 0.365 109.111 108.800 -0.090 0.000 2.130 175 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 175 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 175 G C 0.099 174.927 174.900 -0.119 0.000 0.999 175 G CA 0.060 45.106 45.100 -0.090 0.000 0.686 175 G HN 0.328 nan 8.290 nan 0.000 0.515 176 L N 0.731 121.838 121.223 -0.194 0.000 2.495 176 L HA 0.337 4.677 4.340 -0.000 0.000 0.248 176 L C -2.364 174.398 176.870 -0.179 0.000 1.229 176 L CA -2.001 52.723 54.840 -0.193 0.000 0.942 176 L CB 1.763 43.508 42.059 -0.524 0.000 1.242 176 L HN -0.105 nan 8.230 nan 0.000 0.484 177 P HA 0.137 nan 4.420 nan 0.000 0.272 177 P C -0.919 176.465 177.300 0.139 0.000 1.230 177 P CA -0.332 62.654 63.100 -0.189 0.000 0.788 177 P CB 0.906 32.280 31.700 -0.543 0.000 0.949 178 L N 1.388 122.621 121.223 0.017 0.000 2.356 178 L HA 0.772 5.112 4.340 -0.000 0.000 0.277 178 L C -0.223 176.487 176.870 -0.266 0.000 0.996 178 L CA -0.162 54.680 54.840 0.003 0.000 0.822 178 L CB 1.227 43.293 42.059 0.011 0.000 1.256 178 L HN 0.459 nan 8.230 nan 0.000 0.413 179 G N 3.789 112.310 108.800 -0.465 0.000 2.420 179 G HA2 0.638 4.598 3.960 -0.000 0.000 0.331 179 G HA3 0.638 4.598 3.960 -0.000 0.000 0.331 179 G C -1.693 172.899 174.900 -0.513 0.000 1.168 179 G CA -0.549 43.845 45.100 -1.176 0.000 0.936 179 G HN 0.498 nan 8.290 nan 0.000 0.479 180 V N 2.471 122.153 119.914 -0.388 0.000 2.483 180 V HA 0.329 4.449 4.120 -0.000 0.000 0.297 180 V C -0.465 175.584 176.094 -0.075 0.000 1.027 180 V CA -1.251 60.948 62.300 -0.169 0.000 0.855 180 V CB 1.589 33.344 31.823 -0.113 0.000 0.995 180 V HN 0.746 nan 8.190 nan 0.000 0.424 181 N N 5.319 123.991 118.700 -0.046 0.000 2.419 181 N HA 0.437 5.177 4.740 -0.000 0.000 0.264 181 N C -1.017 174.481 175.510 -0.021 0.000 1.031 181 N CA -0.276 52.781 53.050 0.011 0.000 0.951 181 N CB 1.223 39.723 38.487 0.022 0.000 1.101 181 N HN 0.603 nan 8.380 nan 0.000 0.488 182 L N 2.310 123.555 121.223 0.037 0.000 2.295 182 L HA 0.591 4.931 4.340 -0.000 0.000 0.285 182 L C 1.160 178.043 176.870 0.022 0.000 1.035 182 L CA -0.788 54.066 54.840 0.023 0.000 0.806 182 L CB 1.678 43.821 42.059 0.140 0.000 1.214 182 L HN 0.485 nan 8.230 nan 0.000 0.426 183 G N 2.168 110.798 108.800 -0.282 0.000 3.108 183 G HA2 0.704 4.664 3.960 -0.000 0.000 0.268 183 G HA3 0.704 4.664 3.960 -0.000 0.000 0.268 183 G C -1.443 173.123 174.900 -0.558 0.000 1.361 183 G CA -0.587 44.191 45.100 -0.536 0.000 1.047 183 G HN 0.614 nan 8.290 nan 0.000 0.540 184 K N -0.863 119.306 120.400 -0.384 0.000 2.385 184 K HA 0.466 4.786 4.320 -0.000 0.000 0.248 184 K C -0.880 175.696 176.600 -0.041 0.000 0.955 184 K CA -0.893 55.217 56.287 -0.295 0.000 0.816 184 K CB 2.069 34.387 32.500 -0.303 0.000 1.250 184 K HN 0.386 nan 8.250 nan 0.000 0.434 185 N N 1.187 119.857 118.700 -0.049 0.000 2.508 185 N HA -0.006 4.734 4.740 -0.000 0.000 0.264 185 N C 0.587 176.137 175.510 0.067 0.000 1.216 185 N CA -0.282 52.783 53.050 0.026 0.000 0.943 185 N CB 1.156 39.641 38.487 -0.003 0.000 1.113 185 N HN 0.674 nan 8.380 nan 0.000 0.447 186 K N 0.321 120.775 120.400 0.089 0.000 2.063 186 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 186 K C 1.125 177.754 176.600 0.047 0.000 1.048 186 K CA 1.570 57.902 56.287 0.076 0.000 0.928 186 K CB -0.082 32.460 32.500 0.069 0.000 0.713 186 K HN 0.763 nan 8.250 nan 0.000 0.442 187 T N -1.610 112.965 114.554 0.036 0.000 3.188 187 T HA 0.113 4.463 4.350 -0.000 0.000 0.250 187 T C 0.520 175.231 174.700 0.019 0.000 1.077 187 T CA -0.383 61.732 62.100 0.025 0.000 0.967 187 T CB 0.283 69.163 68.868 0.020 0.000 1.006 187 T HN 0.058 nan 8.240 nan 0.000 0.552 188 S N 0.407 116.117 115.700 0.017 0.000 2.562 188 S HA 0.238 4.708 4.470 -0.000 0.000 0.281 188 S C 0.960 175.570 174.600 0.016 0.000 1.333 188 S CA -0.636 57.568 58.200 0.007 0.000 1.052 188 S CB 0.612 63.806 63.200 -0.010 0.000 0.884 188 S HN 0.268 nan 8.310 nan 0.000 0.506 189 V N 3.558 123.480 119.914 0.014 0.000 3.578 189 V HA 0.311 4.430 4.120 -0.000 0.000 0.290 189 V C 0.235 176.343 176.094 0.023 0.000 1.376 189 V CA 0.134 62.445 62.300 0.019 0.000 1.083 189 V CB -0.100 31.732 31.823 0.015 0.000 0.911 189 V HN 0.830 nan 8.190 nan 0.000 0.433 190 D N 0.052 120.466 120.400 0.022 0.000 2.381 190 D HA 0.439 5.079 4.640 -0.000 0.000 0.245 190 D C 0.905 177.229 176.300 0.038 0.000 1.297 190 D CA 0.438 54.457 54.000 0.032 0.000 0.931 190 D CB 1.594 42.410 40.800 0.025 0.000 1.334 190 D HN 0.049 nan 8.370 nan 0.000 0.535 191 A N 2.686 125.547 122.820 0.068 0.000 1.892 191 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 191 A C 2.182 179.878 177.584 0.188 0.000 1.188 191 A CA 2.217 54.318 52.037 0.108 0.000 0.631 191 A CB -0.489 18.625 19.000 0.191 0.000 0.822 191 A HN 0.580 nan 8.150 nan 0.000 0.447 192 A N -0.547 122.387 122.820 0.191 0.000 1.908 192 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 192 A C 1.985 179.662 177.584 0.155 0.000 1.181 192 A CA 2.288 54.450 52.037 0.209 0.000 0.627 192 A CB -0.505 18.566 19.000 0.118 0.000 0.818 192 A HN 0.563 nan 8.150 nan 0.000 0.445 193 E N 0.341 120.589 120.200 0.080 0.000 2.150 193 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 193 E C 1.346 177.952 176.600 0.009 0.000 0.985 193 E CA 1.503 57.929 56.400 0.043 0.000 0.814 193 E CB -0.328 29.385 29.700 0.023 0.000 0.752 193 E HN 0.547 nan 8.360 nan 0.000 0.466 194 D N -0.923 119.449 120.400 -0.046 0.000 2.097 194 D HA -0.166 4.473 4.640 -0.000 0.000 0.195 194 D C 1.541 177.729 176.300 -0.186 0.000 0.989 194 D CA 1.239 55.142 54.000 -0.162 0.000 0.827 194 D CB -0.311 40.314 40.800 -0.293 0.000 0.966 194 D HN 0.351 nan 8.370 nan 0.000 0.456 195 Y N 0.675 120.978 120.300 0.004 0.000 2.242 195 Y HA -0.071 4.479 4.550 -0.000 0.000 0.291 195 Y C 2.424 178.325 175.900 0.002 0.000 1.137 195 Y CA 0.906 59.007 58.100 0.002 0.000 1.181 195 Y CB -0.320 38.149 38.460 0.014 0.000 0.989 195 Y HN -0.069 nan 8.280 nan 0.000 0.527 196 A N 0.425 123.332 122.820 0.145 0.000 1.902 196 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 196 A C 2.005 179.615 177.584 0.044 0.000 1.181 196 A CA 1.931 54.018 52.037 0.085 0.000 0.623 196 A CB -0.596 18.443 19.000 0.065 0.000 0.818 196 A HN 0.526 nan 8.150 nan 0.000 0.443 197 E N -0.729 119.482 120.200 0.018 0.000 2.077 197 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 197 E C 2.143 178.738 176.600 -0.008 0.000 0.989 197 E CA 0.791 57.188 56.400 -0.005 0.000 0.800 197 E CB -0.393 29.292 29.700 -0.025 0.000 0.746 197 E HN 0.615 nan 8.360 nan 0.000 0.452 198 G N 0.974 109.769 108.800 -0.008 0.000 2.422 198 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 198 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 198 G C 1.746 176.656 174.900 0.016 0.000 1.146 198 G CA 0.673 45.769 45.100 -0.006 0.000 0.769 198 G HN 0.113 nan 8.290 nan 0.000 0.547 199 V N 0.629 120.569 119.914 0.043 0.000 2.295 199 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 199 V C 2.934 179.041 176.094 0.023 0.000 1.049 199 V CA 1.990 64.316 62.300 0.043 0.000 1.024 199 V CB -0.452 31.405 31.823 0.057 0.000 0.648 199 V HN 0.319 nan 8.190 nan 0.000 0.447 200 R N -0.519 119.989 120.500 0.013 0.000 2.092 200 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 200 R C 2.182 178.469 176.300 -0.021 0.000 1.119 200 R CA 1.415 57.514 56.100 -0.002 0.000 0.970 200 R CB -0.421 29.877 30.300 -0.003 0.000 0.864 200 R HN 0.426 nan 8.270 nan 0.000 0.440 201 V N 0.848 120.746 119.914 -0.027 0.000 2.379 201 V HA -0.110 4.010 4.120 -0.000 0.000 0.243 201 V C 2.034 178.097 176.094 -0.053 0.000 1.035 201 V CA 1.418 63.689 62.300 -0.049 0.000 1.035 201 V CB -0.171 31.620 31.823 -0.052 0.000 0.673 201 V HN 0.255 nan 8.190 nan 0.000 0.457 202 L N -0.086 121.115 121.223 -0.035 0.000 2.556 202 L HA 0.270 4.610 4.340 -0.000 0.000 0.226 202 L C 2.476 179.339 176.870 -0.011 0.000 1.089 202 L CA 0.779 55.599 54.840 -0.033 0.000 0.864 202 L CB -0.676 41.361 42.059 -0.038 0.000 1.067 202 L HN 0.425 nan 8.230 nan 0.000 0.477 203 G N 1.947 110.751 108.800 0.006 0.000 2.469 203 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 203 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 203 G C -0.856 174.076 174.900 0.054 0.000 1.150 203 G CA 0.745 45.863 45.100 0.031 0.000 0.763 203 G HN 0.298 nan 8.290 nan 0.000 0.561 204 P HA 0.075 nan 4.420 nan 0.000 0.230 204 P C 1.235 178.640 177.300 0.174 0.000 1.158 204 P CA 0.691 63.855 63.100 0.106 0.000 0.769 204 P CB 0.028 31.679 31.700 -0.081 0.000 0.807 205 L N -2.907 118.358 121.223 0.070 0.000 2.766 205 L HA 0.360 4.700 4.340 -0.000 0.000 0.242 205 L C 0.823 177.702 176.870 0.015 0.000 1.136 205 L CA -0.350 54.520 54.840 0.050 0.000 0.933 205 L CB 0.204 42.265 42.059 0.005 0.000 1.241 205 L HN -0.168 nan 8.230 nan 0.000 0.522 206 A N -1.057 121.768 122.820 0.010 0.000 2.380 206 A HA 0.439 4.759 4.320 -0.000 0.000 0.315 206 A C 0.003 177.575 177.584 -0.019 0.000 1.101 206 A CA -0.514 51.498 52.037 -0.042 0.000 0.771 206 A CB 1.056 20.009 19.000 -0.078 0.000 1.287 206 A HN 0.009 nan 8.150 nan 0.000 0.436 207 D N -0.641 119.712 120.400 -0.079 0.000 2.213 207 D HA 0.093 4.733 4.640 -0.000 0.000 0.205 207 D C -0.225 176.175 176.300 0.167 0.000 0.961 207 D CA 2.008 55.981 54.000 -0.044 0.000 0.853 207 D CB 0.107 40.704 40.800 -0.339 0.000 0.967 207 D HN 0.631 nan 8.370 nan 0.000 0.496 208 Y N -1.336 118.997 120.300 0.054 0.000 2.544 208 Y HA 0.582 5.132 4.550 -0.000 0.000 0.342 208 Y C -1.526 174.417 175.900 0.071 0.000 1.062 208 Y CA -1.272 56.879 58.100 0.083 0.000 1.023 208 Y CB 0.910 39.435 38.460 0.109 0.000 1.308 208 Y HN -0.348 nan 8.280 nan 0.000 0.457 209 L N 3.455 124.833 121.223 0.258 0.000 2.330 209 L HA 0.809 5.149 4.340 -0.000 0.000 0.271 209 L C -1.020 175.998 176.870 0.247 0.000 1.013 209 L CA -1.525 53.408 54.840 0.156 0.000 0.816 209 L CB 2.173 44.296 42.059 0.105 0.000 1.287 209 L HN 0.620 nan 8.230 nan 0.000 0.435 210 V N 2.631 122.656 119.914 0.185 0.000 2.444 210 V HA 0.288 4.408 4.120 -0.000 0.000 0.294 210 V C -0.161 176.001 176.094 0.113 0.000 1.022 210 V CA -0.686 61.719 62.300 0.176 0.000 0.850 210 V CB 2.019 33.969 31.823 0.211 0.000 0.992 210 V HN 0.386 nan 8.190 nan 0.000 0.426 211 V N 4.354 124.298 119.914 0.050 0.000 2.339 211 V HA 0.232 4.352 4.120 -0.000 0.000 0.261 211 V C 0.446 176.529 176.094 -0.019 0.000 1.058 211 V CA -0.380 61.885 62.300 -0.058 0.000 0.897 211 V CB 0.818 32.514 31.823 -0.213 0.000 1.052 211 V HN 0.876 nan 8.190 nan 0.000 0.480 212 N N 4.825 123.593 118.700 0.114 0.000 2.482 212 N HA 0.144 4.884 4.740 -0.000 0.000 0.242 212 N C 0.297 175.938 175.510 0.218 0.000 1.100 212 N CA -0.296 52.862 53.050 0.180 0.000 0.946 212 N CB 1.305 39.946 38.487 0.257 0.000 1.227 212 N HN 0.490 nan 8.380 nan 0.000 0.508 213 V N 1.069 121.046 119.914 0.104 0.000 3.043 213 V HA 0.315 4.435 4.120 -0.000 0.000 0.357 213 V C 0.641 176.794 176.094 0.099 0.000 1.372 213 V CA 0.256 62.619 62.300 0.105 0.000 1.214 213 V CB -0.535 31.289 31.823 0.002 0.000 1.224 213 V HN 0.552 nan 8.190 nan 0.000 0.507 214 S N -1.592 114.177 115.700 0.114 0.000 2.749 214 S HA 0.288 4.758 4.470 -0.000 0.000 0.246 214 S C 0.637 175.273 174.600 0.061 0.000 1.023 214 S CA 0.304 58.549 58.200 0.076 0.000 1.012 214 S CB 0.208 63.447 63.200 0.065 0.000 0.942 214 S HN 0.567 nan 8.310 nan 0.000 0.531 215 S N 3.827 119.564 115.700 0.061 0.000 2.531 215 S HA 0.292 4.762 4.470 -0.000 0.000 0.279 215 S C -1.389 173.163 174.600 -0.081 0.000 1.305 215 S CA -1.067 57.102 58.200 -0.052 0.000 1.058 215 S CB 0.830 63.847 63.200 -0.306 0.000 0.899 215 S HN 0.306 nan 8.310 nan 0.000 0.493 216 P HA 0.125 nan 4.420 nan 0.000 0.249 216 P C -0.141 177.112 177.300 -0.078 0.000 1.229 216 P CA 0.219 63.289 63.100 -0.051 0.000 0.788 216 P CB 0.083 31.768 31.700 -0.025 0.000 1.072 217 N N -0.215 118.399 118.700 -0.143 0.000 2.273 217 N HA 0.086 4.825 4.740 -0.000 0.000 0.231 217 N C -0.290 175.103 175.510 -0.196 0.000 1.134 217 N CA 0.298 53.259 53.050 -0.148 0.000 0.856 217 N CB 0.675 39.080 38.487 -0.136 0.000 1.068 217 N HN -0.008 nan 8.380 nan 0.000 0.510 218 T N 0.596 115.034 114.554 -0.194 0.000 2.930 218 T HA 0.397 4.747 4.350 -0.000 0.000 0.313 218 T C -0.060 174.612 174.700 -0.046 0.000 1.019 218 T CA -0.625 61.390 62.100 -0.141 0.000 1.004 218 T CB 1.719 70.468 68.868 -0.198 0.000 0.987 218 T HN 0.163 nan 8.240 nan 0.000 0.456 219 A N 2.087 124.895 122.820 -0.020 0.000 2.563 219 A HA 0.454 4.774 4.320 -0.000 0.000 0.256 219 A C 1.670 179.265 177.584 0.019 0.000 1.056 219 A CA 0.822 52.859 52.037 0.000 0.000 0.775 219 A CB -0.935 18.069 19.000 0.005 0.000 0.973 219 A HN 1.740 nan 8.150 nan 0.000 0.516 220 G N 1.393 110.206 108.800 0.020 0.000 2.184 220 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 220 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 220 G C 0.835 175.768 174.900 0.054 0.000 0.975 220 G CA 0.798 45.918 45.100 0.034 0.000 0.642 220 G HN 1.501 nan 8.290 nan 0.000 0.536 221 L N 0.763 122.022 121.223 0.060 0.000 2.017 221 L HA 0.171 4.511 4.340 -0.000 0.000 0.208 221 L C 2.717 179.639 176.870 0.087 0.000 1.073 221 L CA 2.847 57.749 54.840 0.103 0.000 0.745 221 L CB -0.561 41.563 42.059 0.109 0.000 0.894 221 L HN 0.379 nan 8.230 nan 0.000 0.432 222 R N -0.581 119.951 120.500 0.053 0.000 2.241 222 R HA -0.096 4.244 4.340 -0.000 0.000 0.224 222 R C 2.273 178.595 176.300 0.036 0.000 1.101 222 R CA 1.105 57.230 56.100 0.041 0.000 0.995 222 R CB -0.508 29.807 30.300 0.025 0.000 0.870 222 R HN 0.669 nan 8.270 nan 0.000 0.463 223 S N 0.552 116.275 115.700 0.038 0.000 2.481 223 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 223 S C 1.771 176.391 174.600 0.034 0.000 0.996 223 S CA 0.599 58.818 58.200 0.032 0.000 0.942 223 S CB -0.189 63.031 63.200 0.032 0.000 0.768 223 S HN 0.272 nan 8.310 nan 0.000 0.520 224 L N 0.430 121.680 121.223 0.045 0.000 2.551 224 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 224 L C 2.501 179.378 176.870 0.011 0.000 1.153 224 L CA 0.640 55.502 54.840 0.036 0.000 0.851 224 L CB -0.502 41.590 42.059 0.055 0.000 0.959 224 L HN 0.407 nan 8.230 nan 0.000 0.451 225 Q N 0.022 119.831 119.800 0.015 0.000 2.451 225 Q HA 0.078 4.418 4.340 -0.000 0.000 0.206 225 Q C 1.195 177.199 176.000 0.006 0.000 0.947 225 Q CA -0.032 55.775 55.803 0.007 0.000 0.937 225 Q CB 0.268 29.014 28.738 0.013 0.000 1.025 225 Q HN 0.479 nan 8.270 nan 0.000 0.511 226 G N 0.526 109.331 108.800 0.009 0.000 2.491 226 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.242 226 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.242 226 G C 0.292 175.195 174.900 0.004 0.000 1.266 226 G CA -0.361 44.744 45.100 0.008 0.000 0.844 226 G HN 0.122 nan 8.290 nan 0.000 0.571 227 K N 1.397 121.799 120.400 0.003 0.000 2.001 227 K HA -0.161 4.159 4.320 -0.000 0.000 0.214 227 K C 2.789 179.390 176.600 0.002 0.000 1.050 227 K CA 1.808 58.095 56.287 0.001 0.000 0.934 227 K CB -0.282 32.218 32.500 0.001 0.000 0.718 227 K HN 0.523 nan 8.250 nan 0.000 0.443 228 A N 1.333 124.156 122.820 0.005 0.000 1.859 228 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 228 A C 1.957 179.546 177.584 0.008 0.000 1.198 228 A CA 2.096 54.137 52.037 0.006 0.000 0.629 228 A CB -0.740 18.265 19.000 0.008 0.000 0.830 228 A HN 0.521 nan 8.150 nan 0.000 0.446 229 E N -0.918 119.288 120.200 0.011 0.000 2.077 229 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 229 E C 1.982 178.586 176.600 0.006 0.000 0.989 229 E CA 1.110 57.519 56.400 0.015 0.000 0.800 229 E CB -0.274 29.439 29.700 0.022 0.000 0.746 229 E HN 0.467 nan 8.360 nan 0.000 0.452 230 L N 1.566 122.788 121.223 -0.001 0.000 2.012 230 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 230 L C 2.432 179.292 176.870 -0.016 0.000 1.073 230 L CA 1.794 56.625 54.840 -0.016 0.000 0.748 230 L CB -0.368 41.681 42.059 -0.016 0.000 0.891 230 L HN -0.051 nan 8.230 nan 0.000 0.431 231 R N -0.694 119.801 120.500 -0.008 0.000 2.083 231 R HA -0.221 4.119 4.340 -0.000 0.000 0.237 231 R C 2.582 178.880 176.300 -0.002 0.000 1.137 231 R CA 1.873 57.969 56.100 -0.006 0.000 0.951 231 R CB -0.327 29.971 30.300 -0.003 0.000 0.851 231 R HN 0.367 nan 8.270 nan 0.000 0.434 232 R N 0.356 120.858 120.500 0.003 0.000 2.073 232 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 232 R C 2.404 178.711 176.300 0.011 0.000 1.134 232 R CA 1.662 57.768 56.100 0.010 0.000 0.952 232 R CB -0.409 29.901 30.300 0.016 0.000 0.850 232 R HN 0.279 nan 8.270 nan 0.000 0.433 233 L N 1.118 122.344 121.223 0.006 0.000 1.994 233 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 233 L C 2.018 178.877 176.870 -0.018 0.000 1.071 233 L CA 1.760 56.600 54.840 0.001 0.000 0.745 233 L CB -0.459 41.583 42.059 -0.027 0.000 0.892 233 L HN 0.240 nan 8.230 nan 0.000 0.431 234 L N -1.181 120.022 121.223 -0.033 0.000 2.141 234 L HA -0.160 4.179 4.340 -0.000 0.000 0.209 234 L C 2.337 179.202 176.870 -0.009 0.000 1.094 234 L CA 1.404 56.225 54.840 -0.032 0.000 0.763 234 L CB -1.068 40.970 42.059 -0.034 0.000 0.908 234 L HN 0.307 nan 8.230 nan 0.000 0.437 235 T N -0.389 114.164 114.554 -0.002 0.000 2.746 235 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 235 T C 1.950 176.657 174.700 0.013 0.000 1.039 235 T CA 1.515 63.618 62.100 0.005 0.000 1.142 235 T CB -0.054 68.818 68.868 0.006 0.000 0.866 235 T HN 0.257 nan 8.240 nan 0.000 0.444 236 K N 0.675 121.086 120.400 0.018 0.000 2.057 236 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 236 K C 2.212 178.832 176.600 0.034 0.000 1.050 236 K CA 0.976 57.280 56.287 0.029 0.000 0.935 236 K CB -0.295 32.229 32.500 0.039 0.000 0.715 236 K HN 0.108 nan 8.250 nan 0.000 0.439 237 V N 1.795 121.728 119.914 0.032 0.000 2.295 237 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 237 V C 2.305 178.418 176.094 0.032 0.000 1.049 237 V CA 1.689 64.011 62.300 0.038 0.000 1.024 237 V CB -0.353 31.479 31.823 0.017 0.000 0.648 237 V HN 0.341 nan 8.190 nan 0.000 0.447 238 L N -0.462 120.774 121.223 0.021 0.000 2.093 238 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 238 L C 2.619 179.503 176.870 0.023 0.000 1.085 238 L CA 1.779 56.632 54.840 0.021 0.000 0.755 238 L CB -0.572 41.495 42.059 0.014 0.000 0.904 238 L HN 0.427 nan 8.230 nan 0.000 0.435 239 Q N 0.035 119.848 119.800 0.022 0.000 2.084 239 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 239 Q C 2.061 178.075 176.000 0.024 0.000 0.978 239 Q CA 1.370 57.185 55.803 0.021 0.000 0.844 239 Q CB 0.177 28.927 28.738 0.019 0.000 0.898 239 Q HN 0.364 nan 8.270 nan 0.000 0.426 240 E N 0.418 120.635 120.200 0.029 0.000 2.110 240 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 240 E C 1.933 178.553 176.600 0.033 0.000 0.988 240 E CA 0.705 57.123 56.400 0.030 0.000 0.804 240 E CB -0.304 29.417 29.700 0.036 0.000 0.745 240 E HN 0.259 nan 8.360 nan 0.000 0.458 241 R N 1.361 121.883 120.500 0.037 0.000 2.073 241 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 241 R C 1.190 177.514 176.300 0.040 0.000 1.134 241 R CA 1.397 57.523 56.100 0.043 0.000 0.952 241 R CB -0.371 29.958 30.300 0.047 0.000 0.850 241 R HN 0.054 nan 8.270 nan 0.000 0.433 242 D N -0.551 119.869 120.400 0.033 0.000 2.263 242 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 242 D C 1.473 177.790 176.300 0.028 0.000 0.971 242 D CA 1.333 55.350 54.000 0.028 0.000 0.867 242 D CB -0.375 40.438 40.800 0.022 0.000 0.929 242 D HN 0.498 nan 8.370 nan 0.000 0.492 243 G N -0.176 108.640 108.800 0.027 0.000 2.920 243 G HA2 0.081 4.041 3.960 -0.000 0.000 0.208 243 G HA3 0.081 4.041 3.960 -0.000 0.000 0.208 243 G C 0.677 175.594 174.900 0.028 0.000 1.159 243 G CA -0.136 44.979 45.100 0.024 0.000 0.784 243 G HN 0.179 nan 8.290 nan 0.000 0.535 244 L N 0.428 121.674 121.223 0.038 0.000 2.375 244 L HA 0.404 4.743 4.340 -0.000 0.000 0.271 244 L C 0.643 177.553 176.870 0.067 0.000 1.107 244 L CA -1.019 53.852 54.840 0.051 0.000 0.806 244 L CB 1.100 43.200 42.059 0.068 0.000 1.146 244 L HN 0.023 nan 8.230 nan 0.000 0.447 245 R N 1.193 121.746 120.500 0.088 0.000 2.640 245 R HA 0.004 4.344 4.340 -0.000 0.000 0.270 245 R C 1.233 177.592 176.300 0.099 0.000 1.024 245 R CA -0.438 55.722 56.100 0.100 0.000 1.085 245 R CB 0.351 30.736 30.300 0.141 0.000 0.963 245 R HN 0.483 nan 8.270 nan 0.000 0.426 246 R N 1.738 122.271 120.500 0.054 0.000 2.191 246 R HA -0.211 4.129 4.340 -0.000 0.000 0.248 246 R C 1.801 178.096 176.300 -0.008 0.000 1.127 246 R CA 2.599 58.712 56.100 0.022 0.000 0.943 246 R CB -0.886 29.419 30.300 0.007 0.000 0.891 246 R HN 0.661 nan 8.270 nan 0.000 0.439 247 V N -1.857 118.021 119.914 -0.060 0.000 3.078 247 V HA -0.066 4.054 4.120 -0.000 0.000 0.265 247 V C 1.240 177.129 176.094 -0.341 0.000 1.122 247 V CA 1.551 63.732 62.300 -0.198 0.000 1.141 247 V CB -0.639 31.016 31.823 -0.280 0.000 0.735 247 V HN 0.283 nan 8.190 nan 0.000 0.498 248 H N 0.491 119.576 119.070 0.025 0.000 2.512 248 H HA 0.427 4.983 4.556 0.000 0.000 0.276 248 H C 0.391 175.737 175.328 0.031 0.000 1.126 248 H CA -0.270 55.793 56.048 0.025 0.000 1.060 248 H CB 0.483 30.253 29.762 0.013 0.000 1.646 248 H HN 0.430 nan 8.280 nan 0.000 0.571 249 R N 3.227 123.787 120.500 0.099 0.000 2.230 249 R HA 0.203 4.543 4.340 -0.000 0.000 0.337 249 R C -2.533 173.822 176.300 0.092 0.000 1.063 249 R CA -1.427 54.724 56.100 0.086 0.000 0.935 249 R CB 0.869 31.206 30.300 0.060 0.000 1.121 249 R HN 0.091 nan 8.270 nan 0.000 0.486 250 P HA 0.217 nan 4.420 nan 0.000 0.278 250 P C -0.953 176.428 177.300 0.136 0.000 1.258 250 P CA -0.492 62.687 63.100 0.132 0.000 0.811 250 P CB 1.386 33.155 31.700 0.114 0.000 1.063 251 A N 1.250 124.180 122.820 0.184 0.000 2.332 251 A HA 0.457 4.777 4.320 -0.000 0.000 0.258 251 A C -0.242 177.436 177.584 0.156 0.000 1.087 251 A CA -0.352 51.777 52.037 0.153 0.000 0.802 251 A CB 0.110 19.213 19.000 0.171 0.000 1.042 251 A HN 0.364 nan 8.150 nan 0.000 0.489 252 V N 2.120 122.096 119.914 0.103 0.000 2.487 252 V HA 0.476 4.596 4.120 -0.000 0.000 0.298 252 V C -0.765 175.367 176.094 0.063 0.000 1.028 252 V CA -0.231 62.125 62.300 0.094 0.000 0.860 252 V CB 1.106 32.965 31.823 0.060 0.000 0.991 252 V HN 0.726 nan 8.190 nan 0.000 0.427 253 L N 4.952 126.222 121.223 0.078 0.000 2.323 253 L HA 0.737 5.076 4.340 -0.000 0.000 0.265 253 L C -0.374 176.516 176.870 0.034 0.000 1.012 253 L CA -0.637 54.222 54.840 0.033 0.000 0.820 253 L CB 2.200 44.259 42.059 -0.000 0.000 1.334 253 L HN 0.348 nan 8.230 nan 0.000 0.427 254 V N 1.070 120.990 119.914 0.010 0.000 2.459 254 V HA 0.450 4.569 4.120 -0.000 0.000 0.295 254 V C -0.234 175.873 176.094 0.021 0.000 1.029 254 V CA -0.880 61.421 62.300 0.002 0.000 0.874 254 V CB 1.661 33.472 31.823 -0.019 0.000 0.985 254 V HN 0.636 nan 8.190 nan 0.000 0.438 255 K N 5.734 126.157 120.400 0.039 0.000 2.240 255 K HA 0.655 4.975 4.320 -0.000 0.000 0.271 255 K C -0.533 176.096 176.600 0.049 0.000 1.018 255 K CA -0.490 55.831 56.287 0.057 0.000 0.874 255 K CB 0.988 33.543 32.500 0.091 0.000 1.098 255 K HN 0.784 nan 8.250 nan 0.000 0.458 256 I N 0.567 121.162 120.570 0.042 0.000 2.863 256 I HA 0.671 4.841 4.170 -0.000 0.000 0.311 256 I C -0.223 175.918 176.117 0.041 0.000 1.026 256 I CA -1.142 60.180 61.300 0.036 0.000 1.077 256 I CB 1.942 39.957 38.000 0.026 0.000 1.262 256 I HN 0.588 nan 8.210 nan 0.000 0.461 257 A N 3.953 126.794 122.820 0.036 0.000 2.287 257 A HA 0.609 4.929 4.320 -0.000 0.000 0.273 257 A C -1.881 175.720 177.584 0.029 0.000 1.091 257 A CA -1.409 50.647 52.037 0.033 0.000 0.817 257 A CB -0.233 18.784 19.000 0.027 0.000 1.069 257 A HN 0.766 nan 8.150 nan 0.000 0.492 258 P HA 0.101 nan 4.420 nan 0.000 0.261 258 P C -0.407 176.905 177.300 0.019 0.000 1.268 258 P CA 0.477 63.591 63.100 0.024 0.000 0.833 258 P CB 0.408 32.123 31.700 0.025 0.000 1.231 259 D N 0.083 120.494 120.400 0.017 0.000 2.463 259 D HA 0.173 4.813 4.640 -0.000 0.000 0.224 259 D C 0.727 177.034 176.300 0.013 0.000 1.174 259 D CA -0.052 53.956 54.000 0.013 0.000 0.829 259 D CB 0.519 41.325 40.800 0.011 0.000 0.993 259 D HN 0.238 nan 8.370 nan 0.000 0.497 260 L N 1.289 122.521 121.223 0.015 0.000 2.417 260 L HA 0.153 4.493 4.340 -0.000 0.000 0.268 260 L C 1.468 178.346 176.870 0.013 0.000 1.158 260 L CA -0.256 54.592 54.840 0.014 0.000 0.819 260 L CB 0.644 42.713 42.059 0.016 0.000 1.112 260 L HN -0.027 nan 8.230 nan 0.000 0.458 261 T N -1.574 112.987 114.554 0.011 0.000 2.788 261 T HA 0.104 4.454 4.350 -0.000 0.000 0.287 261 T C 1.163 175.870 174.700 0.011 0.000 1.007 261 T CA -0.600 61.507 62.100 0.010 0.000 1.005 261 T CB 1.170 70.043 68.868 0.009 0.000 1.012 261 T HN 0.553 nan 8.240 nan 0.000 0.530 262 S N 0.171 115.878 115.700 0.011 0.000 2.399 262 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 262 S C 2.058 176.664 174.600 0.010 0.000 1.022 262 S CA 1.358 59.565 58.200 0.012 0.000 0.983 262 S CB -0.556 62.651 63.200 0.012 0.000 0.803 262 S HN 0.846 nan 8.310 nan 0.000 0.480 263 Q N 1.785 121.590 119.800 0.009 0.000 2.079 263 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 263 Q C 1.357 177.361 176.000 0.007 0.000 0.974 263 Q CA 1.709 57.516 55.803 0.007 0.000 0.840 263 Q CB -0.402 28.339 28.738 0.006 0.000 0.898 263 Q HN 0.353 nan 8.270 nan 0.000 0.430 264 D N 0.152 120.557 120.400 0.008 0.000 2.104 264 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 264 D C 1.676 177.981 176.300 0.008 0.000 0.994 264 D CA 1.436 55.440 54.000 0.008 0.000 0.830 264 D CB -0.074 40.732 40.800 0.010 0.000 0.959 264 D HN 0.368 nan 8.370 nan 0.000 0.452 265 K N 0.685 121.091 120.400 0.010 0.000 2.057 265 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 265 K C 2.160 178.764 176.600 0.007 0.000 1.049 265 K CA 0.889 57.183 56.287 0.011 0.000 0.931 265 K CB -0.040 32.470 32.500 0.017 0.000 0.714 265 K HN 0.223 nan 8.250 nan 0.000 0.440 266 E N 0.921 121.124 120.200 0.006 0.000 2.058 266 E HA -0.196 4.153 4.350 -0.000 0.000 0.194 266 E C 1.654 178.253 176.600 -0.001 0.000 0.997 266 E CA 1.337 57.738 56.400 0.002 0.000 0.801 266 E CB -0.045 29.657 29.700 0.003 0.000 0.746 266 E HN 0.273 nan 8.360 nan 0.000 0.450 267 D N 0.659 121.059 120.400 0.000 0.000 2.117 267 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 267 D C 2.016 178.314 176.300 -0.004 0.000 0.987 267 D CA 0.843 54.842 54.000 -0.002 0.000 0.829 267 D CB -0.226 40.574 40.800 0.000 0.000 0.961 267 D HN 0.184 nan 8.370 nan 0.000 0.460 268 I N 1.162 121.730 120.570 -0.003 0.000 2.226 268 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 268 I C 2.470 178.581 176.117 -0.011 0.000 1.100 268 I CA 1.052 62.348 61.300 -0.006 0.000 1.374 268 I CB -0.227 37.772 38.000 -0.002 0.000 1.057 268 I HN -0.071 nan 8.210 nan 0.000 0.413 269 A N -0.185 122.629 122.820 -0.011 0.000 1.902 269 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 269 A C 2.495 180.066 177.584 -0.021 0.000 1.181 269 A CA 2.285 54.311 52.037 -0.019 0.000 0.623 269 A CB -0.855 18.134 19.000 -0.019 0.000 0.818 269 A HN 0.418 nan 8.150 nan 0.000 0.443 270 S N -0.637 115.053 115.700 -0.016 0.000 2.348 270 S HA -0.141 4.329 4.470 -0.000 0.000 0.221 270 S C 1.922 176.513 174.600 -0.016 0.000 1.033 270 S CA 1.794 59.985 58.200 -0.016 0.000 1.010 270 S CB -0.545 62.648 63.200 -0.011 0.000 0.891 270 S HN 0.309 nan 8.310 nan 0.000 0.442 271 V N 1.480 121.386 119.914 -0.014 0.000 2.343 271 V HA -0.107 4.013 4.120 -0.000 0.000 0.247 271 V C 2.520 178.604 176.094 -0.017 0.000 1.051 271 V CA 1.691 63.983 62.300 -0.014 0.000 1.036 271 V CB -0.733 31.083 31.823 -0.013 0.000 0.654 271 V HN 0.426 nan 8.190 nan 0.000 0.451 272 V N 0.144 120.046 119.914 -0.019 0.000 2.332 272 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 272 V C 2.461 178.540 176.094 -0.025 0.000 1.055 272 V CA 2.562 64.849 62.300 -0.022 0.000 1.038 272 V CB -0.634 31.173 31.823 -0.026 0.000 0.651 272 V HN 0.605 nan 8.190 nan 0.000 0.450 273 K N -0.017 120.367 120.400 -0.027 0.000 2.025 273 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 273 K C 2.253 178.840 176.600 -0.023 0.000 1.049 273 K CA 1.882 58.151 56.287 -0.030 0.000 0.933 273 K CB -0.202 32.279 32.500 -0.033 0.000 0.714 273 K HN 0.557 nan 8.250 nan 0.000 0.438 274 E N 0.549 120.738 120.200 -0.018 0.000 2.058 274 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 274 E C 1.829 178.422 176.600 -0.012 0.000 0.997 274 E CA 1.287 57.678 56.400 -0.014 0.000 0.801 274 E CB 0.029 29.722 29.700 -0.011 0.000 0.746 274 E HN 0.382 nan 8.360 nan 0.000 0.450 275 L N -1.005 120.211 121.223 -0.012 0.000 2.529 275 L HA 0.223 4.563 4.340 -0.000 0.000 0.223 275 L C 1.359 178.224 176.870 -0.009 0.000 1.113 275 L CA 0.380 55.214 54.840 -0.009 0.000 0.861 275 L CB 0.278 42.332 42.059 -0.008 0.000 1.012 275 L HN 0.378 nan 8.230 nan 0.000 0.461 276 G N 1.180 109.972 108.800 -0.013 0.000 2.182 276 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 276 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 276 G C 0.254 175.147 174.900 -0.011 0.000 1.042 276 G CA -0.485 44.607 45.100 -0.014 0.000 0.775 276 G HN 0.122 nan 8.290 nan 0.000 0.501 277 I N 1.079 121.642 120.570 -0.013 0.000 2.845 277 I HA -0.004 4.166 4.170 -0.000 0.000 0.296 277 I C 1.400 177.510 176.117 -0.013 0.000 1.216 277 I CA 0.334 61.628 61.300 -0.010 0.000 1.438 277 I CB 0.435 38.426 38.000 -0.015 0.000 1.342 277 I HN 0.188 nan 8.210 nan 0.000 0.577 278 D N 4.510 124.908 120.400 -0.004 0.000 2.219 278 D HA 0.037 4.677 4.640 -0.000 0.000 0.205 278 D C 0.975 177.257 176.300 -0.029 0.000 0.970 278 D CA 0.854 54.849 54.000 -0.008 0.000 0.851 278 D CB 0.543 41.351 40.800 0.014 0.000 0.943 278 D HN 0.763 nan 8.370 nan 0.000 0.488 279 G N -0.736 108.044 108.800 -0.034 0.000 2.441 279 G HA2 0.517 4.477 3.960 -0.000 0.000 0.294 279 G HA3 0.517 4.477 3.960 -0.000 0.000 0.294 279 G C -1.954 172.920 174.900 -0.042 0.000 1.393 279 G CA -0.793 44.274 45.100 -0.055 0.000 0.796 279 G HN 0.033 nan 8.290 nan 0.000 0.494 280 L N -0.065 121.132 121.223 -0.044 0.000 2.388 280 L HA 0.642 4.982 4.340 -0.000 0.000 0.264 280 L C -0.593 176.265 176.870 -0.019 0.000 0.998 280 L CA -0.886 53.941 54.840 -0.020 0.000 0.817 280 L CB 2.536 44.591 42.059 -0.007 0.000 1.338 280 L HN 0.366 nan 8.230 nan 0.000 0.414 281 I N 2.877 123.452 120.570 0.008 0.000 2.362 281 I HA 0.443 4.613 4.170 -0.000 0.000 0.289 281 I C -0.967 175.173 176.117 0.039 0.000 0.994 281 I CA -0.736 60.581 61.300 0.028 0.000 1.158 281 I CB 1.934 39.971 38.000 0.063 0.000 1.315 281 I HN 0.174 nan 8.210 nan 0.000 0.451 282 V N 5.021 124.958 119.914 0.039 0.000 2.447 282 V HA 0.520 4.640 4.120 -0.000 0.000 0.292 282 V C 0.050 176.171 176.094 0.045 0.000 1.021 282 V CA -0.419 61.905 62.300 0.040 0.000 0.850 282 V CB 1.638 33.482 31.823 0.036 0.000 1.005 282 V HN 0.898 nan 8.190 nan 0.000 0.426 283 T N 0.526 115.110 114.554 0.049 0.000 2.804 283 T HA 0.539 4.888 4.350 -0.000 0.000 0.290 283 T C -0.284 174.452 174.700 0.059 0.000 1.099 283 T CA -0.735 61.395 62.100 0.050 0.000 1.011 283 T CB 2.252 71.145 68.868 0.041 0.000 1.291 283 T HN 0.398 nan 8.240 nan 0.000 0.523 284 N N 0.252 118.987 118.700 0.058 0.000 2.443 284 N HA 0.357 5.097 4.740 -0.000 0.000 0.294 284 N C 0.235 175.774 175.510 0.049 0.000 1.289 284 N CA 0.113 53.202 53.050 0.064 0.000 0.966 284 N CB 1.189 39.716 38.487 0.067 0.000 1.122 284 N HN 0.970 nan 8.380 nan 0.000 0.569 285 T N -2.300 112.280 114.554 0.043 0.000 2.813 285 T HA 0.180 4.530 4.350 -0.000 0.000 0.297 285 T C 0.470 175.183 174.700 0.022 0.000 1.036 285 T CA -0.425 61.692 62.100 0.028 0.000 1.044 285 T CB 0.671 69.551 68.868 0.020 0.000 0.993 285 T HN 0.381 nan 8.240 nan 0.000 0.535 286 T N -0.057 114.507 114.554 0.016 0.000 2.859 286 T HA 0.416 4.766 4.350 -0.000 0.000 0.281 286 T C 1.079 175.782 174.700 0.005 0.000 1.005 286 T CA -0.454 61.653 62.100 0.012 0.000 1.025 286 T CB 0.863 69.738 68.868 0.011 0.000 0.977 286 T HN 0.790 nan 8.240 nan 0.000 0.458 287 V N 2.208 122.124 119.914 0.002 0.000 3.649 287 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 287 V C 1.037 177.127 176.094 -0.006 0.000 1.281 287 V CA 0.240 62.538 62.300 -0.004 0.000 1.143 287 V CB -1.155 30.664 31.823 -0.006 0.000 0.892 287 V HN 0.800 nan 8.190 nan 0.000 0.441 288 S N 1.269 116.968 115.700 -0.002 0.000 2.632 288 S HA 0.589 5.059 4.470 -0.000 0.000 0.267 288 S C 0.103 174.699 174.600 -0.006 0.000 1.276 288 S CA -0.708 57.490 58.200 -0.004 0.000 0.998 288 S CB 1.266 64.465 63.200 -0.000 0.000 0.953 288 S HN 0.451 nan 8.310 nan 0.000 0.547 289 R N 1.738 122.232 120.500 -0.009 0.000 2.513 289 R HA 0.401 4.740 4.340 -0.000 0.000 0.283 289 R C -2.935 173.359 176.300 -0.009 0.000 1.535 289 R CA -1.707 54.386 56.100 -0.011 0.000 1.315 289 R CB 0.329 30.618 30.300 -0.018 0.000 1.163 289 R HN 0.582 nan 8.270 nan 0.000 0.573 290 P HA -0.031 nan 4.420 nan 0.000 0.264 290 P C -0.255 177.040 177.300 -0.007 0.000 1.179 290 P CA 0.145 63.242 63.100 -0.005 0.000 0.763 290 P CB 0.602 32.301 31.700 -0.003 0.000 0.806 291 A N 2.447 125.263 122.820 -0.007 0.000 2.498 291 A HA 0.448 4.768 4.320 -0.000 0.000 0.239 291 A C 1.482 179.061 177.584 -0.008 0.000 1.068 291 A CA 0.719 52.751 52.037 -0.008 0.000 0.766 291 A CB -0.834 18.162 19.000 -0.007 0.000 1.003 291 A HN 0.903 nan 8.150 nan 0.000 0.497 292 G N 0.795 109.589 108.800 -0.010 0.000 2.218 292 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 292 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 292 G C 0.182 175.076 174.900 -0.011 0.000 0.994 292 G CA -0.042 45.052 45.100 -0.010 0.000 0.637 292 G HN 0.797 nan 8.290 nan 0.000 0.505 293 L N 1.008 122.225 121.223 -0.011 0.000 2.490 293 L HA 0.202 4.542 4.340 -0.000 0.000 0.274 293 L C 1.604 178.466 176.870 -0.013 0.000 1.201 293 L CA 0.141 54.974 54.840 -0.012 0.000 0.869 293 L CB 0.763 42.814 42.059 -0.013 0.000 1.123 293 L HN 0.143 nan 8.230 nan 0.000 0.484 294 Q N 2.238 122.031 119.800 -0.011 0.000 2.378 294 Q HA 0.148 4.488 4.340 -0.000 0.000 0.229 294 Q C 0.912 176.906 176.000 -0.009 0.000 0.882 294 Q CA 0.212 56.009 55.803 -0.011 0.000 0.936 294 Q CB 0.495 29.227 28.738 -0.009 0.000 1.092 294 Q HN 0.819 nan 8.270 nan 0.000 0.535 295 G N 0.813 109.610 108.800 -0.005 0.000 2.287 295 G HA2 0.153 4.112 3.960 -0.000 0.000 0.235 295 G HA3 0.153 4.112 3.960 -0.000 0.000 0.235 295 G C 0.981 175.873 174.900 -0.013 0.000 1.258 295 G CA 0.522 45.622 45.100 0.001 0.000 0.884 295 G HN 0.250 nan 8.290 nan 0.000 0.518 296 A N 2.269 125.082 122.820 -0.012 0.000 2.019 296 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 296 A C 2.008 179.561 177.584 -0.052 0.000 1.164 296 A CA 0.847 52.869 52.037 -0.025 0.000 0.644 296 A CB -0.129 18.861 19.000 -0.016 0.000 0.805 296 A HN 0.621 nan 8.150 nan 0.000 0.449 297 L N 0.027 121.216 121.223 -0.056 0.000 2.728 297 L HA 0.085 4.424 4.340 -0.000 0.000 0.235 297 L C 2.151 178.942 176.870 -0.132 0.000 1.197 297 L CA 0.124 54.887 54.840 -0.128 0.000 0.992 297 L CB -0.300 41.683 42.059 -0.126 0.000 1.263 297 L HN 0.531 nan 8.230 nan 0.000 0.484 298 R N -0.911 119.542 120.500 -0.079 0.000 2.159 298 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 298 R C 1.286 177.537 176.300 -0.083 0.000 1.131 298 R CA 1.382 57.444 56.100 -0.063 0.000 0.982 298 R CB -0.453 29.823 30.300 -0.040 0.000 0.868 298 R HN 0.114 nan 8.270 nan 0.000 0.453 299 S N 0.606 116.242 115.700 -0.106 0.000 2.597 299 S HA 0.111 4.581 4.470 -0.000 0.000 0.224 299 S C -0.345 174.166 174.600 -0.148 0.000 0.955 299 S CA -0.312 57.825 58.200 -0.104 0.000 0.933 299 S CB 0.137 63.286 63.200 -0.084 0.000 0.788 299 S HN 0.271 nan 8.310 nan 0.000 0.488 300 E N 2.346 122.410 120.200 -0.226 0.000 2.383 300 E HA 0.107 4.457 4.350 -0.000 0.000 0.264 300 E C 0.074 176.569 176.600 -0.175 0.000 1.050 300 E CA 0.272 56.477 56.400 -0.324 0.000 0.896 300 E CB 0.575 29.860 29.700 -0.692 0.000 0.982 300 E HN 0.056 nan 8.360 nan 0.000 0.424 301 T N 1.324 115.802 114.554 -0.126 0.000 2.901 301 T HA 0.501 4.851 4.350 -0.000 0.000 0.301 301 T C 0.322 175.014 174.700 -0.013 0.000 1.012 301 T CA 0.473 62.540 62.100 -0.055 0.000 1.135 301 T CB 0.775 69.621 68.868 -0.037 0.000 0.936 301 T HN 0.653 nan 8.240 nan 0.000 0.539 302 G N 1.174 109.970 108.800 -0.007 0.000 2.369 302 G HA2 0.418 4.378 3.960 -0.000 0.000 0.295 302 G HA3 0.418 4.378 3.960 -0.000 0.000 0.295 302 G C -0.486 174.418 174.900 0.007 0.000 1.298 302 G CA -0.530 44.578 45.100 0.014 0.000 0.940 302 G HN 0.860 nan 8.290 nan 0.000 0.536 303 G N -0.870 107.938 108.800 0.013 0.000 2.338 303 G HA2 0.667 4.627 3.960 -0.000 0.000 0.298 303 G HA3 0.667 4.627 3.960 -0.000 0.000 0.298 303 G C -0.466 174.442 174.900 0.014 0.000 1.140 303 G CA -0.250 44.856 45.100 0.010 0.000 0.860 303 G HN 1.217 nan 8.290 nan 0.000 0.470 304 L N 3.039 124.268 121.223 0.010 0.000 2.292 304 L HA 0.693 5.033 4.340 -0.000 0.000 0.284 304 L C 0.537 177.413 176.870 0.011 0.000 1.065 304 L CA -0.152 54.696 54.840 0.012 0.000 0.806 304 L CB 1.419 43.483 42.059 0.009 0.000 1.175 304 L HN 0.621 nan 8.230 nan 0.000 0.431 305 S N 2.834 118.539 115.700 0.008 0.000 2.704 305 S HA 1.039 5.509 4.470 -0.000 0.000 0.296 305 S C -0.007 174.611 174.600 0.030 0.000 1.138 305 S CA -0.205 57.999 58.200 0.007 0.000 0.875 305 S CB 1.308 64.486 63.200 -0.036 0.000 1.151 305 S HN 1.744 nan 8.310 nan 0.000 0.500 306 G N 1.123 109.948 108.800 0.042 0.000 2.548 306 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.208 306 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.208 306 G C 0.307 175.232 174.900 0.042 0.000 1.308 306 G CA 0.125 45.263 45.100 0.063 0.000 0.924 306 G HN 0.903 nan 8.290 nan 0.000 0.540 307 K N 0.738 121.153 120.400 0.025 0.000 2.074 307 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 307 K C -0.168 176.439 176.600 0.012 0.000 1.048 307 K CA 2.255 58.552 56.287 0.017 0.000 0.926 307 K CB -0.828 31.670 32.500 -0.003 0.000 0.713 307 K HN 0.301 nan 8.250 nan 0.000 0.444 308 P HA -0.136 nan 4.420 nan 0.000 0.222 308 P C 0.977 178.284 177.300 0.011 0.000 1.147 308 P CA 0.809 63.913 63.100 0.006 0.000 0.790 308 P CB 0.120 31.822 31.700 0.004 0.000 0.780 309 L N -1.222 120.011 121.223 0.017 0.000 2.416 309 L HA 0.196 4.536 4.340 -0.000 0.000 0.216 309 L C 2.330 179.214 176.870 0.023 0.000 1.098 309 L CA 0.985 55.837 54.840 0.020 0.000 0.840 309 L CB -0.657 41.417 42.059 0.025 0.000 0.981 309 L HN -0.292 nan 8.230 nan 0.000 0.462 310 R N 0.072 120.587 120.500 0.025 0.000 2.143 310 R HA -0.259 4.081 4.340 -0.000 0.000 0.239 310 R C 1.606 177.918 176.300 0.019 0.000 1.126 310 R CA 2.635 58.750 56.100 0.026 0.000 0.927 310 R CB -0.448 29.867 30.300 0.026 0.000 0.860 310 R HN 0.386 nan 8.270 nan 0.000 0.433 311 D N 0.054 120.462 120.400 0.013 0.000 2.224 311 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 311 D C 1.695 178.002 176.300 0.011 0.000 0.965 311 D CA 0.549 54.554 54.000 0.009 0.000 0.852 311 D CB -0.147 40.656 40.800 0.005 0.000 0.947 311 D HN 0.181 nan 8.370 nan 0.000 0.494 312 L N 0.407 121.638 121.223 0.013 0.000 2.046 312 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 312 L C 1.987 178.869 176.870 0.020 0.000 1.077 312 L CA 1.581 56.430 54.840 0.015 0.000 0.747 312 L CB -0.550 41.518 42.059 0.015 0.000 0.896 312 L HN -0.150 nan 8.230 nan 0.000 0.432 313 S N -1.090 114.623 115.700 0.022 0.000 2.355 313 S HA -0.161 4.309 4.470 -0.000 0.000 0.222 313 S C 1.788 176.404 174.600 0.025 0.000 1.031 313 S CA 1.635 59.851 58.200 0.027 0.000 0.993 313 S CB -0.531 62.688 63.200 0.032 0.000 0.859 313 S HN 0.583 nan 8.310 nan 0.000 0.453 314 T N 2.424 116.990 114.554 0.019 0.000 2.720 314 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 314 T C 1.913 176.623 174.700 0.017 0.000 1.037 314 T CA 1.084 63.192 62.100 0.013 0.000 1.144 314 T CB -0.280 68.590 68.868 0.003 0.000 0.864 314 T HN 0.306 nan 8.240 nan 0.000 0.444 315 Q N 0.514 120.325 119.800 0.017 0.000 2.167 315 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 315 Q C 2.546 178.569 176.000 0.038 0.000 0.970 315 Q CA 1.225 57.042 55.803 0.022 0.000 0.855 315 Q CB -0.698 28.049 28.738 0.015 0.000 0.911 315 Q HN 0.512 nan 8.270 nan 0.000 0.438 316 T N 1.449 116.025 114.554 0.036 0.000 2.821 316 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 316 T C 2.032 176.766 174.700 0.057 0.000 1.046 316 T CA 0.656 62.782 62.100 0.042 0.000 1.139 316 T CB -0.103 68.787 68.868 0.035 0.000 0.871 316 T HN 0.181 nan 8.240 nan 0.000 0.454 317 I N 0.663 121.266 120.570 0.054 0.000 2.179 317 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 317 I C 2.849 179.036 176.117 0.117 0.000 1.088 317 I CA 1.230 62.570 61.300 0.067 0.000 1.357 317 I CB -0.321 37.701 38.000 0.037 0.000 1.051 317 I HN 0.111 nan 8.210 nan 0.000 0.409 318 R N 0.721 121.292 120.500 0.118 0.000 2.083 318 R HA -0.260 4.080 4.340 -0.000 0.000 0.237 318 R C 2.282 178.736 176.300 0.258 0.000 1.137 318 R CA 2.046 58.272 56.100 0.210 0.000 0.951 318 R CB -0.122 30.232 30.300 0.089 0.000 0.851 318 R HN 0.216 nan 8.270 nan 0.000 0.434 319 E N 0.036 120.325 120.200 0.149 0.000 2.072 319 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 319 E C 1.818 178.481 176.600 0.106 0.000 0.985 319 E CA 1.470 57.943 56.400 0.121 0.000 0.801 319 E CB -0.010 29.733 29.700 0.073 0.000 0.750 319 E HN 0.187 nan 8.360 nan 0.000 0.452 320 M N -0.454 119.203 119.600 0.094 0.000 2.229 320 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 320 M C 2.020 178.355 176.300 0.058 0.000 1.063 320 M CA 1.195 56.531 55.300 0.061 0.000 1.114 320 M CB -1.129 31.502 32.600 0.051 0.000 1.387 320 M HN 0.240 nan 8.290 nan 0.000 0.420 321 Y N 1.178 121.452 120.300 -0.043 0.000 2.145 321 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 321 Y C 2.411 178.204 175.900 -0.178 0.000 1.145 321 Y CA 2.026 60.043 58.100 -0.138 0.000 1.148 321 Y CB -0.296 38.032 38.460 -0.221 0.000 0.981 321 Y HN 0.196 nan 8.280 nan 0.000 0.507 322 A N 0.175 123.005 122.820 0.016 0.000 1.873 322 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 322 A C 2.259 179.806 177.584 -0.061 0.000 1.186 322 A CA 1.761 53.788 52.037 -0.016 0.000 0.616 322 A CB -1.168 17.927 19.000 0.158 0.000 0.823 322 A HN 0.536 nan 8.150 nan 0.000 0.442 323 L N 0.024 121.232 121.223 -0.025 0.000 2.131 323 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 323 L C 2.346 179.171 176.870 -0.074 0.000 1.092 323 L CA 1.672 56.492 54.840 -0.034 0.000 0.759 323 L CB -0.567 41.486 42.059 -0.010 0.000 0.903 323 L HN 0.643 nan 8.230 nan 0.000 0.435 324 T N -4.404 110.077 114.554 -0.122 0.000 3.163 324 T HA 0.103 4.452 4.350 -0.000 0.000 0.252 324 T C 0.737 175.301 174.700 -0.226 0.000 1.056 324 T CA -0.351 61.660 62.100 -0.149 0.000 0.947 324 T CB 0.223 69.008 68.868 -0.138 0.000 1.016 324 T HN 0.359 nan 8.240 nan 0.000 0.554 325 Q N 0.389 120.034 119.800 -0.259 0.000 2.461 325 Q HA -0.235 4.105 4.340 -0.000 0.000 0.264 325 Q C 1.187 176.907 176.000 -0.466 0.000 1.085 325 Q CA 0.532 56.161 55.803 -0.290 0.000 1.006 325 Q CB -2.292 26.344 28.738 -0.169 0.000 1.437 325 Q HN 1.033 nan 8.270 nan 0.000 0.514 326 G N -0.107 108.185 108.800 -0.847 0.000 2.187 326 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.261 326 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.261 326 G C 0.587 175.214 174.900 -0.456 0.000 1.000 326 G CA 0.816 45.210 45.100 -1.177 0.000 0.718 326 G HN 0.511 nan 8.290 nan 0.000 0.519 327 R N -1.105 119.213 120.500 -0.304 0.000 2.334 327 R HA 0.340 4.680 4.340 -0.000 0.000 0.216 327 R C 0.259 176.487 176.300 -0.120 0.000 0.905 327 R CA 0.306 56.308 56.100 -0.163 0.000 1.064 327 R CB 0.926 31.150 30.300 -0.128 0.000 1.046 327 R HN 0.309 nan 8.270 nan 0.000 0.508 328 V N 2.870 122.704 119.914 -0.133 0.000 2.376 328 V HA 0.268 4.388 4.120 -0.000 0.000 0.287 328 V C -2.326 173.736 176.094 -0.054 0.000 1.015 328 V CA -2.421 59.830 62.300 -0.082 0.000 0.834 328 V CB 1.766 33.544 31.823 -0.075 0.000 1.001 328 V HN -0.058 nan 8.190 nan 0.000 0.428 329 P HA 0.201 nan 4.420 nan 0.000 0.262 329 P C -0.641 176.624 177.300 -0.058 0.000 1.182 329 P CA 0.468 63.533 63.100 -0.058 0.000 0.761 329 P CB 0.428 32.071 31.700 -0.094 0.000 0.795 330 I N 3.874 124.420 120.570 -0.040 0.000 2.465 330 I HA 0.366 4.535 4.170 -0.000 0.000 0.291 330 I C 0.039 176.115 176.117 -0.069 0.000 1.014 330 I CA -0.726 60.555 61.300 -0.032 0.000 1.093 330 I CB 1.693 39.712 38.000 0.030 0.000 1.267 330 I HN 0.122 nan 8.210 nan 0.000 0.431 331 I N 5.104 125.635 120.570 -0.064 0.000 2.312 331 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 331 I C 0.683 176.811 176.117 0.018 0.000 1.008 331 I CA -0.317 60.959 61.300 -0.040 0.000 1.226 331 I CB 1.353 39.336 38.000 -0.030 0.000 1.371 331 I HN 0.626 nan 8.210 nan 0.000 0.468 332 G N 6.173 114.989 108.800 0.026 0.000 2.339 332 G HA2 0.549 4.509 3.960 -0.000 0.000 0.287 332 G HA3 0.549 4.509 3.960 -0.000 0.000 0.287 332 G C -0.615 174.320 174.900 0.058 0.000 1.163 332 G CA -0.156 44.964 45.100 0.034 0.000 0.872 332 G HN 0.382 nan 8.290 nan 0.000 0.464 333 V N 0.866 120.815 119.914 0.058 0.000 2.888 333 V HA 0.950 5.070 4.120 -0.000 0.000 0.309 333 V C 0.291 176.421 176.094 0.060 0.000 1.114 333 V CA -0.087 62.253 62.300 0.067 0.000 0.940 333 V CB 1.601 33.471 31.823 0.079 0.000 1.021 333 V HN 1.684 nan 8.190 nan 0.000 0.426 334 G N 1.675 110.513 108.800 0.064 0.000 2.789 334 G HA2 0.528 4.488 3.960 -0.000 0.000 0.353 334 G HA3 0.528 4.488 3.960 -0.000 0.000 0.353 334 G C 0.472 175.405 174.900 0.054 0.000 1.220 334 G CA -0.112 45.022 45.100 0.056 0.000 1.204 334 G HN 2.166 nan 8.290 nan 0.000 0.574 335 G N -0.566 108.271 108.800 0.063 0.000 2.198 335 G HA2 0.012 3.972 3.960 -0.000 0.000 0.260 335 G HA3 0.012 3.972 3.960 -0.000 0.000 0.260 335 G C 0.537 175.481 174.900 0.074 0.000 1.025 335 G CA 0.588 45.727 45.100 0.066 0.000 0.769 335 G HN 1.788 nan 8.290 nan 0.000 0.507 336 V N 0.581 120.545 119.914 0.084 0.000 2.408 336 V HA 0.587 4.707 4.120 -0.000 0.000 0.267 336 V C 1.118 177.280 176.094 0.113 0.000 1.047 336 V CA 1.125 63.474 62.300 0.082 0.000 0.937 336 V CB 1.451 33.319 31.823 0.076 0.000 0.999 336 V HN 0.461 nan 8.190 nan 0.000 0.472 337 S N 2.756 118.521 115.700 0.108 0.000 2.817 337 S HA 0.262 4.732 4.470 -0.000 0.000 0.262 337 S C 0.355 174.995 174.600 0.068 0.000 1.051 337 S CA 0.346 58.639 58.200 0.155 0.000 1.185 337 S CB 0.236 63.587 63.200 0.251 0.000 1.152 337 S HN 0.949 nan 8.310 nan 0.000 0.653 338 S N -1.398 114.317 115.700 0.025 0.000 2.671 338 S HA 0.669 5.139 4.470 -0.000 0.000 0.277 338 S C 1.150 175.736 174.600 -0.024 0.000 1.165 338 S CA -0.118 58.069 58.200 -0.022 0.000 0.822 338 S CB 0.596 63.774 63.200 -0.036 0.000 1.150 338 S HN 0.130 nan 8.310 nan 0.000 0.479 339 G N 0.183 108.957 108.800 -0.044 0.000 2.422 339 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 339 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 339 G C 1.155 176.043 174.900 -0.021 0.000 1.146 339 G CA 1.138 46.214 45.100 -0.040 0.000 0.769 339 G HN 0.837 nan 8.290 nan 0.000 0.547 340 Q N 0.243 120.033 119.800 -0.017 0.000 2.084 340 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 340 Q C 1.950 177.946 176.000 -0.006 0.000 0.978 340 Q CA 1.720 57.518 55.803 -0.009 0.000 0.844 340 Q CB -0.136 28.596 28.738 -0.009 0.000 0.898 340 Q HN 0.361 nan 8.270 nan 0.000 0.426 341 D N 0.421 120.820 120.400 -0.002 0.000 2.123 341 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 341 D C 1.752 178.055 176.300 0.004 0.000 0.992 341 D CA 1.447 55.451 54.000 0.007 0.000 0.833 341 D CB -0.342 40.472 40.800 0.023 0.000 0.954 341 D HN 0.432 nan 8.370 nan 0.000 0.455 342 A N 0.863 123.684 122.820 0.001 0.000 1.877 342 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 342 A C 2.174 179.743 177.584 -0.024 0.000 1.186 342 A CA 1.052 53.088 52.037 -0.002 0.000 0.620 342 A CB -0.800 18.200 19.000 -0.001 0.000 0.822 342 A HN 0.226 nan 8.150 nan 0.000 0.443 343 L N 0.249 121.454 121.223 -0.031 0.000 2.131 343 L HA -0.133 4.206 4.340 -0.000 0.000 0.210 343 L C 2.167 179.003 176.870 -0.057 0.000 1.092 343 L CA 2.150 56.958 54.840 -0.054 0.000 0.759 343 L CB -0.644 41.397 42.059 -0.031 0.000 0.903 343 L HN 0.518 nan 8.230 nan 0.000 0.435 344 E N -0.650 119.530 120.200 -0.032 0.000 2.110 344 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 344 E C 2.100 178.673 176.600 -0.045 0.000 0.988 344 E CA 1.235 57.615 56.400 -0.032 0.000 0.804 344 E CB -0.064 29.625 29.700 -0.017 0.000 0.745 344 E HN 0.521 nan 8.360 nan 0.000 0.458 345 K N 0.433 120.810 120.400 -0.038 0.000 2.103 345 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 345 K C 2.155 178.709 176.600 -0.076 0.000 1.052 345 K CA 0.720 56.984 56.287 -0.040 0.000 0.945 345 K CB -0.001 32.490 32.500 -0.015 0.000 0.722 345 K HN 0.090 nan 8.250 nan 0.000 0.443 346 I N 0.806 121.320 120.570 -0.093 0.000 2.179 346 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 346 I C 2.285 178.290 176.117 -0.188 0.000 1.088 346 I CA 1.290 62.506 61.300 -0.141 0.000 1.357 346 I CB -0.161 37.748 38.000 -0.152 0.000 1.051 346 I HN 0.100 nan 8.210 nan 0.000 0.409 347 R N 0.611 121.009 120.500 -0.169 0.000 2.152 347 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 347 R C 2.229 178.446 176.300 -0.138 0.000 1.117 347 R CA 1.266 57.273 56.100 -0.155 0.000 0.981 347 R CB -0.344 29.902 30.300 -0.090 0.000 0.870 347 R HN 0.361 nan 8.270 nan 0.000 0.451 348 A N -0.361 122.384 122.820 -0.125 0.000 2.167 348 A HA 0.140 4.459 4.320 -0.000 0.000 0.214 348 A C 1.479 178.971 177.584 -0.154 0.000 1.151 348 A CA 1.251 53.239 52.037 -0.081 0.000 0.735 348 A CB 0.160 19.135 19.000 -0.041 0.000 0.802 348 A HN 0.470 nan 8.150 nan 0.000 0.467 349 G N -2.892 105.682 108.800 -0.376 0.000 2.559 349 G HA2 0.277 4.237 3.960 -0.000 0.000 0.202 349 G HA3 0.277 4.237 3.960 -0.000 0.000 0.202 349 G C 0.270 175.015 174.900 -0.259 0.000 0.992 349 G CA -0.004 44.644 45.100 -0.754 0.000 0.764 349 G HN 1.262 nan 8.290 nan 0.000 0.525 350 A N 0.639 123.368 122.820 -0.152 0.000 2.363 350 A HA 0.758 5.078 4.320 -0.000 0.000 0.270 350 A C 1.319 178.840 177.584 -0.105 0.000 1.121 350 A CA 0.982 52.968 52.037 -0.085 0.000 0.800 350 A CB 0.864 19.830 19.000 -0.056 0.000 1.052 350 A HN 0.655 nan 8.150 nan 0.000 0.493 351 S N 1.023 116.658 115.700 -0.109 0.000 2.458 351 S HA 0.270 4.740 4.470 -0.000 0.000 0.223 351 S C 0.385 174.870 174.600 -0.191 0.000 1.019 351 S CA 0.503 58.616 58.200 -0.146 0.000 0.937 351 S CB -0.297 62.802 63.200 -0.169 0.000 0.788 351 S HN 0.589 nan 8.310 nan 0.000 0.511 352 L N 0.663 121.778 121.223 -0.180 0.000 2.409 352 L HA 0.693 5.033 4.340 -0.000 0.000 0.255 352 L C -1.017 175.872 176.870 0.031 0.000 1.027 352 L CA -1.062 53.700 54.840 -0.131 0.000 0.834 352 L CB 2.190 44.009 42.059 -0.399 0.000 1.426 352 L HN -0.039 nan 8.230 nan 0.000 0.411 353 V N -1.307 118.707 119.914 0.166 0.000 3.102 353 V HA 0.725 4.844 4.120 -0.000 0.000 0.312 353 V C -1.165 175.049 176.094 0.200 0.000 1.135 353 V CA -0.527 61.863 62.300 0.150 0.000 1.022 353 V CB 2.070 33.945 31.823 0.087 0.000 1.056 353 V HN 0.883 nan 8.190 nan 0.000 0.436 354 Q N 1.401 121.269 119.800 0.115 0.000 2.495 354 Q HA 0.861 5.201 4.340 -0.000 0.000 0.287 354 Q C -1.629 174.404 176.000 0.054 0.000 1.078 354 Q CA -0.882 54.935 55.803 0.023 0.000 0.793 354 Q CB 2.886 31.620 28.738 -0.006 0.000 1.459 354 Q HN 0.936 nan 8.270 nan 0.000 0.422 355 L N -2.498 118.749 121.223 0.040 0.000 2.469 355 L HA 0.573 4.913 4.340 -0.000 0.000 0.256 355 L C -1.086 175.856 176.870 0.120 0.000 1.006 355 L CA -0.435 54.471 54.840 0.111 0.000 0.832 355 L CB 1.352 43.506 42.059 0.158 0.000 1.421 355 L HN 0.882 nan 8.230 nan 0.000 0.410 356 Y N -0.240 120.061 120.300 0.002 0.000 3.299 356 Y HA -0.000 4.550 4.550 -0.000 0.000 0.195 356 Y C 1.584 177.489 175.900 0.008 0.000 0.972 356 Y CA 0.499 58.584 58.100 -0.025 0.000 1.633 356 Y CB 0.810 39.263 38.460 -0.012 0.000 1.465 356 Y HN 0.672 nan 8.280 nan 0.000 0.367 357 T N 1.899 116.518 114.554 0.109 0.000 2.737 357 T HA -0.246 4.103 4.350 -0.000 0.000 0.269 357 T C 1.770 176.544 174.700 0.122 0.000 1.040 357 T CA 1.598 63.699 62.100 0.002 0.000 1.142 357 T CB -0.603 68.277 68.868 0.020 0.000 0.861 357 T HN 0.510 nan 8.240 nan 0.000 0.456 358 A N 1.105 124.030 122.820 0.175 0.000 1.940 358 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 358 A C 2.225 179.889 177.584 0.134 0.000 1.176 358 A CA 1.316 53.474 52.037 0.203 0.000 0.631 358 A CB -0.755 18.423 19.000 0.295 0.000 0.814 358 A HN 0.432 nan 8.150 nan 0.000 0.446 359 L N 0.509 121.817 121.223 0.142 0.000 2.083 359 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 359 L C 2.700 179.587 176.870 0.027 0.000 1.083 359 L CA 2.788 57.685 54.840 0.095 0.000 0.752 359 L CB -0.865 41.222 42.059 0.045 0.000 0.899 359 L HN 0.572 nan 8.230 nan 0.000 0.433 360 T N -3.933 110.604 114.554 -0.029 0.000 2.962 360 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 360 T C 1.592 176.026 174.700 -0.443 0.000 1.088 360 T CA 1.357 63.339 62.100 -0.197 0.000 1.127 360 T CB -0.642 68.036 68.868 -0.318 0.000 0.883 360 T HN 0.332 nan 8.240 nan 0.000 0.493 361 F N -0.818 118.891 119.950 -0.401 0.000 2.383 361 F HA 0.372 4.899 4.527 -0.000 0.000 0.287 361 F C 1.736 177.149 175.800 -0.645 0.000 1.069 361 F CA -0.277 57.261 58.000 -0.771 0.000 1.402 361 F CB 0.113 38.238 39.000 -1.459 0.000 1.116 361 F HN 0.157 nan 8.300 nan 0.000 0.549 362 W N 0.340 121.779 121.300 0.232 0.000 3.114 362 W HA 0.473 5.133 4.660 -0.000 0.000 0.279 362 W C 1.122 177.720 176.519 0.131 0.000 1.277 362 W CA 0.311 57.748 57.345 0.153 0.000 1.630 362 W CB -0.170 29.352 29.460 0.105 0.000 1.087 362 W HN 0.120 nan 8.180 nan 0.000 0.637 363 G N 0.919 109.864 108.800 0.243 0.000 2.796 363 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.571 363 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.571 363 G C -1.767 173.145 174.900 0.020 0.000 1.370 363 G CA -0.556 44.650 45.100 0.177 0.000 0.856 363 G HN -0.105 nan 8.290 nan 0.000 0.538 364 P HA -0.070 nan 4.420 nan 0.000 0.217 364 P C -1.153 176.006 177.300 -0.235 0.000 1.151 364 P CA 2.504 65.491 63.100 -0.189 0.000 0.849 364 P CB -0.434 31.146 31.700 -0.200 0.000 0.787 365 P HA -0.116 nan 4.420 nan 0.000 0.221 365 P C 1.628 178.859 177.300 -0.116 0.000 1.145 365 P CA 0.808 63.786 63.100 -0.203 0.000 0.795 365 P CB -0.380 31.206 31.700 -0.190 0.000 0.775 366 V N -0.534 119.350 119.914 -0.050 0.000 2.594 366 V HA -0.187 3.933 4.120 -0.000 0.000 0.253 366 V C 2.027 178.060 176.094 -0.102 0.000 1.069 366 V CA 1.643 63.939 62.300 -0.006 0.000 1.082 366 V CB -0.716 31.207 31.823 0.165 0.000 0.680 366 V HN -0.062 nan 8.190 nan 0.000 0.469 367 V N 0.680 120.470 119.914 -0.207 0.000 2.307 367 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 367 V C 2.714 178.634 176.094 -0.290 0.000 1.045 367 V CA 2.121 64.218 62.300 -0.339 0.000 1.024 367 V CB -1.509 29.921 31.823 -0.656 0.000 0.651 367 V HN 0.604 nan 8.190 nan 0.000 0.449 368 G N -0.582 108.070 108.800 -0.246 0.000 2.408 368 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 368 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 368 G C 1.642 176.340 174.900 -0.336 0.000 1.150 368 G CA 0.947 45.888 45.100 -0.265 0.000 0.776 368 G HN 0.474 nan 8.290 nan 0.000 0.542 369 K N 0.191 120.462 120.400 -0.214 0.000 2.002 369 K HA -0.069 4.250 4.320 -0.000 0.000 0.209 369 K C 2.574 179.049 176.600 -0.207 0.000 1.048 369 K CA 1.453 57.631 56.287 -0.182 0.000 0.930 369 K CB -0.336 32.087 32.500 -0.129 0.000 0.714 369 K HN 0.173 nan 8.250 nan 0.000 0.438 370 V N 1.946 121.750 119.914 -0.183 0.000 2.287 370 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 370 V C 2.254 178.219 176.094 -0.214 0.000 1.053 370 V CA 1.976 64.187 62.300 -0.148 0.000 1.027 370 V CB -0.418 31.353 31.823 -0.088 0.000 0.646 370 V HN 0.376 nan 8.190 nan 0.000 0.447 371 K N -0.329 119.855 120.400 -0.359 0.000 2.057 371 K HA -0.193 4.126 4.320 -0.000 0.000 0.207 371 K C 2.403 178.636 176.600 -0.611 0.000 1.049 371 K CA 1.515 57.502 56.287 -0.500 0.000 0.931 371 K CB -0.264 31.783 32.500 -0.754 0.000 0.714 371 K HN 0.323 nan 8.250 nan 0.000 0.440 372 R N 1.722 121.771 120.500 -0.751 0.000 2.073 372 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 372 R C 1.810 178.031 176.300 -0.131 0.000 1.134 372 R CA 1.686 57.563 56.100 -0.371 0.000 0.952 372 R CB 0.036 30.203 30.300 -0.221 0.000 0.850 372 R HN 0.242 nan 8.270 nan 0.000 0.433 373 E N 0.366 120.484 120.200 -0.138 0.000 2.106 373 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 373 E C 1.969 178.544 176.600 -0.042 0.000 0.984 373 E CA 1.018 57.376 56.400 -0.070 0.000 0.806 373 E CB -0.127 29.529 29.700 -0.074 0.000 0.750 373 E HN 0.204 nan 8.360 nan 0.000 0.458 374 L N 1.736 122.922 121.223 -0.061 0.000 2.017 374 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 374 L C 2.255 179.135 176.870 0.017 0.000 1.073 374 L CA 1.940 56.766 54.840 -0.024 0.000 0.745 374 L CB -0.410 41.629 42.059 -0.035 0.000 0.894 374 L HN 0.067 nan 8.230 nan 0.000 0.432 375 E N -0.587 119.632 120.200 0.031 0.000 2.058 375 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 375 E C 2.079 178.727 176.600 0.080 0.000 0.997 375 E CA 1.326 57.780 56.400 0.090 0.000 0.801 375 E CB -0.216 29.585 29.700 0.169 0.000 0.746 375 E HN 0.624 nan 8.360 nan 0.000 0.450 376 A N 0.951 123.807 122.820 0.060 0.000 1.902 376 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 376 A C 2.219 179.835 177.584 0.054 0.000 1.181 376 A CA 1.263 53.331 52.037 0.052 0.000 0.623 376 A CB -0.668 18.352 19.000 0.033 0.000 0.818 376 A HN 0.317 nan 8.150 nan 0.000 0.443 377 L N -0.780 120.474 121.223 0.052 0.000 2.093 377 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 377 L C 2.553 179.500 176.870 0.128 0.000 1.085 377 L CA 0.856 55.737 54.840 0.069 0.000 0.755 377 L CB -0.501 41.590 42.059 0.054 0.000 0.904 377 L HN 0.372 nan 8.230 nan 0.000 0.435 378 L N -0.300 121.009 121.223 0.143 0.000 2.042 378 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 378 L C 2.660 179.656 176.870 0.210 0.000 1.076 378 L CA 1.522 56.510 54.840 0.246 0.000 0.749 378 L CB -0.440 41.718 42.059 0.165 0.000 0.893 378 L HN 0.218 nan 8.230 nan 0.000 0.432 379 K N -0.213 120.259 120.400 0.120 0.000 2.025 379 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 379 K C 2.043 178.665 176.600 0.038 0.000 1.049 379 K CA 1.527 57.858 56.287 0.073 0.000 0.933 379 K CB -0.180 32.355 32.500 0.058 0.000 0.714 379 K HN 0.279 nan 8.250 nan 0.000 0.438 380 E N 1.274 121.500 120.200 0.042 0.000 2.160 380 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 380 E C 1.302 177.894 176.600 -0.013 0.000 0.991 380 E CA 1.196 57.606 56.400 0.016 0.000 0.810 380 E CB 0.195 29.910 29.700 0.025 0.000 0.742 380 E HN 0.307 nan 8.360 nan 0.000 0.466 381 Q N -1.127 118.671 119.800 -0.003 0.000 2.246 381 Q HA 0.152 4.492 4.340 -0.000 0.000 0.202 381 Q C 0.573 176.337 176.000 -0.394 0.000 0.883 381 Q CA 0.314 56.044 55.803 -0.122 0.000 0.952 381 Q CB 1.045 29.805 28.738 0.037 0.000 1.078 381 Q HN 0.446 nan 8.270 nan 0.000 0.493 382 G N 0.826 109.485 108.800 -0.234 0.000 2.160 382 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 382 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 382 G C -0.236 174.489 174.900 -0.292 0.000 1.008 382 G CA -0.179 44.768 45.100 -0.256 0.000 0.724 382 G HN 0.331 nan 8.290 nan 0.000 0.514 383 F N 0.297 120.253 119.950 0.010 0.000 2.404 383 F HA 0.510 5.036 4.527 -0.000 0.000 0.345 383 F C 1.775 177.584 175.800 0.016 0.000 1.110 383 F CA 0.082 58.089 58.000 0.012 0.000 1.130 383 F CB 1.593 40.599 39.000 0.011 0.000 1.129 383 F HN -0.009 nan 8.300 nan 0.000 0.500 384 G N 1.931 110.853 108.800 0.203 0.000 2.471 384 G HA2 0.342 4.302 3.960 -0.000 0.000 0.219 384 G HA3 0.342 4.302 3.960 -0.000 0.000 0.219 384 G C 0.514 175.485 174.900 0.118 0.000 1.125 384 G CA 0.715 45.888 45.100 0.122 0.000 0.775 384 G HN 1.002 nan 8.290 nan 0.000 0.548 385 G N -2.185 106.699 108.800 0.140 0.000 2.349 385 G HA2 0.303 4.262 3.960 -0.000 0.000 0.294 385 G HA3 0.303 4.262 3.960 -0.000 0.000 0.294 385 G C 0.432 175.352 174.900 0.034 0.000 1.380 385 G CA 0.098 45.250 45.100 0.087 0.000 0.811 385 G HN 0.138 nan 8.290 nan 0.000 0.519 386 V N 0.392 120.307 119.914 0.001 0.000 2.282 386 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 386 V C 3.156 179.193 176.094 -0.095 0.000 1.057 386 V CA 3.099 65.360 62.300 -0.065 0.000 1.032 386 V CB -1.022 30.784 31.823 -0.030 0.000 0.645 386 V HN 0.885 nan 8.190 nan 0.000 0.447 387 T N -0.417 114.114 114.554 -0.037 0.000 2.699 387 T HA -0.233 4.116 4.350 -0.000 0.000 0.268 387 T C 1.601 176.282 174.700 -0.032 0.000 1.036 387 T CA 1.774 63.856 62.100 -0.030 0.000 1.147 387 T CB -0.434 68.437 68.868 0.005 0.000 0.862 387 T HN 0.530 nan 8.240 nan 0.000 0.446 388 D N 1.169 121.570 120.400 0.001 0.000 2.219 388 D HA 0.029 4.669 4.640 -0.000 0.000 0.205 388 D C 2.145 178.423 176.300 -0.038 0.000 0.970 388 D CA 0.964 55.007 54.000 0.072 0.000 0.851 388 D CB -0.187 40.747 40.800 0.222 0.000 0.943 388 D HN 0.470 nan 8.370 nan 0.000 0.488 389 A N 0.504 123.085 122.820 -0.397 0.000 2.132 389 A HA 0.084 4.404 4.320 -0.000 0.000 0.213 389 A C 1.269 178.609 177.584 -0.406 0.000 1.154 389 A CA -0.227 51.286 52.037 -0.873 0.000 0.753 389 A CB -0.208 18.021 19.000 -1.285 0.000 0.826 389 A HN 0.119 nan 8.150 nan 0.000 0.469 390 I N 0.883 121.311 120.570 -0.236 0.000 2.752 390 I HA 0.149 4.319 4.170 -0.000 0.000 0.286 390 I C 1.542 177.555 176.117 -0.173 0.000 1.180 390 I CA 1.237 62.429 61.300 -0.181 0.000 1.404 390 I CB -0.205 37.735 38.000 -0.100 0.000 1.389 390 I HN 0.456 nan 8.210 nan 0.000 0.549 391 G N 4.561 113.171 108.800 -0.318 0.000 2.155 391 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 391 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 391 G C 1.134 176.020 174.900 -0.022 0.000 0.983 391 G CA 0.478 45.342 45.100 -0.394 0.000 0.676 391 G HN 0.879 nan 8.290 nan 0.000 0.528 392 A N 0.184 122.987 122.820 -0.027 0.000 1.948 392 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 392 A C 2.054 179.693 177.584 0.091 0.000 1.177 392 A CA 2.366 54.455 52.037 0.086 0.000 0.636 392 A CB -0.359 18.736 19.000 0.158 0.000 0.815 392 A HN 0.443 nan 8.150 nan 0.000 0.449 393 D N -0.812 119.600 120.400 0.020 0.000 2.178 393 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 393 D C 1.573 177.824 176.300 -0.082 0.000 0.980 393 D CA 1.147 55.113 54.000 -0.057 0.000 0.842 393 D CB -0.519 40.180 40.800 -0.169 0.000 0.948 393 D HN 0.666 nan 8.370 nan 0.000 0.472 394 H N 0.018 119.098 119.070 0.017 0.000 2.524 394 H HA 0.122 4.678 4.556 -0.000 0.000 0.282 394 H C 1.347 176.720 175.328 0.074 0.000 1.016 394 H CA 0.573 56.663 56.048 0.071 0.000 1.270 394 H CB 0.434 30.295 29.762 0.164 0.000 1.394 394 H HN 0.138 nan 8.280 nan 0.000 0.568 395 R N 1.276 121.877 120.500 0.169 0.000 2.334 395 R HA 0.091 4.431 4.340 -0.000 0.000 0.216 395 R C 0.875 177.221 176.300 0.078 0.000 0.905 395 R CA -0.162 56.011 56.100 0.121 0.000 1.064 395 R CB 0.608 30.982 30.300 0.123 0.000 1.046 395 R HN 0.323 nan 8.270 nan 0.000 0.508 396 R N 0.000 120.535 120.500 0.058 0.000 2.786 396 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 396 R CA 0.000 56.121 56.100 0.035 0.000 0.921 396 R CB 0.000 30.315 30.300 0.025 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535