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 1ad3_1_A DATA FIRST_RESID 2 DATA SEQUENCE SISDTVKRAR EAFNSGKTRS LQFRIQQLEA LQRMINENLK SISGALASDL DATA SEQUENCE GKNEWTSYYE EVAHVLEELD TTIKELPDWA EDEPVAKTRQ TQQDDLYIHS DATA SEQUENCE EPLGVVLVIG AWNYPFNLTI QPMVGAVAAG NAVILKPSEV SGHMADLLAT DATA SEQUENCE LIPQYMDQNL YLVVKGGVPE TTELLKERFD HIMYTGSTAV GKIVMAAAAK DATA SEQUENCE HLTPVTLELG GKSPCYVDKD CDLDVACRRI AWGKFMNSGQ TCVAPDYILC DATA SEQUENCE DPSIQNQIVE KLKKSLKDFY GEDAKQSRDY GRIINDRHFQ RVKGLIDNQK DATA SEQUENCE VAHGGTWDQS SRYIAPTILV DVDPQSPVMQ EEIFGPVMPI VCVRSLEEAI DATA SEQUENCE QFINQREKPL ALYVFSNNEK VIKKMIAETS SGGVTANDVI VHITVPTLPF DATA SEQUENCE GGVGNSGMGA YHGKKSFETF SHRRSCLVKS LLNEEAHKAR YPPSPA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.017 0.000 1.055 2 S CA 0.000 58.208 58.200 0.013 0.000 1.107 2 S CB 0.000 63.210 63.200 0.016 0.000 0.593 3 I N 3.667 124.250 120.570 0.023 0.000 2.264 3 I HA -0.483 nan 4.170 nan 0.000 0.248 3 I C 0.829 176.958 176.117 0.020 0.000 1.111 3 I CA 3.994 65.314 61.300 0.034 0.000 1.382 3 I CB -0.003 38.025 38.000 0.046 0.000 1.060 3 I HN -0.013 8.210 8.210 0.022 0.000 0.418 4 S N 0.435 116.137 115.700 0.003 0.000 2.359 4 S HA -0.426 nan 4.470 nan 0.000 0.224 4 S C 1.735 176.321 174.600 -0.024 0.000 1.035 4 S CA 3.703 61.890 58.200 -0.022 0.000 1.018 4 S CB -0.508 62.680 63.200 -0.020 0.000 0.876 4 S HN 0.376 8.696 8.310 0.008 -0.005 0.448 5 D N 2.077 122.471 120.400 -0.009 0.000 2.149 5 D HA -0.254 nan 4.640 nan 0.000 0.198 5 D C 2.090 178.389 176.300 -0.003 0.000 0.990 5 D CA 3.238 57.233 54.000 -0.007 0.000 0.839 5 D CB -0.708 40.092 40.800 0.000 0.000 0.948 5 D HN 0.009 8.287 8.370 -0.003 0.091 0.460 6 T N 3.319 117.878 114.554 0.008 0.000 2.737 6 T HA -0.172 nan 4.350 nan 0.000 0.265 6 T C 2.180 176.889 174.700 0.015 0.000 1.038 6 T CA 4.471 66.583 62.100 0.021 0.000 1.144 6 T CB -0.219 68.673 68.868 0.040 0.000 0.866 6 T HN -0.143 7.988 8.240 0.012 0.116 0.434 7 V N 2.412 122.326 119.914 -0.002 0.000 2.407 7 V HA -0.459 nan 4.120 nan 0.000 0.248 7 V C 1.579 177.631 176.094 -0.069 0.000 1.055 7 V CA 4.569 66.841 62.300 -0.048 0.000 1.049 7 V CB -1.085 30.641 31.823 -0.162 0.000 0.662 7 V HN 0.130 8.320 8.190 -0.001 0.000 0.455 8 K N -1.001 119.364 120.400 -0.058 0.000 2.002 8 K HA -0.388 nan 4.320 nan 0.000 0.209 8 K C 1.768 178.352 176.600 -0.026 0.000 1.048 8 K CA 3.813 60.072 56.287 -0.047 0.000 0.930 8 K CB -0.384 32.093 32.500 -0.037 0.000 0.714 8 K HN 0.203 8.422 8.250 -0.051 0.000 0.438 9 R N -0.936 119.554 120.500 -0.016 0.000 2.103 9 R HA -0.392 nan 4.340 nan 0.000 0.242 9 R C 2.223 178.517 176.300 -0.009 0.000 1.142 9 R CA 3.240 59.334 56.100 -0.009 0.000 0.960 9 R CB -0.087 30.212 30.300 -0.002 0.000 0.858 9 R HN -0.110 8.151 8.270 -0.014 0.000 0.439 10 A N -2.435 120.381 122.820 -0.007 0.000 1.898 10 A HA -0.204 nan 4.320 nan 0.000 0.216 10 A C 1.958 179.557 177.584 0.024 0.000 1.181 10 A CA 2.823 54.857 52.037 -0.005 0.000 0.620 10 A CB -0.759 18.244 19.000 0.006 0.000 0.819 10 A HN -0.426 7.715 8.150 -0.005 0.006 0.442 11 R N -1.043 119.466 120.500 0.015 0.000 2.075 11 R HA -0.337 nan 4.340 nan 0.000 0.232 11 R C 2.148 178.499 176.300 0.085 0.000 1.126 11 R CA 3.416 59.551 56.100 0.058 0.000 0.963 11 R CB -0.019 30.277 30.300 -0.006 0.000 0.858 11 R HN -0.115 8.147 8.270 -0.014 0.000 0.435 12 E N -0.898 119.316 120.200 0.024 0.000 2.110 12 E HA -0.354 nan 4.350 nan 0.000 0.193 12 E C 2.285 178.875 176.600 -0.017 0.000 0.988 12 E CA 2.747 59.147 56.400 -0.000 0.000 0.804 12 E CB -0.283 29.408 29.700 -0.015 0.000 0.745 12 E HN 0.071 8.434 8.360 0.005 0.000 0.458 13 A N -1.283 121.531 122.820 -0.010 0.000 1.930 13 A HA -0.206 nan 4.320 nan 0.000 0.217 13 A C 1.536 179.089 177.584 -0.052 0.000 1.175 13 A CA 2.760 54.771 52.037 -0.043 0.000 0.627 13 A CB -0.614 18.359 19.000 -0.046 0.000 0.815 13 A HN -0.513 7.630 8.150 0.001 0.008 0.443 14 F N -0.964 118.931 119.950 -0.090 0.000 2.186 14 F HA -0.330 nan 4.527 nan 0.000 0.299 14 F C 1.693 177.456 175.800 -0.062 0.000 1.090 14 F CA 2.791 60.745 58.000 -0.077 0.000 1.307 14 F CB 0.244 39.212 39.000 -0.053 0.000 1.019 14 F HN -0.351 7.958 8.300 0.156 0.084 0.489 15 N N 0.279 118.831 118.700 -0.245 0.000 2.443 15 N HA -0.230 nan 4.740 nan 0.000 0.184 15 N C 1.189 176.532 175.510 -0.278 0.000 1.037 15 N CA 2.404 55.282 53.050 -0.287 0.000 0.896 15 N CB -0.807 37.631 38.487 -0.080 0.000 0.959 15 N HN 0.005 8.312 8.380 0.005 0.076 0.442 16 S N -1.028 114.528 115.700 -0.241 0.000 2.419 16 S HA -0.134 nan 4.470 nan 0.000 0.233 16 S C 1.165 175.624 174.600 -0.235 0.000 1.016 16 S CA 1.503 59.586 58.200 -0.196 0.000 0.974 16 S CB 0.728 63.827 63.200 -0.169 0.000 0.786 16 S HN -0.581 7.418 8.310 -0.216 0.182 0.492 17 G N 2.086 110.680 108.800 -0.344 0.000 2.175 17 G HA2 -0.378 nan 3.960 nan 0.000 0.244 17 G HA3 -0.378 nan 3.960 nan 0.000 0.244 17 G C 0.981 175.725 174.900 -0.260 0.000 0.982 17 G CA 0.101 45.013 45.100 -0.312 0.000 0.641 17 G HN -0.174 7.721 8.290 -0.448 0.126 0.527 18 K N 0.660 120.875 120.400 -0.308 0.000 2.103 18 K HA -0.295 nan 4.320 nan 0.000 0.207 18 K C 1.520 177.826 176.600 -0.490 0.000 1.048 18 K CA 2.683 58.717 56.287 -0.422 0.000 0.930 18 K CB -0.707 31.453 32.500 -0.567 0.000 0.716 18 K HN 0.019 8.024 8.250 -0.306 0.061 0.444 19 T N -5.077 109.296 114.554 -0.302 0.000 3.098 19 T HA 0.022 nan 4.350 nan 0.000 0.266 19 T C 1.600 176.379 174.700 0.131 0.000 1.145 19 T CA 1.858 63.982 62.100 0.041 0.000 1.092 19 T CB -0.974 68.051 68.868 0.262 0.000 0.908 19 T HN 0.145 8.204 8.240 -0.270 0.019 0.526 20 R N -0.023 120.489 120.500 0.019 0.000 2.189 20 R HA -0.065 nan 4.340 nan 0.000 0.223 20 R C 0.703 177.068 176.300 0.108 0.000 1.092 20 R CA -0.149 55.993 56.100 0.070 0.000 0.989 20 R CB -0.725 29.584 30.300 0.014 0.000 0.876 20 R HN -0.144 7.890 8.270 -0.087 0.184 0.457 21 S N 0.305 116.069 115.700 0.106 0.000 2.455 21 S HA -0.026 nan 4.470 nan 0.000 0.278 21 S C 0.710 175.439 174.600 0.216 0.000 1.216 21 S CA -0.789 57.498 58.200 0.145 0.000 1.055 21 S CB 0.416 63.699 63.200 0.138 0.000 0.939 21 S HN -0.694 7.608 8.310 0.052 0.039 0.494 22 L N 7.868 129.191 121.223 0.167 0.000 2.131 22 L HA -0.309 nan 4.340 nan 0.000 0.210 22 L C 1.437 178.391 176.870 0.140 0.000 1.092 22 L CA 3.272 58.207 54.840 0.157 0.000 0.759 22 L CB -0.268 41.860 42.059 0.116 0.000 0.903 22 L HN 0.788 9.100 8.230 0.136 0.000 0.435 23 Q N -2.077 117.804 119.800 0.135 0.000 2.084 23 Q HA -0.322 nan 4.340 nan 0.000 0.202 23 Q C 2.222 178.307 176.000 0.142 0.000 0.978 23 Q CA 3.026 58.896 55.803 0.112 0.000 0.844 23 Q CB -0.677 28.124 28.738 0.104 0.000 0.898 23 Q HN -0.204 8.120 8.270 0.135 0.027 0.426 24 F N 0.738 120.727 119.950 0.064 0.000 2.046 24 F HA -0.423 nan 4.527 nan 0.000 0.297 24 F C 1.227 177.081 175.800 0.091 0.000 1.123 24 F CA 3.026 61.074 58.000 0.079 0.000 1.199 24 F CB 0.082 39.136 39.000 0.091 0.000 0.972 24 F HN -0.848 7.557 8.300 0.336 0.097 0.474 25 R N -1.547 119.026 120.500 0.122 0.000 2.103 25 R HA -0.463 nan 4.340 nan 0.000 0.242 25 R C 2.645 178.895 176.300 -0.083 0.000 1.142 25 R CA 3.651 59.760 56.100 0.014 0.000 0.960 25 R CB -0.311 30.091 30.300 0.170 0.000 0.858 25 R HN -0.507 7.975 8.270 0.354 0.000 0.439 26 I N -1.071 119.479 120.570 -0.034 0.000 2.226 26 I HA -0.440 nan 4.170 nan 0.000 0.245 26 I C 2.301 178.363 176.117 -0.092 0.000 1.100 26 I CA 2.591 63.860 61.300 -0.051 0.000 1.374 26 I CB -1.293 36.692 38.000 -0.024 0.000 1.057 26 I HN -0.267 7.956 8.210 0.022 0.000 0.413 27 Q N -0.759 118.967 119.800 -0.122 0.000 2.050 27 Q HA -0.394 nan 4.340 nan 0.000 0.202 27 Q C 2.921 178.809 176.000 -0.187 0.000 0.980 27 Q CA 3.298 59.023 55.803 -0.131 0.000 0.840 27 Q CB -0.278 28.387 28.738 -0.121 0.000 0.898 27 Q HN -0.273 7.848 8.270 -0.112 0.082 0.424 28 Q N -0.551 119.044 119.800 -0.342 0.000 2.050 28 Q HA -0.280 nan 4.340 nan 0.000 0.202 28 Q C 2.708 178.571 176.000 -0.229 0.000 0.980 28 Q CA 2.617 58.218 55.803 -0.337 0.000 0.840 28 Q CB -0.351 28.081 28.738 -0.508 0.000 0.898 28 Q HN -0.065 7.925 8.270 -0.466 0.000 0.424 29 L N -0.688 120.420 121.223 -0.191 0.000 2.079 29 L HA -0.360 nan 4.340 nan 0.000 0.210 29 L C 2.287 179.100 176.870 -0.095 0.000 1.081 29 L CA 3.187 57.950 54.840 -0.129 0.000 0.752 29 L CB -0.284 41.725 42.059 -0.084 0.000 0.896 29 L HN 0.492 8.497 8.230 -0.197 0.107 0.433 30 E N -1.570 118.582 120.200 -0.082 0.000 2.274 30 E HA -0.307 nan 4.350 nan 0.000 0.194 30 E C 2.238 178.822 176.600 -0.027 0.000 0.996 30 E CA 2.799 59.170 56.400 -0.049 0.000 0.840 30 E CB -0.365 29.312 29.700 -0.037 0.000 0.772 30 E HN -0.026 8.178 8.360 -0.096 0.099 0.491 31 A N 1.092 123.894 122.820 -0.031 0.000 1.873 31 A HA -0.179 nan 4.320 nan 0.000 0.215 31 A C 1.774 179.355 177.584 -0.006 0.000 1.186 31 A CA 3.092 55.156 52.037 0.045 0.000 0.616 31 A CB -0.769 18.262 19.000 0.051 0.000 0.823 31 A HN 0.028 7.988 8.150 -0.072 0.147 0.442 32 L N -1.529 119.650 121.223 -0.074 0.000 2.042 32 L HA -0.470 nan 4.340 nan 0.000 0.210 32 L C 1.807 178.611 176.870 -0.109 0.000 1.076 32 L CA 3.099 57.873 54.840 -0.109 0.000 0.749 32 L CB -0.241 41.746 42.059 -0.119 0.000 0.893 32 L HN 0.139 8.313 8.230 -0.093 0.000 0.432 33 Q N -1.711 118.044 119.800 -0.075 0.000 2.079 33 Q HA -0.360 nan 4.340 nan 0.000 0.200 33 Q C 2.116 178.074 176.000 -0.070 0.000 0.974 33 Q CA 3.589 59.359 55.803 -0.055 0.000 0.840 33 Q CB -0.138 28.578 28.738 -0.037 0.000 0.898 33 Q HN -0.252 7.889 8.270 -0.068 0.088 0.430 34 R N -1.963 118.499 120.500 -0.063 0.000 2.189 34 R HA -0.206 nan 4.340 nan 0.000 0.218 34 R C 2.271 178.429 176.300 -0.237 0.000 1.074 34 R CA 2.528 58.603 56.100 -0.042 0.000 0.991 34 R CB -0.620 29.732 30.300 0.087 0.000 0.883 34 R HN -0.129 8.035 8.270 -0.037 0.083 0.457 35 M N 1.446 120.703 119.600 -0.571 0.000 2.132 35 M HA -0.322 nan 4.480 nan 0.000 0.263 35 M C 1.983 178.013 176.300 -0.451 0.000 1.065 35 M CA 3.770 58.391 55.300 -1.131 0.000 1.122 35 M CB 0.070 32.088 32.600 -0.971 0.000 1.365 35 M HN -0.098 7.829 8.290 -0.386 0.132 0.411 36 I N -1.173 119.269 120.570 -0.213 0.000 2.133 36 I HA -0.583 nan 4.170 nan 0.000 0.238 36 I C 2.373 178.434 176.117 -0.093 0.000 1.074 36 I CA 3.703 64.947 61.300 -0.094 0.000 1.342 36 I CB -0.292 37.720 38.000 0.020 0.000 1.053 36 I HN -0.479 7.614 8.210 -0.194 0.000 0.404 37 N N -0.085 118.576 118.700 -0.065 0.000 2.061 37 N HA -0.284 nan 4.740 nan 0.000 0.193 37 N C 2.701 178.191 175.510 -0.033 0.000 1.030 37 N CA 2.912 55.941 53.050 -0.034 0.000 0.856 37 N CB -0.624 37.853 38.487 -0.016 0.000 1.023 37 N HN -0.452 7.887 8.380 -0.067 0.000 0.424 38 E N -2.218 117.964 120.200 -0.030 0.000 2.338 38 E HA -0.167 nan 4.350 nan 0.000 0.197 38 E C 0.574 177.180 176.600 0.010 0.000 1.007 38 E CA 1.936 58.347 56.400 0.018 0.000 0.849 38 E CB 0.064 29.828 29.700 0.107 0.000 0.774 38 E HN -0.291 8.034 8.360 -0.059 0.000 0.506 39 N N -2.553 116.124 118.700 -0.038 0.000 2.291 39 N HA 0.271 nan 4.740 nan 0.000 0.244 39 N C -0.279 175.188 175.510 -0.071 0.000 1.216 39 N CA -0.339 52.691 53.050 -0.033 0.000 0.879 39 N CB 0.769 39.241 38.487 -0.024 0.000 1.167 39 N HN -0.551 7.621 8.380 -0.077 0.161 0.515 40 L N 0.196 121.374 121.223 -0.076 0.000 2.051 40 L HA -0.514 nan 4.340 nan 0.000 0.214 40 L C 1.323 178.148 176.870 -0.075 0.000 1.076 40 L CA 4.499 59.285 54.840 -0.090 0.000 0.758 40 L CB -0.519 41.502 42.059 -0.063 0.000 0.890 40 L HN -0.869 7.326 8.230 -0.059 0.000 0.433 41 K N -1.748 118.625 120.400 -0.045 0.000 2.009 41 K HA -0.348 nan 4.320 nan 0.000 0.210 41 K C 2.365 178.949 176.600 -0.028 0.000 1.049 41 K CA 3.079 59.349 56.287 -0.028 0.000 0.929 41 K CB -1.245 31.247 32.500 -0.013 0.000 0.714 41 K HN 0.255 8.469 8.250 -0.039 0.012 0.440 42 S N 0.787 116.472 115.700 -0.024 0.000 2.356 42 S HA -0.260 nan 4.470 nan 0.000 0.223 42 S C 2.213 176.794 174.600 -0.032 0.000 1.032 42 S CA 3.614 61.807 58.200 -0.012 0.000 1.005 42 S CB -0.675 62.530 63.200 0.008 0.000 0.867 42 S HN -0.690 7.607 8.310 -0.022 0.000 0.449 43 I N 1.540 122.059 120.570 -0.085 0.000 2.163 43 I HA -0.590 nan 4.170 nan 0.000 0.243 43 I C 1.774 177.826 176.117 -0.108 0.000 1.085 43 I CA 4.054 65.262 61.300 -0.153 0.000 1.347 43 I CB -0.279 37.492 38.000 -0.381 0.000 1.044 43 I HN -0.107 8.044 8.210 -0.097 0.000 0.408 44 S N 0.192 115.840 115.700 -0.088 0.000 2.359 44 S HA -0.346 nan 4.470 nan 0.000 0.224 44 S C 2.475 177.064 174.600 -0.019 0.000 1.035 44 S CA 4.602 62.777 58.200 -0.041 0.000 1.018 44 S CB -0.704 62.485 63.200 -0.018 0.000 0.876 44 S HN 0.192 8.445 8.310 -0.095 0.000 0.448 45 G N -0.317 108.471 108.800 -0.020 0.000 2.440 45 G HA2 -0.320 nan 3.960 nan 0.000 0.218 45 G HA3 -0.320 nan 3.960 nan 0.000 0.218 45 G C 0.580 175.460 174.900 -0.034 0.000 1.154 45 G CA 1.895 46.982 45.100 -0.022 0.000 0.767 45 G HN 0.011 8.286 8.290 -0.024 0.000 0.552 46 A N 1.999 124.814 122.820 -0.008 0.000 1.902 46 A HA -0.169 nan 4.320 nan 0.000 0.217 46 A C 2.099 179.702 177.584 0.032 0.000 1.181 46 A CA 2.839 54.895 52.037 0.031 0.000 0.623 46 A CB -0.603 18.444 19.000 0.079 0.000 0.818 46 A HN 0.089 8.162 8.150 -0.007 0.073 0.443 47 L N -2.205 119.031 121.223 0.022 0.000 2.141 47 L HA -0.252 nan 4.340 nan 0.000 0.209 47 L C 2.066 178.944 176.870 0.014 0.000 1.094 47 L CA 1.735 56.594 54.840 0.032 0.000 0.763 47 L CB -1.128 40.944 42.059 0.020 0.000 0.908 47 L HN -0.070 8.071 8.230 0.003 0.091 0.437 48 A N -0.957 121.858 122.820 -0.008 0.000 1.929 48 A HA -0.267 nan 4.320 nan 0.000 0.216 48 A C 2.196 179.750 177.584 -0.051 0.000 1.176 48 A CA 3.339 55.369 52.037 -0.013 0.000 0.628 48 A CB -0.878 18.116 19.000 -0.010 0.000 0.816 48 A HN 0.245 8.257 8.150 -0.014 0.130 0.444 49 S N -2.772 112.846 115.700 -0.136 0.000 2.453 49 S HA -0.277 nan 4.470 nan 0.000 0.231 49 S C 0.992 175.514 174.600 -0.130 0.000 1.005 49 S CA 3.092 61.114 58.200 -0.296 0.000 0.949 49 S CB -0.001 62.706 63.200 -0.822 0.000 0.774 49 S HN -0.266 7.964 8.310 -0.132 0.000 0.510 50 D N -0.696 119.720 120.400 0.027 0.000 2.259 50 D HA 0.074 nan 4.640 nan 0.000 0.216 50 D C 0.811 177.158 176.300 0.078 0.000 0.961 50 D CA 1.959 56.042 54.000 0.140 0.000 0.878 50 D CB 1.254 42.160 40.800 0.177 0.000 1.009 50 D HN -0.630 7.606 8.370 0.005 0.137 0.490 51 L N -4.403 116.849 121.223 0.049 0.000 3.429 51 L HA 0.282 nan 4.340 nan 0.000 0.311 51 L C -0.289 176.591 176.870 0.017 0.000 1.274 51 L CA -0.670 54.187 54.840 0.029 0.000 1.037 51 L CB 1.706 43.775 42.059 0.016 0.000 1.433 51 L HN -0.326 7.928 8.230 0.039 0.000 0.614 52 G N 0.382 109.196 108.800 0.024 0.000 2.371 52 G HA2 -0.490 nan 3.960 nan 0.000 0.299 52 G HA3 -0.490 nan 3.960 nan 0.000 0.299 52 G C -0.735 174.194 174.900 0.048 0.000 1.014 52 G CA 0.769 45.891 45.100 0.037 0.000 1.097 52 G HN -0.070 8.164 8.290 0.017 0.067 0.512 53 K N -0.854 119.571 120.400 0.042 0.000 2.109 53 K HA 0.475 nan 4.320 nan 0.000 0.243 53 K C -0.988 175.668 176.600 0.093 0.000 1.006 53 K CA -0.828 55.499 56.287 0.067 0.000 0.917 53 K CB 1.722 34.249 32.500 0.046 0.000 1.081 53 K HN -0.871 7.397 8.250 0.029 0.000 0.468 54 N N 0.120 118.907 118.700 0.145 0.000 2.402 54 N HA 0.216 nan 4.740 nan 0.000 0.294 54 N C 0.592 176.211 175.510 0.182 0.000 1.203 54 N CA -1.832 51.313 53.050 0.159 0.000 0.838 54 N CB 1.399 40.002 38.487 0.193 0.000 1.306 54 N HN 0.467 8.954 8.380 0.178 0.000 0.510 55 E N -0.066 120.228 120.200 0.157 0.000 2.233 55 E HA -0.505 nan 4.350 nan 0.000 0.210 55 E C 1.797 178.543 176.600 0.244 0.000 1.046 55 E CA 4.347 60.838 56.400 0.152 0.000 0.844 55 E CB -0.318 29.456 29.700 0.123 0.000 0.741 55 E HN 0.602 9.039 8.360 0.128 0.000 0.465 56 W N -0.347 121.035 121.300 0.136 0.000 2.444 56 W HA -0.170 nan 4.660 nan 0.000 0.308 56 W C 1.499 178.196 176.519 0.297 0.000 1.183 56 W CA 3.990 61.483 57.345 0.246 0.000 1.340 56 W CB 0.295 29.869 29.460 0.191 0.000 1.138 56 W HN -0.181 8.441 8.180 0.456 -0.169 0.510 57 T N -1.287 113.426 114.554 0.264 0.000 2.788 57 T HA -0.410 nan 4.350 nan 0.000 0.268 57 T C 2.457 177.152 174.700 -0.007 0.000 1.044 57 T CA 4.036 66.151 62.100 0.026 0.000 1.139 57 T CB -0.925 68.053 68.868 0.184 0.000 0.867 57 T HN -0.360 8.445 8.240 0.479 -0.277 0.454 58 S N 3.880 119.612 115.700 0.053 0.000 2.354 58 S HA -0.333 nan 4.470 nan 0.000 0.219 58 S C 1.326 175.897 174.600 -0.049 0.000 1.035 58 S CA 4.283 62.492 58.200 0.016 0.000 1.037 58 S CB -0.304 62.909 63.200 0.022 0.000 0.956 58 S HN 0.021 8.389 8.310 0.113 0.009 0.428 59 Y N 2.655 122.836 120.300 -0.199 0.000 2.070 59 Y HA -0.485 nan 4.550 nan 0.000 0.280 59 Y C 1.854 177.441 175.900 -0.521 0.000 1.148 59 Y CA 4.133 62.013 58.100 -0.367 0.000 1.125 59 Y CB 0.138 38.328 38.460 -0.451 0.000 0.975 59 Y HN -0.753 7.588 8.280 0.101 0.000 0.492 60 Y N -4.139 115.973 120.300 -0.313 0.000 2.352 60 Y HA -0.355 nan 4.550 nan 0.000 0.292 60 Y C 1.997 177.607 175.900 -0.484 0.000 1.136 60 Y CA 3.246 61.050 58.100 -0.493 0.000 1.227 60 Y CB -0.088 37.982 38.460 -0.649 0.000 0.991 60 Y HN 0.076 8.250 8.280 -0.176 0.000 0.545 61 E N -2.712 117.366 120.200 -0.203 0.000 2.276 61 E HA -0.078 nan 4.350 nan 0.000 0.193 61 E C 1.099 177.713 176.600 0.024 0.000 0.983 61 E CA 2.333 58.709 56.400 -0.039 0.000 0.861 61 E CB 1.021 30.783 29.700 0.103 0.000 0.817 61 E HN -0.022 8.133 8.360 -0.177 0.099 0.485 62 E N -1.118 119.058 120.200 -0.039 0.000 2.645 62 E HA 0.125 nan 4.350 nan 0.000 0.198 62 E C 2.261 178.839 176.600 -0.036 0.000 1.091 62 E CA 1.535 57.986 56.400 0.085 0.000 1.096 62 E CB 1.222 31.055 29.700 0.223 0.000 2.013 62 E HN -0.088 8.197 8.360 -0.125 0.000 0.537 63 V N 1.923 121.788 119.914 -0.083 0.000 2.313 63 V HA -0.409 nan 4.120 nan 0.000 0.253 63 V C 1.878 177.743 176.094 -0.380 0.000 1.070 63 V CA 4.205 66.416 62.300 -0.149 0.000 1.057 63 V CB -0.980 30.673 31.823 -0.283 0.000 0.653 63 V HN -0.281 7.858 8.190 -0.085 0.000 0.450 64 A N -2.781 119.538 122.820 -0.835 0.000 2.121 64 A HA -0.287 nan 4.320 nan 0.000 0.218 64 A C 2.096 179.376 177.584 -0.507 0.000 1.154 64 A CA 2.786 54.240 52.037 -0.972 0.000 0.679 64 A CB -0.669 17.484 19.000 -1.412 0.000 0.795 64 A HN 0.365 7.864 8.150 -0.894 0.115 0.458 65 H N -1.400 117.501 119.070 -0.280 0.000 2.384 65 H HA -0.206 nan 4.556 nan 0.000 0.300 65 H C 2.367 177.593 175.328 -0.170 0.000 1.057 65 H CA 3.245 59.161 56.048 -0.220 0.000 1.370 65 H CB 0.362 29.981 29.762 -0.239 0.000 1.417 65 H HN 0.004 7.881 8.280 -0.397 0.165 0.527 66 V N 0.671 120.592 119.914 0.010 0.000 2.343 66 V HA -0.413 nan 4.120 nan 0.000 0.247 66 V C 1.528 177.616 176.094 -0.011 0.000 1.051 66 V CA 4.783 67.087 62.300 0.007 0.000 1.036 66 V CB -0.952 30.909 31.823 0.063 0.000 0.654 66 V HN -0.601 7.603 8.190 0.023 0.000 0.451 67 L N -2.754 118.447 121.223 -0.037 0.000 2.131 67 L HA -0.457 nan 4.340 nan 0.000 0.210 67 L C 2.082 178.928 176.870 -0.041 0.000 1.092 67 L CA 3.543 58.358 54.840 -0.042 0.000 0.759 67 L CB -0.640 41.378 42.059 -0.068 0.000 0.903 67 L HN -0.269 7.923 8.230 -0.064 0.000 0.435 68 E N -0.448 119.721 120.200 -0.053 0.000 2.107 68 E HA -0.380 nan 4.350 nan 0.000 0.191 68 E C 1.930 178.519 176.600 -0.018 0.000 0.982 68 E CA 3.185 59.565 56.400 -0.034 0.000 0.809 68 E CB -0.205 29.478 29.700 -0.029 0.000 0.756 68 E HN -0.603 7.601 8.360 -0.073 0.112 0.459 69 E N 0.688 120.877 120.200 -0.019 0.000 2.023 69 E HA -0.310 nan 4.350 nan 0.000 0.196 69 E C 2.187 178.805 176.600 0.029 0.000 1.003 69 E CA 2.793 59.202 56.400 0.015 0.000 0.809 69 E CB -0.372 29.337 29.700 0.014 0.000 0.755 69 E HN -0.577 7.695 8.360 -0.032 0.068 0.449 70 L N -1.548 119.680 121.223 0.008 0.000 2.021 70 L HA -0.494 nan 4.340 nan 0.000 0.215 70 L C 2.174 179.028 176.870 -0.026 0.000 1.074 70 L CA 3.409 58.246 54.840 -0.005 0.000 0.760 70 L CB -0.298 41.750 42.059 -0.018 0.000 0.889 70 L HN 0.319 8.549 8.230 -0.000 0.000 0.433 71 D N -2.166 118.216 120.400 -0.028 0.000 2.117 71 D HA -0.244 nan 4.640 nan 0.000 0.197 71 D C 2.407 178.667 176.300 -0.066 0.000 0.987 71 D CA 3.722 57.696 54.000 -0.043 0.000 0.829 71 D CB 0.092 40.873 40.800 -0.031 0.000 0.961 71 D HN -0.353 8.000 8.370 -0.022 0.004 0.460 72 T N 1.796 116.324 114.554 -0.043 0.000 2.674 72 T HA -0.307 nan 4.350 nan 0.000 0.265 72 T C 1.981 176.562 174.700 -0.198 0.000 1.039 72 T CA 4.934 67.000 62.100 -0.058 0.000 1.150 72 T CB -0.431 68.466 68.868 0.047 0.000 0.864 72 T HN -0.099 8.131 8.240 -0.016 0.000 0.427 73 T N 2.151 116.613 114.554 -0.155 0.000 2.821 73 T HA -0.218 nan 4.350 nan 0.000 0.267 73 T C 1.829 176.321 174.700 -0.346 0.000 1.046 73 T CA 4.103 65.989 62.100 -0.357 0.000 1.139 73 T CB -0.783 68.125 68.868 0.066 0.000 0.871 73 T HN -0.241 7.987 8.240 -0.021 0.000 0.454 74 I N 1.009 121.468 120.570 -0.184 0.000 2.226 74 I HA -0.495 nan 4.170 nan 0.000 0.245 74 I C 2.014 178.010 176.117 -0.202 0.000 1.100 74 I CA 3.329 64.539 61.300 -0.150 0.000 1.374 74 I CB -0.097 37.846 38.000 -0.094 0.000 1.057 74 I HN 0.141 8.275 8.210 -0.126 0.000 0.413 75 K N -1.514 118.749 120.400 -0.227 0.000 2.076 75 K HA -0.166 nan 4.320 nan 0.000 0.204 75 K C 1.724 178.120 176.600 -0.341 0.000 1.051 75 K CA 2.850 59.001 56.287 -0.226 0.000 0.949 75 K CB 0.354 32.753 32.500 -0.168 0.000 0.726 75 K HN -0.686 7.432 8.250 -0.211 0.005 0.443 76 E N -1.820 118.033 120.200 -0.577 0.000 2.442 76 E HA -0.029 nan 4.350 nan 0.000 0.195 76 E C 1.702 177.631 176.600 -1.118 0.000 1.030 76 E CA 0.691 56.568 56.400 -0.873 0.000 0.869 76 E CB 0.592 29.613 29.700 -1.131 0.000 0.857 76 E HN -0.347 7.655 8.360 -0.598 0.000 0.505 77 L N 0.838 121.535 121.223 -0.877 0.000 2.034 77 L HA -0.297 nan 4.340 nan 0.000 0.217 77 L C -1.466 175.249 176.870 -0.259 0.000 1.077 77 L CA 5.646 60.189 54.840 -0.496 0.000 0.769 77 L CB -2.073 39.876 42.059 -0.183 0.000 0.890 77 L HN 0.226 7.922 8.230 -0.737 0.092 0.435 78 P HA -0.286 nan 4.420 nan 0.000 0.216 78 P C 1.568 178.822 177.300 -0.076 0.000 1.153 78 P CA 3.279 66.325 63.100 -0.091 0.000 0.858 78 P CB -0.599 31.048 31.700 -0.087 0.000 0.789 79 D N -2.859 117.458 120.400 -0.137 0.000 2.149 79 D HA -0.165 nan 4.640 nan 0.000 0.201 79 D C 2.620 178.949 176.300 0.048 0.000 0.972 79 D CA 3.098 57.067 54.000 -0.053 0.000 0.835 79 D CB -0.142 40.617 40.800 -0.068 0.000 0.966 79 D HN -0.488 7.743 8.370 -0.232 0.000 0.476 80 W N -0.232 120.909 121.300 -0.265 0.000 2.388 80 W HA -0.152 nan 4.660 nan 0.000 0.294 80 W C 0.950 177.239 176.519 -0.383 0.000 1.212 80 W CA 1.046 58.099 57.345 -0.486 0.000 1.271 80 W CB -0.989 27.869 29.460 -1.004 0.000 1.126 80 W HN -0.188 7.783 8.180 -0.207 0.085 0.535 81 A N -4.724 118.109 122.820 0.023 0.000 2.066 81 A HA -0.069 nan 4.320 nan 0.000 0.218 81 A C 0.236 177.910 177.584 0.149 0.000 1.157 81 A CA 1.001 53.157 52.037 0.198 0.000 0.670 81 A CB -0.154 18.978 19.000 0.221 0.000 0.804 81 A HN -0.312 7.834 8.150 -0.008 0.000 0.453 82 E N -1.074 119.182 120.200 0.093 0.000 2.436 82 E HA -0.193 nan 4.350 nan 0.000 0.262 82 E C -0.974 175.679 176.600 0.088 0.000 1.063 82 E CA -0.233 56.211 56.400 0.073 0.000 0.944 82 E CB 0.366 30.090 29.700 0.040 0.000 0.950 82 E HN -0.632 7.770 8.360 0.070 0.000 0.444 83 D N 1.750 122.189 120.400 0.065 0.000 2.401 83 D HA -0.112 nan 4.640 nan 0.000 0.254 83 D C -0.615 175.732 176.300 0.079 0.000 1.192 83 D CA 0.636 54.689 54.000 0.088 0.000 0.885 83 D CB 0.179 40.893 40.800 -0.144 0.000 1.147 83 D HN -0.106 8.279 8.370 0.025 0.000 0.478 84 E N 5.040 125.328 120.200 0.146 0.000 2.129 84 E HA 0.293 nan 4.350 nan 0.000 0.283 84 E C -1.682 175.008 176.600 0.150 0.000 1.080 84 E CA -2.519 53.950 56.400 0.116 0.000 0.867 84 E CB 0.891 30.651 29.700 0.099 0.000 1.056 84 E HN -0.125 8.345 8.360 0.184 0.000 0.404 85 P HA 0.147 nan 4.420 nan 0.000 0.272 85 P C -1.476 175.885 177.300 0.103 0.000 1.223 85 P CA -0.011 63.166 63.100 0.128 0.000 0.784 85 P CB 0.667 32.413 31.700 0.077 0.000 0.923 86 V N 1.133 121.108 119.914 0.101 0.000 3.046 86 V HA 0.171 nan 4.120 nan 0.000 0.316 86 V C -0.436 175.688 176.094 0.049 0.000 1.104 86 V CA -1.947 60.391 62.300 0.064 0.000 1.006 86 V CB 2.782 34.636 31.823 0.053 0.000 1.058 86 V HN 0.200 8.465 8.190 0.126 0.000 0.440 87 A N 2.693 125.533 122.820 0.033 0.000 2.454 87 A HA 0.153 nan 4.320 nan 0.000 0.260 87 A C -0.312 177.287 177.584 0.025 0.000 1.106 87 A CA 0.262 52.315 52.037 0.026 0.000 0.780 87 A CB 0.336 19.347 19.000 0.018 0.000 1.044 87 A HN 0.191 8.358 8.150 0.029 0.000 0.498 88 K N 1.588 122.004 120.400 0.026 0.000 2.185 88 K HA 0.298 nan 4.320 nan 0.000 0.271 88 K C 0.131 176.742 176.600 0.017 0.000 1.013 88 K CA -0.232 56.069 56.287 0.024 0.000 0.943 88 K CB 1.129 33.647 32.500 0.029 0.000 0.998 88 K HN 0.068 8.334 8.250 0.027 0.000 0.468 89 T N 1.050 115.613 114.554 0.015 0.000 2.923 89 T HA 0.387 nan 4.350 nan 0.000 0.281 89 T C 1.393 176.101 174.700 0.013 0.000 0.995 89 T CA -2.106 60.000 62.100 0.011 0.000 0.985 89 T CB 1.618 70.489 68.868 0.006 0.000 1.114 89 T HN 0.500 8.749 8.240 0.015 0.000 0.548 90 R N 0.200 120.707 120.500 0.011 0.000 2.083 90 R HA -0.269 nan 4.340 nan 0.000 0.237 90 R C 2.609 178.920 176.300 0.018 0.000 1.137 90 R CA 3.290 59.398 56.100 0.013 0.000 0.951 90 R CB -1.101 29.206 30.300 0.011 0.000 0.851 90 R HN 0.573 8.848 8.270 0.009 0.000 0.434 91 Q N -3.690 116.120 119.800 0.017 0.000 2.226 91 Q HA -0.135 nan 4.340 nan 0.000 0.204 91 Q C 0.615 176.634 176.000 0.033 0.000 0.975 91 Q CA 2.420 58.237 55.803 0.024 0.000 0.866 91 Q CB -0.636 28.110 28.738 0.014 0.000 0.915 91 Q HN 0.351 8.628 8.270 0.012 0.000 0.440 92 T N -7.038 107.532 114.554 0.026 0.000 3.176 92 T HA 0.347 nan 4.350 nan 0.000 0.263 92 T C 1.369 176.089 174.700 0.033 0.000 1.021 92 T CA -1.382 60.736 62.100 0.031 0.000 0.905 92 T CB -0.298 68.583 68.868 0.022 0.000 1.057 92 T HN -0.570 7.529 8.240 0.020 0.153 0.558 93 Q N 2.763 122.581 119.800 0.030 0.000 2.197 93 Q HA -0.370 nan 4.340 nan 0.000 0.207 93 Q C 1.066 177.085 176.000 0.031 0.000 0.984 93 Q CA 3.601 59.421 55.803 0.028 0.000 0.869 93 Q CB -0.378 28.373 28.738 0.022 0.000 0.906 93 Q HN -0.484 7.739 8.270 0.028 0.063 0.426 94 Q N -4.949 114.872 119.800 0.034 0.000 2.319 94 Q HA 0.040 nan 4.340 nan 0.000 0.202 94 Q C -0.091 175.935 176.000 0.044 0.000 0.896 94 Q CA -0.596 55.228 55.803 0.035 0.000 0.942 94 Q CB 0.025 28.781 28.738 0.029 0.000 1.083 94 Q HN 0.186 8.451 8.270 0.037 0.027 0.510 95 D N 0.462 120.891 120.400 0.048 0.000 2.326 95 D HA 0.223 nan 4.640 nan 0.000 0.248 95 D C -1.173 175.167 176.300 0.066 0.000 1.001 95 D CA -0.699 53.334 54.000 0.055 0.000 0.961 95 D CB 2.039 42.868 40.800 0.049 0.000 1.183 95 D HN -0.321 7.886 8.370 0.045 0.190 0.502 96 D N 1.036 121.489 120.400 0.087 0.000 2.232 96 D HA 0.332 nan 4.640 nan 0.000 0.242 96 D C -1.130 175.243 176.300 0.121 0.000 1.093 96 D CA 0.063 54.148 54.000 0.141 0.000 0.845 96 D CB 1.714 42.648 40.800 0.223 0.000 1.124 96 D HN 0.151 8.570 8.370 0.082 0.000 0.467 97 L N 2.883 124.184 121.223 0.130 0.000 2.372 97 L HA 0.813 nan 4.340 nan 0.000 0.273 97 L C -1.904 175.055 176.870 0.148 0.000 0.989 97 L CA -0.807 54.065 54.840 0.053 0.000 0.841 97 L CB 0.761 42.839 42.059 0.031 0.000 1.225 97 L HN 0.406 8.725 8.230 0.149 0.000 0.414 98 Y N -0.951 119.371 120.300 0.037 0.000 2.677 98 Y HA 0.809 nan 4.550 nan 0.000 0.334 98 Y C -2.795 173.140 175.900 0.059 0.000 1.154 98 Y CA -2.932 55.197 58.100 0.048 0.000 1.070 98 Y CB 3.164 41.659 38.460 0.059 0.000 1.294 98 Y HN 0.756 8.832 8.280 -0.339 0.000 0.475 99 I N -0.846 119.918 120.570 0.324 0.000 2.406 99 I HA 0.410 nan 4.170 nan 0.000 0.290 99 I C -2.056 174.265 176.117 0.340 0.000 0.999 99 I CA -1.271 60.151 61.300 0.205 0.000 1.124 99 I CB 2.371 40.431 38.000 0.099 0.000 1.289 99 I HN 0.669 8.989 8.210 0.384 0.120 0.441 100 H N 9.122 128.308 119.070 0.194 0.000 2.476 100 H HA 0.378 nan 4.556 nan 0.000 0.328 100 H C -1.815 173.590 175.328 0.128 0.000 1.073 100 H CA -1.949 54.232 56.048 0.221 0.000 1.229 100 H CB 2.215 32.134 29.762 0.262 0.000 1.432 100 H HN 0.909 9.226 8.280 0.245 0.110 0.477 101 S N 6.399 121.924 115.700 -0.292 0.000 2.541 101 S HA 0.559 nan 4.470 nan 0.000 0.283 101 S C -0.782 173.629 174.600 -0.314 0.000 1.196 101 S CA -0.699 57.388 58.200 -0.188 0.000 1.062 101 S CB 1.706 64.939 63.200 0.055 0.000 1.009 101 S HN 0.506 8.671 8.310 -0.241 0.000 0.502 102 E N 0.843 120.966 120.200 -0.128 0.000 2.392 102 E HA 0.491 nan 4.350 nan 0.000 0.279 102 E C -3.035 173.583 176.600 0.029 0.000 0.964 102 E CA -2.772 53.619 56.400 -0.014 0.000 0.777 102 E CB 1.074 30.843 29.700 0.115 0.000 1.249 102 E HN 0.380 8.688 8.360 -0.087 0.000 0.449 103 P HA -0.077 nan 4.420 nan 0.000 0.268 103 P C -1.066 176.254 177.300 0.033 0.000 1.208 103 P CA 0.631 63.771 63.100 0.067 0.000 0.777 103 P CB 0.709 32.552 31.700 0.238 0.000 0.875 104 L N -1.366 119.813 121.223 -0.073 0.000 2.249 104 L HA -0.045 nan 4.340 nan 0.000 0.207 104 L C 0.589 177.308 176.870 -0.251 0.000 1.090 104 L CA 0.888 55.680 54.840 -0.079 0.000 0.802 104 L CB 0.915 42.960 42.059 -0.024 0.000 0.947 104 L HN 0.354 8.810 8.230 -0.096 -0.283 0.453 105 G N -2.787 105.653 108.800 -0.600 0.000 2.145 105 G HA2 -0.236 nan 3.960 nan 0.000 0.203 105 G HA3 -0.236 nan 3.960 nan 0.000 0.203 105 G C -2.206 172.248 174.900 -0.744 0.000 1.096 105 G CA -0.515 43.879 45.100 -1.176 0.000 1.282 105 G HN -0.435 7.855 8.290 -0.504 -0.303 0.474 106 V N 3.404 123.114 119.914 -0.339 0.000 2.350 106 V HA 0.488 nan 4.120 nan 0.000 0.276 106 V C -0.914 175.233 176.094 0.088 0.000 1.028 106 V CA -0.151 62.095 62.300 -0.091 0.000 0.860 106 V CB 0.133 31.947 31.823 -0.016 0.000 0.990 106 V HN -0.340 7.990 8.190 -0.273 -0.304 0.453 107 V N 8.243 128.168 119.914 0.019 0.000 2.472 107 V HA 0.691 nan 4.120 nan 0.000 0.290 107 V C -1.580 174.443 176.094 -0.119 0.000 1.037 107 V CA -1.590 60.702 62.300 -0.013 0.000 0.908 107 V CB 1.628 33.341 31.823 -0.184 0.000 0.985 107 V HN 0.729 8.892 8.190 -0.045 0.000 0.454 108 L N 7.048 128.093 121.223 -0.297 0.000 2.272 108 L HA 0.752 nan 4.340 nan 0.000 0.289 108 L C -2.033 174.682 176.870 -0.258 0.000 1.032 108 L CA -0.862 53.660 54.840 -0.530 0.000 0.810 108 L CB 2.167 43.557 42.059 -1.115 0.000 1.205 108 L HN 0.548 8.655 8.230 -0.205 0.000 0.422 109 V N 7.474 127.272 119.914 -0.193 0.000 2.334 109 V HA 0.500 nan 4.120 nan 0.000 0.281 109 V C -1.169 174.872 176.094 -0.088 0.000 1.016 109 V CA -1.091 61.134 62.300 -0.125 0.000 0.832 109 V CB 0.976 32.713 31.823 -0.144 0.000 0.999 109 V HN 0.952 9.027 8.190 -0.191 0.000 0.439 110 I N 7.988 128.533 120.570 -0.041 0.000 2.306 110 I HA 0.468 nan 4.170 nan 0.000 0.288 110 I C -0.742 175.354 176.117 -0.034 0.000 1.036 110 I CA -1.023 60.288 61.300 0.017 0.000 1.221 110 I CB 0.251 38.357 38.000 0.176 0.000 1.385 110 I HN 0.553 8.748 8.210 -0.026 0.000 0.472 111 G N 6.103 114.886 108.800 -0.029 0.000 2.588 111 G HA2 0.148 nan 3.960 nan 0.000 0.281 111 G HA3 0.148 nan 3.960 nan 0.000 0.281 111 G C -2.168 172.701 174.900 -0.051 0.000 1.236 111 G CA -1.291 43.781 45.100 -0.048 0.000 0.969 111 G HN 0.045 8.333 8.290 -0.003 0.000 0.504 112 A N -1.516 121.272 122.820 -0.053 0.000 2.387 112 A HA 0.543 nan 4.320 nan 0.000 0.303 112 A C -0.037 177.561 177.584 0.022 0.000 1.145 112 A CA -1.955 50.030 52.037 -0.087 0.000 0.801 112 A CB 2.656 21.513 19.000 -0.238 0.000 1.342 112 A HN 0.040 8.172 8.150 -0.030 0.000 0.440 113 W N -1.617 119.727 121.300 0.073 0.000 2.476 113 W HA -0.151 nan 4.660 nan 0.000 0.281 113 W C -1.139 175.413 176.519 0.055 0.000 1.230 113 W CA 1.123 58.512 57.345 0.074 0.000 1.287 113 W CB -0.967 28.538 29.460 0.076 0.000 1.108 113 W HN 0.293 8.334 8.180 -0.232 0.000 0.567 114 N N -1.519 117.052 118.700 -0.216 0.000 2.120 114 N HA -0.311 nan 4.740 nan 0.000 0.188 114 N C -1.362 173.986 175.510 -0.270 0.000 1.024 114 N CA 2.041 54.957 53.050 -0.223 0.000 0.852 114 N CB -0.985 37.166 38.487 -0.560 0.000 1.003 114 N HN -0.215 7.648 8.380 -0.862 0.000 0.424 115 Y N -3.716 116.579 120.300 -0.009 0.000 2.511 115 Y HA 0.311 nan 4.550 nan 0.000 0.356 115 Y C -1.790 174.153 175.900 0.072 0.000 1.002 115 Y CA -4.252 53.871 58.100 0.039 0.000 1.127 115 Y CB 0.794 39.256 38.460 0.003 0.000 1.137 115 Y HN -0.628 7.706 8.280 0.091 0.000 0.652 116 P HA -0.283 nan 4.420 nan 0.000 0.219 116 P C -0.168 177.253 177.300 0.201 0.000 1.146 116 P CA 2.651 65.865 63.100 0.190 0.000 0.808 116 P CB 0.197 32.020 31.700 0.205 0.000 0.779 117 F N -1.771 118.240 119.950 0.102 0.000 2.374 117 F HA -0.174 nan 4.527 nan 0.000 0.291 117 F C 1.450 177.291 175.800 0.069 0.000 1.084 117 F CA 2.679 60.722 58.000 0.071 0.000 1.413 117 F CB 0.871 39.903 39.000 0.053 0.000 1.099 117 F HN -0.580 8.081 8.300 0.364 -0.142 0.534 118 N N 0.960 119.739 118.700 0.131 0.000 2.092 118 N HA -0.229 nan 4.740 nan 0.000 0.189 118 N C 1.999 177.514 175.510 0.008 0.000 1.040 118 N CA 3.771 56.844 53.050 0.039 0.000 0.845 118 N CB 0.332 38.883 38.487 0.106 0.000 1.017 118 N HN -0.493 8.294 8.380 0.296 -0.230 0.426 119 L N -4.461 116.803 121.223 0.067 0.000 2.721 119 L HA -0.199 nan 4.340 nan 0.000 0.241 119 L C 0.124 176.988 176.870 -0.010 0.000 1.168 119 L CA 1.771 56.648 54.840 0.061 0.000 0.866 119 L CB -0.898 41.196 42.059 0.058 0.000 0.996 119 L HN 0.100 8.403 8.230 0.122 0.000 0.451 120 T N -5.007 109.506 114.554 -0.069 0.000 3.125 120 T HA 0.149 nan 4.350 nan 0.000 0.252 120 T C 1.640 176.238 174.700 -0.170 0.000 0.981 120 T CA 1.228 63.264 62.100 -0.107 0.000 1.069 120 T CB 1.884 70.700 68.868 -0.088 0.000 1.091 120 T HN -0.835 7.247 8.240 -0.104 0.096 0.460 121 I N 2.465 122.849 120.570 -0.310 0.000 2.480 121 I HA -0.095 nan 4.170 nan 0.000 0.251 121 I C 1.075 177.078 176.117 -0.191 0.000 1.124 121 I CA 0.438 61.527 61.300 -0.351 0.000 1.444 121 I CB -1.318 36.246 38.000 -0.726 0.000 1.098 121 I HN -0.151 7.813 8.210 -0.410 0.000 0.428 122 Q N 0.717 120.452 119.800 -0.109 0.000 2.020 122 Q HA -0.198 nan 4.340 nan 0.000 0.202 122 Q C 0.042 176.153 176.000 0.185 0.000 0.982 122 Q CA 5.340 61.179 55.803 0.060 0.000 0.838 122 Q CB -1.499 27.322 28.738 0.137 0.000 0.899 122 Q HN -0.359 7.823 8.270 -0.147 0.000 0.423 123 P HA -0.241 nan 4.420 nan 0.000 0.216 123 P C 0.793 178.111 177.300 0.029 0.000 1.150 123 P CA 2.660 65.843 63.100 0.139 0.000 0.837 123 P CB -0.515 31.109 31.700 -0.127 0.000 0.786 124 M N -2.735 116.811 119.600 -0.090 0.000 2.279 124 M HA -0.345 nan 4.480 nan 0.000 0.264 124 M C 1.607 177.842 176.300 -0.108 0.000 1.062 124 M CA 3.388 58.586 55.300 -0.169 0.000 1.099 124 M CB -0.061 32.445 32.600 -0.156 0.000 1.394 124 M HN -0.573 7.582 8.290 -0.079 0.087 0.426 125 V N -1.971 117.936 119.914 -0.013 0.000 2.295 125 V HA -0.394 nan 4.120 nan 0.000 0.246 125 V C 1.783 177.954 176.094 0.128 0.000 1.049 125 V CA 4.744 67.067 62.300 0.038 0.000 1.024 125 V CB -1.355 30.514 31.823 0.078 0.000 0.648 125 V HN -0.143 7.904 8.190 0.013 0.151 0.447 126 G N -1.556 107.382 108.800 0.231 0.000 2.402 126 G HA2 -0.350 nan 3.960 nan 0.000 0.216 126 G HA3 -0.350 nan 3.960 nan 0.000 0.216 126 G C 0.462 175.524 174.900 0.270 0.000 1.162 126 G CA 1.933 47.264 45.100 0.385 0.000 0.777 126 G HN 0.007 8.450 8.290 0.255 0.000 0.539 127 A N 1.113 123.846 122.820 -0.144 0.000 1.902 127 A HA -0.173 nan 4.320 nan 0.000 0.217 127 A C 2.043 179.562 177.584 -0.109 0.000 1.181 127 A CA 3.043 54.799 52.037 -0.468 0.000 0.623 127 A CB -0.592 17.865 19.000 -0.905 0.000 0.818 127 A HN -0.373 7.584 8.150 -0.212 0.066 0.443 128 V N -1.858 118.029 119.914 -0.044 0.000 2.548 128 V HA -0.334 nan 4.120 nan 0.000 0.249 128 V C 2.655 178.823 176.094 0.123 0.000 1.055 128 V CA 3.714 66.033 62.300 0.031 0.000 1.065 128 V CB -1.230 30.501 31.823 -0.155 0.000 0.681 128 V HN -0.022 8.116 8.190 -0.086 0.000 0.462 129 A N -0.028 122.894 122.820 0.170 0.000 1.933 129 A HA -0.285 nan 4.320 nan 0.000 0.218 129 A C 1.086 178.888 177.584 0.363 0.000 1.175 129 A CA 3.197 55.423 52.037 0.315 0.000 0.628 129 A CB -0.581 18.708 19.000 0.481 0.000 0.814 129 A HN -0.063 8.075 8.150 0.146 0.100 0.444 130 A N -5.974 116.942 122.820 0.161 0.000 2.238 130 A HA -0.052 nan 4.320 nan 0.000 0.208 130 A C 0.011 177.619 177.584 0.040 0.000 1.177 130 A CA -0.098 51.871 52.037 -0.114 0.000 0.804 130 A CB -0.215 18.610 19.000 -0.292 0.000 0.823 130 A HN -0.546 7.678 8.150 0.146 0.014 0.482 131 G N -1.855 107.045 108.800 0.167 0.000 2.149 131 G HA2 -0.390 nan 3.960 nan 0.000 0.235 131 G HA3 -0.390 nan 3.960 nan 0.000 0.235 131 G C -0.918 174.142 174.900 0.266 0.000 1.018 131 G CA 0.152 45.407 45.100 0.258 0.000 0.728 131 G HN -0.429 7.780 8.290 0.189 0.195 0.508 132 N N -0.084 118.699 118.700 0.138 0.000 2.482 132 N HA 0.608 nan 4.740 nan 0.000 0.279 132 N C -1.897 173.673 175.510 0.101 0.000 1.182 132 N CA -0.367 52.677 53.050 -0.010 0.000 0.969 132 N CB 2.401 40.808 38.487 -0.133 0.000 1.201 132 N HN -0.592 7.861 8.380 0.121 0.000 0.523 133 A N -0.861 121.939 122.820 -0.033 0.000 2.304 133 A HA 0.630 nan 4.320 nan 0.000 0.301 133 A C -1.735 175.857 177.584 0.013 0.000 1.132 133 A CA -1.013 51.006 52.037 -0.030 0.000 0.819 133 A CB 1.608 20.580 19.000 -0.047 0.000 1.094 133 A HN 0.595 8.616 8.150 -0.216 0.000 0.492 134 V N 1.220 121.198 119.914 0.106 0.000 2.588 134 V HA 0.705 nan 4.120 nan 0.000 0.304 134 V C -1.386 174.753 176.094 0.075 0.000 1.042 134 V CA -1.201 61.139 62.300 0.067 0.000 0.877 134 V CB 2.431 34.283 31.823 0.049 0.000 0.996 134 V HN -0.050 8.226 8.190 0.144 0.000 0.425 135 I N 5.146 125.731 120.570 0.025 0.000 2.355 135 I HA 0.566 nan 4.170 nan 0.000 0.288 135 I C -1.443 174.657 176.117 -0.028 0.000 0.999 135 I CA -1.112 60.209 61.300 0.035 0.000 1.163 135 I CB 1.597 39.657 38.000 0.101 0.000 1.316 135 I HN 0.598 8.797 8.210 -0.018 0.000 0.454 136 L N 8.365 129.588 121.223 -0.000 0.000 2.292 136 L HA 0.613 nan 4.340 nan 0.000 0.284 136 L C -1.492 175.376 176.870 -0.003 0.000 1.065 136 L CA -1.335 53.494 54.840 -0.019 0.000 0.806 136 L CB -0.505 41.550 42.059 -0.007 0.000 1.175 136 L HN 0.880 9.130 8.230 0.033 0.000 0.431 137 K N 5.923 126.314 120.400 -0.014 0.000 2.540 137 K HA 0.537 nan 4.320 nan 0.000 0.218 137 K C -2.797 173.818 176.600 0.025 0.000 1.017 137 K CA -3.915 52.378 56.287 0.009 0.000 1.029 137 K CB 0.865 33.363 32.500 -0.003 0.000 1.348 137 K HN 0.767 8.996 8.250 -0.035 0.000 0.508 138 P HA -0.009 nan 4.420 nan 0.000 0.272 138 P C -1.347 175.999 177.300 0.077 0.000 1.230 138 P CA -0.715 62.418 63.100 0.056 0.000 0.788 138 P CB 0.560 32.300 31.700 0.066 0.000 0.949 139 S N -0.026 115.736 115.700 0.103 0.000 2.564 139 S HA -0.094 nan 4.470 nan 0.000 0.278 139 S C 1.161 175.839 174.600 0.130 0.000 1.333 139 S CA -0.488 57.797 58.200 0.142 0.000 1.048 139 S CB 1.200 64.528 63.200 0.213 0.000 0.900 139 S HN 0.284 8.656 8.310 0.104 0.000 0.505 140 E N 6.300 126.570 120.200 0.115 0.000 2.299 140 E HA -0.062 nan 4.350 nan 0.000 0.193 140 E C 1.095 177.735 176.600 0.068 0.000 0.998 140 E CA 2.070 58.515 56.400 0.075 0.000 0.851 140 E CB -0.719 29.016 29.700 0.057 0.000 0.795 140 E HN 0.539 8.974 8.360 0.125 0.000 0.492 141 V N 0.301 120.282 119.914 0.111 0.000 2.343 141 V HA -0.251 nan 4.120 nan 0.000 0.247 141 V C 1.596 177.722 176.094 0.053 0.000 1.051 141 V CA 2.838 65.170 62.300 0.054 0.000 1.036 141 V CB -0.681 31.160 31.823 0.029 0.000 0.654 141 V HN -0.523 7.738 8.190 0.164 0.027 0.451 142 S N -1.286 114.505 115.700 0.152 0.000 2.704 142 S HA 0.098 nan 4.470 nan 0.000 0.241 142 S C 1.069 175.732 174.600 0.106 0.000 1.264 142 S CA -1.666 56.629 58.200 0.158 0.000 1.236 142 S CB -2.114 61.232 63.200 0.243 0.000 0.928 142 S HN -0.406 8.035 8.310 0.218 0.000 0.492 143 G N 2.162 110.970 108.800 0.013 0.000 2.785 143 G HA2 -0.468 nan 3.960 nan 0.000 0.225 143 G HA3 -0.468 nan 3.960 nan 0.000 0.225 143 G C 0.945 175.783 174.900 -0.104 0.000 1.093 143 G CA 2.436 47.492 45.100 -0.075 0.000 0.740 143 G HN -0.346 7.849 8.290 0.002 0.097 0.629 144 H N 1.778 120.884 119.070 0.061 0.000 2.389 144 H HA -0.193 nan 4.556 nan 0.000 0.299 144 H C 2.286 177.658 175.328 0.072 0.000 1.081 144 H CA 3.725 59.808 56.048 0.058 0.000 1.345 144 H CB -0.059 29.733 29.762 0.050 0.000 1.393 144 H HN -0.568 7.864 8.280 -0.044 -0.179 0.520 145 M N -0.585 119.134 119.600 0.198 0.000 2.254 145 M HA -0.245 nan 4.480 nan 0.000 0.265 145 M C 0.903 177.288 176.300 0.142 0.000 1.066 145 M CA 1.029 56.434 55.300 0.174 0.000 1.123 145 M CB -0.760 31.956 32.600 0.193 0.000 1.388 145 M HN 0.043 8.623 8.290 0.203 -0.168 0.425 146 A N -0.299 122.588 122.820 0.112 0.000 1.883 146 A HA -0.425 nan 4.320 nan 0.000 0.217 146 A C 2.013 179.645 177.584 0.079 0.000 1.186 146 A CA 3.468 55.557 52.037 0.086 0.000 0.624 146 A CB -1.113 17.925 19.000 0.062 0.000 0.822 146 A HN -0.456 7.687 8.150 0.109 0.073 0.444 147 D N -1.288 119.154 120.400 0.071 0.000 2.097 147 D HA -0.231 nan 4.640 nan 0.000 0.197 147 D C 2.250 178.603 176.300 0.088 0.000 0.984 147 D CA 3.948 57.989 54.000 0.068 0.000 0.826 147 D CB -0.044 40.789 40.800 0.057 0.000 0.973 147 D HN -0.625 7.781 8.370 0.061 0.000 0.460 148 L N -0.021 121.265 121.223 0.106 0.000 1.989 148 L HA -0.406 nan 4.340 nan 0.000 0.211 148 L C 1.684 178.626 176.870 0.120 0.000 1.071 148 L CA 3.509 58.415 54.840 0.111 0.000 0.749 148 L CB -0.100 42.029 42.059 0.116 0.000 0.890 148 L HN -0.622 7.677 8.230 0.115 0.000 0.431 149 L N -2.933 118.370 121.223 0.133 0.000 2.079 149 L HA -0.460 nan 4.340 nan 0.000 0.210 149 L C 2.086 179.019 176.870 0.105 0.000 1.081 149 L CA 3.072 57.989 54.840 0.129 0.000 0.752 149 L CB -0.671 41.459 42.059 0.119 0.000 0.896 149 L HN 0.171 8.484 8.230 0.139 0.000 0.433 150 A N -3.438 119.438 122.820 0.093 0.000 2.067 150 A HA -0.216 nan 4.320 nan 0.000 0.219 150 A C 0.888 178.524 177.584 0.087 0.000 1.158 150 A CA 2.791 54.877 52.037 0.082 0.000 0.661 150 A CB -0.360 18.681 19.000 0.069 0.000 0.801 150 A HN -0.352 7.763 8.150 0.092 0.090 0.452 151 T N -4.673 109.938 114.554 0.095 0.000 3.021 151 T HA 0.092 nan 4.350 nan 0.000 0.245 151 T C 1.569 176.345 174.700 0.126 0.000 1.028 151 T CA 1.403 63.561 62.100 0.097 0.000 1.139 151 T CB 0.801 69.721 68.868 0.087 0.000 0.884 151 T HN -0.520 7.622 8.240 0.098 0.157 0.457 152 L N 0.323 121.634 121.223 0.147 0.000 2.056 152 L HA -0.224 nan 4.340 nan 0.000 0.207 152 L C 2.430 179.446 176.870 0.243 0.000 1.078 152 L CA 2.728 57.691 54.840 0.205 0.000 0.749 152 L CB -0.184 41.971 42.059 0.160 0.000 0.901 152 L HN 0.103 8.304 8.230 0.131 0.107 0.433 153 I N -0.830 119.842 120.570 0.170 0.000 2.118 153 I HA -0.297 nan 4.170 nan 0.000 0.241 153 I C -1.165 175.065 176.117 0.187 0.000 1.070 153 I CA 4.889 66.286 61.300 0.162 0.000 1.327 153 I CB -3.655 34.417 38.000 0.120 0.000 1.034 153 I HN -0.446 7.849 8.210 0.142 0.000 0.405 154 P HA -0.077 nan 4.420 nan 0.000 0.234 154 P C 0.083 177.442 177.300 0.098 0.000 1.167 154 P CA 1.528 64.703 63.100 0.124 0.000 0.763 154 P CB -0.553 31.203 31.700 0.093 0.000 0.835 155 Q N -3.998 115.875 119.800 0.122 0.000 2.398 155 Q HA -0.088 nan 4.340 nan 0.000 0.204 155 Q C 0.659 176.542 176.000 -0.194 0.000 0.932 155 Q CA 1.467 57.251 55.803 -0.031 0.000 0.916 155 Q CB 0.823 29.546 28.738 -0.025 0.000 1.024 155 Q HN -0.376 7.824 8.270 0.201 0.190 0.504 156 Y N -4.653 115.676 120.300 0.047 0.000 2.652 156 Y HA 0.061 nan 4.550 nan 0.000 0.274 156 Y C -0.553 175.368 175.900 0.034 0.000 1.148 156 Y CA 0.697 58.817 58.100 0.033 0.000 1.219 156 Y CB 2.315 40.788 38.460 0.021 0.000 1.337 156 Y HN -0.501 7.813 8.280 0.314 0.154 0.490 157 M N -2.717 117.014 119.600 0.218 0.000 2.267 157 M HA 0.109 nan 4.480 nan 0.000 0.303 157 M C -0.366 176.092 176.300 0.263 0.000 1.164 157 M CA -1.857 53.559 55.300 0.194 0.000 1.060 157 M CB 1.325 34.038 32.600 0.189 0.000 1.455 157 M HN -0.341 8.093 8.290 0.240 0.000 0.483 158 D N 1.082 121.735 120.400 0.422 0.000 2.401 158 D HA -0.059 nan 4.640 nan 0.000 0.254 158 D C 0.262 176.698 176.300 0.226 0.000 1.192 158 D CA 0.700 54.902 54.000 0.337 0.000 0.885 158 D CB 1.610 42.680 40.800 0.450 0.000 1.147 158 D HN 0.026 9.042 8.370 0.583 -0.296 0.478 159 Q N 3.956 123.840 119.800 0.141 0.000 2.515 159 Q HA -0.169 nan 4.340 nan 0.000 0.212 159 Q C 0.413 176.440 176.000 0.046 0.000 0.970 159 Q CA 1.985 57.844 55.803 0.093 0.000 0.941 159 Q CB -0.246 28.537 28.738 0.075 0.000 0.998 159 Q HN 0.575 8.925 8.270 0.133 0.000 0.518 160 N N -2.690 116.017 118.700 0.012 0.000 2.397 160 N HA 0.108 nan 4.740 nan 0.000 0.190 160 N C 0.595 176.046 175.510 -0.098 0.000 1.099 160 N CA 1.385 54.419 53.050 -0.026 0.000 0.876 160 N CB 1.718 40.192 38.487 -0.022 0.000 1.143 160 N HN -0.400 8.156 8.380 0.027 -0.159 0.468 161 L N -2.075 119.007 121.223 -0.236 0.000 2.316 161 L HA -0.014 nan 4.340 nan 0.000 0.207 161 L C -0.326 176.158 176.870 -0.644 0.000 1.070 161 L CA 1.993 56.507 54.840 -0.543 0.000 0.820 161 L CB 1.571 43.062 42.059 -0.946 0.000 0.992 161 L HN -0.582 7.746 8.230 -0.185 -0.209 0.466 162 Y N -3.765 116.592 120.300 0.094 0.000 2.464 162 Y HA 0.282 nan 4.550 nan 0.000 0.326 162 Y C -0.698 175.236 175.900 0.057 0.000 0.969 162 Y CA -1.460 56.677 58.100 0.062 0.000 1.270 162 Y CB -0.457 38.036 38.460 0.055 0.000 1.103 162 Y HN -0.493 7.637 8.280 -0.250 0.000 0.491 163 L N 4.192 125.493 121.223 0.130 0.000 2.342 163 L HA 0.429 nan 4.340 nan 0.000 0.271 163 L C -1.373 175.549 176.870 0.087 0.000 1.008 163 L CA -1.170 53.728 54.840 0.097 0.000 0.818 163 L CB 3.332 45.431 42.059 0.068 0.000 1.296 163 L HN 0.132 8.432 8.230 0.118 0.000 0.427 164 V N 1.192 121.152 119.914 0.077 0.000 2.417 164 V HA 0.526 nan 4.120 nan 0.000 0.291 164 V C -0.496 175.633 176.094 0.058 0.000 1.024 164 V CA -1.172 61.166 62.300 0.064 0.000 0.861 164 V CB 0.729 32.593 31.823 0.067 0.000 0.985 164 V HN 0.014 8.251 8.190 0.079 0.000 0.436 165 V N 8.567 128.512 119.914 0.052 0.000 2.384 165 V HA 0.233 nan 4.120 nan 0.000 0.287 165 V C -1.187 174.935 176.094 0.047 0.000 1.020 165 V CA -1.249 61.082 62.300 0.052 0.000 0.850 165 V CB 0.758 32.616 31.823 0.058 0.000 0.987 165 V HN 0.821 9.038 8.190 0.045 0.000 0.436 166 K N 5.501 125.929 120.400 0.046 0.000 2.098 166 K HA 0.233 nan 4.320 nan 0.000 0.258 166 K C -0.909 175.715 176.600 0.041 0.000 0.973 166 K CA -0.503 55.811 56.287 0.044 0.000 0.898 166 K CB 1.609 34.134 32.500 0.041 0.000 1.057 166 K HN 0.413 8.690 8.250 0.045 0.000 0.447 167 G N 0.626 109.451 108.800 0.041 0.000 2.350 167 G HA2 -0.072 nan 3.960 nan 0.000 0.305 167 G HA3 -0.072 nan 3.960 nan 0.000 0.305 167 G C -2.329 172.597 174.900 0.044 0.000 1.479 167 G CA -0.291 44.832 45.100 0.038 0.000 0.949 167 G HN -0.169 8.147 8.290 0.045 0.000 0.651 168 G N -2.520 106.303 108.800 0.039 0.000 2.695 168 G HA2 0.488 nan 3.960 nan 0.000 0.213 168 G HA3 0.488 nan 3.960 nan 0.000 0.213 168 G C 0.287 175.214 174.900 0.045 0.000 1.406 168 G CA -1.475 43.652 45.100 0.045 0.000 1.049 168 G HN -0.340 8.166 8.290 0.033 -0.196 0.573 169 V N 1.481 121.420 119.914 0.042 0.000 2.252 169 V HA -0.326 nan 4.120 nan 0.000 0.249 169 V C 0.355 176.467 176.094 0.029 0.000 1.056 169 V CA 5.508 67.830 62.300 0.037 0.000 1.022 169 V CB -2.432 29.410 31.823 0.031 0.000 0.641 169 V HN 0.654 8.868 8.190 0.040 0.000 0.445 170 P HA -0.230 nan 4.420 nan 0.000 0.215 170 P C 1.964 179.281 177.300 0.028 0.000 1.153 170 P CA 3.303 66.417 63.100 0.023 0.000 0.853 170 P CB -0.432 31.280 31.700 0.019 0.000 0.788 171 E N -2.738 117.481 120.200 0.032 0.000 2.072 171 E HA -0.257 nan 4.350 nan 0.000 0.191 171 E C 2.776 179.401 176.600 0.043 0.000 0.985 171 E CA 3.254 59.676 56.400 0.037 0.000 0.801 171 E CB -0.904 28.819 29.700 0.038 0.000 0.750 171 E HN -0.331 8.048 8.360 0.031 0.000 0.452 172 T N 3.601 118.180 114.554 0.041 0.000 2.737 172 T HA -0.208 nan 4.350 nan 0.000 0.265 172 T C 2.049 176.772 174.700 0.037 0.000 1.038 172 T CA 5.079 67.203 62.100 0.039 0.000 1.144 172 T CB -0.458 68.433 68.868 0.038 0.000 0.866 172 T HN -0.118 8.146 8.240 0.040 0.000 0.434 173 T N 4.191 118.763 114.554 0.029 0.000 2.720 173 T HA -0.323 nan 4.350 nan 0.000 0.268 173 T C 0.948 175.672 174.700 0.039 0.000 1.037 173 T CA 4.521 66.636 62.100 0.025 0.000 1.144 173 T CB -0.676 68.203 68.868 0.017 0.000 0.864 173 T HN 0.157 8.414 8.240 0.028 0.000 0.444 174 E N 0.124 120.349 120.200 0.041 0.000 2.077 174 E HA -0.266 nan 4.350 nan 0.000 0.193 174 E C 2.471 179.113 176.600 0.069 0.000 0.989 174 E CA 2.382 58.810 56.400 0.046 0.000 0.800 174 E CB 0.148 29.871 29.700 0.038 0.000 0.746 174 E HN -0.618 7.764 8.360 0.037 0.000 0.452 175 L N 0.555 121.831 121.223 0.087 0.000 2.141 175 L HA -0.205 nan 4.340 nan 0.000 0.209 175 L C 1.922 178.924 176.870 0.219 0.000 1.094 175 L CA 2.676 57.606 54.840 0.149 0.000 0.763 175 L CB 0.177 42.314 42.059 0.131 0.000 0.908 175 L HN -0.330 7.862 8.230 0.070 0.080 0.437 176 L N -4.695 116.612 121.223 0.140 0.000 2.610 176 L HA -0.231 nan 4.340 nan 0.000 0.232 176 L C 0.612 177.579 176.870 0.162 0.000 1.149 176 L CA 1.400 56.328 54.840 0.146 0.000 0.872 176 L CB -0.945 41.147 42.059 0.056 0.000 0.992 176 L HN 0.010 8.167 8.230 0.091 0.128 0.447 177 K N -3.698 116.784 120.400 0.136 0.000 2.367 177 K HA 0.041 nan 4.320 nan 0.000 0.194 177 K C 0.363 177.039 176.600 0.126 0.000 1.027 177 K CA 0.300 56.672 56.287 0.141 0.000 1.075 177 K CB 0.462 33.012 32.500 0.084 0.000 0.845 177 K HN -0.648 7.484 8.250 0.120 0.191 0.529 178 E N 0.417 120.624 120.200 0.011 0.000 2.405 178 E HA -0.054 nan 4.350 nan 0.000 0.253 178 E C -0.814 175.426 176.600 -0.599 0.000 1.257 178 E CA -0.684 55.556 56.400 -0.267 0.000 0.960 178 E CB 0.766 30.221 29.700 -0.409 0.000 1.077 178 E HN -0.728 7.534 8.360 0.101 0.159 0.512 179 R N 0.259 120.264 120.500 -0.825 0.000 2.265 179 R HA 0.342 nan 4.340 nan 0.000 0.328 179 R C -1.153 174.687 176.300 -0.766 0.000 0.969 179 R CA -0.679 54.870 56.100 -0.919 0.000 0.832 179 R CB 0.746 30.644 30.300 -0.670 0.000 1.139 179 R HN 0.260 8.118 8.270 -0.686 0.000 0.457 180 F N 4.172 123.976 119.950 -0.242 0.000 2.575 180 F HA 0.398 nan 4.527 nan 0.000 0.330 180 F C -0.193 175.551 175.800 -0.093 0.000 1.056 180 F CA -1.459 56.462 58.000 -0.132 0.000 0.964 180 F CB 3.009 41.956 39.000 -0.088 0.000 1.258 180 F HN 0.270 8.472 8.300 -0.163 0.000 0.484 181 D N -0.286 120.192 120.400 0.129 0.000 2.349 181 D HA 0.056 nan 4.640 nan 0.000 0.214 181 D C -1.413 174.996 176.300 0.181 0.000 1.063 181 D CA 0.994 55.042 54.000 0.080 0.000 0.847 181 D CB 1.051 41.847 40.800 -0.006 0.000 0.933 181 D HN 0.496 8.856 8.370 0.157 0.104 0.513 182 H N -3.045 116.076 119.070 0.085 0.000 3.041 182 H HA 0.099 nan 4.556 nan 0.000 0.293 182 H C -2.246 173.105 175.328 0.039 0.000 1.166 182 H CA 0.309 56.402 56.048 0.075 0.000 1.529 182 H CB 2.637 32.471 29.762 0.120 0.000 2.050 182 H HN -0.750 7.613 8.280 0.250 0.067 0.505 183 I N 5.861 126.345 120.570 -0.142 0.000 2.418 183 I HA 0.468 nan 4.170 nan 0.000 0.287 183 I C -2.181 173.932 176.117 -0.006 0.000 1.008 183 I CA -1.335 59.910 61.300 -0.091 0.000 1.104 183 I CB 2.771 40.684 38.000 -0.146 0.000 1.264 183 I HN 0.395 8.338 8.210 -0.445 0.000 0.438 184 M N 9.658 129.330 119.600 0.120 0.000 2.157 184 M HA 0.566 nan 4.480 nan 0.000 0.354 184 M C -2.624 173.716 176.300 0.067 0.000 1.170 184 M CA -1.530 53.846 55.300 0.126 0.000 1.060 184 M CB 1.967 34.672 32.600 0.175 0.000 1.615 184 M HN 0.887 9.117 8.290 0.073 0.104 0.460 185 Y N 8.046 128.291 120.300 -0.093 0.000 2.457 185 Y HA 0.596 nan 4.550 nan 0.000 0.343 185 Y C -2.886 172.966 175.900 -0.080 0.000 0.994 185 Y CA -1.304 56.743 58.100 -0.088 0.000 1.031 185 Y CB 4.279 42.688 38.460 -0.086 0.000 1.246 185 Y HN 0.885 9.203 8.280 0.065 0.000 0.449 186 T N 9.227 123.224 114.554 -0.928 0.000 2.881 186 T HA 0.686 nan 4.350 nan 0.000 0.291 186 T C -1.462 172.613 174.700 -1.042 0.000 0.990 186 T CA -0.957 60.715 62.100 -0.714 0.000 0.976 186 T CB 1.414 70.093 68.868 -0.316 0.000 0.970 186 T HN -0.041 7.665 8.240 -0.890 0.000 0.438 187 G N 6.493 114.830 108.800 -0.773 0.000 2.539 187 G HA2 0.305 nan 3.960 nan 0.000 0.138 187 G HA3 0.305 nan 3.960 nan 0.000 0.138 187 G C -2.213 172.599 174.900 -0.146 0.000 1.148 187 G CA 0.833 45.671 45.100 -0.437 0.000 1.057 187 G HN 0.047 8.025 8.290 -0.521 0.000 0.511 188 S N -0.210 115.520 115.700 0.049 0.000 2.654 188 S HA 0.378 nan 4.470 nan 0.000 0.283 188 S C 1.421 176.076 174.600 0.093 0.000 1.180 188 S CA -1.105 57.111 58.200 0.026 0.000 1.021 188 S CB 2.483 65.701 63.200 0.030 0.000 1.018 188 S HN -0.164 8.262 8.310 0.192 0.000 0.532 189 T N 3.857 118.430 114.554 0.031 0.000 2.788 189 T HA -0.179 nan 4.350 nan 0.000 0.268 189 T C 1.577 176.288 174.700 0.020 0.000 1.044 189 T CA 4.388 66.504 62.100 0.027 0.000 1.139 189 T CB -0.504 68.365 68.868 0.002 0.000 0.867 189 T HN 0.635 8.873 8.240 -0.004 0.000 0.454 190 A N 1.438 124.269 122.820 0.018 0.000 1.877 190 A HA -0.051 nan 4.320 nan 0.000 0.216 190 A C 2.247 179.825 177.584 -0.010 0.000 1.186 190 A CA 2.805 54.844 52.037 0.004 0.000 0.620 190 A CB -0.803 18.203 19.000 0.011 0.000 0.822 190 A HN -0.057 8.090 8.150 0.022 0.016 0.443 191 V N -2.253 117.669 119.914 0.013 0.000 2.809 191 V HA -0.307 nan 4.120 nan 0.000 0.256 191 V C 2.115 178.085 176.094 -0.206 0.000 1.080 191 V CA 3.045 65.317 62.300 -0.047 0.000 1.102 191 V CB -1.094 30.760 31.823 0.051 0.000 0.705 191 V HN -0.440 7.783 8.190 0.054 0.000 0.475 192 G N -1.539 107.208 108.800 -0.089 0.000 2.422 192 G HA2 -0.352 nan 3.960 nan 0.000 0.218 192 G HA3 -0.352 nan 3.960 nan 0.000 0.218 192 G C 0.589 175.391 174.900 -0.164 0.000 1.146 192 G CA 2.423 47.434 45.100 -0.149 0.000 0.769 192 G HN 0.342 8.538 8.290 0.044 0.120 0.547 193 K N 1.879 122.219 120.400 -0.100 0.000 2.057 193 K HA -0.285 nan 4.320 nan 0.000 0.207 193 K C 2.317 178.854 176.600 -0.105 0.000 1.049 193 K CA 3.063 59.300 56.287 -0.084 0.000 0.931 193 K CB -0.178 32.290 32.500 -0.055 0.000 0.714 193 K HN -0.860 7.242 8.250 -0.069 0.107 0.440 194 I N -0.351 120.146 120.570 -0.122 0.000 2.226 194 I HA -0.486 nan 4.170 nan 0.000 0.245 194 I C 1.908 177.935 176.117 -0.149 0.000 1.100 194 I CA 3.864 65.094 61.300 -0.117 0.000 1.374 194 I CB -0.173 37.761 38.000 -0.110 0.000 1.057 194 I HN -0.774 7.286 8.210 -0.119 0.079 0.413 195 V N 0.232 119.997 119.914 -0.249 0.000 2.261 195 V HA -0.525 nan 4.120 nan 0.000 0.246 195 V C 1.822 177.816 176.094 -0.167 0.000 1.047 195 V CA 4.689 66.823 62.300 -0.277 0.000 1.015 195 V CB -0.557 30.940 31.823 -0.543 0.000 0.642 195 V HN -0.158 7.844 8.190 -0.314 0.000 0.446 196 M N -0.552 118.958 119.600 -0.150 0.000 2.080 196 M HA -0.523 nan 4.480 nan 0.000 0.260 196 M C 1.718 177.976 176.300 -0.070 0.000 1.068 196 M CA 3.924 59.165 55.300 -0.099 0.000 1.109 196 M CB -0.153 32.397 32.600 -0.085 0.000 1.342 196 M HN -0.081 8.104 8.290 -0.175 0.000 0.405 197 A N -2.313 120.465 122.820 -0.070 0.000 1.940 197 A HA -0.369 nan 4.320 nan 0.000 0.219 197 A C 1.806 179.366 177.584 -0.039 0.000 1.176 197 A CA 2.985 54.990 52.037 -0.053 0.000 0.631 197 A CB -1.022 17.947 19.000 -0.052 0.000 0.814 197 A HN -0.006 8.094 8.150 -0.083 0.000 0.446 198 A N -2.465 120.334 122.820 -0.034 0.000 1.898 198 A HA -0.210 nan 4.320 nan 0.000 0.216 198 A C 2.248 179.864 177.584 0.052 0.000 1.181 198 A CA 2.421 54.462 52.037 0.007 0.000 0.620 198 A CB -0.515 18.493 19.000 0.013 0.000 0.819 198 A HN -0.383 7.639 8.150 -0.057 0.094 0.442 199 A N -1.742 121.094 122.820 0.026 0.000 1.969 199 A HA -0.256 nan 4.320 nan 0.000 0.218 199 A C 1.787 179.394 177.584 0.038 0.000 1.169 199 A CA 2.489 54.558 52.037 0.053 0.000 0.635 199 A CB -0.643 18.350 19.000 -0.011 0.000 0.810 199 A HN -0.172 7.888 8.150 -0.018 0.080 0.445 200 A N -2.365 120.450 122.820 -0.008 0.000 1.940 200 A HA -0.271 nan 4.320 nan 0.000 0.219 200 A C 2.540 180.097 177.584 -0.045 0.000 1.176 200 A CA 3.034 55.055 52.037 -0.025 0.000 0.631 200 A CB -0.781 18.197 19.000 -0.038 0.000 0.814 200 A HN 0.187 8.309 8.150 -0.020 0.016 0.446 201 K N -2.474 117.878 120.400 -0.081 0.000 2.281 201 K HA -0.244 nan 4.320 nan 0.000 0.203 201 K C 0.896 177.294 176.600 -0.336 0.000 1.046 201 K CA 2.106 58.266 56.287 -0.212 0.000 0.938 201 K CB -0.395 31.936 32.500 -0.282 0.000 0.737 201 K HN -0.441 7.767 8.250 -0.054 0.010 0.458 202 H N -4.936 114.125 119.070 -0.015 0.000 2.785 202 H HA 0.200 nan 4.556 nan 0.000 0.268 202 H C -0.502 174.816 175.328 -0.015 0.000 1.153 202 H CA -1.051 54.988 56.048 -0.016 0.000 1.111 202 H CB 0.617 30.373 29.762 -0.009 0.000 1.633 202 H HN -0.618 7.529 8.280 0.049 0.163 0.576 203 L N -2.487 118.772 121.223 0.061 0.000 3.976 203 L HA -0.438 nan 4.340 nan 0.000 0.418 203 L C -0.021 176.870 176.870 0.037 0.000 1.177 203 L CA 0.774 55.632 54.840 0.030 0.000 0.968 203 L CB -1.740 40.328 42.059 0.016 0.000 1.933 203 L HN -0.168 7.885 8.230 0.023 0.192 0.976 204 T N 0.180 114.769 114.554 0.058 0.000 2.869 204 T HA 0.284 nan 4.350 nan 0.000 0.295 204 T C -1.605 173.072 174.700 -0.039 0.000 0.987 204 T CA -1.981 60.137 62.100 0.030 0.000 1.109 204 T CB 1.138 70.044 68.868 0.063 0.000 0.932 204 T HN -0.489 7.772 8.240 0.094 0.035 0.518 205 P HA 0.191 nan 4.420 nan 0.000 0.278 205 P C -2.119 174.899 177.300 -0.470 0.000 1.238 205 P CA -0.417 62.583 63.100 -0.167 0.000 0.794 205 P CB 1.200 32.878 31.700 -0.037 0.000 0.955 206 V N -6.004 113.668 119.914 -0.403 0.000 2.876 206 V HA 0.695 nan 4.120 nan 0.000 0.312 206 V C -0.774 175.166 176.094 -0.257 0.000 1.085 206 V CA -2.816 59.232 62.300 -0.421 0.000 0.945 206 V CB 3.611 35.313 31.823 -0.201 0.000 1.017 206 V HN -0.091 7.953 8.190 -0.243 0.000 0.428 207 T N 5.999 120.467 114.554 -0.143 0.000 2.772 207 T HA 0.486 nan 4.350 nan 0.000 0.288 207 T C -1.423 173.255 174.700 -0.037 0.000 0.994 207 T CA -0.244 61.831 62.100 -0.042 0.000 0.951 207 T CB 0.637 69.510 68.868 0.008 0.000 0.933 207 T HN 0.388 8.538 8.240 -0.151 0.000 0.447 208 L N 6.637 127.834 121.223 -0.044 0.000 2.319 208 L HA 0.591 nan 4.340 nan 0.000 0.281 208 L C -1.251 175.579 176.870 -0.067 0.000 1.005 208 L CA -1.032 53.811 54.840 0.005 0.000 0.828 208 L CB 1.308 43.389 42.059 0.037 0.000 1.227 208 L HN 1.096 9.287 8.230 -0.066 0.000 0.415 209 E N 4.285 124.426 120.200 -0.098 0.000 2.121 209 E HA 0.435 nan 4.350 nan 0.000 0.255 209 E C -1.402 175.125 176.600 -0.122 0.000 0.906 209 E CA -1.120 55.181 56.400 -0.165 0.000 0.745 209 E CB 0.043 29.640 29.700 -0.171 0.000 1.155 209 E HN 0.418 8.725 8.360 -0.088 0.000 0.424 210 L N 2.340 123.516 121.223 -0.079 0.000 2.902 210 L HA 0.711 nan 4.340 nan 0.000 0.229 210 L C -0.189 176.652 176.870 -0.048 0.000 1.324 210 L CA -1.512 53.298 54.840 -0.049 0.000 1.230 210 L CB 1.803 43.859 42.059 -0.005 0.000 2.134 210 L HN 0.557 8.638 8.230 -0.088 0.096 0.567 211 G N -3.553 105.224 108.800 -0.039 0.000 2.947 211 G HA2 0.434 nan 3.960 nan 0.000 0.293 211 G HA3 0.434 nan 3.960 nan 0.000 0.293 211 G C -2.260 172.643 174.900 0.006 0.000 1.243 211 G CA -0.620 44.473 45.100 -0.012 0.000 0.802 211 G HN -0.315 7.953 8.290 -0.037 0.000 0.560 212 G N -2.163 106.659 108.800 0.036 0.000 2.399 212 G HA2 -0.020 nan 3.960 nan 0.000 0.256 212 G HA3 -0.020 nan 3.960 nan 0.000 0.256 212 G C -2.165 172.803 174.900 0.114 0.000 1.236 212 G CA 0.594 45.728 45.100 0.057 0.000 0.914 212 G HN -0.516 7.931 8.290 0.059 -0.122 0.482 213 K N 0.459 120.952 120.400 0.154 0.000 2.414 213 K HA 0.174 nan 4.320 nan 0.000 0.251 213 K C -0.870 175.901 176.600 0.286 0.000 1.037 213 K CA -1.231 55.217 56.287 0.268 0.000 0.980 213 K CB 0.062 32.757 32.500 0.323 0.000 1.280 213 K HN 0.273 8.600 8.250 0.129 0.000 0.451 214 S N 5.676 121.483 115.700 0.178 0.000 2.465 214 S HA 0.151 nan 4.470 nan 0.000 0.307 214 S C -1.530 173.030 174.600 -0.066 0.000 1.187 214 S CA -1.534 56.702 58.200 0.059 0.000 1.141 214 S CB -0.187 63.054 63.200 0.070 0.000 1.108 214 S HN 0.340 8.761 8.310 0.184 0.000 0.525 215 P HA 0.078 nan 4.420 nan 0.000 0.272 215 P C -1.771 175.424 177.300 -0.176 0.000 1.230 215 P CA -0.415 62.356 63.100 -0.548 0.000 0.788 215 P CB 0.898 32.472 31.700 -0.210 0.000 0.949 216 C N 1.374 120.582 119.300 -0.153 0.000 2.547 216 C HA 0.413 nan 4.460 nan 0.000 0.327 216 C C -1.850 173.226 174.990 0.144 0.000 1.076 216 C CA -1.408 57.698 59.018 0.146 0.000 1.390 216 C CB 0.345 28.181 27.740 0.161 0.000 1.918 216 C HN -0.058 7.935 8.230 -0.395 0.000 0.438 217 Y N 9.376 129.741 120.300 0.109 0.000 2.327 217 Y HA 0.450 nan 4.550 nan 0.000 0.336 217 Y C -2.370 173.632 175.900 0.169 0.000 1.035 217 Y CA -0.409 57.745 58.100 0.091 0.000 1.165 217 Y CB 1.930 40.426 38.460 0.061 0.000 1.181 217 Y HN 0.662 9.149 8.280 0.345 0.000 0.494 218 V N 8.588 128.132 119.914 -0.617 0.000 2.357 218 V HA 0.257 nan 4.120 nan 0.000 0.284 218 V C -1.619 174.066 176.094 -0.681 0.000 1.018 218 V CA -1.929 60.128 62.300 -0.406 0.000 0.841 218 V CB 0.398 32.072 31.823 -0.248 0.000 0.991 218 V HN 0.748 8.489 8.190 -0.748 0.000 0.437 219 D N 7.271 127.482 120.400 -0.315 0.000 2.264 219 D HA 0.105 nan 4.640 nan 0.000 0.249 219 D C -0.388 175.886 176.300 -0.043 0.000 1.070 219 D CA -0.151 53.792 54.000 -0.095 0.000 0.912 219 D CB 2.278 43.195 40.800 0.195 0.000 1.193 219 D HN 0.111 8.438 8.370 -0.071 0.000 0.427 220 K N 3.626 124.019 120.400 -0.010 0.000 2.020 220 K HA -0.264 nan 4.320 nan 0.000 0.212 220 K C 0.231 176.839 176.600 0.013 0.000 1.050 220 K CA 2.102 58.387 56.287 -0.004 0.000 0.929 220 K CB -0.101 32.408 32.500 0.016 0.000 0.714 220 K HN 0.328 8.590 8.250 0.020 0.000 0.443 221 D N 0.217 120.639 120.400 0.037 0.000 2.498 221 D HA -0.031 nan 4.640 nan 0.000 0.229 221 D C -2.081 174.248 176.300 0.048 0.000 1.188 221 D CA -0.389 53.635 54.000 0.039 0.000 1.028 221 D CB -1.309 39.518 40.800 0.046 0.000 1.087 221 D HN -0.305 8.208 8.370 0.052 -0.112 0.510 222 C N 3.757 123.078 119.300 0.036 0.000 2.931 222 C HA 0.222 nan 4.460 nan 0.000 0.370 222 C C -1.900 173.108 174.990 0.029 0.000 1.071 222 C CA -1.191 57.858 59.018 0.052 0.000 1.266 222 C CB 3.806 31.588 27.740 0.070 0.000 1.691 222 C HN -0.188 8.024 8.230 0.021 0.030 0.511 223 D N 6.726 127.148 120.400 0.037 0.000 2.385 223 D HA 0.035 nan 4.640 nan 0.000 0.260 223 D C 0.731 177.029 176.300 -0.003 0.000 1.326 223 D CA 0.600 54.611 54.000 0.017 0.000 1.023 223 D CB -0.811 40.004 40.800 0.025 0.000 1.083 223 D HN 0.351 8.755 8.370 0.056 0.000 0.517 224 L N 4.582 125.790 121.223 -0.026 0.000 2.261 224 L HA -0.426 nan 4.340 nan 0.000 0.216 224 L C 1.595 178.425 176.870 -0.066 0.000 1.114 224 L CA 2.435 57.239 54.840 -0.059 0.000 0.777 224 L CB -0.123 41.901 42.059 -0.059 0.000 0.910 224 L HN 0.066 8.274 8.230 -0.020 0.010 0.440 225 D N -0.664 119.709 120.400 -0.044 0.000 2.091 225 D HA -0.196 nan 4.640 nan 0.000 0.199 225 D C 2.428 178.705 176.300 -0.038 0.000 0.980 225 D CA 3.874 57.847 54.000 -0.045 0.000 0.831 225 D CB -0.018 40.761 40.800 -0.035 0.000 0.987 225 D HN -0.377 8.109 8.370 -0.031 -0.135 0.460 226 V N 0.515 120.419 119.914 -0.017 0.000 2.307 226 V HA -0.289 nan 4.120 nan 0.000 0.245 226 V C 1.741 177.831 176.094 -0.006 0.000 1.045 226 V CA 3.497 65.801 62.300 0.006 0.000 1.024 226 V CB -0.717 31.124 31.823 0.031 0.000 0.651 226 V HN -0.769 7.635 8.190 -0.011 -0.221 0.449 227 A N -0.812 121.982 122.820 -0.043 0.000 1.859 227 A HA -0.402 nan 4.320 nan 0.000 0.218 227 A C 1.618 178.994 177.584 -0.345 0.000 1.209 227 A CA 3.643 55.542 52.037 -0.230 0.000 0.639 227 A CB -0.808 18.037 19.000 -0.259 0.000 0.835 227 A HN 0.310 8.451 8.150 -0.016 0.000 0.450 228 C N -3.238 115.931 119.300 -0.219 0.000 2.419 228 C HA -0.232 nan 4.460 nan 0.000 0.283 228 C C 2.285 177.253 174.990 -0.037 0.000 1.373 228 C CA 3.088 62.016 59.018 -0.152 0.000 1.781 228 C CB -2.129 25.544 27.740 -0.111 0.000 1.886 228 C HN -0.091 7.926 8.230 -0.169 0.111 0.520 229 R N 0.331 120.828 120.500 -0.004 0.000 2.090 229 R HA -0.291 nan 4.340 nan 0.000 0.228 229 R C 2.101 178.543 176.300 0.237 0.000 1.110 229 R CA 3.383 59.543 56.100 0.101 0.000 0.973 229 R CB -0.312 30.028 30.300 0.066 0.000 0.869 229 R HN -0.532 7.582 8.270 -0.036 0.134 0.440 230 R N -0.949 119.642 120.500 0.150 0.000 2.062 230 R HA -0.228 nan 4.340 nan 0.000 0.229 230 R C 2.486 178.958 176.300 0.287 0.000 1.128 230 R CA 3.428 59.678 56.100 0.249 0.000 0.960 230 R CB 0.014 30.462 30.300 0.246 0.000 0.855 230 R HN -0.327 7.978 8.270 0.059 0.000 0.432 231 I N -0.793 119.806 120.570 0.049 0.000 2.208 231 I HA -0.505 nan 4.170 nan 0.000 0.245 231 I C 1.731 177.926 176.117 0.131 0.000 1.097 231 I CA 3.700 64.995 61.300 -0.008 0.000 1.363 231 I CB -0.332 37.544 38.000 -0.205 0.000 1.051 231 I HN 0.053 8.197 8.210 -0.111 0.000 0.413 232 A N -0.910 122.069 122.820 0.266 0.000 1.898 232 A HA -0.234 nan 4.320 nan 0.000 0.216 232 A C 1.372 179.335 177.584 0.630 0.000 1.181 232 A CA 2.907 55.239 52.037 0.492 0.000 0.620 232 A CB -0.991 18.299 19.000 0.484 0.000 0.819 232 A HN -0.325 7.956 8.150 0.217 0.000 0.442 233 W N -0.098 121.426 121.300 0.372 0.000 2.311 233 W HA -0.478 nan 4.660 nan 0.000 0.326 233 W C 1.787 178.381 176.519 0.124 0.000 1.239 233 W CA 3.678 61.123 57.345 0.165 0.000 1.258 233 W CB -0.204 29.271 29.460 0.025 0.000 1.165 233 W HN -0.621 7.973 8.180 0.690 0.000 0.466 234 G N -3.489 105.214 108.800 -0.161 0.000 2.442 234 G HA2 -0.523 nan 3.960 nan 0.000 0.219 234 G HA3 -0.523 nan 3.960 nan 0.000 0.219 234 G C 0.824 175.536 174.900 -0.313 0.000 1.141 234 G CA 1.633 46.432 45.100 -0.503 0.000 0.763 234 G HN -0.439 8.026 8.290 0.292 0.000 0.554 235 K N -0.125 120.148 120.400 -0.211 0.000 2.155 235 K HA -0.188 nan 4.320 nan 0.000 0.203 235 K C 0.787 177.029 176.600 -0.598 0.000 1.052 235 K CA 1.430 57.471 56.287 -0.410 0.000 0.948 235 K CB 0.051 32.236 32.500 -0.524 0.000 0.728 235 K HN -0.462 7.722 8.250 -0.082 0.017 0.448 236 F N -5.679 114.310 119.950 0.066 0.000 2.682 236 F HA 0.148 nan 4.527 nan 0.000 0.308 236 F C 1.177 176.985 175.800 0.013 0.000 1.093 236 F CA -0.609 57.454 58.000 0.105 0.000 1.244 236 F CB 0.850 40.059 39.000 0.350 0.000 1.052 236 F HN -0.718 7.646 8.300 0.107 0.000 0.573 237 M N 2.102 121.707 119.600 0.008 0.000 2.103 237 M HA -0.474 nan 4.480 nan 0.000 0.255 237 M C -1.113 175.146 176.300 -0.067 0.000 1.074 237 M CA 4.544 59.794 55.300 -0.082 0.000 1.090 237 M CB 0.115 32.516 32.600 -0.331 0.000 1.325 237 M HN -0.803 7.365 8.290 -0.099 0.062 0.403 238 N N -4.327 114.286 118.700 -0.145 0.000 2.642 238 N HA 0.105 nan 4.740 nan 0.000 0.308 238 N C -0.921 174.430 175.510 -0.265 0.000 1.914 238 N CA -1.143 51.777 53.050 -0.217 0.000 0.893 238 N CB 0.100 38.391 38.487 -0.327 0.000 1.322 238 N HN -0.478 7.803 8.380 -0.165 0.000 0.490 239 S N 1.786 117.303 115.700 -0.304 0.000 3.581 239 S HA -0.304 nan 4.470 nan 0.000 0.354 239 S C -0.502 173.989 174.600 -0.181 0.000 1.059 239 S CA 1.364 59.367 58.200 -0.329 0.000 1.060 239 S CB -0.661 62.336 63.200 -0.338 0.000 0.908 239 S HN 0.006 8.073 8.310 -0.301 0.062 0.475 240 G N -4.432 104.246 108.800 -0.204 0.000 2.162 240 G HA2 -0.327 nan 3.960 nan 0.000 0.260 240 G HA3 -0.327 nan 3.960 nan 0.000 0.260 240 G C 0.337 174.997 174.900 -0.400 0.000 0.976 240 G CA 0.437 45.381 45.100 -0.260 0.000 0.655 240 G HN 0.098 8.255 8.290 -0.190 0.019 0.533 241 Q N 0.558 120.055 119.800 -0.505 0.000 3.091 241 Q HA 0.059 nan 4.340 nan 0.000 0.301 241 Q C -1.629 173.822 176.000 -0.916 0.000 1.337 241 Q CA -0.897 54.297 55.803 -1.016 0.000 1.083 241 Q CB -0.594 27.798 28.738 -0.576 0.000 1.477 241 Q HN -0.106 7.739 8.270 -0.371 0.202 0.537 242 T N -1.966 112.185 114.554 -0.673 0.000 2.912 242 T HA 0.363 nan 4.350 nan 0.000 0.299 242 T C 0.270 175.007 174.700 0.062 0.000 1.052 242 T CA -1.478 60.566 62.100 -0.093 0.000 0.996 242 T CB 2.559 71.448 68.868 0.035 0.000 1.070 242 T HN -0.645 7.126 8.240 -0.697 0.051 0.465 243 C N 2.651 122.084 119.300 0.222 0.000 2.422 243 C HA 0.046 nan 4.460 nan 0.000 0.279 243 C C 0.547 175.651 174.990 0.190 0.000 1.305 243 C CA 0.663 59.843 59.018 0.269 0.000 1.757 243 C CB -1.123 26.744 27.740 0.212 0.000 1.962 243 C HN 0.591 8.937 8.230 0.194 0.000 0.499 244 V N -5.200 114.783 119.914 0.115 0.000 2.908 244 V HA 0.442 nan 4.120 nan 0.000 0.369 244 V C -1.235 174.985 176.094 0.210 0.000 1.259 244 V CA -3.020 59.380 62.300 0.167 0.000 1.406 244 V CB -2.146 29.746 31.823 0.116 0.000 1.475 244 V HN -0.612 7.601 8.190 0.037 0.000 0.587 245 A N 1.460 124.373 122.820 0.154 0.000 2.312 245 A HA 0.647 nan 4.320 nan 0.000 0.328 245 A C -2.625 175.064 177.584 0.175 0.000 1.158 245 A CA -3.323 48.766 52.037 0.087 0.000 0.821 245 A CB 0.593 19.569 19.000 -0.040 0.000 1.170 245 A HN -0.462 7.719 8.150 0.158 0.063 0.490 246 P HA -0.021 nan 4.420 nan 0.000 0.267 246 P C -0.988 176.353 177.300 0.069 0.000 1.328 246 P CA -0.052 63.136 63.100 0.146 0.000 0.990 246 P CB -0.381 31.338 31.700 0.031 0.000 1.168 247 D N 4.834 125.309 120.400 0.125 0.000 2.104 247 D HA -0.259 nan 4.640 nan 0.000 0.194 247 D C -0.809 175.655 176.300 0.274 0.000 0.994 247 D CA 3.007 57.129 54.000 0.204 0.000 0.830 247 D CB 0.974 41.976 40.800 0.337 0.000 0.959 247 D HN 0.058 8.516 8.370 0.146 0.000 0.452 248 Y N -9.091 111.272 120.300 0.105 0.000 2.597 248 Y HA 0.572 nan 4.550 nan 0.000 0.340 248 Y C -2.454 173.498 175.900 0.088 0.000 1.097 248 Y CA -2.942 55.211 58.100 0.088 0.000 1.037 248 Y CB 2.179 40.702 38.460 0.104 0.000 1.305 248 Y HN -0.911 7.305 8.280 -0.106 0.000 0.463 249 I N -0.618 120.031 120.570 0.132 0.000 2.460 249 I HA 0.548 nan 4.170 nan 0.000 0.298 249 I C -1.466 174.687 176.117 0.059 0.000 0.989 249 I CA -1.284 60.030 61.300 0.023 0.000 1.173 249 I CB 2.531 40.533 38.000 0.004 0.000 1.338 249 I HN 0.297 8.637 8.210 0.215 0.000 0.456 250 L N 4.974 126.196 121.223 -0.000 0.000 2.333 250 L HA 0.828 nan 4.340 nan 0.000 0.280 250 L C -1.914 174.899 176.870 -0.095 0.000 1.004 250 L CA -1.165 53.679 54.840 0.005 0.000 0.820 250 L CB 2.228 44.348 42.059 0.101 0.000 1.247 250 L HN 0.710 8.924 8.230 -0.026 0.000 0.416 251 C N 0.107 119.354 119.300 -0.089 0.000 3.295 251 C HA 0.650 nan 4.460 nan 0.000 0.341 251 C C -2.140 172.815 174.990 -0.059 0.000 1.418 251 C CA -2.100 56.825 59.018 -0.154 0.000 1.240 251 C CB 3.349 30.994 27.740 -0.158 0.000 1.562 251 C HN 0.548 8.746 8.230 -0.053 0.000 0.457 252 D N 1.102 121.469 120.400 -0.055 0.000 2.304 252 D HA 0.418 nan 4.640 nan 0.000 0.250 252 D C -0.205 176.084 176.300 -0.019 0.000 1.107 252 D CA -2.192 51.802 54.000 -0.010 0.000 0.885 252 D CB 1.747 42.550 40.800 0.003 0.000 1.192 252 D HN 0.478 8.789 8.370 -0.100 0.000 0.436 253 P HA -0.214 nan 4.420 nan 0.000 0.218 253 P C 1.379 178.674 177.300 -0.008 0.000 1.146 253 P CA 2.091 65.188 63.100 -0.006 0.000 0.820 253 P CB 0.090 31.792 31.700 0.003 0.000 0.778 254 S N 0.535 116.231 115.700 -0.007 0.000 2.400 254 S HA -0.258 nan 4.470 nan 0.000 0.232 254 S C 1.470 176.061 174.600 -0.015 0.000 1.025 254 S CA 3.081 61.276 58.200 -0.007 0.000 0.993 254 S CB -0.190 63.008 63.200 -0.004 0.000 0.808 254 S HN -0.274 8.248 8.310 -0.004 -0.214 0.478 255 I N -6.730 113.824 120.570 -0.026 0.000 3.956 255 I HA 0.361 nan 4.170 nan 0.000 0.333 255 I C 0.659 176.754 176.117 -0.037 0.000 1.302 255 I CA -0.924 60.355 61.300 -0.035 0.000 1.122 255 I CB 0.265 38.234 38.000 -0.051 0.000 1.013 255 I HN -0.430 7.744 8.210 -0.028 0.019 0.405 256 Q N 2.609 122.392 119.800 -0.028 0.000 2.047 256 Q HA -0.462 nan 4.340 nan 0.000 0.211 256 Q C 2.210 178.200 176.000 -0.017 0.000 1.005 256 Q CA 3.934 59.725 55.803 -0.020 0.000 0.866 256 Q CB -0.626 28.107 28.738 -0.009 0.000 0.938 256 Q HN -0.252 7.801 8.270 -0.023 0.203 0.414 257 N N -1.904 116.788 118.700 -0.014 0.000 2.216 257 N HA -0.193 nan 4.740 nan 0.000 0.183 257 N C 2.179 177.676 175.510 -0.022 0.000 1.017 257 N CA 2.969 56.012 53.050 -0.012 0.000 0.861 257 N CB -0.372 38.111 38.487 -0.007 0.000 0.986 257 N HN 0.240 8.612 8.380 -0.013 0.000 0.428 258 Q N 1.196 120.979 119.800 -0.028 0.000 2.084 258 Q HA -0.271 nan 4.340 nan 0.000 0.202 258 Q C 2.423 178.395 176.000 -0.046 0.000 0.978 258 Q CA 3.046 58.828 55.803 -0.035 0.000 0.844 258 Q CB -0.165 28.552 28.738 -0.036 0.000 0.898 258 Q HN -0.270 7.985 8.270 -0.026 0.000 0.426 259 I N -0.500 120.040 120.570 -0.049 0.000 2.127 259 I HA -0.544 nan 4.170 nan 0.000 0.241 259 I C 1.687 177.775 176.117 -0.049 0.000 1.075 259 I CA 4.284 65.548 61.300 -0.059 0.000 1.334 259 I CB -0.265 37.698 38.000 -0.060 0.000 1.040 259 I HN 0.193 8.375 8.210 -0.046 0.000 0.405 260 V N -0.341 119.552 119.914 -0.034 0.000 2.252 260 V HA -0.575 nan 4.120 nan 0.000 0.249 260 V C 2.341 178.396 176.094 -0.064 0.000 1.056 260 V CA 4.534 66.815 62.300 -0.032 0.000 1.022 260 V CB -1.195 30.623 31.823 -0.009 0.000 0.641 260 V HN -0.598 7.576 8.190 -0.028 0.000 0.445 261 E N -1.501 118.666 120.200 -0.056 0.000 2.038 261 E HA -0.349 nan 4.350 nan 0.000 0.195 261 E C 2.820 179.366 176.600 -0.090 0.000 1.000 261 E CA 2.893 59.253 56.400 -0.067 0.000 0.803 261 E CB -0.804 28.867 29.700 -0.048 0.000 0.750 261 E HN -0.173 8.162 8.360 -0.043 0.000 0.448 262 K N -1.110 119.241 120.400 -0.081 0.000 2.097 262 K HA -0.250 nan 4.320 nan 0.000 0.206 262 K C 2.548 179.085 176.600 -0.106 0.000 1.049 262 K CA 2.481 58.714 56.287 -0.091 0.000 0.933 262 K CB -0.278 32.175 32.500 -0.080 0.000 0.717 262 K HN -0.400 7.809 8.250 -0.069 0.000 0.442 263 L N -0.961 120.207 121.223 -0.090 0.000 1.976 263 L HA -0.411 nan 4.340 nan 0.000 0.209 263 L C 1.805 178.581 176.870 -0.158 0.000 1.071 263 L CA 3.426 58.224 54.840 -0.070 0.000 0.746 263 L CB -0.361 41.691 42.059 -0.011 0.000 0.890 263 L HN 0.390 8.573 8.230 -0.080 0.000 0.432 264 K N -2.833 117.419 120.400 -0.246 0.000 2.280 264 K HA -0.368 nan 4.320 nan 0.000 0.202 264 K C 2.185 178.633 176.600 -0.252 0.000 1.047 264 K CA 2.931 58.982 56.287 -0.394 0.000 0.942 264 K CB -0.676 31.499 32.500 -0.542 0.000 0.739 264 K HN 0.023 8.148 8.250 -0.208 0.000 0.457 265 K N 0.824 121.106 120.400 -0.197 0.000 1.973 265 K HA -0.274 nan 4.320 nan 0.000 0.210 265 K C 2.289 178.728 176.600 -0.269 0.000 1.045 265 K CA 3.032 59.209 56.287 -0.182 0.000 0.937 265 K CB -0.101 32.311 32.500 -0.146 0.000 0.721 265 K HN -0.232 7.770 8.250 -0.176 0.143 0.438 266 S N 0.699 116.208 115.700 -0.318 0.000 2.402 266 S HA -0.317 nan 4.470 nan 0.000 0.233 266 S C 2.392 176.495 174.600 -0.828 0.000 1.030 266 S CA 3.577 61.419 58.200 -0.598 0.000 1.003 266 S CB -0.354 62.608 63.200 -0.397 0.000 0.813 266 S HN -0.114 8.055 8.310 -0.234 0.000 0.477 267 L N 0.210 121.204 121.223 -0.381 0.000 2.046 267 L HA -0.270 nan 4.340 nan 0.000 0.208 267 L C 1.544 178.325 176.870 -0.149 0.000 1.077 267 L CA 2.847 57.586 54.840 -0.168 0.000 0.747 267 L CB -0.925 41.042 42.059 -0.153 0.000 0.896 267 L HN 0.361 8.322 8.230 -0.287 0.096 0.432 268 K N -0.595 119.697 120.400 -0.181 0.000 2.057 268 K HA -0.382 nan 4.320 nan 0.000 0.207 268 K C 2.587 179.089 176.600 -0.163 0.000 1.049 268 K CA 3.587 59.805 56.287 -0.115 0.000 0.931 268 K CB -0.486 31.955 32.500 -0.100 0.000 0.714 268 K HN -0.218 7.819 8.250 -0.210 0.086 0.440 269 D N -1.118 119.094 120.400 -0.313 0.000 2.178 269 D HA -0.224 nan 4.640 nan 0.000 0.201 269 D C 1.716 177.921 176.300 -0.159 0.000 0.980 269 D CA 3.108 56.937 54.000 -0.285 0.000 0.842 269 D CB -0.531 40.031 40.800 -0.397 0.000 0.948 269 D HN -0.326 7.725 8.370 -0.399 0.080 0.472 270 F N -3.372 116.435 119.950 -0.239 0.000 2.274 270 F HA 0.008 nan 4.527 nan 0.000 0.288 270 F C 0.956 176.430 175.800 -0.543 0.000 1.069 270 F CA 1.413 59.120 58.000 -0.489 0.000 1.343 270 F CB 0.490 38.960 39.000 -0.883 0.000 1.089 270 F HN -0.757 7.090 8.300 -0.548 0.124 0.517 271 Y N -6.392 114.041 120.300 0.221 0.000 2.531 271 Y HA 0.055 nan 4.550 nan 0.000 0.249 271 Y C -0.013 175.912 175.900 0.041 0.000 1.168 271 Y CA -0.701 57.473 58.100 0.124 0.000 1.226 271 Y CB 0.367 38.875 38.460 0.080 0.000 1.177 271 Y HN -0.120 8.103 8.280 -0.095 0.000 0.527 272 G N 0.163 109.019 108.800 0.094 0.000 2.598 272 G HA2 -0.425 nan 3.960 nan 0.000 0.244 272 G HA3 -0.425 nan 3.960 nan 0.000 0.244 272 G C -0.528 174.397 174.900 0.043 0.000 1.302 272 G CA -0.119 45.008 45.100 0.046 0.000 0.903 272 G HN -0.564 7.674 8.290 0.036 0.074 0.575 273 E N 0.676 120.890 120.200 0.024 0.000 2.072 273 E HA -0.154 nan 4.350 nan 0.000 0.190 273 E C -0.120 176.491 176.600 0.017 0.000 0.982 273 E CA 1.406 57.816 56.400 0.017 0.000 0.803 273 E CB 0.379 30.080 29.700 0.001 0.000 0.755 273 E HN 0.081 8.451 8.360 0.017 0.000 0.453 274 D N -2.006 118.401 120.400 0.012 0.000 2.425 274 D HA 0.169 nan 4.640 nan 0.000 0.240 274 D C 0.096 176.399 176.300 0.005 0.000 1.080 274 D CA -1.001 52.994 54.000 -0.008 0.000 0.836 274 D CB 1.381 42.158 40.800 -0.037 0.000 1.125 274 D HN -0.582 7.798 8.370 0.018 0.000 0.525 275 A N 6.956 129.764 122.820 -0.020 0.000 1.940 275 A HA -0.255 nan 4.320 nan 0.000 0.219 275 A C 1.445 179.021 177.584 -0.014 0.000 1.176 275 A CA 2.957 54.922 52.037 -0.119 0.000 0.631 275 A CB -0.071 18.612 19.000 -0.528 0.000 0.814 275 A HN 0.725 8.863 8.150 -0.020 0.000 0.446 276 K N -3.508 116.855 120.400 -0.061 0.000 2.519 276 K HA -0.276 nan 4.320 nan 0.000 0.196 276 K C 1.317 177.846 176.600 -0.119 0.000 1.041 276 K CA 2.099 58.191 56.287 -0.325 0.000 0.954 276 K CB -0.221 31.786 32.500 -0.821 0.000 0.774 276 K HN -0.539 7.891 8.250 -0.049 -0.209 0.480 277 Q N -3.547 116.235 119.800 -0.030 0.000 2.349 277 Q HA 0.100 nan 4.340 nan 0.000 0.209 277 Q C 0.205 176.249 176.000 0.074 0.000 0.920 277 Q CA 0.379 56.187 55.803 0.009 0.000 0.901 277 Q CB 0.780 29.521 28.738 0.005 0.000 1.021 277 Q HN -0.480 7.578 8.270 -0.015 0.203 0.519 278 S N -0.211 115.571 115.700 0.137 0.000 2.533 278 S HA -0.065 nan 4.470 nan 0.000 0.282 278 S C 1.326 176.070 174.600 0.240 0.000 1.304 278 S CA -0.119 58.216 58.200 0.225 0.000 1.063 278 S CB 0.790 64.236 63.200 0.409 0.000 0.881 278 S HN -0.500 7.781 8.310 0.125 0.104 0.493 279 R N 7.056 127.675 120.500 0.199 0.000 2.275 279 R HA 0.017 nan 4.340 nan 0.000 0.199 279 R C 0.537 176.986 176.300 0.248 0.000 0.989 279 R CA 1.399 57.609 56.100 0.184 0.000 1.016 279 R CB -0.159 30.215 30.300 0.124 0.000 0.918 279 R HN 0.581 8.951 8.270 0.166 0.000 0.473 280 D N -2.785 117.815 120.400 0.334 0.000 2.340 280 D HA 0.039 nan 4.640 nan 0.000 0.220 280 D C -0.798 175.826 176.300 0.539 0.000 1.039 280 D CA 0.971 55.231 54.000 0.433 0.000 0.866 280 D CB 0.903 41.958 40.800 0.426 0.000 0.913 280 D HN -0.512 8.012 8.370 0.340 0.049 0.523 281 Y N 0.696 121.170 120.300 0.289 0.000 2.310 281 Y HA -0.061 nan 4.550 nan 0.000 0.326 281 Y C -1.762 174.195 175.900 0.095 0.000 1.151 281 Y CA 0.548 58.672 58.100 0.040 0.000 1.195 281 Y CB 1.568 39.895 38.460 -0.222 0.000 1.210 281 Y HN -1.105 7.404 8.280 0.483 0.060 0.483 282 G N 1.686 110.242 108.800 -0.407 0.000 2.511 282 G HA2 0.203 nan 3.960 nan 0.000 0.316 282 G HA3 0.203 nan 3.960 nan 0.000 0.316 282 G C -2.061 172.743 174.900 -0.161 0.000 1.210 282 G CA -1.119 43.859 45.100 -0.204 0.000 0.969 282 G HN 0.042 7.811 8.290 -0.867 0.000 0.492 283 R N -1.247 119.241 120.500 -0.020 0.000 2.664 283 R HA 0.390 nan 4.340 nan 0.000 0.286 283 R C -0.718 175.603 176.300 0.035 0.000 0.967 283 R CA -2.038 54.101 56.100 0.065 0.000 0.933 283 R CB 2.108 32.474 30.300 0.110 0.000 1.146 283 R HN -0.429 7.833 8.270 -0.015 0.000 0.468 284 I N 4.949 125.571 120.570 0.087 0.000 2.813 284 I HA -0.082 nan 4.170 nan 0.000 0.287 284 I C 0.445 176.579 176.117 0.028 0.000 1.196 284 I CA -0.134 61.214 61.300 0.080 0.000 1.421 284 I CB -0.273 37.837 38.000 0.182 0.000 1.365 284 I HN -0.009 8.292 8.210 0.152 0.000 0.591 285 I N 5.363 125.883 120.570 -0.083 0.000 2.091 285 I HA -0.426 nan 4.170 nan 0.000 0.239 285 I C -1.138 174.893 176.117 -0.143 0.000 1.061 285 I CA 2.729 63.898 61.300 -0.217 0.000 1.317 285 I CB 0.569 38.084 38.000 -0.809 0.000 1.031 285 I HN 0.435 8.699 8.210 -0.086 -0.106 0.401 286 N N -4.842 113.794 118.700 -0.107 0.000 3.204 286 N HA 0.048 nan 4.740 nan 0.000 0.285 286 N C -0.979 174.542 175.510 0.018 0.000 1.536 286 N CA -1.261 51.755 53.050 -0.056 0.000 0.832 286 N CB 0.740 39.160 38.487 -0.113 0.000 1.645 286 N HN -0.653 7.673 8.380 -0.089 0.000 0.586 287 D N 0.489 120.877 120.400 -0.021 0.000 2.097 287 D HA -0.264 nan 4.640 nan 0.000 0.195 287 D C 2.079 178.398 176.300 0.031 0.000 0.989 287 D CA 4.051 58.055 54.000 0.007 0.000 0.827 287 D CB -0.323 40.449 40.800 -0.047 0.000 0.966 287 D HN 0.331 8.669 8.370 -0.053 0.000 0.456 288 R N -1.428 119.022 120.500 -0.083 0.000 2.091 288 R HA -0.326 nan 4.340 nan 0.000 0.238 288 R C 2.315 178.508 176.300 -0.178 0.000 1.136 288 R CA 3.208 59.208 56.100 -0.167 0.000 0.959 288 R CB -0.256 29.866 30.300 -0.298 0.000 0.856 288 R HN 0.359 8.561 8.270 -0.112 0.000 0.437 289 H N -1.296 117.768 119.070 -0.010 0.000 2.436 289 H HA -0.161 nan 4.556 nan 0.000 0.294 289 H C 2.168 177.498 175.328 0.002 0.000 1.048 289 H CA 2.977 59.029 56.048 0.007 0.000 1.353 289 H CB 0.217 29.968 29.762 -0.018 0.000 1.414 289 H HN -0.708 7.642 8.280 -0.169 -0.171 0.536 290 F N 1.422 121.375 119.950 0.003 0.000 2.095 290 F HA -0.489 nan 4.527 nan 0.000 0.298 290 F C 1.356 177.075 175.800 -0.135 0.000 1.104 290 F CA 3.666 61.628 58.000 -0.063 0.000 1.232 290 F CB 0.209 39.155 39.000 -0.090 0.000 0.987 290 F HN 0.088 8.451 8.300 0.235 0.078 0.475 291 Q N -2.317 117.473 119.800 -0.017 0.000 2.084 291 Q HA -0.372 nan 4.340 nan 0.000 0.202 291 Q C 2.650 178.547 176.000 -0.172 0.000 0.978 291 Q CA 3.134 58.861 55.803 -0.127 0.000 0.844 291 Q CB -0.591 28.133 28.738 -0.024 0.000 0.898 291 Q HN 0.271 8.626 8.270 0.140 0.000 0.426 292 R N -1.178 119.268 120.500 -0.090 0.000 2.092 292 R HA -0.213 nan 4.340 nan 0.000 0.231 292 R C 2.739 179.006 176.300 -0.056 0.000 1.119 292 R CA 3.044 59.117 56.100 -0.046 0.000 0.970 292 R CB -0.605 29.708 30.300 0.021 0.000 0.864 292 R HN -0.444 7.793 8.270 -0.055 0.000 0.440 293 V N 0.100 119.963 119.914 -0.086 0.000 2.358 293 V HA -0.307 nan 4.120 nan 0.000 0.246 293 V C 2.352 178.351 176.094 -0.158 0.000 1.047 293 V CA 3.760 66.012 62.300 -0.080 0.000 1.035 293 V CB -1.083 30.697 31.823 -0.073 0.000 0.658 293 V HN 0.125 8.257 8.190 -0.096 0.000 0.452 294 K N 0.140 120.333 120.400 -0.345 0.000 2.026 294 K HA -0.263 nan 4.320 nan 0.000 0.208 294 K C 2.500 178.991 176.600 -0.182 0.000 1.048 294 K CA 3.151 59.201 56.287 -0.396 0.000 0.929 294 K CB -0.189 31.806 32.500 -0.842 0.000 0.713 294 K HN -0.362 7.612 8.250 -0.459 0.000 0.439 295 G N -2.132 106.574 108.800 -0.156 0.000 2.462 295 G HA2 -0.222 nan 3.960 nan 0.000 0.220 295 G HA3 -0.222 nan 3.960 nan 0.000 0.220 295 G C 1.436 176.323 174.900 -0.022 0.000 1.121 295 G CA 1.831 46.892 45.100 -0.065 0.000 0.758 295 G HN 0.147 8.317 8.290 -0.199 0.000 0.559 296 L N -0.879 120.331 121.223 -0.023 0.000 2.456 296 L HA -0.218 nan 4.340 nan 0.000 0.224 296 L C 0.563 177.449 176.870 0.027 0.000 1.148 296 L CA 1.400 56.245 54.840 0.009 0.000 0.825 296 L CB -0.234 41.837 42.059 0.019 0.000 0.937 296 L HN -0.882 7.174 8.230 -0.050 0.144 0.450 297 I N -4.756 115.833 120.570 0.030 0.000 3.226 297 I HA -0.199 nan 4.170 nan 0.000 0.277 297 I C -0.081 176.073 176.117 0.062 0.000 1.243 297 I CA 0.832 62.167 61.300 0.058 0.000 1.459 297 I CB 0.193 38.244 38.000 0.084 0.000 1.093 297 I HN -0.514 7.529 8.210 0.010 0.172 0.453 298 D N 1.858 122.291 120.400 0.054 0.000 2.419 298 D HA -0.182 nan 4.640 nan 0.000 0.236 298 D C -0.820 175.507 176.300 0.045 0.000 1.165 298 D CA 2.047 56.080 54.000 0.055 0.000 0.882 298 D CB 0.100 40.928 40.800 0.047 0.000 1.201 298 D HN -0.691 7.667 8.370 0.042 0.038 0.443 299 N N -0.847 117.880 118.700 0.044 0.000 2.714 299 N HA -0.429 nan 4.740 nan 0.000 0.252 299 N C -1.010 174.522 175.510 0.038 0.000 1.014 299 N CA 1.285 54.357 53.050 0.037 0.000 0.735 299 N CB -1.002 37.504 38.487 0.032 0.000 0.924 299 N HN 0.173 8.582 8.380 0.048 0.000 0.540 300 Q N -2.296 117.530 119.800 0.043 0.000 2.456 300 Q HA 0.263 nan 4.340 nan 0.000 0.283 300 Q C -0.968 175.059 176.000 0.046 0.000 1.084 300 Q CA -1.147 54.683 55.803 0.045 0.000 0.801 300 Q CB 3.685 32.454 28.738 0.051 0.000 1.434 300 Q HN -0.354 7.942 8.270 0.046 0.003 0.419 301 K N 3.546 123.973 120.400 0.045 0.000 2.183 301 K HA 0.113 nan 4.320 nan 0.000 0.272 301 K C -0.994 175.637 176.600 0.052 0.000 1.113 301 K CA -0.473 55.840 56.287 0.044 0.000 0.949 301 K CB -0.497 32.026 32.500 0.039 0.000 1.365 301 K HN 0.487 8.764 8.250 0.045 0.000 0.420 302 V N 3.661 123.606 119.914 0.052 0.000 2.397 302 V HA 0.011 nan 4.120 nan 0.000 0.262 302 V C -0.114 176.015 176.094 0.059 0.000 1.047 302 V CA 0.122 62.458 62.300 0.061 0.000 1.003 302 V CB -1.639 30.216 31.823 0.053 0.000 1.037 302 V HN 0.214 8.431 8.190 0.046 0.000 0.480 303 A N 7.678 130.547 122.820 0.081 0.000 2.030 303 A HA 0.068 nan 4.320 nan 0.000 0.215 303 A C -1.191 176.477 177.584 0.140 0.000 1.164 303 A CA 1.482 53.572 52.037 0.088 0.000 0.697 303 A CB 1.327 20.376 19.000 0.082 0.000 0.827 303 A HN 0.516 8.721 8.150 0.092 0.000 0.457 304 H N -3.684 115.401 119.070 0.026 0.000 3.037 304 H HA 0.085 nan 4.556 nan 0.000 0.355 304 H C -0.893 174.447 175.328 0.019 0.000 1.263 304 H CA -0.334 55.722 56.048 0.013 0.000 1.129 304 H CB 3.295 33.059 29.762 0.004 0.000 1.861 304 H HN -0.784 7.593 8.280 0.163 0.000 0.546 305 G N 2.950 111.432 108.800 -0.530 0.000 2.575 305 G HA2 -0.393 nan 3.960 nan 0.000 0.267 305 G HA3 -0.393 nan 3.960 nan 0.000 0.267 305 G C -0.795 174.055 174.900 -0.082 0.000 1.264 305 G CA 0.683 45.637 45.100 -0.243 0.000 0.935 305 G HN 0.329 7.899 8.290 -1.200 0.000 0.568 306 G N -3.200 105.606 108.800 0.009 0.000 2.211 306 G HA2 -0.299 nan 3.960 nan 0.000 0.201 306 G HA3 -0.299 nan 3.960 nan 0.000 0.201 306 G C -1.242 173.695 174.900 0.061 0.000 0.997 306 G CA 0.230 45.364 45.100 0.057 0.000 0.652 306 G HN 0.475 8.783 8.290 0.030 0.000 0.500 307 T N -3.770 110.797 114.554 0.020 0.000 2.943 307 T HA 0.444 nan 4.350 nan 0.000 0.284 307 T C -1.496 173.295 174.700 0.152 0.000 1.015 307 T CA -2.578 59.484 62.100 -0.063 0.000 1.042 307 T CB 1.168 69.999 68.868 -0.063 0.000 1.055 307 T HN -0.414 7.773 8.240 0.009 0.058 0.500 308 W N -2.559 118.875 121.300 0.224 0.000 3.074 308 W HA 0.535 nan 4.660 nan 0.000 0.332 308 W C -2.414 174.355 176.519 0.416 0.000 1.253 308 W CA -1.803 55.764 57.345 0.371 0.000 1.180 308 W CB 2.130 31.759 29.460 0.282 0.000 1.445 308 W HN -0.284 7.549 8.180 -0.579 0.000 0.573 309 D N 1.933 122.902 120.400 0.948 0.000 2.440 309 D HA 0.296 nan 4.640 nan 0.000 0.252 309 D C -0.045 176.519 176.300 0.439 0.000 1.180 309 D CA -1.892 52.444 54.000 0.561 0.000 0.894 309 D CB 1.354 42.323 40.800 0.283 0.000 1.111 309 D HN 0.036 8.942 8.370 1.103 0.126 0.544 310 Q N 5.511 125.553 119.800 0.403 0.000 2.135 310 Q HA -0.282 nan 4.340 nan 0.000 0.204 310 Q C 0.955 176.757 176.000 -0.330 0.000 0.981 310 Q CA 3.041 58.662 55.803 -0.303 0.000 0.856 310 Q CB 0.086 28.853 28.738 0.048 0.000 0.902 310 Q HN 0.769 9.485 8.270 0.743 0.000 0.425 311 S N -1.302 114.353 115.700 -0.075 0.000 2.348 311 S HA -0.175 nan 4.470 nan 0.000 0.221 311 S C 0.706 175.271 174.600 -0.058 0.000 1.033 311 S CA 2.903 61.067 58.200 -0.061 0.000 1.010 311 S CB 0.196 63.392 63.200 -0.007 0.000 0.891 311 S HN -0.336 8.132 8.310 0.034 -0.137 0.442 312 S N -1.988 113.713 115.700 0.003 0.000 2.605 312 S HA 0.107 nan 4.470 nan 0.000 0.217 312 S C 0.108 174.760 174.600 0.086 0.000 0.958 312 S CA -0.179 58.051 58.200 0.050 0.000 0.919 312 S CB 0.530 63.783 63.200 0.089 0.000 0.780 312 S HN -0.692 7.643 8.310 0.041 0.000 0.507 313 R N -3.003 117.479 120.500 -0.030 0.000 3.416 313 R HA -0.483 nan 4.340 nan 0.000 0.263 313 R C -1.597 174.943 176.300 0.401 0.000 1.053 313 R CA 0.993 57.100 56.100 0.012 0.000 0.705 313 R CB -2.482 27.838 30.300 0.033 0.000 1.124 313 R HN -0.353 7.624 8.270 -0.161 0.196 0.444 314 Y N -0.930 119.580 120.300 0.349 0.000 2.334 314 Y HA 0.154 nan 4.550 nan 0.000 0.328 314 Y C -1.973 174.252 175.900 0.542 0.000 1.130 314 Y CA -0.927 57.408 58.100 0.391 0.000 1.163 314 Y CB 2.318 40.946 38.460 0.279 0.000 1.207 314 Y HN -0.050 8.515 8.280 0.492 0.009 0.471 315 I N 6.465 126.871 120.570 -0.273 0.000 2.534 315 I HA 0.132 nan 4.170 nan 0.000 0.286 315 I C -1.589 174.195 176.117 -0.555 0.000 1.094 315 I CA -1.374 59.815 61.300 -0.185 0.000 1.055 315 I CB 3.402 41.366 38.000 -0.058 0.000 1.225 315 I HN 0.029 8.000 8.210 -0.399 0.000 0.435 316 A N 7.270 129.799 122.820 -0.484 0.000 2.483 316 A HA 0.075 nan 4.320 nan 0.000 0.238 316 A C -2.438 175.062 177.584 -0.140 0.000 1.070 316 A CA -1.652 50.172 52.037 -0.354 0.000 0.770 316 A CB -0.465 18.525 19.000 -0.017 0.000 1.008 316 A HN 0.624 8.683 8.150 -0.151 0.000 0.497 317 P HA -0.148 nan 4.420 nan 0.000 0.257 317 P C -1.557 175.776 177.300 0.056 0.000 1.269 317 P CA 0.646 63.628 63.100 -0.197 0.000 1.122 317 P CB -1.030 30.287 31.700 -0.638 0.000 1.285 318 T N 5.137 119.818 114.554 0.212 0.000 2.907 318 T HA 0.642 nan 4.350 nan 0.000 0.284 318 T C -1.351 173.525 174.700 0.293 0.000 1.004 318 T CA -2.449 59.783 62.100 0.220 0.000 1.063 318 T CB 1.849 70.808 68.868 0.151 0.000 0.992 318 T HN -0.234 8.174 8.240 0.280 0.000 0.483 319 I N 5.791 126.510 120.570 0.248 0.000 2.646 319 I HA 0.863 nan 4.170 nan 0.000 0.299 319 I C -1.476 174.732 176.117 0.152 0.000 1.036 319 I CA -1.110 60.316 61.300 0.211 0.000 1.074 319 I CB 3.457 41.563 38.000 0.177 0.000 1.258 319 I HN 0.031 8.381 8.210 0.232 0.000 0.430 320 L N 3.397 124.695 121.223 0.125 0.000 2.370 320 L HA 0.808 nan 4.340 nan 0.000 0.266 320 L C -1.435 175.482 176.870 0.078 0.000 1.002 320 L CA -1.382 53.516 54.840 0.096 0.000 0.818 320 L CB 2.870 44.983 42.059 0.090 0.000 1.325 320 L HN 0.249 8.558 8.230 0.130 0.000 0.418 321 V N -5.619 114.333 119.914 0.062 0.000 3.046 321 V HA 0.527 nan 4.120 nan 0.000 0.316 321 V C -0.485 175.632 176.094 0.040 0.000 1.104 321 V CA -2.789 59.540 62.300 0.048 0.000 1.006 321 V CB 2.862 34.709 31.823 0.040 0.000 1.058 321 V HN 0.063 8.289 8.190 0.060 0.000 0.440 322 D N -1.662 118.756 120.400 0.031 0.000 2.702 322 D HA -0.484 nan 4.640 nan 0.000 0.233 322 D C 0.377 176.695 176.300 0.031 0.000 1.164 322 D CA 1.600 55.615 54.000 0.026 0.000 0.638 322 D CB -1.706 39.108 40.800 0.024 0.000 1.041 322 D HN -0.098 8.543 8.370 0.027 -0.254 0.422 323 V N -1.254 118.682 119.914 0.035 0.000 2.740 323 V HA -0.204 nan 4.120 nan 0.000 0.303 323 V C -0.854 175.262 176.094 0.037 0.000 1.054 323 V CA 0.793 63.116 62.300 0.038 0.000 1.106 323 V CB 0.168 32.018 31.823 0.045 0.000 0.957 323 V HN -0.810 7.389 8.190 0.037 0.013 0.486 324 D N 4.424 124.847 120.400 0.038 0.000 2.295 324 D HA 0.328 nan 4.640 nan 0.000 0.248 324 D C 0.029 176.359 176.300 0.050 0.000 1.154 324 D CA -3.391 50.635 54.000 0.044 0.000 0.857 324 D CB 1.566 42.388 40.800 0.036 0.000 1.117 324 D HN -0.040 8.352 8.370 0.036 0.000 0.468 325 P HA -0.213 nan 4.420 nan 0.000 0.220 325 P C 0.455 177.779 177.300 0.040 0.000 1.144 325 P CA 1.896 65.059 63.100 0.105 0.000 0.800 325 P CB 0.252 32.098 31.700 0.243 0.000 0.772 326 Q N -3.931 115.888 119.800 0.033 0.000 2.425 326 Q HA -0.021 nan 4.340 nan 0.000 0.204 326 Q C 0.192 176.198 176.000 0.010 0.000 0.933 326 Q CA -0.897 54.913 55.803 0.012 0.000 0.939 326 Q CB -0.096 28.650 28.738 0.013 0.000 1.044 326 Q HN -0.461 8.077 8.270 0.044 -0.242 0.513 327 S N 1.325 117.035 115.700 0.016 0.000 2.585 327 S HA 0.254 nan 4.470 nan 0.000 0.273 327 S C -0.144 174.462 174.600 0.011 0.000 1.339 327 S CA -1.881 56.329 58.200 0.016 0.000 1.028 327 S CB -0.022 63.192 63.200 0.024 0.000 0.906 327 S HN -0.232 7.913 8.310 0.022 0.179 0.528 328 P HA -0.175 nan 4.420 nan 0.000 0.218 328 P C 0.641 177.951 177.300 0.017 0.000 1.146 328 P CA 2.239 65.347 63.100 0.013 0.000 0.813 328 P CB -0.567 31.142 31.700 0.015 0.000 0.778 329 V N -3.429 116.498 119.914 0.023 0.000 3.141 329 V HA -0.130 nan 4.120 nan 0.000 0.265 329 V C 0.852 176.954 176.094 0.013 0.000 1.126 329 V CA 2.573 64.893 62.300 0.032 0.000 1.141 329 V CB -1.265 30.585 31.823 0.046 0.000 0.743 329 V HN 0.075 8.252 8.190 0.024 0.028 0.492 330 M N -4.217 115.376 119.600 -0.012 0.000 2.484 330 M HA 0.397 nan 4.480 nan 0.000 0.307 330 M C -0.117 176.148 176.300 -0.058 0.000 1.149 330 M CA -1.696 53.565 55.300 -0.065 0.000 0.972 330 M CB -1.188 31.380 32.600 -0.054 0.000 1.400 330 M HN 0.089 8.205 8.290 -0.001 0.174 0.508 331 Q N -1.981 117.804 119.800 -0.025 0.000 2.288 331 Q HA 0.222 nan 4.340 nan 0.000 0.256 331 Q C 0.187 176.183 176.000 -0.005 0.000 0.835 331 Q CA 0.307 56.097 55.803 -0.022 0.000 0.958 331 Q CB 2.197 30.927 28.738 -0.012 0.000 1.125 331 Q HN -0.444 7.639 8.270 -0.008 0.182 0.513 332 E N -1.873 118.336 120.200 0.014 0.000 2.392 332 E HA 0.188 nan 4.350 nan 0.000 0.269 332 E C -2.039 174.597 176.600 0.060 0.000 0.924 332 E CA -2.149 54.270 56.400 0.032 0.000 0.784 332 E CB 2.465 32.188 29.700 0.037 0.000 1.292 332 E HN -0.806 7.563 8.360 0.016 0.000 0.447 333 E N 0.824 121.065 120.200 0.068 0.000 2.351 333 E HA -0.114 nan 4.350 nan 0.000 0.266 333 E C -0.193 176.498 176.600 0.152 0.000 1.031 333 E CA -0.069 56.397 56.400 0.110 0.000 0.911 333 E CB 0.279 30.015 29.700 0.061 0.000 0.986 333 E HN 0.217 8.603 8.360 0.044 0.000 0.446 334 I N 7.808 128.488 120.570 0.184 0.000 2.308 334 I HA -0.071 nan 4.170 nan 0.000 0.293 334 I C -0.467 175.816 176.117 0.278 0.000 1.078 334 I CA 0.000 61.411 61.300 0.184 0.000 1.292 334 I CB 0.233 38.315 38.000 0.138 0.000 1.423 334 I HN 0.224 8.862 8.210 0.189 -0.314 0.493 335 F N 9.986 129.970 119.950 0.056 0.000 2.753 335 F HA 0.158 nan 4.527 nan 0.000 0.314 335 F C -1.178 174.654 175.800 0.053 0.000 1.215 335 F CA -2.546 55.482 58.000 0.047 0.000 1.243 335 F CB -0.555 38.481 39.000 0.060 0.000 1.400 335 F HN 0.332 8.836 8.300 0.341 0.000 0.548 336 G N -0.058 108.767 108.800 0.042 0.000 2.619 336 G HA2 0.251 nan 3.960 nan 0.000 0.305 336 G HA3 0.251 nan 3.960 nan 0.000 0.305 336 G C -2.847 172.046 174.900 -0.011 0.000 1.330 336 G CA -0.007 45.095 45.100 0.003 0.000 0.789 336 G HN -0.847 7.404 8.290 0.050 0.068 0.487 337 P HA 0.184 nan 4.420 nan 0.000 0.214 337 P C -2.111 175.372 177.300 0.305 0.000 1.807 337 P CA -0.475 62.762 63.100 0.228 0.000 0.921 337 P CB -1.194 30.798 31.700 0.486 0.000 1.835 338 V N 1.212 121.209 119.914 0.139 0.000 2.376 338 V HA 0.304 nan 4.120 nan 0.000 0.287 338 V C -1.618 174.546 176.094 0.117 0.000 1.015 338 V CA -1.269 61.125 62.300 0.158 0.000 0.834 338 V CB 1.175 33.063 31.823 0.108 0.000 1.001 338 V HN -0.580 7.568 8.190 0.060 0.077 0.428 339 M N 9.760 129.458 119.600 0.163 0.000 2.080 339 M HA 0.541 nan 4.480 nan 0.000 0.350 339 M C -3.120 173.263 176.300 0.138 0.000 1.143 339 M CA -3.925 51.450 55.300 0.125 0.000 1.064 339 M CB 1.779 34.461 32.600 0.136 0.000 1.429 339 M HN 0.242 8.683 8.290 0.252 0.000 0.418 340 P HA 0.382 nan 4.420 nan 0.000 0.281 340 P C -1.785 175.600 177.300 0.142 0.000 1.249 340 P CA -0.652 62.527 63.100 0.131 0.000 0.810 340 P CB 0.787 32.562 31.700 0.125 0.000 1.008 341 I N 0.838 121.469 120.570 0.102 0.000 2.439 341 I HA 0.453 nan 4.170 nan 0.000 0.283 341 I C -1.394 174.756 176.117 0.055 0.000 1.023 341 I CA -0.758 60.590 61.300 0.080 0.000 1.100 341 I CB 2.048 40.077 38.000 0.048 0.000 1.238 341 I HN -0.437 7.825 8.210 0.086 0.000 0.445 342 V N 7.898 127.842 119.914 0.051 0.000 2.532 342 V HA 0.334 nan 4.120 nan 0.000 0.295 342 V C -1.161 174.900 176.094 -0.054 0.000 1.041 342 V CA -1.232 61.055 62.300 -0.021 0.000 0.926 342 V CB 2.605 34.366 31.823 -0.104 0.000 0.992 342 V HN 0.772 9.019 8.190 0.096 0.000 0.457 343 C N 5.800 125.069 119.300 -0.051 0.000 2.329 343 C HA 0.738 nan 4.460 nan 0.000 0.329 343 C C -0.877 174.087 174.990 -0.043 0.000 1.275 343 C CA -1.050 57.945 59.018 -0.038 0.000 1.726 343 C CB -0.214 27.518 27.740 -0.012 0.000 2.291 343 C HN 0.249 8.456 8.230 -0.038 0.000 0.514 344 V N 0.588 120.491 119.914 -0.018 0.000 2.680 344 V HA 0.445 nan 4.120 nan 0.000 0.309 344 V C -1.042 175.081 176.094 0.049 0.000 1.052 344 V CA -2.843 59.467 62.300 0.015 0.000 0.908 344 V CB 1.860 33.704 31.823 0.036 0.000 1.001 344 V HN 0.701 8.772 8.190 -0.007 0.114 0.431 345 R N 1.783 122.314 120.500 0.051 0.000 2.153 345 R HA 0.007 nan 4.340 nan 0.000 0.218 345 R C -0.192 176.148 176.300 0.066 0.000 1.072 345 R CA 0.686 56.816 56.100 0.051 0.000 0.990 345 R CB 0.151 30.476 30.300 0.041 0.000 0.889 345 R HN -0.017 8.671 8.270 0.048 -0.389 0.452 346 S N -4.454 111.294 115.700 0.080 0.000 2.705 346 S HA 0.121 nan 4.470 nan 0.000 0.280 346 S C -0.371 174.282 174.600 0.087 0.000 1.174 346 S CA -1.014 57.236 58.200 0.084 0.000 0.823 346 S CB 2.637 65.868 63.200 0.052 0.000 1.162 346 S HN -0.597 7.760 8.310 0.079 0.000 0.487 347 L N 1.335 122.584 121.223 0.044 0.000 2.056 347 L HA -0.115 nan 4.340 nan 0.000 0.207 347 L C 0.694 177.513 176.870 -0.085 0.000 1.078 347 L CA 3.154 57.938 54.840 -0.093 0.000 0.749 347 L CB -0.424 41.564 42.059 -0.117 0.000 0.901 347 L HN 0.468 8.729 8.230 0.052 0.000 0.433 348 E N -1.451 118.733 120.200 -0.026 0.000 2.070 348 E HA -0.484 nan 4.350 nan 0.000 0.197 348 E C 1.928 178.537 176.600 0.016 0.000 1.004 348 E CA 3.385 59.780 56.400 -0.009 0.000 0.805 348 E CB -0.971 28.734 29.700 0.008 0.000 0.744 348 E HN 0.102 8.456 8.360 -0.010 0.000 0.451 349 E N -1.482 118.741 120.200 0.038 0.000 2.153 349 E HA -0.246 nan 4.350 nan 0.000 0.194 349 E C 2.031 178.696 176.600 0.108 0.000 0.988 349 E CA 2.640 59.086 56.400 0.076 0.000 0.811 349 E CB -0.279 29.467 29.700 0.077 0.000 0.746 349 E HN -0.560 7.735 8.360 0.035 0.086 0.466 350 A N -0.233 122.623 122.820 0.059 0.000 1.898 350 A HA -0.207 nan 4.320 nan 0.000 0.216 350 A C 2.069 179.716 177.584 0.104 0.000 1.181 350 A CA 2.923 55.004 52.037 0.072 0.000 0.620 350 A CB -0.751 18.200 19.000 -0.082 0.000 0.819 350 A HN -0.558 7.471 8.150 0.017 0.132 0.442 351 I N -1.363 119.214 120.570 0.013 0.000 2.179 351 I HA -0.646 nan 4.170 nan 0.000 0.242 351 I C 2.075 178.236 176.117 0.072 0.000 1.088 351 I CA 4.374 65.686 61.300 0.020 0.000 1.357 351 I CB -0.237 37.744 38.000 -0.032 0.000 1.051 351 I HN -0.039 8.146 8.210 -0.041 0.000 0.409 352 Q N -1.020 118.830 119.800 0.084 0.000 2.084 352 Q HA -0.396 nan 4.340 nan 0.000 0.202 352 Q C 2.625 178.694 176.000 0.115 0.000 0.978 352 Q CA 3.234 59.085 55.803 0.080 0.000 0.844 352 Q CB -0.044 28.739 28.738 0.075 0.000 0.898 352 Q HN -0.290 8.024 8.270 0.073 0.000 0.426 353 F N 0.625 120.599 119.950 0.039 0.000 2.026 353 F HA -0.410 nan 4.527 nan 0.000 0.296 353 F C 2.377 178.219 175.800 0.071 0.000 1.133 353 F CA 3.501 61.537 58.000 0.061 0.000 1.188 353 F CB 0.124 39.183 39.000 0.099 0.000 0.968 353 F HN -0.646 7.841 8.300 0.316 0.003 0.476 354 I N -0.634 120.134 120.570 0.330 0.000 2.151 354 I HA -0.698 nan 4.170 nan 0.000 0.243 354 I C 2.001 178.144 176.117 0.043 0.000 1.080 354 I CA 4.145 65.568 61.300 0.205 0.000 1.339 354 I CB -0.571 37.547 38.000 0.196 0.000 1.039 354 I HN 0.036 8.516 8.210 0.452 0.000 0.409 355 N N -0.592 118.125 118.700 0.029 0.000 2.573 355 N HA -0.182 nan 4.740 nan 0.000 0.187 355 N C 1.184 176.670 175.510 -0.040 0.000 1.107 355 N CA 2.200 55.247 53.050 -0.006 0.000 0.918 355 N CB -0.629 37.858 38.487 -0.001 0.000 0.966 355 N HN -0.024 8.392 8.380 0.060 0.000 0.448 356 Q N -2.695 117.055 119.800 -0.083 0.000 2.403 356 Q HA 0.012 nan 4.340 nan 0.000 0.203 356 Q C -0.398 175.521 176.000 -0.136 0.000 0.932 356 Q CA 0.284 56.019 55.803 -0.114 0.000 0.945 356 Q CB 0.421 29.068 28.738 -0.152 0.000 1.045 356 Q HN -0.428 7.599 8.270 -0.097 0.185 0.511 357 R N -0.609 119.816 120.500 -0.125 0.000 2.919 357 R HA 0.215 nan 4.340 nan 0.000 0.260 357 R C -1.427 174.844 176.300 -0.048 0.000 1.067 357 R CA -1.712 54.327 56.100 -0.102 0.000 1.003 357 R CB 1.678 31.902 30.300 -0.127 0.000 1.192 357 R HN -0.590 7.550 8.270 -0.102 0.069 0.488 358 E N 0.341 120.519 120.200 -0.035 0.000 2.467 358 E HA -0.086 nan 4.350 nan 0.000 0.264 358 E C -0.003 176.593 176.600 -0.006 0.000 1.020 358 E CA 0.092 56.480 56.400 -0.020 0.000 0.945 358 E CB 0.400 30.090 29.700 -0.015 0.000 0.942 358 E HN 0.164 8.499 8.360 -0.042 0.000 0.449 359 K N 2.334 122.728 120.400 -0.010 0.000 2.401 359 K HA 0.010 nan 4.320 nan 0.000 0.278 359 K C -1.828 174.773 176.600 0.001 0.000 1.018 359 K CA -1.135 55.147 56.287 -0.008 0.000 0.981 359 K CB -0.240 32.249 32.500 -0.019 0.000 0.933 359 K HN 0.208 8.448 8.250 -0.017 0.000 0.477 360 P HA 0.239 nan 4.420 nan 0.000 0.283 360 P C -0.446 176.855 177.300 0.000 0.000 1.271 360 P CA -1.303 61.808 63.100 0.017 0.000 0.841 360 P CB 1.491 33.210 31.700 0.032 0.000 1.122 361 L N -0.410 120.826 121.223 0.021 0.000 2.201 361 L HA -0.069 nan 4.340 nan 0.000 0.212 361 L C -1.393 175.512 176.870 0.058 0.000 1.105 361 L CA 1.582 56.446 54.840 0.039 0.000 0.775 361 L CB 0.522 42.631 42.059 0.083 0.000 0.913 361 L HN 0.573 8.826 8.230 0.039 0.000 0.440 362 A N -4.721 118.090 122.820 -0.015 0.000 2.594 362 A HA 0.561 nan 4.320 nan 0.000 0.291 362 A C -2.600 174.772 177.584 -0.354 0.000 1.105 362 A CA -0.737 51.193 52.037 -0.178 0.000 0.694 362 A CB 3.218 22.114 19.000 -0.173 0.000 1.291 362 A HN -0.881 7.236 8.150 -0.012 0.026 0.410 363 L N -1.001 119.860 121.223 -0.603 0.000 2.493 363 L HA 0.545 nan 4.340 nan 0.000 0.265 363 L C -2.499 173.978 176.870 -0.656 0.000 0.954 363 L CA -0.857 53.704 54.840 -0.465 0.000 0.844 363 L CB 3.511 45.432 42.059 -0.230 0.000 1.302 363 L HN 0.098 7.886 8.230 -0.736 0.000 0.405 364 Y N 3.079 123.348 120.300 -0.051 0.000 2.446 364 Y HA 0.551 nan 4.550 nan 0.000 0.345 364 Y C -1.443 174.446 175.900 -0.019 0.000 0.984 364 Y CA -1.826 56.227 58.100 -0.078 0.000 1.058 364 Y CB 3.314 41.789 38.460 0.026 0.000 1.220 364 Y HN -0.136 8.069 8.280 -0.124 0.000 0.455 365 V N -0.706 119.218 119.914 0.017 0.000 2.638 365 V HA 0.692 nan 4.120 nan 0.000 0.306 365 V C -1.890 174.126 176.094 -0.130 0.000 1.052 365 V CA -1.538 60.814 62.300 0.087 0.000 0.885 365 V CB 2.186 34.042 31.823 0.054 0.000 0.999 365 V HN 0.077 8.188 8.190 -0.131 0.000 0.424 366 F N 5.538 125.568 119.950 0.134 0.000 2.477 366 F HA 0.670 nan 4.527 nan 0.000 0.335 366 F C -1.978 173.863 175.800 0.070 0.000 1.130 366 F CA -1.509 56.532 58.000 0.068 0.000 0.948 366 F CB 2.208 41.219 39.000 0.018 0.000 1.154 366 F HN 0.643 9.193 8.300 0.416 0.000 0.439 367 S N 4.588 120.401 115.700 0.188 0.000 2.597 367 S HA 0.338 nan 4.470 nan 0.000 0.274 367 S C -1.645 173.010 174.600 0.092 0.000 1.132 367 S CA -0.326 57.958 58.200 0.140 0.000 0.835 367 S CB 2.199 65.487 63.200 0.148 0.000 1.092 367 S HN 0.494 9.268 8.310 0.137 -0.382 0.457 368 N N 1.553 120.298 118.700 0.076 0.000 2.388 368 N HA 0.102 nan 4.740 nan 0.000 0.176 368 N C -0.512 175.024 175.510 0.043 0.000 1.062 368 N CA 0.852 53.934 53.050 0.053 0.000 0.895 368 N CB 1.071 39.586 38.487 0.046 0.000 1.018 368 N HN 0.363 8.791 8.380 0.080 0.000 0.456 369 N N 1.159 119.889 118.700 0.051 0.000 2.415 369 N HA 0.014 nan 4.740 nan 0.000 0.250 369 N C 0.310 175.840 175.510 0.033 0.000 1.127 369 N CA -0.914 52.161 53.050 0.041 0.000 0.945 369 N CB 0.021 38.536 38.487 0.047 0.000 1.196 369 N HN -0.278 8.108 8.380 0.065 0.033 0.499 370 E N 8.249 128.461 120.200 0.021 0.000 2.086 370 E HA -0.475 nan 4.350 nan 0.000 0.200 370 E C 1.444 178.049 176.600 0.007 0.000 1.012 370 E CA 3.768 60.175 56.400 0.011 0.000 0.812 370 E CB 0.048 29.752 29.700 0.007 0.000 0.743 370 E HN 0.217 8.589 8.360 0.020 0.000 0.453 371 K N -1.598 118.807 120.400 0.009 0.000 2.160 371 K HA -0.320 nan 4.320 nan 0.000 0.206 371 K C 2.617 179.218 176.600 0.001 0.000 1.047 371 K CA 2.976 59.265 56.287 0.003 0.000 0.930 371 K CB -0.266 32.238 32.500 0.006 0.000 0.720 371 K HN -0.555 7.858 8.250 0.012 -0.157 0.450 372 V N 0.121 120.043 119.914 0.013 0.000 2.453 372 V HA -0.307 nan 4.120 nan 0.000 0.247 372 V C 1.788 177.880 176.094 -0.003 0.000 1.048 372 V CA 4.222 66.529 62.300 0.012 0.000 1.049 372 V CB -0.578 31.281 31.823 0.060 0.000 0.672 372 V HN 0.061 8.122 8.190 0.023 0.143 0.457 373 I N -0.690 119.884 120.570 0.007 0.000 2.179 373 I HA -0.554 nan 4.170 nan 0.000 0.242 373 I C 1.784 177.885 176.117 -0.027 0.000 1.088 373 I CA 3.972 65.267 61.300 -0.009 0.000 1.357 373 I CB -0.456 37.538 38.000 -0.011 0.000 1.051 373 I HN -0.912 7.215 8.210 0.016 0.093 0.409 374 K N -1.580 118.807 120.400 -0.023 0.000 2.097 374 K HA -0.302 nan 4.320 nan 0.000 0.205 374 K C 2.259 178.839 176.600 -0.033 0.000 1.050 374 K CA 2.258 58.529 56.287 -0.027 0.000 0.938 374 K CB -0.814 31.675 32.500 -0.019 0.000 0.718 374 K HN -0.021 8.221 8.250 -0.014 0.000 0.442 375 K N -0.379 120.000 120.400 -0.035 0.000 2.148 375 K HA -0.262 nan 4.320 nan 0.000 0.204 375 K C 2.513 179.077 176.600 -0.061 0.000 1.050 375 K CA 2.983 59.244 56.287 -0.043 0.000 0.942 375 K CB -0.099 32.376 32.500 -0.042 0.000 0.724 375 K HN -0.402 7.831 8.250 -0.029 0.000 0.446 376 M N -0.578 118.977 119.600 -0.076 0.000 2.099 376 M HA -0.322 nan 4.480 nan 0.000 0.262 376 M C 2.536 178.794 176.300 -0.070 0.000 1.067 376 M CA 2.833 58.076 55.300 -0.096 0.000 1.124 376 M CB -0.023 32.513 32.600 -0.106 0.000 1.353 376 M HN -0.565 7.669 8.290 -0.067 0.016 0.410 377 I N -0.137 120.397 120.570 -0.060 0.000 2.113 377 I HA -0.536 nan 4.170 nan 0.000 0.238 377 I C 1.809 177.898 176.117 -0.046 0.000 1.070 377 I CA 3.864 65.130 61.300 -0.056 0.000 1.332 377 I CB -0.364 37.604 38.000 -0.053 0.000 1.044 377 I HN -0.444 7.732 8.210 -0.057 0.000 0.402 378 A N -2.357 120.439 122.820 -0.040 0.000 2.186 378 A HA -0.206 nan 4.320 nan 0.000 0.219 378 A C 0.508 178.073 177.584 -0.032 0.000 1.159 378 A CA 2.552 54.569 52.037 -0.033 0.000 0.680 378 A CB -0.721 18.262 19.000 -0.028 0.000 0.787 378 A HN 0.190 8.316 8.150 -0.040 0.000 0.467 379 E N -4.481 115.697 120.200 -0.037 0.000 2.601 379 E HA 0.071 nan 4.350 nan 0.000 0.219 379 E C -0.543 176.039 176.600 -0.030 0.000 0.964 379 E CA -0.548 55.833 56.400 -0.033 0.000 1.050 379 E CB 1.029 30.708 29.700 -0.035 0.000 1.068 379 E HN -0.230 7.919 8.360 -0.044 0.185 0.496 380 T N -2.048 112.485 114.554 -0.034 0.000 2.888 380 T HA 0.441 nan 4.350 nan 0.000 0.288 380 T C -1.268 173.412 174.700 -0.033 0.000 1.063 380 T CA -2.141 59.942 62.100 -0.029 0.000 1.010 380 T CB 2.217 71.068 68.868 -0.029 0.000 1.214 380 T HN -0.595 7.621 8.240 -0.039 0.000 0.533 381 S N 0.738 116.421 115.700 -0.030 0.000 2.547 381 S HA 0.361 nan 4.470 nan 0.000 0.281 381 S C -1.820 172.758 174.600 -0.036 0.000 1.118 381 S CA -1.034 57.146 58.200 -0.034 0.000 0.947 381 S CB 1.352 64.534 63.200 -0.029 0.000 1.053 381 S HN 0.308 8.604 8.310 -0.022 0.000 0.482 382 S N 2.863 118.536 115.700 -0.044 0.000 2.587 382 S HA 0.405 nan 4.470 nan 0.000 0.269 382 S C -0.843 173.732 174.600 -0.042 0.000 1.154 382 S CA -0.698 57.474 58.200 -0.047 0.000 0.824 382 S CB 2.141 65.296 63.200 -0.074 0.000 1.118 382 S HN -0.259 8.023 8.310 -0.046 0.000 0.462 383 G N 2.020 110.803 108.800 -0.029 0.000 2.701 383 G HA2 -0.172 nan 3.960 nan 0.000 0.215 383 G HA3 -0.172 nan 3.960 nan 0.000 0.215 383 G C -0.273 174.636 174.900 0.015 0.000 1.297 383 G CA 1.358 46.447 45.100 -0.018 0.000 0.807 383 G HN 0.691 8.858 8.290 -0.026 0.108 0.608 384 G N -1.416 107.432 108.800 0.080 0.000 2.788 384 G HA2 0.287 nan 3.960 nan 0.000 0.293 384 G HA3 0.287 nan 3.960 nan 0.000 0.293 384 G C -2.702 172.101 174.900 -0.161 0.000 1.305 384 G CA -1.244 43.924 45.100 0.113 0.000 1.005 384 G HN -0.231 8.129 8.290 0.115 0.000 0.496 385 V N -2.988 116.733 119.914 -0.323 0.000 3.087 385 V HA 0.568 nan 4.120 nan 0.000 0.306 385 V C -1.188 174.609 176.094 -0.494 0.000 1.187 385 V CA -0.603 61.424 62.300 -0.455 0.000 0.999 385 V CB 4.297 35.984 31.823 -0.227 0.000 1.049 385 V HN -0.134 7.967 8.190 -0.149 0.000 0.431 386 T N 4.925 119.269 114.554 -0.349 0.000 3.143 386 T HA 0.300 nan 4.350 nan 0.000 0.312 386 T C -1.853 172.793 174.700 -0.090 0.000 0.986 386 T CA -0.343 61.684 62.100 -0.122 0.000 1.024 386 T CB 2.209 71.113 68.868 0.060 0.000 1.030 386 T HN 0.247 8.285 8.240 -0.337 0.000 0.448 387 A N 4.415 127.153 122.820 -0.137 0.000 2.260 387 A HA 0.468 nan 4.320 nan 0.000 0.308 387 A C -0.311 177.092 177.584 -0.301 0.000 1.254 387 A CA -0.454 51.457 52.037 -0.210 0.000 0.874 387 A CB 0.441 19.367 19.000 -0.123 0.000 1.153 387 A HN 0.299 8.387 8.150 -0.103 0.000 0.527 388 N N 0.516 118.818 118.700 -0.663 0.000 2.901 388 N HA -0.362 nan 4.740 nan 0.000 0.248 388 N C -2.147 173.173 175.510 -0.316 0.000 1.044 388 N CA 1.914 54.595 53.050 -0.614 0.000 0.847 388 N CB -0.500 37.913 38.487 -0.124 0.000 1.127 388 N HN 0.805 8.526 8.380 -0.929 0.101 0.562 389 D N -3.362 116.777 120.400 -0.435 0.000 2.851 389 D HA 0.170 nan 4.640 nan 0.000 0.339 389 D C -2.631 173.656 176.300 -0.022 0.000 1.347 389 D CA -0.872 53.156 54.000 0.046 0.000 0.888 389 D CB 2.927 43.776 40.800 0.082 0.000 1.431 389 D HN -0.796 7.108 8.370 -0.703 0.043 0.509 390 V N -1.414 118.536 119.914 0.059 0.000 3.048 390 V HA 0.364 nan 4.120 nan 0.000 0.303 390 V C 0.617 176.734 176.094 0.038 0.000 1.214 390 V CA -1.419 60.688 62.300 -0.323 0.000 0.984 390 V CB 3.360 34.929 31.823 -0.424 0.000 1.054 390 V HN 0.096 8.429 8.190 0.238 0.000 0.430 391 I N 1.891 122.551 120.570 0.150 0.000 4.205 391 I HA -0.555 nan 4.170 nan 0.000 0.094 391 I C 0.968 177.173 176.117 0.146 0.000 0.521 391 I CA 2.713 64.097 61.300 0.139 0.000 1.179 391 I CB -1.023 36.881 38.000 -0.160 0.000 1.046 391 I HN 0.351 8.723 8.210 0.269 0.000 0.179 392 V N 1.423 121.479 119.914 0.236 0.000 2.428 392 V HA -0.449 nan 4.120 nan 0.000 0.255 392 V C 1.549 177.711 176.094 0.114 0.000 1.080 392 V CA 3.666 66.073 62.300 0.178 0.000 1.083 392 V CB -0.643 31.304 31.823 0.206 0.000 0.665 392 V HN 0.144 8.386 8.190 0.287 0.120 0.461 393 H N -0.890 118.194 119.070 0.024 0.000 2.456 393 H HA -0.174 nan 4.556 nan 0.000 0.296 393 H C 2.304 177.594 175.328 -0.063 0.000 1.079 393 H CA 2.379 58.426 56.048 -0.003 0.000 1.322 393 H CB -1.336 28.441 29.762 0.026 0.000 1.388 393 H HN -0.487 8.168 8.280 0.677 0.031 0.538 394 I N -1.306 118.896 120.570 -0.613 0.000 3.291 394 I HA -0.076 nan 4.170 nan 0.000 0.279 394 I C 0.464 176.285 176.117 -0.494 0.000 1.294 394 I CA 0.285 61.182 61.300 -0.670 0.000 1.428 394 I CB -2.031 35.377 38.000 -0.988 0.000 1.070 394 I HN -0.299 7.491 8.210 -0.637 0.038 0.478 395 T N -5.876 108.460 114.554 -0.363 0.000 3.069 395 T HA 0.111 nan 4.350 nan 0.000 0.252 395 T C 0.193 174.776 174.700 -0.195 0.000 1.053 395 T CA -0.430 61.450 62.100 -0.367 0.000 0.964 395 T CB 0.679 69.391 68.868 -0.260 0.000 1.005 395 T HN -0.327 7.567 8.240 -0.254 0.194 0.532 396 V N 4.114 123.957 119.914 -0.119 0.000 2.364 396 V HA 0.419 nan 4.120 nan 0.000 0.272 396 V C -0.899 175.173 176.094 -0.037 0.000 1.036 396 V CA -3.271 59.001 62.300 -0.047 0.000 0.880 396 V CB -0.811 31.012 31.823 -0.001 0.000 0.991 396 V HN -0.730 7.333 8.190 -0.122 0.054 0.460 397 P HA -0.186 nan 4.420 nan 0.000 0.216 397 P C -0.076 177.254 177.300 0.049 0.000 1.150 397 P CA 2.371 65.481 63.100 0.017 0.000 0.837 397 P CB -0.191 31.535 31.700 0.043 0.000 0.786 398 T N -9.703 104.876 114.554 0.041 0.000 3.160 398 T HA -0.028 nan 4.350 nan 0.000 0.257 398 T C -0.152 174.564 174.700 0.026 0.000 1.147 398 T CA 0.516 62.638 62.100 0.038 0.000 1.064 398 T CB -0.846 68.044 68.868 0.037 0.000 0.949 398 T HN -0.261 7.981 8.240 0.032 0.017 0.526 399 L N 3.308 124.549 121.223 0.030 0.000 2.345 399 L HA 0.528 nan 4.340 nan 0.000 0.274 399 L C -2.480 174.412 176.870 0.037 0.000 0.999 399 L CA -3.129 51.731 54.840 0.033 0.000 0.849 399 L CB 1.810 43.899 42.059 0.049 0.000 1.220 399 L HN -0.222 7.832 8.230 0.031 0.195 0.422 400 P HA -0.069 nan 4.420 nan 0.000 0.268 400 P C -1.738 175.552 177.300 -0.016 0.000 1.205 400 P CA -0.323 62.760 63.100 -0.029 0.000 0.771 400 P CB 0.490 32.157 31.700 -0.056 0.000 0.858 401 F N 2.777 122.507 119.950 -0.366 0.000 2.426 401 F HA 0.146 nan 4.527 nan 0.000 0.348 401 F C -1.748 173.856 175.800 -0.326 0.000 1.124 401 F CA -1.776 55.965 58.000 -0.430 0.000 1.008 401 F CB 2.237 40.749 39.000 -0.813 0.000 1.139 401 F HN 0.008 8.240 8.300 -0.248 -0.081 0.452 402 G N 4.636 113.089 108.800 -0.578 0.000 2.466 402 G HA2 0.168 nan 3.960 nan 0.000 0.291 402 G HA3 0.168 nan 3.960 nan 0.000 0.291 402 G C -2.626 172.076 174.900 -0.330 0.000 1.460 402 G CA -0.093 44.662 45.100 -0.576 0.000 0.791 402 G HN -0.248 7.913 8.290 -0.216 0.000 0.505 403 G N -2.647 105.995 108.800 -0.263 0.000 2.702 403 G HA2 0.671 nan 3.960 nan 0.000 0.254 403 G HA3 0.671 nan 3.960 nan 0.000 0.254 403 G C -1.845 172.996 174.900 -0.099 0.000 1.380 403 G CA -1.355 43.659 45.100 -0.144 0.000 1.042 403 G HN -0.026 8.094 8.290 -0.283 0.000 0.557 404 V N -3.474 116.399 119.914 -0.069 0.000 3.147 404 V HA 0.374 nan 4.120 nan 0.000 0.306 404 V C 0.267 176.334 176.094 -0.044 0.000 1.209 404 V CA -1.367 60.900 62.300 -0.055 0.000 1.023 404 V CB 3.347 35.143 31.823 -0.045 0.000 1.059 404 V HN -0.345 7.809 8.190 -0.060 0.000 0.435 405 G N 2.916 111.692 108.800 -0.040 0.000 2.685 405 G HA2 -0.437 nan 3.960 nan 0.000 0.329 405 G HA3 -0.437 nan 3.960 nan 0.000 0.329 405 G C 0.948 175.829 174.900 -0.032 0.000 1.271 405 G CA 2.102 47.182 45.100 -0.033 0.000 1.003 405 G HN 0.259 8.524 8.290 -0.041 0.000 0.549 406 N N 3.237 121.921 118.700 -0.026 0.000 2.453 406 N HA -0.193 nan 4.740 nan 0.000 0.183 406 N C 1.708 177.205 175.510 -0.021 0.000 1.041 406 N CA 1.925 54.962 53.050 -0.021 0.000 0.900 406 N CB 0.088 38.566 38.487 -0.016 0.000 0.961 406 N HN 0.387 8.753 8.380 -0.024 0.000 0.443 407 S N -3.037 112.646 115.700 -0.028 0.000 2.561 407 S HA 0.049 nan 4.470 nan 0.000 0.225 407 S C 0.186 174.750 174.600 -0.060 0.000 0.977 407 S CA 0.617 58.795 58.200 -0.036 0.000 0.926 407 S CB -0.141 63.038 63.200 -0.035 0.000 0.769 407 S HN -0.005 8.255 8.310 -0.029 0.033 0.533 408 G N 0.611 109.379 108.800 -0.054 0.000 2.362 408 G HA2 -0.217 nan 3.960 nan 0.000 0.517 408 G HA3 -0.217 nan 3.960 nan 0.000 0.517 408 G C -2.807 172.048 174.900 -0.074 0.000 1.256 408 G CA -0.384 44.679 45.100 -0.061 0.000 1.027 408 G HN -0.410 7.684 8.290 -0.045 0.170 0.491 409 M N -2.387 117.164 119.600 -0.081 0.000 2.421 409 M HA 0.486 nan 4.480 nan 0.000 0.287 409 M C -1.733 174.509 176.300 -0.096 0.000 1.183 409 M CA -1.027 54.223 55.300 -0.083 0.000 0.916 409 M CB 2.637 35.199 32.600 -0.064 0.000 1.701 409 M HN 0.609 8.750 8.290 -0.078 0.103 0.470 410 G N 0.102 108.842 108.800 -0.101 0.000 2.661 410 G HA2 -0.285 nan 3.960 nan 0.000 0.685 410 G HA3 -0.285 nan 3.960 nan 0.000 0.685 410 G C -2.935 171.881 174.900 -0.140 0.000 1.298 410 G CA -0.446 44.591 45.100 -0.105 0.000 0.855 410 G HN 0.374 8.608 8.290 -0.094 0.000 0.560 411 A N -1.219 121.523 122.820 -0.129 0.000 2.583 411 A HA 0.653 nan 4.320 nan 0.000 0.289 411 A C -2.378 175.179 177.584 -0.044 0.000 1.151 411 A CA -0.692 51.258 52.037 -0.145 0.000 0.695 411 A CB 3.218 22.131 19.000 -0.145 0.000 1.290 411 A HN 0.056 8.132 8.150 -0.124 0.000 0.419 412 Y N -7.279 112.854 120.300 -0.278 0.000 3.146 412 Y HA 0.144 nan 4.550 nan 0.000 0.304 412 Y C -2.776 173.084 175.900 -0.066 0.000 0.996 412 Y CA -0.184 57.784 58.100 -0.221 0.000 1.278 412 Y CB 0.770 39.094 38.460 -0.227 0.000 1.375 412 Y HN -0.048 8.133 8.280 -0.294 -0.078 0.584 413 H N 0.883 119.849 119.070 -0.174 0.000 2.502 413 H HA -0.003 nan 4.556 nan 0.000 0.327 413 H C 0.402 175.713 175.328 -0.028 0.000 1.099 413 H CA -0.929 55.043 56.048 -0.127 0.000 1.323 413 H CB 0.663 30.304 29.762 -0.203 0.000 1.450 413 H HN -0.411 7.793 8.280 -0.249 -0.074 0.502 414 G N 4.786 113.704 108.800 0.196 0.000 2.531 414 G HA2 -0.496 nan 3.960 nan 0.000 0.274 414 G HA3 -0.496 nan 3.960 nan 0.000 0.274 414 G C 0.535 175.396 174.900 -0.065 0.000 1.159 414 G CA 0.967 46.178 45.100 0.184 0.000 0.969 414 G HN -0.179 8.608 8.290 0.248 -0.348 0.554 415 K N 3.879 124.027 120.400 -0.419 0.000 2.152 415 K HA -0.308 nan 4.320 nan 0.000 0.206 415 K C 1.591 177.899 176.600 -0.486 0.000 1.048 415 K CA 2.609 58.231 56.287 -1.108 0.000 0.933 415 K CB -0.388 31.477 32.500 -1.059 0.000 0.721 415 K HN 0.333 8.498 8.250 -0.141 0.000 0.447 416 K N -2.292 117.964 120.400 -0.240 0.000 2.280 416 K HA -0.236 nan 4.320 nan 0.000 0.202 416 K C 2.373 178.896 176.600 -0.128 0.000 1.047 416 K CA 2.099 58.293 56.287 -0.155 0.000 0.942 416 K CB -0.754 31.682 32.500 -0.107 0.000 0.739 416 K HN -0.544 7.580 8.250 -0.187 0.014 0.457 417 S N 0.011 115.680 115.700 -0.051 0.000 2.357 417 S HA -0.199 nan 4.470 nan 0.000 0.221 417 S C 1.373 175.988 174.600 0.025 0.000 1.031 417 S CA 3.184 61.397 58.200 0.023 0.000 0.982 417 S CB -0.144 63.220 63.200 0.274 0.000 0.853 417 S HN -0.273 7.834 8.310 -0.048 0.175 0.458 418 F N 2.456 122.350 119.950 -0.093 0.000 2.126 418 F HA -0.393 nan 4.527 nan 0.000 0.299 418 F C 1.395 177.137 175.800 -0.096 0.000 1.096 418 F CA 3.378 61.359 58.000 -0.033 0.000 1.255 418 F CB 0.247 39.170 39.000 -0.129 0.000 0.997 418 F HN -0.694 7.660 8.300 0.090 0.000 0.479 419 E N -2.088 118.111 120.200 -0.000 0.000 2.047 419 E HA -0.385 nan 4.350 nan 0.000 0.191 419 E C 2.905 179.380 176.600 -0.207 0.000 0.987 419 E CA 3.133 59.479 56.400 -0.090 0.000 0.799 419 E CB -0.280 29.373 29.700 -0.080 0.000 0.752 419 E HN -0.030 8.323 8.360 0.001 0.008 0.449 420 T N 2.443 116.824 114.554 -0.289 0.000 2.720 420 T HA -0.239 nan 4.350 nan 0.000 0.268 420 T C 1.053 175.400 174.700 -0.587 0.000 1.037 420 T CA 4.032 65.867 62.100 -0.442 0.000 1.144 420 T CB -0.183 68.320 68.868 -0.608 0.000 0.864 420 T HN -0.548 7.535 8.240 -0.263 0.000 0.444 421 F N -2.685 117.059 119.950 -0.343 0.000 2.693 421 F HA 0.174 nan 4.527 nan 0.000 0.303 421 F C -1.759 173.844 175.800 -0.329 0.000 1.143 421 F CA -1.038 56.718 58.000 -0.406 0.000 1.389 421 F CB -0.371 38.451 39.000 -0.297 0.000 1.060 421 F HN -0.341 7.722 8.300 -0.396 0.000 0.535 422 S N -2.605 112.989 115.700 -0.177 0.000 2.651 422 S HA 0.323 nan 4.470 nan 0.000 0.279 422 S C -1.650 172.915 174.600 -0.057 0.000 1.148 422 S CA -1.212 56.887 58.200 -0.168 0.000 0.837 422 S CB 2.572 65.530 63.200 -0.405 0.000 1.138 422 S HN -0.574 7.420 8.310 -0.218 0.185 0.478 423 H N 1.443 120.460 119.070 -0.089 0.000 2.458 423 H HA 0.147 nan 4.556 nan 0.000 0.330 423 H C -1.478 173.832 175.328 -0.030 0.000 1.111 423 H CA -1.111 54.915 56.048 -0.037 0.000 1.245 423 H CB 2.601 32.365 29.762 0.004 0.000 1.456 423 H HN 0.632 8.848 8.280 0.069 0.105 0.488 424 R N 5.050 125.186 120.500 -0.607 0.000 2.346 424 R HA 0.159 nan 4.340 nan 0.000 0.309 424 R C -1.053 174.914 176.300 -0.555 0.000 1.119 424 R CA -1.414 54.444 56.100 -0.404 0.000 1.112 424 R CB 0.073 30.244 30.300 -0.216 0.000 1.132 424 R HN 0.539 8.429 8.270 -0.634 0.000 0.538 425 R N 5.450 125.753 120.500 -0.328 0.000 2.248 425 R HA 0.026 nan 4.340 nan 0.000 0.328 425 R C -1.031 175.267 176.300 -0.003 0.000 1.067 425 R CA -0.273 55.792 56.100 -0.058 0.000 0.924 425 R CB 1.059 31.497 30.300 0.231 0.000 1.013 425 R HN 0.829 8.907 8.270 -0.175 0.087 0.454 426 S N 6.051 121.733 115.700 -0.030 0.000 2.481 426 S HA 0.203 nan 4.470 nan 0.000 0.276 426 S C -0.566 173.963 174.600 -0.120 0.000 1.247 426 S CA 1.095 59.257 58.200 -0.064 0.000 1.053 426 S CB 0.312 63.484 63.200 -0.046 0.000 0.925 426 S HN 0.343 8.642 8.310 -0.018 0.000 0.491 427 C N 7.064 126.197 119.300 -0.278 0.000 2.455 427 C HA 0.329 nan 4.460 nan 0.000 0.320 427 C C -1.603 173.147 174.990 -0.400 0.000 1.226 427 C CA -1.093 57.680 59.018 -0.409 0.000 1.569 427 C CB 1.991 29.265 27.740 -0.777 0.000 2.200 427 C HN 0.688 8.727 8.230 -0.318 0.000 0.491 428 L N 4.034 125.121 121.223 -0.226 0.000 2.345 428 L HA 0.648 nan 4.340 nan 0.000 0.274 428 L C -1.682 175.138 176.870 -0.083 0.000 0.999 428 L CA -0.741 54.022 54.840 -0.128 0.000 0.849 428 L CB 1.687 43.702 42.059 -0.074 0.000 1.220 428 L HN 0.235 8.358 8.230 -0.178 0.000 0.422 429 V N 7.592 127.483 119.914 -0.039 0.000 2.427 429 V HA 0.237 nan 4.120 nan 0.000 0.286 429 V C -1.130 174.993 176.094 0.047 0.000 1.034 429 V CA -0.703 61.612 62.300 0.025 0.000 0.893 429 V CB 1.498 33.383 31.823 0.104 0.000 0.982 429 V HN 0.988 9.057 8.190 -0.028 0.104 0.452 430 K N 6.464 126.891 120.400 0.046 0.000 3.206 430 K HA 0.272 nan 4.320 nan 0.000 0.180 430 K C -0.811 175.823 176.600 0.057 0.000 1.088 430 K CA -0.493 55.829 56.287 0.059 0.000 0.872 430 K CB -0.311 32.232 32.500 0.072 0.000 0.976 430 K HN 0.455 8.728 8.250 0.038 0.000 0.564 431 S N -0.904 114.828 115.700 0.054 0.000 2.462 431 S HA -0.250 nan 4.470 nan 0.000 0.243 431 S C -0.216 174.409 174.600 0.042 0.000 1.003 431 S CA 1.652 59.880 58.200 0.046 0.000 0.970 431 S CB -0.072 63.155 63.200 0.046 0.000 0.762 431 S HN -0.160 8.185 8.310 0.060 0.000 0.510 432 L N 0.616 121.866 121.223 0.045 0.000 2.536 432 L HA -0.036 nan 4.340 nan 0.000 0.282 432 L C -0.702 176.194 176.870 0.043 0.000 1.174 432 L CA 0.365 55.227 54.840 0.037 0.000 0.989 432 L CB -0.068 42.011 42.059 0.035 0.000 1.311 432 L HN -0.617 7.584 8.230 0.049 0.058 0.455 433 L N 4.267 125.513 121.223 0.038 0.000 2.599 433 L HA -0.022 nan 4.340 nan 0.000 0.230 433 L C -0.494 176.392 176.870 0.027 0.000 1.141 433 L CA 0.239 55.105 54.840 0.043 0.000 0.877 433 L CB -0.158 41.923 42.059 0.036 0.000 1.009 433 L HN 0.078 8.327 8.230 0.031 0.000 0.447 434 N N -1.630 117.077 118.700 0.012 0.000 2.681 434 N HA 0.023 nan 4.740 nan 0.000 0.311 434 N C -0.565 174.924 175.510 -0.034 0.000 1.303 434 N CA -0.901 52.144 53.050 -0.008 0.000 0.926 434 N CB 0.494 38.978 38.487 -0.004 0.000 1.136 434 N HN -0.702 7.579 8.380 0.016 0.109 0.592 435 E N -3.337 116.837 120.200 -0.044 0.000 2.228 435 E HA -0.258 nan 4.350 nan 0.000 0.213 435 E C -0.571 175.940 176.600 -0.148 0.000 1.282 435 E CA 0.812 57.171 56.400 -0.069 0.000 0.707 435 E CB -1.668 28.002 29.700 -0.050 0.000 1.150 435 E HN 0.388 8.730 8.360 -0.030 0.000 0.362 436 E N -0.169 119.941 120.200 -0.149 0.000 1.999 436 E HA -0.013 nan 4.350 nan 0.000 0.296 436 E C -0.437 176.036 176.600 -0.211 0.000 1.187 436 E CA -0.794 55.453 56.400 -0.256 0.000 1.229 436 E CB -0.565 29.083 29.700 -0.087 0.000 1.131 436 E HN 0.129 8.436 8.360 -0.088 0.000 0.478 437 A N 5.982 128.636 122.820 -0.276 0.000 3.105 437 A HA 0.271 nan 4.320 nan 0.000 0.272 437 A C -0.455 177.118 177.584 -0.019 0.000 1.466 437 A CA -0.430 51.548 52.037 -0.099 0.000 1.101 437 A CB -1.011 17.953 19.000 -0.060 0.000 1.065 437 A HN -0.009 7.870 8.150 -0.366 0.050 0.643 438 H N -1.219 117.920 119.070 0.115 0.000 2.586 438 H HA 0.151 nan 4.556 nan 0.000 0.273 438 H C 1.568 176.987 175.328 0.151 0.000 0.997 438 H CA -0.375 55.728 56.048 0.091 0.000 1.177 438 H CB 0.619 30.453 29.762 0.120 0.000 1.471 438 H HN -0.563 7.633 8.280 0.031 0.103 0.538 439 K N 0.511 121.097 120.400 0.310 0.000 2.090 439 K HA -0.447 nan 4.320 nan 0.000 0.218 439 K C 1.516 178.251 176.600 0.225 0.000 1.055 439 K CA 2.940 59.399 56.287 0.287 0.000 0.941 439 K CB -0.894 31.691 32.500 0.141 0.000 0.722 439 K HN 0.077 8.394 8.250 0.219 0.064 0.458 440 A N -2.870 120.021 122.820 0.118 0.000 2.178 440 A HA -0.106 nan 4.320 nan 0.000 0.218 440 A C 1.193 178.782 177.584 0.008 0.000 1.157 440 A CA 2.002 54.074 52.037 0.060 0.000 0.689 440 A CB -0.851 18.171 19.000 0.036 0.000 0.787 440 A HN 0.062 8.268 8.150 0.111 0.010 0.465 441 R N -3.438 117.020 120.500 -0.069 0.000 2.189 441 R HA -0.045 nan 4.340 nan 0.000 0.203 441 R C 0.198 176.368 176.300 -0.217 0.000 1.012 441 R CA 0.548 56.520 56.100 -0.214 0.000 1.015 441 R CB 0.618 30.680 30.300 -0.396 0.000 0.938 441 R HN 0.150 8.211 8.270 -0.042 0.184 0.472 442 Y N 1.584 121.896 120.300 0.020 0.000 2.301 442 Y HA 0.214 nan 4.550 nan 0.000 0.325 442 Y C -1.520 174.387 175.900 0.011 0.000 1.203 442 Y CA -2.468 55.641 58.100 0.014 0.000 1.255 442 Y CB -0.943 37.530 38.460 0.023 0.000 1.232 442 Y HN -0.749 7.566 8.280 0.059 0.000 0.501 443 P HA 0.227 nan 4.420 nan 0.000 0.275 443 P C -2.395 174.959 177.300 0.090 0.000 1.266 443 P CA -1.188 61.968 63.100 0.094 0.000 0.793 443 P CB -0.314 31.426 31.700 0.067 0.000 1.074 444 P HA 0.212 nan 4.420 nan 0.000 0.271 444 P C -1.690 175.632 177.300 0.038 0.000 1.218 444 P CA -0.333 62.791 63.100 0.040 0.000 0.780 444 P CB 0.358 32.075 31.700 0.027 0.000 0.901 445 S N 2.067 117.784 115.700 0.028 0.000 2.562 445 S HA 0.217 nan 4.470 nan 0.000 0.281 445 S C -1.955 172.657 174.600 0.019 0.000 1.333 445 S CA -0.893 57.320 58.200 0.022 0.000 1.052 445 S CB -0.640 62.569 63.200 0.015 0.000 0.884 445 S HN 0.042 8.366 8.310 0.025 0.000 0.506 446 P HA 0.071 nan 4.420 nan 0.000 0.264 446 P C -1.376 175.932 177.300 0.012 0.000 1.183 446 P CA 0.058 63.168 63.100 0.016 0.000 0.763 446 P CB 0.608 32.317 31.700 0.014 0.000 0.807 447 A N 0.000 122.826 122.820 0.011 0.000 2.254 447 A HA 0.000 nan 4.320 nan 0.000 0.244 447 A CA 0.000 52.042 52.037 0.008 0.000 0.836 447 A CB 0.000 19.005 19.000 0.008 0.000 0.831 447 A HN 0.000 8.157 8.150 0.012 0.000 0.486