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 3dax_1_B DATA FIRST_RESID 24 DATA SEQUENCE SRRRQTGEPP LENGLIPYLG CALQFGANPL EFLRANQRKH GHVFTCKLMG DATA SEQUENCE KYVHFITNPL SYHKVLCHGK YFDWKKFHFA TSAKAFGHRS IDPMDGNTTE DATA SEQUENCE NINDTFIKTL QGHALNSLTE SMMENLQRIM RXXXXXXXXX AAWVTEGMYS DATA SEQUENCE FCYRVMFEAG YLTIFGRDLT RRDTQKAHIL NNLDNFKQFD KVFPALVAGL DATA SEQUENCE PIHMFRTAHN AREKLAESLR HENLQKRESI SELISLRMFL NDTLSTFDDL DATA SEQUENCE EKAKTHLVVL WASQANTIPA TFWSLFQMIR NPEAMKAATE EVKRTLENAG DATA SEQUENCE QKVSLEGNPI CLSQAELNDL PVLDSIIKES LRLSSASLNI RTAKEDFTLH DATA SEQUENCE LEDGSYNIRK DDIIALYPQL MHLDPEIYPD PLTFKYDRYL DENGKTKTTF DATA SEQUENCE YCNGLKLKYY YMPFGSGATI CPGRLFAIHE IKQFLILMLS YFELELIEGQ DATA SEQUENCE AKCPPLDQSR AGLGILPPLN DIEFKYKFK 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 24 S HA 0.000 nan 4.470 nan 0.000 0.327 24 S C 0.000 174.617 174.600 0.028 0.000 1.055 24 S CA 0.000 58.232 58.200 0.053 0.000 1.107 24 S CB 0.000 63.236 63.200 0.059 0.000 0.593 25 R N 1.331 121.847 120.500 0.026 0.000 2.442 25 R HA 0.400 4.623 4.340 -0.194 0.000 0.291 25 R C -0.356 175.920 176.300 -0.040 0.000 1.069 25 R CA -0.114 55.938 56.100 -0.080 0.000 1.022 25 R CB 0.362 30.455 30.300 -0.344 0.000 0.976 25 R HN 0.741 nan 8.270 nan 0.000 0.443 26 R N 2.756 123.225 120.500 -0.052 0.000 2.832 26 R HA 0.314 4.538 4.340 -0.194 0.000 0.271 26 R C -0.402 175.872 176.300 -0.043 0.000 0.996 26 R CA -1.080 55.005 56.100 -0.026 0.000 0.977 26 R CB 1.565 31.859 30.300 -0.011 0.000 1.168 26 R HN 0.504 nan 8.270 nan 0.000 0.482 27 R N 2.124 122.613 120.500 -0.018 0.000 2.449 27 R HA 0.012 4.236 4.340 -0.194 0.000 0.296 27 R C -0.588 175.703 176.300 -0.015 0.000 1.047 27 R CA 0.566 56.658 56.100 -0.013 0.000 1.018 27 R CB 0.608 30.911 30.300 0.006 0.000 0.962 27 R HN 0.570 nan 8.270 nan 0.000 0.428 28 Q N 1.026 120.812 119.800 -0.023 0.000 2.385 28 Q HA 0.187 4.411 4.340 -0.194 0.000 0.262 28 Q C -0.520 175.466 176.000 -0.023 0.000 1.050 28 Q CA -0.769 55.020 55.803 -0.024 0.000 0.903 28 Q CB 1.675 30.393 28.738 -0.034 0.000 1.325 28 Q HN 0.578 nan 8.270 nan 0.000 0.485 29 T N -0.505 114.033 114.554 -0.026 0.000 2.905 29 T HA 0.183 4.417 4.350 -0.194 0.000 0.299 29 T C 1.086 175.759 174.700 -0.044 0.000 1.024 29 T CA 1.681 63.764 62.100 -0.029 0.000 1.151 29 T CB -0.484 68.368 68.868 -0.028 0.000 0.987 29 T HN 0.814 nan 8.240 nan 0.000 0.535 30 G N 3.825 112.598 108.800 -0.046 0.000 2.212 30 G HA2 -0.219 3.625 3.960 -0.194 0.000 0.266 30 G HA3 -0.219 3.625 3.960 -0.194 0.000 0.266 30 G C 0.061 174.932 174.900 -0.048 0.000 0.978 30 G CA 0.509 45.565 45.100 -0.073 0.000 0.632 30 G HN 0.766 nan 8.290 nan 0.000 0.537 31 E N 1.394 121.583 120.200 -0.018 0.000 2.373 31 E HA 0.373 4.607 4.350 -0.194 0.000 0.263 31 E C -2.137 174.520 176.600 0.095 0.000 1.073 31 E CA -1.724 54.681 56.400 0.009 0.000 0.894 31 E CB 0.659 30.358 29.700 -0.001 0.000 1.008 31 E HN 0.190 nan 8.360 nan 0.000 0.420 32 P HA 0.045 nan 4.420 nan 0.000 0.271 32 P C -2.533 174.812 177.300 0.076 0.000 1.233 32 P CA -1.051 62.130 63.100 0.135 0.000 0.789 32 P CB -0.420 31.305 31.700 0.041 0.000 0.951 33 P HA -0.018 nan 4.420 nan 0.000 0.262 33 P C -0.674 176.550 177.300 -0.127 0.000 1.182 33 P CA 0.415 63.447 63.100 -0.114 0.000 0.761 33 P CB 0.084 31.588 31.700 -0.326 0.000 0.795 34 L N 3.708 124.883 121.223 -0.081 0.000 2.265 34 L HA 0.374 4.598 4.340 -0.194 0.000 0.289 34 L C 0.018 176.886 176.870 -0.004 0.000 1.033 34 L CA -0.650 54.193 54.840 0.004 0.000 0.814 34 L CB 0.682 42.769 42.059 0.046 0.000 1.203 34 L HN 0.158 nan 8.230 nan 0.000 0.423 35 E N 3.674 123.902 120.200 0.046 0.000 2.223 35 E HA 0.342 4.576 4.350 -0.194 0.000 0.282 35 E C 0.238 176.914 176.600 0.126 0.000 1.046 35 E CA 0.350 56.813 56.400 0.104 0.000 0.857 35 E CB 0.419 30.212 29.700 0.156 0.000 1.055 35 E HN 0.760 nan 8.360 nan 0.000 0.409 36 N N 2.594 121.360 118.700 0.110 0.000 2.513 36 N HA 0.526 5.149 4.740 -0.194 0.000 0.268 36 N C 0.427 175.994 175.510 0.094 0.000 1.180 36 N CA 0.159 53.266 53.050 0.096 0.000 0.948 36 N CB 0.783 39.315 38.487 0.075 0.000 1.083 36 N HN 0.800 nan 8.380 nan 0.000 0.455 37 G N -0.134 108.708 108.800 0.071 0.000 2.653 37 G HA2 0.240 4.083 3.960 -0.194 0.000 0.656 37 G HA3 0.240 4.083 3.960 -0.194 0.000 0.656 37 G C -0.997 173.915 174.900 0.020 0.000 1.419 37 G CA -0.841 44.287 45.100 0.046 0.000 0.862 37 G HN 0.844 nan 8.290 nan 0.000 0.639 38 L N 1.796 123.011 121.223 -0.012 0.000 2.290 38 L HA 0.629 4.853 4.340 -0.194 0.000 0.284 38 L C 0.265 177.096 176.870 -0.065 0.000 1.078 38 L CA -0.656 54.161 54.840 -0.038 0.000 0.815 38 L CB 0.827 42.865 42.059 -0.034 0.000 1.162 38 L HN 0.464 nan 8.230 nan 0.000 0.435 39 I N 6.040 126.568 120.570 -0.070 0.000 2.437 39 I HA 0.247 4.301 4.170 -0.194 0.000 0.279 39 I C -1.760 174.313 176.117 -0.074 0.000 1.028 39 I CA -1.573 59.659 61.300 -0.114 0.000 1.142 39 I CB 1.560 39.487 38.000 -0.121 0.000 1.266 39 I HN 0.425 nan 8.210 nan 0.000 0.461 40 P HA -0.085 nan 4.420 nan 0.000 0.216 40 P C -0.795 176.606 177.300 0.169 0.000 1.153 40 P CA 1.367 64.486 63.100 0.031 0.000 0.848 40 P CB 0.066 31.790 31.700 0.040 0.000 0.787 41 Y N -6.870 113.414 120.300 -0.028 0.000 2.677 41 Y HA 0.375 4.808 4.550 -0.195 0.000 0.334 41 Y C 0.639 176.527 175.900 -0.021 0.000 1.196 41 Y CA -1.092 57.005 58.100 -0.005 0.000 1.059 41 Y CB -0.064 38.394 38.460 -0.003 0.000 1.315 41 Y HN -0.399 nan 8.280 nan 0.000 0.455 42 L N 1.452 122.749 121.223 0.123 0.000 2.046 42 L HA -0.010 4.214 4.340 -0.194 0.000 0.208 42 L C 2.137 178.980 176.870 -0.045 0.000 1.077 42 L CA 1.854 56.702 54.840 0.014 0.000 0.747 42 L CB -0.466 41.650 42.059 0.094 0.000 0.896 42 L HN 1.121 nan 8.230 nan 0.000 0.432 43 G N -1.405 107.449 108.800 0.091 0.000 2.956 43 G HA2 -0.115 3.729 3.960 -0.194 0.000 0.207 43 G HA3 -0.115 3.729 3.960 -0.194 0.000 0.207 43 G C 0.521 175.330 174.900 -0.153 0.000 1.162 43 G CA -0.308 44.824 45.100 0.053 0.000 0.796 43 G HN 0.328 nan 8.290 nan 0.000 0.527 44 C N 0.095 119.012 119.300 -0.639 0.000 2.676 44 C HA 0.441 4.785 4.460 -0.194 0.000 0.416 44 C C 1.798 176.557 174.990 -0.386 0.000 1.299 44 C CA 0.585 59.113 59.018 -0.816 0.000 2.048 44 C CB -0.199 26.877 27.740 -1.108 0.000 2.713 44 C HN 1.508 nan 8.230 nan 0.000 0.624 45 A N 4.030 126.661 122.820 -0.314 0.000 2.887 45 A HA -0.222 3.981 4.320 -0.194 0.000 0.257 45 A C 1.063 178.518 177.584 -0.214 0.000 1.372 45 A CA 1.022 52.904 52.037 -0.257 0.000 0.879 45 A CB -2.058 16.915 19.000 -0.046 0.000 1.082 45 A HN 1.168 nan 8.150 nan 0.000 0.703 46 L N 0.117 121.221 121.223 -0.199 0.000 2.079 46 L HA -0.254 3.970 4.340 -0.194 0.000 0.210 46 L C 2.934 179.719 176.870 -0.142 0.000 1.081 46 L CA 2.970 57.734 54.840 -0.127 0.000 0.752 46 L CB -0.481 41.526 42.059 -0.086 0.000 0.896 46 L HN 0.793 nan 8.230 nan 0.000 0.433 47 Q N -1.901 117.736 119.800 -0.272 0.000 2.234 47 Q HA -0.229 3.994 4.340 -0.194 0.000 0.206 47 Q C 1.641 177.537 176.000 -0.174 0.000 0.980 47 Q CA 1.873 57.498 55.803 -0.297 0.000 0.869 47 Q CB -0.651 27.810 28.738 -0.460 0.000 0.912 47 Q HN 0.542 nan 8.270 nan 0.000 0.436 48 F N 0.169 120.094 119.950 -0.040 0.000 2.693 48 F HA 0.382 4.794 4.527 -0.191 0.000 0.303 48 F C 1.127 176.903 175.800 -0.040 0.000 1.097 48 F CA -0.102 57.874 58.000 -0.041 0.000 1.330 48 F CB 0.959 39.927 39.000 -0.053 0.000 1.067 48 F HN 0.288 nan 8.300 nan 0.000 0.565 49 G N 0.997 109.851 108.800 0.090 0.000 2.131 49 G HA2 -0.167 3.676 3.960 -0.194 0.000 0.223 49 G HA3 -0.167 3.676 3.960 -0.194 0.000 0.223 49 G C 0.258 175.171 174.900 0.022 0.000 0.990 49 G CA -0.273 44.855 45.100 0.047 0.000 0.671 49 G HN 0.560 nan 8.290 nan 0.000 0.521 50 A N -0.126 122.693 122.820 -0.002 0.000 2.483 50 A HA 0.539 4.743 4.320 -0.194 0.000 0.238 50 A C 0.579 178.145 177.584 -0.029 0.000 1.070 50 A CA 0.822 52.831 52.037 -0.046 0.000 0.770 50 A CB 0.380 19.311 19.000 -0.114 0.000 1.008 50 A HN 1.015 nan 8.150 nan 0.000 0.497 51 N N 2.172 120.863 118.700 -0.014 0.000 2.607 51 N HA 0.306 4.930 4.740 -0.194 0.000 0.271 51 N C -2.555 172.979 175.510 0.040 0.000 1.142 51 N CA -1.732 51.329 53.050 0.018 0.000 0.810 51 N CB 1.651 40.159 38.487 0.035 0.000 1.306 51 N HN 0.084 nan 8.380 nan 0.000 0.536 52 P HA -0.152 nan 4.420 nan 0.000 0.215 52 P C 1.704 179.013 177.300 0.015 0.000 1.157 52 P CA 0.614 63.717 63.100 0.005 0.000 0.874 52 P CB 0.487 32.178 31.700 -0.015 0.000 0.790 53 L N 0.280 121.540 121.223 0.060 0.000 1.970 53 L HA -0.190 4.033 4.340 -0.194 0.000 0.212 53 L C 2.079 178.979 176.870 0.049 0.000 1.071 53 L CA 2.095 56.991 54.840 0.093 0.000 0.751 53 L CB -1.421 40.726 42.059 0.146 0.000 0.889 53 L HN -0.120 nan 8.230 nan 0.000 0.432 54 E N -0.878 119.355 120.200 0.054 0.000 2.153 54 E HA -0.250 3.983 4.350 -0.194 0.000 0.194 54 E C 2.105 178.709 176.600 0.006 0.000 0.988 54 E CA 1.333 57.749 56.400 0.028 0.000 0.811 54 E CB -0.558 29.164 29.700 0.036 0.000 0.746 54 E HN 0.585 nan 8.360 nan 0.000 0.466 55 F N 1.408 121.293 119.950 -0.110 0.000 2.102 55 F HA -0.140 4.270 4.527 -0.196 0.000 0.298 55 F C 2.100 177.773 175.800 -0.212 0.000 1.105 55 F CA 1.135 59.044 58.000 -0.151 0.000 1.239 55 F CB -0.291 38.620 39.000 -0.148 0.000 0.991 55 F HN -0.091 nan 8.300 nan 0.000 0.474 56 L N -0.047 121.019 121.223 -0.262 0.000 2.017 56 L HA -0.205 4.019 4.340 -0.194 0.000 0.208 56 L C 2.672 179.380 176.870 -0.270 0.000 1.073 56 L CA 1.507 56.140 54.840 -0.345 0.000 0.745 56 L CB -0.716 41.188 42.059 -0.258 0.000 0.894 56 L HN 0.054 nan 8.230 nan 0.000 0.432 57 R N 0.004 120.418 120.500 -0.144 0.000 2.091 57 R HA -0.181 4.043 4.340 -0.194 0.000 0.238 57 R C 2.431 178.601 176.300 -0.216 0.000 1.136 57 R CA 1.483 57.518 56.100 -0.108 0.000 0.959 57 R CB -0.563 29.716 30.300 -0.036 0.000 0.856 57 R HN 0.376 nan 8.270 nan 0.000 0.437 58 A N 1.347 123.999 122.820 -0.279 0.000 1.933 58 A HA -0.168 4.036 4.320 -0.194 0.000 0.218 58 A C 1.766 179.058 177.584 -0.486 0.000 1.175 58 A CA 1.409 53.254 52.037 -0.320 0.000 0.628 58 A CB -0.451 18.385 19.000 -0.272 0.000 0.814 58 A HN 0.299 nan 8.150 nan 0.000 0.444 59 N N -0.430 117.824 118.700 -0.743 0.000 2.188 59 N HA -0.160 4.464 4.740 -0.194 0.000 0.184 59 N C 1.943 176.945 175.510 -0.845 0.000 1.018 59 N CA 1.380 53.808 53.050 -1.036 0.000 0.858 59 N CB -0.287 37.090 38.487 -1.851 0.000 0.989 59 N HN 0.652 nan 8.380 nan 0.000 0.426 60 Q N 0.895 120.368 119.800 -0.545 0.000 2.014 60 Q HA -0.099 4.125 4.340 -0.194 0.000 0.207 60 Q C 2.190 178.056 176.000 -0.223 0.000 0.993 60 Q CA 1.416 57.110 55.803 -0.182 0.000 0.850 60 Q CB -0.059 28.654 28.738 -0.042 0.000 0.916 60 Q HN 0.317 nan 8.270 nan 0.000 0.417 61 R N 0.445 120.804 120.500 -0.234 0.000 2.096 61 R HA -0.161 4.063 4.340 -0.194 0.000 0.240 61 R C 2.275 178.439 176.300 -0.227 0.000 1.139 61 R CA 1.462 57.443 56.100 -0.198 0.000 0.952 61 R CB -0.176 30.021 30.300 -0.171 0.000 0.854 61 R HN 0.158 nan 8.270 nan 0.000 0.436 62 K N -0.939 119.253 120.400 -0.346 0.000 2.062 62 K HA -0.087 4.117 4.320 -0.194 0.000 0.205 62 K C 1.647 178.008 176.600 -0.398 0.000 1.051 62 K CA 1.023 57.038 56.287 -0.453 0.000 0.941 62 K CB 0.117 32.156 32.500 -0.767 0.000 0.719 62 K HN 0.318 nan 8.250 nan 0.000 0.440 63 H N -1.571 117.404 119.070 -0.158 0.000 3.046 63 H HA 0.216 4.655 4.556 -0.195 0.000 0.262 63 H C 0.967 176.300 175.328 0.007 0.000 1.044 63 H CA 0.767 56.779 56.048 -0.059 0.000 1.209 63 H CB 1.160 30.891 29.762 -0.051 0.000 1.507 63 H HN 0.347 nan 8.280 nan 0.000 0.507 64 G N 0.753 109.582 108.800 0.049 0.000 2.615 64 G HA2 -0.263 3.580 3.960 -0.194 0.000 0.218 64 G HA3 -0.263 3.580 3.960 -0.194 0.000 0.218 64 G C 0.159 175.120 174.900 0.103 0.000 1.339 64 G CA -0.077 45.021 45.100 -0.004 0.000 0.884 64 G HN 0.436 nan 8.290 nan 0.000 0.559 65 H N -0.740 118.452 119.070 0.202 0.000 2.547 65 H HA 0.323 4.762 4.556 -0.194 0.000 0.266 65 H C 0.816 176.199 175.328 0.091 0.000 0.988 65 H CA 1.409 57.569 56.048 0.187 0.000 1.147 65 H CB 0.084 29.931 29.762 0.142 0.000 1.365 65 H HN 0.380 nan 8.280 nan 0.000 0.589 66 V N 2.157 122.152 119.914 0.134 0.000 2.482 66 V HA 0.290 4.294 4.120 -0.194 0.000 0.295 66 V C -0.737 175.379 176.094 0.038 0.000 1.026 66 V CA -0.889 61.317 62.300 -0.158 0.000 0.856 66 V CB 1.218 32.595 31.823 -0.743 0.000 1.001 66 V HN 0.157 nan 8.190 nan 0.000 0.424 67 F N 1.036 120.994 119.950 0.013 0.000 2.631 67 F HA 0.882 5.292 4.527 -0.195 0.000 0.308 67 F C -0.392 175.472 175.800 0.107 0.000 1.097 67 F CA -0.868 57.137 58.000 0.008 0.000 0.952 67 F CB 1.763 40.760 39.000 -0.006 0.000 1.307 67 F HN 0.225 nan 8.300 nan 0.000 0.450 68 T N 1.660 116.355 114.554 0.234 0.000 2.779 68 T HA 0.559 4.793 4.350 -0.194 0.000 0.280 68 T C -0.877 173.961 174.700 0.231 0.000 0.987 68 T CA -0.425 61.757 62.100 0.136 0.000 0.966 68 T CB 0.890 69.797 68.868 0.065 0.000 0.933 68 T HN 0.825 nan 8.240 nan 0.000 0.442 69 C N 2.809 122.260 119.300 0.252 0.000 2.435 69 C HA 0.633 4.977 4.460 -0.194 0.000 0.333 69 C C 0.539 175.565 174.990 0.060 0.000 1.202 69 C CA -1.040 58.126 59.018 0.246 0.000 1.830 69 C CB 1.079 29.069 27.740 0.418 0.000 2.326 69 C HN 0.786 nan 8.230 nan 0.000 0.507 70 K N 2.315 122.704 120.400 -0.019 0.000 2.183 70 K HA 0.537 4.741 4.320 -0.194 0.000 0.272 70 K C -1.175 175.353 176.600 -0.119 0.000 1.113 70 K CA -0.026 56.113 56.287 -0.247 0.000 0.949 70 K CB -0.512 31.825 32.500 -0.272 0.000 1.365 70 K HN 0.562 nan 8.250 nan 0.000 0.420 71 L N 4.782 125.946 121.223 -0.097 0.000 2.356 71 L HA 0.451 4.675 4.340 -0.194 0.000 0.277 71 L C -0.247 176.618 176.870 -0.009 0.000 0.996 71 L CA 0.150 54.987 54.840 -0.006 0.000 0.822 71 L CB 0.909 43.019 42.059 0.085 0.000 1.256 71 L HN 0.768 nan 8.230 nan 0.000 0.413 72 M N 5.032 124.656 119.600 0.041 0.000 2.393 72 M HA -0.220 4.144 4.480 -0.194 0.000 0.201 72 M C 1.115 177.447 176.300 0.052 0.000 0.403 72 M CA 1.152 56.503 55.300 0.085 0.000 0.471 72 M CB -1.943 30.761 32.600 0.173 0.000 1.669 72 M HN 1.092 nan 8.290 nan 0.000 0.864 73 G N -0.856 107.935 108.800 -0.016 0.000 2.168 73 G HA2 -0.278 3.566 3.960 -0.194 0.000 0.263 73 G HA3 -0.278 3.566 3.960 -0.194 0.000 0.263 73 G C 0.156 175.011 174.900 -0.074 0.000 0.977 73 G CA 0.921 45.996 45.100 -0.041 0.000 0.659 73 G HN 0.436 nan 8.290 nan 0.000 0.533 74 K N -0.919 119.414 120.400 -0.111 0.000 2.306 74 K HA 0.587 4.791 4.320 -0.194 0.000 0.236 74 K C -0.894 175.495 176.600 -0.351 0.000 1.013 74 K CA -0.968 55.250 56.287 -0.114 0.000 0.857 74 K CB 1.129 33.619 32.500 -0.016 0.000 1.214 74 K HN 0.079 nan 8.250 nan 0.000 0.449 75 Y N 0.315 120.572 120.300 -0.073 0.000 2.404 75 Y HA 0.230 4.664 4.550 -0.193 0.000 0.344 75 Y C 0.060 175.768 175.900 -0.321 0.000 0.970 75 Y CA -0.619 57.378 58.100 -0.171 0.000 1.180 75 Y CB 1.081 39.446 38.460 -0.158 0.000 1.138 75 Y HN -0.002 nan 8.280 nan 0.000 0.510 76 V N 4.614 124.366 119.914 -0.269 0.000 2.357 76 V HA 0.215 4.219 4.120 -0.194 0.000 0.284 76 V C -0.302 175.497 176.094 -0.493 0.000 1.018 76 V CA -1.004 61.052 62.300 -0.406 0.000 0.841 76 V CB 0.512 32.081 31.823 -0.424 0.000 0.991 76 V HN 0.652 nan 8.190 nan 0.000 0.437 77 H N 4.950 123.852 119.070 -0.280 0.000 2.723 77 H HA 0.333 4.772 4.556 -0.194 0.000 0.294 77 H C -0.623 174.417 175.328 -0.480 0.000 1.079 77 H CA -0.192 55.685 56.048 -0.284 0.000 1.411 77 H CB 0.633 30.264 29.762 -0.219 0.000 1.439 77 H HN 0.440 nan 8.280 nan 0.000 0.474 78 F N 2.964 122.650 119.950 -0.440 0.000 2.410 78 F HA 0.165 4.573 4.527 -0.199 0.000 0.348 78 F C 0.446 175.957 175.800 -0.482 0.000 1.106 78 F CA -0.601 57.072 58.000 -0.545 0.000 1.163 78 F CB 0.672 39.113 39.000 -0.933 0.000 1.129 78 F HN 0.342 nan 8.300 nan 0.000 0.516 79 I N 2.838 123.338 120.570 -0.116 0.000 2.359 79 I HA 0.164 4.218 4.170 -0.194 0.000 0.284 79 I C 0.875 177.066 176.117 0.124 0.000 1.018 79 I CA -0.232 61.040 61.300 -0.046 0.000 1.173 79 I CB 1.254 39.208 38.000 -0.076 0.000 1.326 79 I HN 0.686 nan 8.210 nan 0.000 0.462 80 T N 0.891 115.572 114.554 0.212 0.000 3.010 80 T HA 0.183 4.416 4.350 -0.194 0.000 0.257 80 T C 0.768 175.583 174.700 0.191 0.000 1.020 80 T CA -0.214 62.089 62.100 0.338 0.000 0.938 80 T CB -0.210 68.913 68.868 0.424 0.000 1.049 80 T HN 0.301 nan 8.240 nan 0.000 0.522 81 N N 3.038 121.699 118.700 -0.065 0.000 2.411 81 N HA 0.266 4.889 4.740 -0.194 0.000 0.259 81 N C -2.000 173.378 175.510 -0.221 0.000 1.103 81 N CA -2.349 50.425 53.050 -0.461 0.000 0.954 81 N CB 1.607 39.771 38.487 -0.539 0.000 1.085 81 N HN -0.046 nan 8.380 nan 0.000 0.485 82 P HA -0.122 nan 4.420 nan 0.000 0.218 82 P C 1.037 178.170 177.300 -0.279 0.000 1.146 82 P CA 1.174 63.854 63.100 -0.700 0.000 0.813 82 P CB 0.243 31.675 31.700 -0.446 0.000 0.778 83 L N -1.835 119.341 121.223 -0.079 0.000 2.552 83 L HA 0.009 4.233 4.340 -0.194 0.000 0.227 83 L C 1.653 178.671 176.870 0.246 0.000 1.146 83 L CA 0.892 55.789 54.840 0.095 0.000 0.858 83 L CB -0.485 41.615 42.059 0.068 0.000 0.969 83 L HN -0.047 nan 8.230 nan 0.000 0.451 84 S N -1.874 113.935 115.700 0.182 0.000 2.535 84 S HA 0.044 4.397 4.470 -0.194 0.000 0.214 84 S C 1.547 176.272 174.600 0.209 0.000 0.980 84 S CA -0.294 58.013 58.200 0.177 0.000 0.907 84 S CB -0.004 63.276 63.200 0.133 0.000 0.790 84 S HN 0.276 nan 8.310 nan 0.000 0.510 85 Y N 3.102 123.439 120.300 0.062 0.000 2.114 85 Y HA -0.223 4.210 4.550 -0.195 0.000 0.282 85 Y C 2.698 178.568 175.900 -0.050 0.000 1.165 85 Y CA 1.217 59.306 58.100 -0.019 0.000 1.148 85 Y CB -1.267 37.196 38.460 0.006 0.000 0.972 85 Y HN 0.560 nan 8.280 nan 0.000 0.504 86 H N -0.087 119.163 119.070 0.299 0.000 2.422 86 H HA -0.128 4.311 4.556 -0.195 0.000 0.298 86 H C 1.446 176.902 175.328 0.213 0.000 1.098 86 H CA 1.719 57.971 56.048 0.340 0.000 1.315 86 H CB -0.318 29.695 29.762 0.417 0.000 1.382 86 H HN 0.254 nan 8.280 nan 0.000 0.523 87 K N 0.466 120.585 120.400 -0.469 0.000 2.365 87 K HA 0.058 4.262 4.320 -0.194 0.000 0.199 87 K C 2.148 178.801 176.600 0.089 0.000 1.045 87 K CA 0.753 56.919 56.287 -0.202 0.000 0.962 87 K CB 0.526 32.911 32.500 -0.191 0.000 0.759 87 K HN 0.131 nan 8.250 nan 0.000 0.469 88 V N 0.415 120.332 119.914 0.005 0.000 3.125 88 V HA -0.000 4.003 4.120 -0.194 0.000 0.249 88 V C 1.601 177.599 176.094 -0.161 0.000 1.113 88 V CA 0.860 63.118 62.300 -0.071 0.000 1.106 88 V CB -0.069 31.613 31.823 -0.235 0.000 0.768 88 V HN 0.216 nan 8.190 nan 0.000 0.468 89 L N 0.552 121.683 121.223 -0.153 0.000 2.477 89 L HA 0.098 4.321 4.340 -0.194 0.000 0.220 89 L C 1.477 178.314 176.870 -0.054 0.000 1.106 89 L CA -0.093 54.608 54.840 -0.230 0.000 0.851 89 L CB -0.215 41.527 42.059 -0.528 0.000 0.994 89 L HN 0.526 nan 8.230 nan 0.000 0.462 90 C N -0.520 118.837 119.300 0.094 0.000 2.689 90 C HA 0.286 4.630 4.460 -0.194 0.000 0.409 90 C C 1.459 176.538 174.990 0.149 0.000 1.293 90 C CA -0.708 58.394 59.018 0.139 0.000 2.136 90 C CB -1.042 26.802 27.740 0.173 0.000 2.719 90 C HN 0.551 nan 8.230 nan 0.000 0.644 91 H N 0.604 119.729 119.070 0.092 0.000 3.432 91 H HA 0.483 4.922 4.556 -0.194 0.000 0.252 91 H C 0.812 176.204 175.328 0.107 0.000 1.397 91 H CA 0.443 56.553 56.048 0.104 0.000 1.549 91 H CB -0.807 28.999 29.762 0.073 0.000 1.699 91 H HN 1.323 nan 8.280 nan 0.000 0.523 92 G N 1.028 109.925 108.800 0.162 0.000 2.353 92 G HA2 0.327 4.171 3.960 -0.194 0.000 0.284 92 G HA3 0.327 4.171 3.960 -0.194 0.000 0.284 92 G C 1.189 175.906 174.900 -0.305 0.000 1.172 92 G CA -0.205 44.771 45.100 -0.206 0.000 0.854 92 G HN 0.840 nan 8.290 nan 0.000 0.485 93 K N 1.138 121.285 120.400 -0.422 0.000 2.280 93 K HA -0.114 4.089 4.320 -0.194 0.000 0.202 93 K C 0.748 176.955 176.600 -0.654 0.000 1.047 93 K CA 1.212 57.201 56.287 -0.495 0.000 0.942 93 K CB -0.101 32.042 32.500 -0.594 0.000 0.739 93 K HN 0.614 nan 8.250 nan 0.000 0.457 94 Y N 0.315 120.234 120.300 -0.635 0.000 2.466 94 Y HA 0.243 4.676 4.550 -0.195 0.000 0.272 94 Y C 0.167 175.796 175.900 -0.452 0.000 1.169 94 Y CA -0.641 57.003 58.100 -0.760 0.000 1.285 94 Y CB 0.231 37.752 38.460 -1.566 0.000 1.078 94 Y HN -0.121 nan 8.280 nan 0.000 0.523 95 F N 0.593 120.517 119.950 -0.043 0.000 2.421 95 F HA 0.253 4.667 4.527 -0.189 0.000 0.337 95 F C -0.006 175.841 175.800 0.077 0.000 1.105 95 F CA -1.297 56.738 58.000 0.058 0.000 1.049 95 F CB 1.029 40.110 39.000 0.135 0.000 1.139 95 F HN -0.144 nan 8.300 nan 0.000 0.479 96 D N 4.575 125.130 120.400 0.260 0.000 2.392 96 D HA 0.092 4.615 4.640 -0.194 0.000 0.228 96 D C 0.044 176.413 176.300 0.114 0.000 1.074 96 D CA -0.625 53.423 54.000 0.080 0.000 0.838 96 D CB 0.800 41.631 40.800 0.051 0.000 1.067 96 D HN 0.664 nan 8.370 nan 0.000 0.511 97 W N 3.881 125.215 121.300 0.057 0.000 3.330 97 W HA 0.303 4.845 4.660 -0.197 0.000 0.348 97 W C 0.209 176.705 176.519 -0.040 0.000 1.205 97 W CA -0.493 56.852 57.345 -0.001 0.000 1.841 97 W CB 0.061 29.511 29.460 -0.018 0.000 1.084 97 W HN 0.270 nan 8.180 nan 0.000 0.665 98 K N 0.694 120.973 120.400 -0.203 0.000 2.474 98 K HA 0.026 4.230 4.320 -0.194 0.000 0.202 98 K C 1.896 178.347 176.600 -0.248 0.000 1.248 98 K CA -0.145 55.911 56.287 -0.385 0.000 0.946 98 K CB 0.319 32.374 32.500 -0.741 0.000 1.102 98 K HN -0.172 nan 8.250 nan 0.000 0.541 99 K N 1.050 121.442 120.400 -0.015 0.000 2.059 99 K HA -0.196 4.007 4.320 -0.194 0.000 0.212 99 K C 1.861 178.569 176.600 0.180 0.000 1.050 99 K CA 1.688 58.056 56.287 0.134 0.000 0.927 99 K CB -0.156 32.427 32.500 0.138 0.000 0.714 99 K HN 0.053 nan 8.250 nan 0.000 0.447 100 F N 0.819 120.804 119.950 0.059 0.000 2.146 100 F HA -0.195 4.211 4.527 -0.202 0.000 0.298 100 F C 2.485 178.338 175.800 0.090 0.000 1.096 100 F CA 1.636 59.677 58.000 0.069 0.000 1.275 100 F CB -0.277 38.759 39.000 0.060 0.000 1.008 100 F HN 0.217 nan 8.300 nan 0.000 0.480 101 H N -0.499 118.659 119.070 0.146 0.000 2.395 101 H HA -0.141 4.297 4.556 -0.198 0.000 0.299 101 H C 2.340 177.731 175.328 0.105 0.000 1.070 101 H CA 1.906 58.009 56.048 0.092 0.000 1.356 101 H CB -0.529 29.304 29.762 0.119 0.000 1.401 101 H HN 0.378 nan 8.280 nan 0.000 0.524 102 F N 0.576 120.609 119.950 0.137 0.000 2.095 102 F HA -0.234 4.178 4.527 -0.192 0.000 0.298 102 F C 2.966 178.741 175.800 -0.042 0.000 1.104 102 F CA 0.576 58.627 58.000 0.086 0.000 1.232 102 F CB -0.092 38.966 39.000 0.096 0.000 0.987 102 F HN 0.229 nan 8.300 nan 0.000 0.475 103 A N -0.287 122.577 122.820 0.073 0.000 1.898 103 A HA -0.165 4.039 4.320 -0.194 0.000 0.216 103 A C 2.096 179.533 177.584 -0.245 0.000 1.181 103 A CA 2.153 54.132 52.037 -0.096 0.000 0.620 103 A CB -1.226 17.690 19.000 -0.140 0.000 0.819 103 A HN 0.312 nan 8.150 nan 0.000 0.442 104 T N -0.427 113.886 114.554 -0.401 0.000 2.746 104 T HA -0.146 4.088 4.350 -0.194 0.000 0.267 104 T C 2.298 176.810 174.700 -0.313 0.000 1.039 104 T CA 1.779 63.602 62.100 -0.462 0.000 1.142 104 T CB -0.330 68.191 68.868 -0.578 0.000 0.866 104 T HN 0.588 nan 8.240 nan 0.000 0.444 105 S N 1.133 116.716 115.700 -0.195 0.000 2.356 105 S HA -0.085 4.269 4.470 -0.194 0.000 0.223 105 S C 2.436 177.030 174.600 -0.009 0.000 1.032 105 S CA 1.410 59.671 58.200 0.102 0.000 1.005 105 S CB -0.591 62.763 63.200 0.257 0.000 0.867 105 S HN 0.500 nan 8.310 nan 0.000 0.449 106 A N 1.308 123.977 122.820 -0.252 0.000 1.908 106 A HA -0.137 4.066 4.320 -0.194 0.000 0.218 106 A C 2.200 179.560 177.584 -0.374 0.000 1.181 106 A CA 1.851 53.544 52.037 -0.572 0.000 0.627 106 A CB -0.644 18.177 19.000 -0.299 0.000 0.818 106 A HN 0.657 nan 8.150 nan 0.000 0.445 107 K N -0.691 119.546 120.400 -0.271 0.000 2.025 107 K HA 0.002 4.206 4.320 -0.194 0.000 0.207 107 K C 2.304 178.735 176.600 -0.283 0.000 1.049 107 K CA 1.143 57.278 56.287 -0.254 0.000 0.933 107 K CB -0.268 32.068 32.500 -0.273 0.000 0.714 107 K HN 0.435 nan 8.250 nan 0.000 0.438 108 A N 0.059 122.660 122.820 -0.366 0.000 1.970 108 A HA -0.022 4.181 4.320 -0.194 0.000 0.216 108 A C 1.696 179.035 177.584 -0.410 0.000 1.170 108 A CA 1.034 52.727 52.037 -0.574 0.000 0.645 108 A CB -0.310 18.051 19.000 -1.065 0.000 0.816 108 A HN 0.203 nan 8.150 nan 0.000 0.447 109 F N -0.939 118.997 119.950 -0.024 0.000 2.656 109 F HA 0.364 4.766 4.527 -0.209 0.000 0.291 109 F C 1.560 177.366 175.800 0.010 0.000 1.122 109 F CA 0.716 58.769 58.000 0.088 0.000 1.427 109 F CB 0.293 39.442 39.000 0.248 0.000 1.125 109 F HN 0.315 nan 8.300 nan 0.000 0.583 110 G N 1.969 110.785 108.800 0.027 0.000 2.643 110 G HA2 -0.176 3.668 3.960 -0.194 0.000 0.280 110 G HA3 -0.176 3.668 3.960 -0.194 0.000 0.280 110 G C -0.493 174.428 174.900 0.035 0.000 1.120 110 G CA 0.081 45.172 45.100 -0.016 0.000 1.165 110 G HN 0.645 nan 8.290 nan 0.000 0.540 111 H N -1.753 117.316 119.070 -0.001 0.000 2.990 111 H HA 0.668 5.106 4.556 -0.197 0.000 0.343 111 H C 0.028 175.340 175.328 -0.027 0.000 1.270 111 H CA -1.182 54.831 56.048 -0.058 0.000 1.118 111 H CB 1.049 30.702 29.762 -0.181 0.000 1.861 111 H HN 0.295 nan 8.280 nan 0.000 0.544 112 R N 0.418 121.023 120.500 0.174 0.000 2.615 112 R HA 0.153 4.377 4.340 -0.194 0.000 0.270 112 R C 0.336 176.799 176.300 0.272 0.000 1.081 112 R CA -0.392 55.815 56.100 0.177 0.000 1.154 112 R CB 0.746 31.176 30.300 0.217 0.000 1.063 112 R HN 0.606 nan 8.270 nan 0.000 0.519 113 S N 0.981 116.772 115.700 0.152 0.000 2.593 113 S HA -0.044 4.310 4.470 -0.194 0.000 0.300 113 S C 1.226 175.904 174.600 0.129 0.000 1.267 113 S CA -0.147 58.109 58.200 0.094 0.000 1.065 113 S CB 0.164 63.370 63.200 0.011 0.000 0.807 113 S HN 0.474 nan 8.310 nan 0.000 0.499 114 I N 2.218 122.775 120.570 -0.021 0.000 3.860 114 I HA 0.110 4.163 4.170 -0.194 0.000 0.319 114 I C 0.764 176.553 176.117 -0.546 0.000 1.279 114 I CA -0.150 61.082 61.300 -0.113 0.000 1.220 114 I CB -0.113 37.809 38.000 -0.130 0.000 1.027 114 I HN 0.503 nan 8.210 nan 0.000 0.428 115 D N 3.466 123.425 120.400 -0.735 0.000 2.412 115 D HA 0.013 4.536 4.640 -0.194 0.000 0.257 115 D C -1.532 174.619 176.300 -0.248 0.000 1.217 115 D CA -1.638 51.996 54.000 -0.610 0.000 0.897 115 D CB 1.433 42.092 40.800 -0.235 0.000 1.132 115 D HN -0.016 nan 8.370 nan 0.000 0.493 116 P HA -0.133 nan 4.420 nan 0.000 0.222 116 P C 1.521 178.774 177.300 -0.079 0.000 1.142 116 P CA 0.804 63.837 63.100 -0.111 0.000 0.788 116 P CB 0.135 31.793 31.700 -0.070 0.000 0.767 117 M N -1.008 118.558 119.600 -0.056 0.000 2.374 117 M HA -0.075 4.289 4.480 -0.194 0.000 0.264 117 M C 0.574 176.851 176.300 -0.040 0.000 1.067 117 M CA 1.404 56.684 55.300 -0.034 0.000 1.103 117 M CB -1.122 31.473 32.600 -0.008 0.000 1.402 117 M HN -0.051 nan 8.290 nan 0.000 0.444 118 D N -0.193 120.174 120.400 -0.055 0.000 2.336 118 D HA 0.263 4.787 4.640 -0.194 0.000 0.228 118 D C 1.428 177.688 176.300 -0.067 0.000 1.120 118 D CA 0.470 54.442 54.000 -0.047 0.000 0.839 118 D CB 0.009 40.788 40.800 -0.036 0.000 0.932 118 D HN 0.479 nan 8.370 nan 0.000 0.509 119 G N 1.509 110.257 108.800 -0.087 0.000 2.189 119 G HA2 -0.358 3.485 3.960 -0.194 0.000 0.267 119 G HA3 -0.358 3.485 3.960 -0.194 0.000 0.267 119 G C 1.227 176.030 174.900 -0.161 0.000 0.975 119 G CA 0.323 45.360 45.100 -0.105 0.000 0.644 119 G HN 0.283 nan 8.290 nan 0.000 0.537 120 N N -0.521 118.054 118.700 -0.208 0.000 2.368 120 N HA 0.110 4.733 4.740 -0.194 0.000 0.176 120 N C 0.921 176.056 175.510 -0.625 0.000 1.021 120 N CA 1.504 54.322 53.050 -0.387 0.000 0.888 120 N CB 0.347 38.649 38.487 -0.308 0.000 0.995 120 N HN 0.526 nan 8.380 nan 0.000 0.437 121 T N -1.395 112.902 114.554 -0.429 0.000 2.864 121 T HA 0.308 4.541 4.350 -0.194 0.000 0.299 121 T C 0.377 174.960 174.700 -0.194 0.000 1.166 121 T CA -0.520 61.371 62.100 -0.348 0.000 1.007 121 T CB 1.531 70.219 68.868 -0.300 0.000 1.219 121 T HN 0.123 nan 8.240 nan 0.000 0.506 122 T N -0.696 113.771 114.554 -0.146 0.000 3.054 122 T HA 0.324 4.558 4.350 -0.194 0.000 0.255 122 T C 0.488 175.150 174.700 -0.063 0.000 1.035 122 T CA -0.232 61.813 62.100 -0.092 0.000 0.941 122 T CB -0.051 68.772 68.868 -0.075 0.000 1.026 122 T HN 0.622 nan 8.240 nan 0.000 0.533 123 E N 2.014 122.174 120.200 -0.066 0.000 2.373 123 E HA 0.083 4.316 4.350 -0.194 0.000 0.267 123 E C -0.537 176.046 176.600 -0.028 0.000 1.032 123 E CA -0.528 55.849 56.400 -0.038 0.000 0.889 123 E CB 0.377 30.058 29.700 -0.033 0.000 0.984 123 E HN 0.205 nan 8.360 nan 0.000 0.425 124 N N 4.652 123.346 118.700 -0.010 0.000 2.558 124 N HA 0.075 4.699 4.740 -0.194 0.000 0.233 124 N C 0.792 176.285 175.510 -0.029 0.000 1.038 124 N CA -0.300 52.759 53.050 0.015 0.000 0.934 124 N CB 0.309 38.818 38.487 0.037 0.000 1.175 124 N HN 0.605 nan 8.380 nan 0.000 0.512 125 I N 1.022 121.557 120.570 -0.057 0.000 2.361 125 I HA -0.116 3.938 4.170 -0.194 0.000 0.251 125 I C 2.048 177.901 176.117 -0.439 0.000 1.133 125 I CA 1.436 62.545 61.300 -0.318 0.000 1.413 125 I CB -1.089 36.708 38.000 -0.338 0.000 1.073 125 I HN 0.359 nan 8.210 nan 0.000 0.424 126 N N 1.924 120.611 118.700 -0.022 0.000 2.061 126 N HA -0.262 4.362 4.740 -0.194 0.000 0.193 126 N C 1.689 177.269 175.510 0.117 0.000 1.030 126 N CA 2.279 55.435 53.050 0.177 0.000 0.856 126 N CB -1.067 37.589 38.487 0.282 0.000 1.023 126 N HN 0.517 nan 8.380 nan 0.000 0.424 127 D N -0.515 119.922 120.400 0.063 0.000 2.144 127 D HA -0.074 4.450 4.640 -0.194 0.000 0.199 127 D C 2.133 178.446 176.300 0.022 0.000 0.984 127 D CA 1.666 55.700 54.000 0.057 0.000 0.834 127 D CB -0.764 40.064 40.800 0.047 0.000 0.955 127 D HN 0.523 nan 8.370 nan 0.000 0.465 128 T N 0.231 114.742 114.554 -0.072 0.000 2.746 128 T HA -0.100 4.134 4.350 -0.194 0.000 0.267 128 T C 1.950 176.655 174.700 0.008 0.000 1.039 128 T CA 0.754 62.802 62.100 -0.087 0.000 1.142 128 T CB -0.466 68.281 68.868 -0.202 0.000 0.866 128 T HN 0.208 nan 8.240 nan 0.000 0.444 129 F N 0.809 120.797 119.950 0.063 0.000 2.113 129 F HA 0.016 4.443 4.527 -0.166 0.000 0.297 129 F C 2.300 178.114 175.800 0.024 0.000 1.103 129 F CA 0.559 58.584 58.000 0.042 0.000 1.248 129 F CB -0.449 38.589 39.000 0.065 0.000 0.999 129 F HN 0.068 nan 8.300 nan 0.000 0.475 130 I N 0.995 121.706 120.570 0.235 0.000 2.208 130 I HA -0.328 3.726 4.170 -0.194 0.000 0.245 130 I C 2.827 178.996 176.117 0.087 0.000 1.097 130 I CA 1.821 63.199 61.300 0.131 0.000 1.363 130 I CB -0.795 37.272 38.000 0.111 0.000 1.051 130 I HN 0.123 nan 8.210 nan 0.000 0.413 131 K N 0.431 120.878 120.400 0.079 0.000 2.211 131 K HA -0.138 4.065 4.320 -0.194 0.000 0.203 131 K C 1.886 178.514 176.600 0.047 0.000 1.050 131 K CA 1.915 58.235 56.287 0.054 0.000 0.945 131 K CB -1.447 31.078 32.500 0.041 0.000 0.732 131 K HN 0.637 nan 8.250 nan 0.000 0.451 132 T N -3.058 111.528 114.554 0.052 0.000 3.010 132 T HA 0.319 4.553 4.350 -0.194 0.000 0.257 132 T C 1.518 176.202 174.700 -0.026 0.000 1.020 132 T CA 0.129 62.239 62.100 0.016 0.000 0.938 132 T CB 0.177 69.057 68.868 0.021 0.000 1.049 132 T HN 0.227 nan 8.240 nan 0.000 0.522 133 L N -0.040 121.185 121.223 0.003 0.000 2.693 133 L HA 0.449 4.673 4.340 -0.194 0.000 0.235 133 L C 0.512 177.367 176.870 -0.025 0.000 1.127 133 L CA -0.058 54.757 54.840 -0.043 0.000 0.914 133 L CB 0.242 42.293 42.059 -0.014 0.000 1.193 133 L HN 0.217 nan 8.230 nan 0.000 0.502 134 Q N -1.647 118.152 119.800 -0.001 0.000 2.683 134 Q HA 0.611 4.835 4.340 -0.194 0.000 0.302 134 Q C 0.359 176.372 176.000 0.023 0.000 1.042 134 Q CA -0.274 55.534 55.803 0.008 0.000 0.773 134 Q CB 2.080 30.825 28.738 0.012 0.000 1.508 134 Q HN 0.064 nan 8.270 nan 0.000 0.459 135 G N 0.529 109.349 108.800 0.032 0.000 2.574 135 G HA2 -0.420 3.424 3.960 -0.194 0.000 0.286 135 G HA3 -0.420 3.424 3.960 -0.194 0.000 0.286 135 G C 0.615 175.553 174.900 0.064 0.000 1.212 135 G CA 0.770 45.903 45.100 0.055 0.000 0.979 135 G HN 0.911 nan 8.290 nan 0.000 0.557 136 H N 1.510 120.579 119.070 -0.002 0.000 2.353 136 H HA -0.040 4.400 4.556 -0.193 0.000 0.298 136 H C 2.893 178.211 175.328 -0.016 0.000 1.103 136 H CA 2.692 58.736 56.048 -0.008 0.000 1.293 136 H CB -0.543 29.210 29.762 -0.014 0.000 1.372 136 H HN 0.879 nan 8.280 nan 0.000 0.501 137 A N 1.200 123.991 122.820 -0.047 0.000 1.972 137 A HA -0.137 4.067 4.320 -0.194 0.000 0.219 137 A C 2.529 180.021 177.584 -0.153 0.000 1.169 137 A CA 1.322 53.291 52.037 -0.113 0.000 0.635 137 A CB -0.751 18.233 19.000 -0.026 0.000 0.810 137 A HN 0.440 nan 8.150 nan 0.000 0.446 138 L N 0.293 121.463 121.223 -0.089 0.000 2.093 138 L HA -0.135 4.088 4.340 -0.194 0.000 0.208 138 L C 1.798 178.654 176.870 -0.023 0.000 1.085 138 L CA 2.035 56.852 54.840 -0.039 0.000 0.755 138 L CB -0.764 41.314 42.059 0.031 0.000 0.904 138 L HN 0.314 nan 8.230 nan 0.000 0.435 139 N N -0.371 118.279 118.700 -0.084 0.000 2.069 139 N HA -0.187 4.437 4.740 -0.194 0.000 0.191 139 N C 2.045 177.495 175.510 -0.100 0.000 1.031 139 N CA 1.761 54.759 53.050 -0.086 0.000 0.852 139 N CB -0.586 37.816 38.487 -0.141 0.000 1.018 139 N HN 0.608 nan 8.380 nan 0.000 0.423 140 S N 0.601 116.196 115.700 -0.174 0.000 2.368 140 S HA 0.003 4.356 4.470 -0.194 0.000 0.224 140 S C 2.175 176.708 174.600 -0.113 0.000 1.029 140 S CA 0.497 58.610 58.200 -0.146 0.000 0.988 140 S CB -0.777 62.313 63.200 -0.183 0.000 0.838 140 S HN 0.208 nan 8.310 nan 0.000 0.462 141 L N 1.355 122.483 121.223 -0.158 0.000 2.013 141 L HA -0.153 4.071 4.340 -0.194 0.000 0.212 141 L C 3.011 179.898 176.870 0.028 0.000 1.073 141 L CA 1.899 56.602 54.840 -0.229 0.000 0.753 141 L CB -1.181 40.548 42.059 -0.549 0.000 0.890 141 L HN 0.404 nan 8.230 nan 0.000 0.432 142 T N -1.365 113.274 114.554 0.142 0.000 2.746 142 T HA -0.229 4.005 4.350 -0.194 0.000 0.267 142 T C 1.755 176.523 174.700 0.115 0.000 1.039 142 T CA 1.322 63.572 62.100 0.249 0.000 1.142 142 T CB -0.129 68.851 68.868 0.187 0.000 0.866 142 T HN 0.342 nan 8.240 nan 0.000 0.444 143 E N 0.514 120.737 120.200 0.038 0.000 2.051 143 E HA -0.148 4.085 4.350 -0.194 0.000 0.192 143 E C 2.497 179.111 176.600 0.024 0.000 0.991 143 E CA 1.207 57.613 56.400 0.011 0.000 0.799 143 E CB -0.157 29.532 29.700 -0.018 0.000 0.748 143 E HN 0.355 nan 8.360 nan 0.000 0.449 144 S N 0.143 115.854 115.700 0.017 0.000 2.359 144 S HA -0.228 4.125 4.470 -0.194 0.000 0.224 144 S C 1.982 176.617 174.600 0.058 0.000 1.035 144 S CA 1.627 59.837 58.200 0.017 0.000 1.018 144 S CB -0.194 62.992 63.200 -0.024 0.000 0.876 144 S HN 0.197 nan 8.310 nan 0.000 0.448 145 M N 0.921 120.593 119.600 0.119 0.000 2.108 145 M HA 0.001 4.364 4.480 -0.194 0.000 0.261 145 M C 2.010 178.364 176.300 0.091 0.000 1.066 145 M CA 1.845 57.235 55.300 0.150 0.000 1.107 145 M CB -0.619 32.143 32.600 0.271 0.000 1.356 145 M HN 0.473 nan 8.290 nan 0.000 0.406 146 M N 0.041 119.684 119.600 0.072 0.000 2.175 146 M HA -0.132 4.231 4.480 -0.194 0.000 0.264 146 M C 1.740 178.069 176.300 0.047 0.000 1.063 146 M CA 1.885 57.211 55.300 0.043 0.000 1.119 146 M CB -0.486 32.125 32.600 0.019 0.000 1.377 146 M HN 0.414 nan 8.290 nan 0.000 0.415 147 E N -0.357 119.871 120.200 0.047 0.000 2.051 147 E HA -0.174 4.060 4.350 -0.194 0.000 0.192 147 E C 1.849 178.487 176.600 0.064 0.000 0.991 147 E CA 1.330 57.759 56.400 0.049 0.000 0.799 147 E CB -0.169 29.552 29.700 0.035 0.000 0.748 147 E HN 0.545 nan 8.360 nan 0.000 0.449 148 N N 0.507 119.247 118.700 0.066 0.000 2.166 148 N HA -0.127 4.497 4.740 -0.194 0.000 0.186 148 N C 1.928 177.494 175.510 0.094 0.000 1.019 148 N CA 0.795 53.891 53.050 0.077 0.000 0.856 148 N CB -0.124 38.407 38.487 0.072 0.000 0.993 148 N HN 0.157 nan 8.380 nan 0.000 0.426 149 L N 1.232 122.511 121.223 0.094 0.000 2.083 149 L HA -0.172 4.052 4.340 -0.194 0.000 0.209 149 L C 2.424 179.376 176.870 0.137 0.000 1.083 149 L CA 1.166 56.073 54.840 0.113 0.000 0.752 149 L CB -0.256 41.861 42.059 0.098 0.000 0.899 149 L HN 0.203 nan 8.230 nan 0.000 0.433 150 Q N -0.634 119.242 119.800 0.127 0.000 2.083 150 Q HA -0.164 4.059 4.340 -0.194 0.000 0.198 150 Q C 2.335 178.450 176.000 0.191 0.000 0.969 150 Q CA 1.111 57.028 55.803 0.191 0.000 0.838 150 Q CB 0.004 28.836 28.738 0.157 0.000 0.900 150 Q HN 0.408 nan 8.270 nan 0.000 0.436 151 R N 0.202 120.781 120.500 0.132 0.000 2.105 151 R HA -0.145 4.079 4.340 -0.194 0.000 0.239 151 R C 2.136 178.516 176.300 0.133 0.000 1.135 151 R CA 1.300 57.466 56.100 0.111 0.000 0.967 151 R CB -0.274 30.078 30.300 0.087 0.000 0.861 151 R HN 0.289 nan 8.270 nan 0.000 0.442 152 I N -0.137 120.524 120.570 0.152 0.000 2.333 152 I HA -0.200 3.854 4.170 -0.194 0.000 0.246 152 I C 2.248 178.502 176.117 0.229 0.000 1.106 152 I CA 1.188 62.585 61.300 0.162 0.000 1.411 152 I CB -0.045 38.037 38.000 0.136 0.000 1.082 152 I HN 0.117 nan 8.210 nan 0.000 0.420 153 M N -0.393 119.385 119.600 0.298 0.000 2.447 153 M HA 0.016 4.379 4.480 -0.194 0.000 0.264 153 M C 1.166 177.799 176.300 0.555 0.000 1.095 153 M CA 0.753 56.326 55.300 0.456 0.000 1.125 153 M CB 0.032 32.913 32.600 0.469 0.000 1.389 153 M HN 0.041 nan 8.290 nan 0.000 0.459 165 A N 1.153 123.955 122.820 -0.031 0.000 2.269 165 A HA 0.755 4.959 4.320 -0.194 0.000 0.319 165 A C -0.500 177.002 177.584 -0.136 0.000 1.110 165 A CA -0.544 51.463 52.037 -0.049 0.000 0.847 165 A CB 0.372 19.376 19.000 0.007 0.000 1.161 165 A HN 0.985 nan 8.150 nan 0.000 0.497 166 W N 1.045 122.284 121.300 -0.102 0.000 2.356 166 W HA 0.442 4.985 4.660 -0.196 0.000 0.311 166 W C -0.345 175.987 176.519 -0.312 0.000 1.328 166 W CA 0.031 57.252 57.345 -0.207 0.000 1.251 166 W CB 0.929 30.290 29.460 -0.165 0.000 1.280 166 W HN 0.355 nan 8.180 nan 0.000 0.524 167 V N 4.299 124.004 119.914 -0.348 0.000 2.394 167 V HA 0.348 4.352 4.120 -0.194 0.000 0.282 167 V C 0.239 175.974 176.094 -0.598 0.000 1.031 167 V CA -0.719 61.254 62.300 -0.544 0.000 0.881 167 V CB 1.303 32.592 31.823 -0.890 0.000 0.982 167 V HN 0.427 nan 8.190 nan 0.000 0.451 168 T N 5.316 119.694 114.554 -0.295 0.000 2.829 168 T HA 0.616 4.850 4.350 -0.194 0.000 0.282 168 T C -0.411 174.238 174.700 -0.086 0.000 0.990 168 T CA -0.328 61.649 62.100 -0.206 0.000 1.028 168 T CB 1.281 70.082 68.868 -0.112 0.000 0.951 168 T HN 0.851 nan 8.240 nan 0.000 0.460 169 E N 0.582 120.784 120.200 0.004 0.000 2.401 169 E HA 0.496 4.730 4.350 -0.194 0.000 0.280 169 E C -0.494 176.289 176.600 0.305 0.000 1.039 169 E CA -0.884 55.626 56.400 0.183 0.000 0.814 169 E CB 1.334 31.238 29.700 0.340 0.000 1.275 169 E HN 0.742 nan 8.360 nan 0.000 0.448 170 G N 2.098 111.062 108.800 0.273 0.000 2.343 170 G HA2 0.100 3.944 3.960 -0.194 0.000 0.254 170 G HA3 0.100 3.944 3.960 -0.194 0.000 0.254 170 G C 0.594 175.721 174.900 0.377 0.000 1.277 170 G CA -0.072 45.188 45.100 0.266 0.000 0.909 170 G HN 0.651 nan 8.290 nan 0.000 0.502 171 M N 3.121 122.916 119.600 0.325 0.000 2.132 171 M HA -0.099 4.264 4.480 -0.194 0.000 0.263 171 M C 2.002 178.450 176.300 0.246 0.000 1.065 171 M CA 1.390 56.763 55.300 0.121 0.000 1.122 171 M CB -0.142 32.369 32.600 -0.149 0.000 1.365 171 M HN 0.742 nan 8.290 nan 0.000 0.411 172 Y N -0.097 120.228 120.300 0.042 0.000 2.200 172 Y HA -0.238 4.187 4.550 -0.208 0.000 0.290 172 Y C 2.820 178.751 175.900 0.052 0.000 1.137 172 Y CA 2.175 60.190 58.100 -0.142 0.000 1.163 172 Y CB -0.376 37.739 38.460 -0.575 0.000 0.988 172 Y HN 0.375 nan 8.280 nan 0.000 0.518 173 S N -0.440 115.402 115.700 0.237 0.000 2.368 173 S HA -0.258 4.095 4.470 -0.194 0.000 0.225 173 S C 2.024 176.749 174.600 0.209 0.000 1.030 173 S CA 1.474 59.792 58.200 0.197 0.000 0.999 173 S CB -0.917 62.380 63.200 0.163 0.000 0.844 173 S HN 0.559 nan 8.310 nan 0.000 0.459 174 F N 1.663 121.695 119.950 0.137 0.000 2.075 174 F HA -0.115 4.294 4.527 -0.196 0.000 0.297 174 F C 2.536 178.377 175.800 0.068 0.000 1.113 174 F CA 1.801 59.888 58.000 0.143 0.000 1.218 174 F CB -0.877 38.278 39.000 0.259 0.000 0.984 174 F HN 0.310 nan 8.300 nan 0.000 0.472 175 C N -0.373 119.022 119.300 0.158 0.000 2.413 175 C HA -0.203 4.141 4.460 -0.194 0.000 0.277 175 C C 2.560 177.385 174.990 -0.275 0.000 1.265 175 C CA 1.197 60.114 59.018 -0.169 0.000 1.752 175 C CB -1.705 25.884 27.740 -0.251 0.000 1.998 175 C HN 0.643 nan 8.230 nan 0.000 0.489 176 Y N 1.272 121.384 120.300 -0.314 0.000 2.114 176 Y HA -0.217 4.232 4.550 -0.169 0.000 0.284 176 Y C 2.843 178.681 175.900 -0.103 0.000 1.143 176 Y CA 1.543 59.508 58.100 -0.225 0.000 1.135 176 Y CB -0.189 38.164 38.460 -0.178 0.000 0.980 176 Y HN 0.225 nan 8.280 nan 0.000 0.499 177 R N -0.758 119.811 120.500 0.116 0.000 2.094 177 R HA -0.206 4.018 4.340 -0.194 0.000 0.239 177 R C 2.047 178.360 176.300 0.021 0.000 1.137 177 R CA 2.012 58.145 56.100 0.056 0.000 0.943 177 R CB -0.928 29.355 30.300 -0.030 0.000 0.850 177 R HN 0.249 nan 8.270 nan 0.000 0.433 178 V N 0.952 120.783 119.914 -0.139 0.000 2.283 178 V HA -0.222 3.782 4.120 -0.194 0.000 0.243 178 V C 2.420 178.484 176.094 -0.050 0.000 1.039 178 V CA 1.525 63.756 62.300 -0.116 0.000 1.016 178 V CB -0.340 31.350 31.823 -0.221 0.000 0.650 178 V HN 0.266 nan 8.190 nan 0.000 0.449 179 M N -0.979 118.531 119.600 -0.150 0.000 2.175 179 M HA -0.081 4.282 4.480 -0.194 0.000 0.264 179 M C 2.183 178.426 176.300 -0.096 0.000 1.063 179 M CA 1.657 56.848 55.300 -0.182 0.000 1.119 179 M CB -1.281 31.107 32.600 -0.355 0.000 1.377 179 M HN 0.417 nan 8.290 nan 0.000 0.415 180 F N 1.552 121.414 119.950 -0.146 0.000 2.095 180 F HA -0.243 4.162 4.527 -0.203 0.000 0.298 180 F C 2.511 178.323 175.800 0.020 0.000 1.104 180 F CA 2.258 60.208 58.000 -0.083 0.000 1.232 180 F CB -0.271 38.738 39.000 0.014 0.000 0.987 180 F HN 0.283 nan 8.300 nan 0.000 0.475 181 E N 0.108 120.423 120.200 0.193 0.000 2.051 181 E HA -0.197 4.037 4.350 -0.194 0.000 0.192 181 E C 2.259 178.904 176.600 0.074 0.000 0.991 181 E CA 1.063 57.552 56.400 0.148 0.000 0.799 181 E CB -0.363 29.438 29.700 0.168 0.000 0.748 181 E HN 0.452 nan 8.360 nan 0.000 0.449 182 A N 0.719 123.567 122.820 0.047 0.000 1.902 182 A HA -0.104 4.099 4.320 -0.194 0.000 0.217 182 A C 2.421 180.019 177.584 0.024 0.000 1.181 182 A CA 1.826 53.892 52.037 0.048 0.000 0.623 182 A CB -1.210 17.819 19.000 0.049 0.000 0.818 182 A HN 0.463 nan 8.150 nan 0.000 0.443 183 G N -2.213 106.561 108.800 -0.043 0.000 2.403 183 G HA2 -0.196 3.648 3.960 -0.194 0.000 0.216 183 G HA3 -0.196 3.648 3.960 -0.194 0.000 0.216 183 G C 1.547 176.395 174.900 -0.087 0.000 1.154 183 G CA 1.109 46.174 45.100 -0.057 0.000 0.784 183 G HN 0.551 nan 8.290 nan 0.000 0.538 184 Y N 1.093 121.220 120.300 -0.288 0.000 2.145 184 Y HA -0.045 4.386 4.550 -0.199 0.000 0.286 184 Y C 2.602 178.521 175.900 0.031 0.000 1.145 184 Y CA 1.416 59.419 58.100 -0.162 0.000 1.148 184 Y CB -0.142 38.088 38.460 -0.384 0.000 0.981 184 Y HN 0.083 nan 8.280 nan 0.000 0.507 185 L N -1.126 120.196 121.223 0.166 0.000 2.141 185 L HA -0.220 4.004 4.340 -0.194 0.000 0.209 185 L C 2.243 179.108 176.870 -0.009 0.000 1.094 185 L CA 1.706 56.615 54.840 0.116 0.000 0.763 185 L CB -0.815 41.324 42.059 0.134 0.000 0.908 185 L HN 0.219 nan 8.230 nan 0.000 0.437 186 T N -0.144 114.389 114.554 -0.035 0.000 2.857 186 T HA -0.043 4.191 4.350 -0.194 0.000 0.266 186 T C 1.903 176.469 174.700 -0.223 0.000 1.048 186 T CA 1.112 63.165 62.100 -0.078 0.000 1.139 186 T CB 0.040 68.917 68.868 0.015 0.000 0.874 186 T HN 0.197 nan 8.240 nan 0.000 0.455 187 I N -0.767 119.604 120.570 -0.331 0.000 2.494 187 I HA 0.092 4.146 4.170 -0.194 0.000 0.250 187 I C 1.230 176.849 176.117 -0.830 0.000 1.112 187 I CA 1.148 62.075 61.300 -0.622 0.000 1.438 187 I CB 0.041 37.575 38.000 -0.777 0.000 1.111 187 I HN 0.186 nan 8.210 nan 0.000 0.431 188 F N 0.711 120.440 119.950 -0.369 0.000 2.678 188 F HA 0.398 4.805 4.527 -0.200 0.000 0.305 188 F C 1.322 176.977 175.800 -0.242 0.000 1.090 188 F CA 0.244 58.008 58.000 -0.395 0.000 1.272 188 F CB 0.238 38.796 39.000 -0.738 0.000 1.060 188 F HN 0.102 nan 8.300 nan 0.000 0.576 189 G N 1.473 110.228 108.800 -0.074 0.000 2.741 189 G HA2 -0.214 3.630 3.960 -0.194 0.000 0.222 189 G HA3 -0.214 3.630 3.960 -0.194 0.000 0.222 189 G C -0.603 174.325 174.900 0.048 0.000 1.364 189 G CA -1.004 44.083 45.100 -0.021 0.000 0.866 189 G HN 0.276 nan 8.290 nan 0.000 0.555 190 R N -0.103 120.420 120.500 0.039 0.000 2.670 190 R HA 0.497 4.720 4.340 -0.194 0.000 0.289 190 R C -1.273 175.040 176.300 0.021 0.000 0.965 190 R CA -0.965 55.168 56.100 0.055 0.000 0.899 190 R CB 1.912 32.243 30.300 0.052 0.000 1.173 190 R HN 0.508 nan 8.270 nan 0.000 0.456 191 D N 3.224 123.624 120.400 -0.001 0.000 2.365 191 D HA 0.104 4.628 4.640 -0.194 0.000 0.237 191 D C 0.414 176.708 176.300 -0.010 0.000 1.190 191 D CA -0.159 53.825 54.000 -0.027 0.000 0.867 191 D CB 0.928 41.678 40.800 -0.083 0.000 1.050 191 D HN 0.491 nan 8.370 nan 0.000 0.491 192 L N 2.779 124.001 121.223 -0.002 0.000 2.607 192 L HA 0.050 4.274 4.340 -0.194 0.000 0.228 192 L C 2.027 178.899 176.870 0.003 0.000 1.123 192 L CA 0.075 54.918 54.840 0.005 0.000 0.890 192 L CB 0.079 42.142 42.059 0.007 0.000 1.103 192 L HN 0.314 nan 8.230 nan 0.000 0.468 193 T N -0.150 114.403 114.554 -0.002 0.000 2.821 193 T HA -0.120 4.114 4.350 -0.194 0.000 0.267 193 T C 1.538 176.239 174.700 0.002 0.000 1.046 193 T CA 1.636 63.736 62.100 -0.000 0.000 1.139 193 T CB -0.234 68.632 68.868 -0.003 0.000 0.871 193 T HN 0.485 nan 8.240 nan 0.000 0.454 194 R N 1.083 121.582 120.500 -0.002 0.000 2.835 194 R HA 0.477 4.701 4.340 -0.194 0.000 0.290 194 R C 1.174 177.481 176.300 0.011 0.000 1.410 194 R CA -0.419 55.683 56.100 0.003 0.000 1.590 194 R CB -0.912 29.385 30.300 -0.005 0.000 1.288 194 R HN 0.352 nan 8.270 nan 0.000 0.637 195 R N 0.702 121.212 120.500 0.016 0.000 2.096 195 R HA -0.122 4.101 4.340 -0.194 0.000 0.235 195 R C 1.107 177.427 176.300 0.033 0.000 1.127 195 R CA 1.779 57.895 56.100 0.026 0.000 0.968 195 R CB 0.221 30.535 30.300 0.024 0.000 0.861 195 R HN 0.768 nan 8.270 nan 0.000 0.440 196 D N -0.451 119.966 120.400 0.028 0.000 2.348 196 D HA -0.096 4.428 4.640 -0.194 0.000 0.216 196 D C 1.112 177.434 176.300 0.038 0.000 0.970 196 D CA 1.293 55.312 54.000 0.031 0.000 0.889 196 D CB -0.034 40.782 40.800 0.025 0.000 0.912 196 D HN 0.268 nan 8.370 nan 0.000 0.524 197 T N -3.496 111.083 114.554 0.041 0.000 3.132 197 T HA 0.094 4.327 4.350 -0.194 0.000 0.274 197 T C 1.513 176.258 174.700 0.075 0.000 1.011 197 T CA -0.329 61.803 62.100 0.052 0.000 0.899 197 T CB 0.564 69.460 68.868 0.047 0.000 1.089 197 T HN 0.091 nan 8.240 nan 0.000 0.543 198 Q N 1.659 121.503 119.800 0.072 0.000 2.079 198 Q HA -0.094 4.130 4.340 -0.194 0.000 0.200 198 Q C 2.558 178.633 176.000 0.125 0.000 0.974 198 Q CA 1.906 57.769 55.803 0.101 0.000 0.840 198 Q CB -0.489 28.299 28.738 0.084 0.000 0.898 198 Q HN 0.655 nan 8.270 nan 0.000 0.430 199 K N 0.311 120.767 120.400 0.093 0.000 2.152 199 K HA -0.078 4.126 4.320 -0.194 0.000 0.206 199 K C 1.912 178.556 176.600 0.073 0.000 1.048 199 K CA 1.550 57.887 56.287 0.083 0.000 0.933 199 K CB -1.099 31.442 32.500 0.069 0.000 0.721 199 K HN 0.518 nan 8.250 nan 0.000 0.447 200 A N -0.016 122.850 122.820 0.077 0.000 1.898 200 A HA -0.013 4.190 4.320 -0.194 0.000 0.214 200 A C 2.231 179.857 177.584 0.070 0.000 1.183 200 A CA 1.821 53.895 52.037 0.061 0.000 0.622 200 A CB -0.594 18.442 19.000 0.059 0.000 0.824 200 A HN 0.833 nan 8.150 nan 0.000 0.444 201 H N -0.115 118.962 119.070 0.012 0.000 2.319 201 H HA -0.073 4.367 4.556 -0.194 0.000 0.299 201 H C 1.734 177.040 175.328 -0.036 0.000 1.092 201 H CA 2.209 58.257 56.048 0.000 0.000 1.302 201 H CB -0.237 29.539 29.762 0.023 0.000 1.373 201 H HN 0.398 nan 8.280 nan 0.000 0.497 202 I N -0.441 120.142 120.570 0.021 0.000 2.179 202 I HA -0.216 3.838 4.170 -0.194 0.000 0.242 202 I C 2.296 178.368 176.117 -0.075 0.000 1.088 202 I CA 0.956 62.229 61.300 -0.045 0.000 1.357 202 I CB -0.192 37.861 38.000 0.088 0.000 1.051 202 I HN 0.315 nan 8.210 nan 0.000 0.409 203 L N 1.040 122.236 121.223 -0.044 0.000 2.042 203 L HA -0.236 3.987 4.340 -0.194 0.000 0.210 203 L C 2.117 178.916 176.870 -0.119 0.000 1.076 203 L CA 1.949 56.747 54.840 -0.071 0.000 0.749 203 L CB -0.951 41.091 42.059 -0.029 0.000 0.893 203 L HN 0.220 nan 8.230 nan 0.000 0.432 204 N N 0.322 118.952 118.700 -0.117 0.000 2.069 204 N HA -0.189 4.435 4.740 -0.194 0.000 0.191 204 N C 1.655 177.071 175.510 -0.157 0.000 1.031 204 N CA 1.932 54.908 53.050 -0.123 0.000 0.852 204 N CB -0.670 37.752 38.487 -0.109 0.000 1.018 204 N HN 0.535 nan 8.380 nan 0.000 0.423 205 N N 0.688 119.245 118.700 -0.238 0.000 2.120 205 N HA -0.064 4.560 4.740 -0.194 0.000 0.188 205 N C 1.830 177.201 175.510 -0.232 0.000 1.024 205 N CA 0.473 53.414 53.050 -0.182 0.000 0.852 205 N CB -0.143 38.157 38.487 -0.312 0.000 1.003 205 N HN 0.135 nan 8.380 nan 0.000 0.424 206 L N 0.750 121.684 121.223 -0.481 0.000 2.012 206 L HA -0.251 3.973 4.340 -0.194 0.000 0.210 206 L C 1.919 178.548 176.870 -0.402 0.000 1.073 206 L CA 1.766 56.092 54.840 -0.856 0.000 0.748 206 L CB -0.283 41.426 42.059 -0.585 0.000 0.891 206 L HN 0.192 nan 8.230 nan 0.000 0.431 207 D N -0.703 119.552 120.400 -0.242 0.000 2.117 207 D HA -0.207 4.317 4.640 -0.194 0.000 0.198 207 D C 1.871 178.124 176.300 -0.077 0.000 0.982 207 D CA 1.255 55.160 54.000 -0.158 0.000 0.828 207 D CB 0.005 40.736 40.800 -0.115 0.000 0.967 207 D HN 0.281 nan 8.370 nan 0.000 0.464 208 N N -0.454 118.225 118.700 -0.035 0.000 2.166 208 N HA -0.163 4.461 4.740 -0.194 0.000 0.186 208 N C 1.606 177.203 175.510 0.145 0.000 1.019 208 N CA 0.565 53.643 53.050 0.046 0.000 0.856 208 N CB -0.549 37.968 38.487 0.051 0.000 0.993 208 N HN 0.281 nan 8.380 nan 0.000 0.426 209 F N 2.233 122.211 119.950 0.048 0.000 2.102 209 F HA -0.096 4.301 4.527 -0.217 0.000 0.298 209 F C 2.152 178.076 175.800 0.206 0.000 1.105 209 F CA 1.375 59.508 58.000 0.221 0.000 1.239 209 F CB -0.060 39.084 39.000 0.240 0.000 0.991 209 F HN -0.113 nan 8.300 nan 0.000 0.474 210 K N -0.350 120.093 120.400 0.072 0.000 2.044 210 K HA -0.238 3.966 4.320 -0.194 0.000 0.210 210 K C 2.101 178.654 176.600 -0.078 0.000 1.049 210 K CA 1.772 58.042 56.287 -0.028 0.000 0.927 210 K CB -0.261 32.135 32.500 -0.173 0.000 0.713 210 K HN 0.324 nan 8.250 nan 0.000 0.443 211 Q N -0.357 119.419 119.800 -0.039 0.000 2.119 211 Q HA -0.134 4.090 4.340 -0.194 0.000 0.201 211 Q C 1.972 177.983 176.000 0.017 0.000 0.972 211 Q CA 1.111 56.906 55.803 -0.014 0.000 0.847 211 Q CB -0.283 28.467 28.738 0.019 0.000 0.903 211 Q HN 0.306 nan 8.270 nan 0.000 0.433 212 F N 2.202 122.078 119.950 -0.124 0.000 2.128 212 F HA -0.129 4.286 4.527 -0.187 0.000 0.295 212 F C 1.820 177.527 175.800 -0.156 0.000 1.100 212 F CA 1.629 59.555 58.000 -0.124 0.000 1.260 212 F CB -0.384 38.571 39.000 -0.075 0.000 1.009 212 F HN 0.034 nan 8.300 nan 0.000 0.476 213 D N 0.371 120.450 120.400 -0.534 0.000 2.144 213 D HA -0.211 4.313 4.640 -0.194 0.000 0.199 213 D C 2.267 178.418 176.300 -0.248 0.000 0.984 213 D CA 1.319 55.014 54.000 -0.509 0.000 0.834 213 D CB -0.361 40.129 40.800 -0.515 0.000 0.955 213 D HN 0.315 nan 8.370 nan 0.000 0.465 214 K N -0.034 120.247 120.400 -0.199 0.000 2.127 214 K HA -0.161 4.043 4.320 -0.194 0.000 0.208 214 K C 1.788 178.240 176.600 -0.247 0.000 1.047 214 K CA 1.719 57.908 56.287 -0.163 0.000 0.927 214 K CB -0.081 32.337 32.500 -0.137 0.000 0.716 214 K HN 0.261 nan 8.250 nan 0.000 0.450 215 V N -2.069 117.622 119.914 -0.372 0.000 3.647 215 V HA 0.049 4.053 4.120 -0.194 0.000 0.279 215 V C 1.626 177.380 176.094 -0.567 0.000 1.314 215 V CA 0.227 62.143 62.300 -0.640 0.000 1.125 215 V CB -0.698 30.539 31.823 -0.976 0.000 0.907 215 V HN 0.166 nan 8.190 nan 0.000 0.434 216 F N 2.476 122.077 119.950 -0.581 0.000 2.154 216 F HA 0.018 4.448 4.527 -0.161 0.000 0.301 216 F C -0.089 175.435 175.800 -0.460 0.000 1.087 216 F CA 2.323 59.965 58.000 -0.597 0.000 1.274 216 F CB -1.130 37.517 39.000 -0.589 0.000 1.009 216 F HN 0.315 nan 8.300 nan 0.000 0.485 217 P HA -0.174 nan 4.420 nan 0.000 0.216 217 P C 1.420 178.303 177.300 -0.695 0.000 1.150 217 P CA 2.116 65.036 63.100 -0.300 0.000 0.837 217 P CB -0.275 31.322 31.700 -0.172 0.000 0.786 218 A N -0.555 121.810 122.820 -0.757 0.000 1.898 218 A HA -0.135 4.068 4.320 -0.194 0.000 0.216 218 A C 2.191 179.474 177.584 -0.501 0.000 1.181 218 A CA 1.310 52.918 52.037 -0.714 0.000 0.620 218 A CB -1.574 17.166 19.000 -0.434 0.000 0.819 218 A HN 0.100 nan 8.150 nan 0.000 0.442 219 L N 0.175 121.057 121.223 -0.569 0.000 2.056 219 L HA -0.156 4.068 4.340 -0.194 0.000 0.207 219 L C 2.694 179.232 176.870 -0.553 0.000 1.078 219 L CA 1.557 56.066 54.840 -0.552 0.000 0.749 219 L CB -0.915 40.698 42.059 -0.745 0.000 0.901 219 L HN 0.446 nan 8.230 nan 0.000 0.433 220 V N -2.162 117.358 119.914 -0.658 0.000 2.490 220 V HA -0.161 3.842 4.120 -0.194 0.000 0.250 220 V C 2.391 178.326 176.094 -0.265 0.000 1.061 220 V CA 1.612 63.630 62.300 -0.470 0.000 1.064 220 V CB -1.143 30.474 31.823 -0.344 0.000 0.670 220 V HN 0.318 nan 8.190 nan 0.000 0.461 221 A N -0.027 122.643 122.820 -0.250 0.000 2.206 221 A HA 0.444 4.648 4.320 -0.194 0.000 0.211 221 A C 2.122 179.650 177.584 -0.094 0.000 1.158 221 A CA 1.185 53.162 52.037 -0.101 0.000 0.761 221 A CB -0.712 18.249 19.000 -0.064 0.000 0.801 221 A HN 1.775 nan 8.150 nan 0.000 0.473 222 G N -2.084 106.616 108.800 -0.166 0.000 2.176 222 G HA2 -0.154 3.690 3.960 -0.194 0.000 0.232 222 G HA3 -0.154 3.690 3.960 -0.194 0.000 0.232 222 G C -0.078 174.750 174.900 -0.119 0.000 0.986 222 G CA 0.027 45.046 45.100 -0.135 0.000 0.643 222 G HN 0.326 nan 8.290 nan 0.000 0.522 223 L N 2.926 124.078 121.223 -0.117 0.000 2.453 223 L HA 0.410 4.633 4.340 -0.194 0.000 0.272 223 L C -1.179 175.614 176.870 -0.128 0.000 1.182 223 L CA -1.261 53.527 54.840 -0.087 0.000 0.858 223 L CB 0.154 42.220 42.059 0.012 0.000 1.120 223 L HN 0.037 nan 8.230 nan 0.000 0.474 224 P HA 0.090 nan 4.420 nan 0.000 0.276 224 P C 1.017 178.105 177.300 -0.353 0.000 1.230 224 P CA -0.190 62.699 63.100 -0.350 0.000 0.776 224 P CB 0.990 32.325 31.700 -0.610 0.000 0.888 225 I N 3.224 123.632 120.570 -0.270 0.000 2.361 225 I HA -0.281 3.773 4.170 -0.194 0.000 0.251 225 I C 1.995 177.985 176.117 -0.212 0.000 1.133 225 I CA 1.284 62.489 61.300 -0.159 0.000 1.413 225 I CB -0.251 37.576 38.000 -0.288 0.000 1.073 225 I HN 0.491 nan 8.210 nan 0.000 0.424 226 H N -0.413 118.490 119.070 -0.278 0.000 2.567 226 H HA -0.125 4.315 4.556 -0.193 0.000 0.276 226 H C 1.899 177.152 175.328 -0.125 0.000 1.016 226 H CA 1.096 57.083 56.048 -0.100 0.000 1.186 226 H CB -0.677 29.070 29.762 -0.025 0.000 1.351 226 H HN 0.459 nan 8.280 nan 0.000 0.605 227 M N -0.029 119.234 119.600 -0.561 0.000 2.619 227 M HA 0.130 4.494 4.480 -0.194 0.000 0.251 227 M C -0.654 175.170 176.300 -0.794 0.000 1.106 227 M CA 0.738 55.627 55.300 -0.685 0.000 1.086 227 M CB 0.213 32.271 32.600 -0.903 0.000 1.465 227 M HN 0.179 nan 8.290 nan 0.000 0.506 228 F N 0.325 120.233 119.950 -0.070 0.000 2.531 228 F HA 0.399 4.814 4.527 -0.186 0.000 0.333 228 F C 1.141 176.970 175.800 0.048 0.000 1.292 228 F CA -0.870 57.116 58.000 -0.023 0.000 1.184 228 F CB 0.172 39.140 39.000 -0.052 0.000 1.426 228 F HN 0.042 nan 8.300 nan 0.000 0.559 229 R N 0.095 120.693 120.500 0.163 0.000 2.113 229 R HA -0.175 4.049 4.340 -0.194 0.000 0.244 229 R C 1.481 177.873 176.300 0.155 0.000 1.142 229 R CA 2.499 58.696 56.100 0.161 0.000 0.953 229 R CB -0.282 30.072 30.300 0.090 0.000 0.860 229 R HN 0.453 nan 8.270 nan 0.000 0.438 230 T N 0.212 114.844 114.554 0.129 0.000 2.746 230 T HA -0.079 4.154 4.350 -0.194 0.000 0.267 230 T C 1.746 176.518 174.700 0.120 0.000 1.039 230 T CA 1.370 63.528 62.100 0.098 0.000 1.142 230 T CB -0.242 68.668 68.868 0.071 0.000 0.866 230 T HN 0.527 nan 8.240 nan 0.000 0.444 231 A N 0.350 123.269 122.820 0.166 0.000 1.929 231 A HA -0.076 4.128 4.320 -0.194 0.000 0.216 231 A C 2.006 179.731 177.584 0.236 0.000 1.176 231 A CA 1.506 53.649 52.037 0.177 0.000 0.628 231 A CB -0.826 18.247 19.000 0.122 0.000 0.816 231 A HN 0.719 nan 8.150 nan 0.000 0.444 232 H N -0.259 118.881 119.070 0.115 0.000 2.353 232 H HA -0.120 4.320 4.556 -0.194 0.000 0.300 232 H C 1.900 177.245 175.328 0.029 0.000 1.090 232 H CA 1.187 57.280 56.048 0.075 0.000 1.327 232 H CB 0.128 29.945 29.762 0.092 0.000 1.383 232 H HN 0.416 nan 8.280 nan 0.000 0.508 233 N N 0.687 119.421 118.700 0.057 0.000 2.120 233 N HA -0.123 4.500 4.740 -0.194 0.000 0.188 233 N C 2.055 177.563 175.510 -0.002 0.000 1.024 233 N CA 1.136 54.163 53.050 -0.039 0.000 0.852 233 N CB -0.630 37.845 38.487 -0.021 0.000 1.003 233 N HN 0.415 nan 8.380 nan 0.000 0.424 234 A N 1.556 124.401 122.820 0.042 0.000 1.873 234 A HA -0.197 4.007 4.320 -0.194 0.000 0.218 234 A C 2.267 179.855 177.584 0.006 0.000 1.193 234 A CA 1.699 53.764 52.037 0.046 0.000 0.629 234 A CB -0.697 18.357 19.000 0.090 0.000 0.826 234 A HN 0.281 nan 8.150 nan 0.000 0.447 235 R N -0.739 119.729 120.500 -0.054 0.000 2.105 235 R HA -0.170 4.054 4.340 -0.194 0.000 0.239 235 R C 1.813 178.025 176.300 -0.147 0.000 1.135 235 R CA 1.750 57.659 56.100 -0.318 0.000 0.967 235 R CB -0.138 29.886 30.300 -0.459 0.000 0.861 235 R HN 0.511 nan 8.270 nan 0.000 0.442 236 E N 0.303 120.469 120.200 -0.055 0.000 2.170 236 E HA -0.089 4.144 4.350 -0.194 0.000 0.191 236 E C 1.806 178.397 176.600 -0.015 0.000 0.981 236 E CA 0.854 57.234 56.400 -0.033 0.000 0.830 236 E CB 0.071 29.735 29.700 -0.061 0.000 0.775 236 E HN 0.376 nan 8.360 nan 0.000 0.470 237 K N 0.629 121.022 120.400 -0.012 0.000 2.097 237 K HA -0.037 4.167 4.320 -0.194 0.000 0.206 237 K C 2.327 178.944 176.600 0.028 0.000 1.049 237 K CA 0.702 56.993 56.287 0.007 0.000 0.933 237 K CB -0.122 32.380 32.500 0.003 0.000 0.717 237 K HN 0.050 nan 8.250 nan 0.000 0.442 238 L N 0.599 121.843 121.223 0.036 0.000 2.017 238 L HA -0.200 4.024 4.340 -0.194 0.000 0.208 238 L C 2.622 179.538 176.870 0.077 0.000 1.073 238 L CA 1.274 56.163 54.840 0.082 0.000 0.745 238 L CB -0.619 41.527 42.059 0.146 0.000 0.894 238 L HN 0.196 nan 8.230 nan 0.000 0.432 239 A N -0.036 122.815 122.820 0.051 0.000 1.908 239 A HA -0.289 3.914 4.320 -0.194 0.000 0.218 239 A C 2.182 179.811 177.584 0.074 0.000 1.181 239 A CA 2.043 54.120 52.037 0.067 0.000 0.627 239 A CB -0.567 18.462 19.000 0.048 0.000 0.818 239 A HN 0.437 nan 8.150 nan 0.000 0.445 240 E N 1.005 121.240 120.200 0.058 0.000 2.070 240 E HA -0.192 4.042 4.350 -0.194 0.000 0.197 240 E C 2.091 178.744 176.600 0.087 0.000 1.004 240 E CA 2.130 58.568 56.400 0.064 0.000 0.805 240 E CB -0.414 29.314 29.700 0.047 0.000 0.744 240 E HN 0.673 nan 8.360 nan 0.000 0.451 241 S N -0.656 115.103 115.700 0.099 0.000 2.507 241 S HA -0.056 4.297 4.470 -0.194 0.000 0.235 241 S C 1.436 176.107 174.600 0.118 0.000 0.988 241 S CA 0.810 59.095 58.200 0.143 0.000 0.944 241 S CB -0.187 63.124 63.200 0.184 0.000 0.762 241 S HN 0.340 nan 8.310 nan 0.000 0.526 242 L N 0.381 121.658 121.223 0.090 0.000 3.014 242 L HA 0.379 4.602 4.340 -0.194 0.000 0.263 242 L C 0.649 177.638 176.870 0.197 0.000 1.207 242 L CA -0.501 54.385 54.840 0.075 0.000 1.017 242 L CB 0.112 42.192 42.059 0.035 0.000 1.360 242 L HN 0.035 nan 8.230 nan 0.000 0.560 243 R N -0.218 120.386 120.500 0.174 0.000 2.643 243 R HA 0.046 4.270 4.340 -0.194 0.000 0.270 243 R C 1.094 177.557 176.300 0.271 0.000 1.061 243 R CA -0.081 56.148 56.100 0.216 0.000 1.107 243 R CB 0.521 30.902 30.300 0.135 0.000 0.999 243 R HN 0.245 nan 8.270 nan 0.000 0.460 244 H N 1.773 120.915 119.070 0.120 0.000 2.387 244 H HA -0.198 4.242 4.556 -0.194 0.000 0.299 244 H C 2.283 177.650 175.328 0.064 0.000 1.099 244 H CA 1.536 57.644 56.048 0.100 0.000 1.315 244 H CB 0.308 30.137 29.762 0.112 0.000 1.380 244 H HN 0.847 nan 8.280 nan 0.000 0.513 245 E N 1.852 122.164 120.200 0.186 0.000 2.118 245 E HA -0.190 4.044 4.350 -0.194 0.000 0.195 245 E C 1.809 178.457 176.600 0.081 0.000 0.992 245 E CA 1.505 57.970 56.400 0.109 0.000 0.804 245 E CB -0.423 29.328 29.700 0.084 0.000 0.741 245 E HN 0.520 nan 8.360 nan 0.000 0.458 246 N N -0.365 118.387 118.700 0.086 0.000 2.395 246 N HA 0.105 4.729 4.740 -0.194 0.000 0.175 246 N C 1.926 177.462 175.510 0.043 0.000 1.029 246 N CA 0.784 53.872 53.050 0.064 0.000 0.897 246 N CB 0.111 38.647 38.487 0.081 0.000 0.991 246 N HN 0.415 nan 8.380 nan 0.000 0.441 247 L N 1.039 122.282 121.223 0.034 0.000 2.109 247 L HA -0.076 4.147 4.340 -0.194 0.000 0.207 247 L C 2.135 178.993 176.870 -0.020 0.000 1.086 247 L CA 0.863 55.695 54.840 -0.014 0.000 0.760 247 L CB -0.378 41.621 42.059 -0.100 0.000 0.910 247 L HN 0.107 nan 8.230 nan 0.000 0.437 248 Q N 0.430 120.230 119.800 -0.001 0.000 2.248 248 Q HA -0.234 3.989 4.340 -0.194 0.000 0.208 248 Q C 1.854 177.858 176.000 0.007 0.000 0.984 248 Q CA 1.462 57.269 55.803 0.007 0.000 0.875 248 Q CB -0.050 28.709 28.738 0.035 0.000 0.910 248 Q HN 0.478 nan 8.270 nan 0.000 0.433 249 K N 0.110 120.515 120.400 0.008 0.000 2.486 249 K HA 0.020 4.224 4.320 -0.194 0.000 0.194 249 K C 0.273 176.869 176.600 -0.006 0.000 1.033 249 K CA 0.318 56.606 56.287 0.003 0.000 1.004 249 K CB 0.217 32.717 32.500 0.001 0.000 0.798 249 K HN 0.097 nan 8.250 nan 0.000 0.495 250 R N 1.123 121.618 120.500 -0.008 0.000 2.536 250 R HA 0.298 4.522 4.340 -0.194 0.000 0.279 250 R C -0.293 175.999 176.300 -0.013 0.000 1.001 250 R CA -0.392 55.703 56.100 -0.008 0.000 1.027 250 R CB 1.295 31.596 30.300 0.001 0.000 1.096 250 R HN 0.052 nan 8.270 nan 0.000 0.502 251 E N 0.060 120.254 120.200 -0.011 0.000 2.320 251 E HA 0.171 4.404 4.350 -0.194 0.000 0.264 251 E C -0.613 175.974 176.600 -0.022 0.000 0.923 251 E CA -0.702 55.688 56.400 -0.016 0.000 0.796 251 E CB 1.959 31.654 29.700 -0.010 0.000 1.262 251 E HN 0.695 nan 8.360 nan 0.000 0.428 252 S N -0.035 115.647 115.700 -0.031 0.000 3.628 252 S HA -0.221 4.132 4.470 -0.194 0.000 0.373 252 S C 0.085 174.642 174.600 -0.071 0.000 0.968 252 S CA 0.239 58.412 58.200 -0.044 0.000 1.215 252 S CB -2.299 60.883 63.200 -0.031 0.000 0.912 252 S HN 0.449 nan 8.310 nan 0.000 0.495 253 I N 2.182 122.702 120.570 -0.083 0.000 2.638 253 I HA 0.254 4.308 4.170 -0.194 0.000 0.286 253 I C 1.309 177.334 176.117 -0.153 0.000 1.088 253 I CA 0.142 61.365 61.300 -0.128 0.000 1.397 253 I CB 1.039 38.969 38.000 -0.116 0.000 1.414 253 I HN 0.690 nan 8.210 nan 0.000 0.566 254 S N 3.463 119.029 115.700 -0.223 0.000 2.572 254 S HA 0.060 4.414 4.470 -0.194 0.000 0.279 254 S C 0.829 175.329 174.600 -0.167 0.000 1.341 254 S CA -0.532 57.532 58.200 -0.227 0.000 1.043 254 S CB 0.919 63.923 63.200 -0.327 0.000 0.887 254 S HN 0.672 nan 8.310 nan 0.000 0.516 255 E N 0.402 120.522 120.200 -0.132 0.000 2.130 255 E HA -0.189 4.045 4.350 -0.194 0.000 0.196 255 E C 1.752 178.311 176.600 -0.069 0.000 0.998 255 E CA 1.182 57.532 56.400 -0.083 0.000 0.806 255 E CB -0.333 29.335 29.700 -0.054 0.000 0.738 255 E HN 0.659 nan 8.360 nan 0.000 0.459 256 L N 1.161 122.326 121.223 -0.097 0.000 1.971 256 L HA -0.226 3.997 4.340 -0.194 0.000 0.215 256 L C 2.046 178.900 176.870 -0.026 0.000 1.072 256 L CA 1.780 56.592 54.840 -0.047 0.000 0.758 256 L CB -0.437 41.574 42.059 -0.080 0.000 0.889 256 L HN 0.094 nan 8.230 nan 0.000 0.433 257 I N -0.514 119.983 120.570 -0.121 0.000 2.252 257 I HA -0.199 3.855 4.170 -0.194 0.000 0.245 257 I C 2.541 178.619 176.117 -0.065 0.000 1.102 257 I CA 1.422 62.651 61.300 -0.118 0.000 1.385 257 I CB -1.613 36.199 38.000 -0.315 0.000 1.064 257 I HN 0.296 nan 8.210 nan 0.000 0.414 258 S N 1.184 116.840 115.700 -0.074 0.000 2.359 258 S HA -0.182 4.172 4.470 -0.194 0.000 0.224 258 S C 1.984 176.613 174.600 0.050 0.000 1.035 258 S CA 1.214 59.395 58.200 -0.030 0.000 1.018 258 S CB -0.547 62.625 63.200 -0.046 0.000 0.876 258 S HN 0.359 nan 8.310 nan 0.000 0.448 259 L N 1.919 123.171 121.223 0.048 0.000 2.109 259 L HA 0.074 4.298 4.340 -0.194 0.000 0.207 259 L C 2.262 179.239 176.870 0.177 0.000 1.086 259 L CA 1.594 56.497 54.840 0.104 0.000 0.760 259 L CB -0.466 41.624 42.059 0.051 0.000 0.910 259 L HN 0.061 nan 8.230 nan 0.000 0.437 260 R N -0.876 119.714 120.500 0.151 0.000 2.092 260 R HA -0.092 4.132 4.340 -0.194 0.000 0.231 260 R C 2.142 178.610 176.300 0.281 0.000 1.119 260 R CA 1.764 57.982 56.100 0.196 0.000 0.970 260 R CB -0.516 29.926 30.300 0.236 0.000 0.864 260 R HN 0.455 nan 8.270 nan 0.000 0.440 261 M N -0.558 119.201 119.600 0.265 0.000 2.086 261 M HA -0.185 4.178 4.480 -0.194 0.000 0.261 261 M C 2.110 178.580 176.300 0.284 0.000 1.067 261 M CA 1.641 57.052 55.300 0.184 0.000 1.116 261 M CB -0.486 32.002 32.600 -0.187 0.000 1.348 261 M HN 0.011 nan 8.290 nan 0.000 0.407 262 F N 1.351 121.359 119.950 0.097 0.000 2.069 262 F HA -0.226 4.183 4.527 -0.195 0.000 0.298 262 F C 1.855 177.706 175.800 0.085 0.000 1.113 262 F CA 1.752 59.800 58.000 0.080 0.000 1.214 262 F CB -0.255 38.768 39.000 0.038 0.000 0.978 262 F HN -0.025 nan 8.300 nan 0.000 0.474 263 L N -0.165 121.119 121.223 0.101 0.000 2.313 263 L HA -0.141 4.083 4.340 -0.194 0.000 0.214 263 L C 2.107 178.965 176.870 -0.021 0.000 1.119 263 L CA 0.432 55.266 54.840 -0.010 0.000 0.809 263 L CB -0.804 41.308 42.059 0.088 0.000 0.933 263 L HN 0.145 nan 8.230 nan 0.000 0.449 264 N N 0.435 119.182 118.700 0.078 0.000 2.084 264 N HA -0.184 4.440 4.740 -0.194 0.000 0.190 264 N C 1.429 176.939 175.510 -0.001 0.000 1.030 264 N CA 1.486 54.602 53.050 0.109 0.000 0.849 264 N CB -0.159 38.466 38.487 0.230 0.000 1.012 264 N HN 0.284 nan 8.380 nan 0.000 0.423 265 D N -0.956 119.426 120.400 -0.031 0.000 2.162 265 D HA -0.039 4.484 4.640 -0.194 0.000 0.203 265 D C 1.905 178.085 176.300 -0.199 0.000 0.967 265 D CA 1.355 55.295 54.000 -0.100 0.000 0.840 265 D CB -0.243 40.521 40.800 -0.060 0.000 0.972 265 D HN 0.451 nan 8.370 nan 0.000 0.482 266 T N -2.152 112.202 114.554 -0.333 0.000 3.039 266 T HA 0.156 4.390 4.350 -0.194 0.000 0.250 266 T C 1.911 176.479 174.700 -0.221 0.000 1.052 266 T CA 0.049 61.944 62.100 -0.342 0.000 1.125 266 T CB -0.072 68.436 68.868 -0.601 0.000 0.908 266 T HN 0.047 nan 8.240 nan 0.000 0.473 267 L N 1.865 122.974 121.223 -0.191 0.000 2.616 267 L HA 0.379 4.603 4.340 -0.194 0.000 0.229 267 L C 0.868 177.623 176.870 -0.191 0.000 1.110 267 L CA -0.181 54.570 54.840 -0.149 0.000 0.884 267 L CB 0.232 42.230 42.059 -0.102 0.000 1.115 267 L HN 0.377 nan 8.230 nan 0.000 0.481 268 S N -1.760 113.806 115.700 -0.223 0.000 2.634 268 S HA 0.398 4.751 4.470 -0.194 0.000 0.296 268 S C 0.399 174.809 174.600 -0.317 0.000 1.104 268 S CA -0.264 57.704 58.200 -0.386 0.000 0.920 268 S CB 1.839 64.708 63.200 -0.552 0.000 1.111 268 S HN 0.117 nan 8.310 nan 0.000 0.493 269 T N -0.969 113.344 114.554 -0.403 0.000 3.269 269 T HA 0.398 4.632 4.350 -0.194 0.000 0.269 269 T C -0.295 174.301 174.700 -0.173 0.000 0.993 269 T CA -0.534 61.423 62.100 -0.237 0.000 0.909 269 T CB -1.182 67.575 68.868 -0.185 0.000 1.115 269 T HN 0.501 nan 8.240 nan 0.000 0.543 270 F N 3.377 123.277 119.950 -0.082 0.000 2.471 270 F HA 0.320 4.732 4.527 -0.192 0.000 0.353 270 F C 1.264 177.014 175.800 -0.083 0.000 1.113 270 F CA -1.215 56.737 58.000 -0.081 0.000 1.262 270 F CB 0.578 39.514 39.000 -0.106 0.000 1.146 270 F HN 0.316 nan 8.300 nan 0.000 0.578 271 D N 0.679 121.172 120.400 0.155 0.000 2.380 271 D HA -0.017 4.506 4.640 -0.194 0.000 0.254 271 D C 0.459 176.763 176.300 0.007 0.000 1.288 271 D CA -0.299 53.732 54.000 0.052 0.000 1.008 271 D CB 0.412 41.236 40.800 0.040 0.000 1.099 271 D HN 0.364 nan 8.370 nan 0.000 0.537 272 D N -1.097 119.292 120.400 -0.018 0.000 2.144 272 D HA -0.093 4.430 4.640 -0.194 0.000 0.200 272 D C 1.765 178.051 176.300 -0.024 0.000 0.978 272 D CA 0.555 54.528 54.000 -0.045 0.000 0.833 272 D CB -0.199 40.589 40.800 -0.020 0.000 0.961 272 D HN 0.280 nan 8.370 nan 0.000 0.470 273 L N 1.232 122.453 121.223 -0.003 0.000 2.072 273 L HA -0.070 4.153 4.340 -0.194 0.000 0.205 273 L C 1.866 178.723 176.870 -0.022 0.000 1.079 273 L CA 1.664 56.509 54.840 0.007 0.000 0.752 273 L CB -0.396 41.674 42.059 0.018 0.000 0.906 273 L HN -0.079 nan 8.230 nan 0.000 0.436 274 E N -0.515 119.652 120.200 -0.055 0.000 2.110 274 E HA -0.237 3.996 4.350 -0.194 0.000 0.193 274 E C 2.098 178.501 176.600 -0.328 0.000 0.988 274 E CA 1.272 57.564 56.400 -0.180 0.000 0.804 274 E CB -0.086 29.503 29.700 -0.184 0.000 0.745 274 E HN 0.480 nan 8.360 nan 0.000 0.458 275 K N 0.538 120.811 120.400 -0.212 0.000 2.063 275 K HA -0.162 4.042 4.320 -0.194 0.000 0.208 275 K C 2.217 178.739 176.600 -0.130 0.000 1.048 275 K CA 1.191 57.352 56.287 -0.211 0.000 0.928 275 K CB -0.176 32.167 32.500 -0.261 0.000 0.713 275 K HN 0.062 nan 8.250 nan 0.000 0.442 276 A N 1.806 124.636 122.820 0.017 0.000 1.902 276 A HA -0.168 4.036 4.320 -0.194 0.000 0.217 276 A C 1.891 179.512 177.584 0.061 0.000 1.181 276 A CA 1.407 53.532 52.037 0.146 0.000 0.623 276 A CB -0.182 18.895 19.000 0.127 0.000 0.818 276 A HN 0.072 nan 8.150 nan 0.000 0.443 277 K N -0.043 120.341 120.400 -0.028 0.000 2.148 277 K HA -0.106 4.097 4.320 -0.194 0.000 0.204 277 K C 2.210 178.722 176.600 -0.148 0.000 1.050 277 K CA 1.792 58.079 56.287 -0.000 0.000 0.942 277 K CB -1.176 31.370 32.500 0.076 0.000 0.724 277 K HN 0.754 nan 8.250 nan 0.000 0.446 278 T N -0.870 113.464 114.554 -0.368 0.000 2.833 278 T HA -0.145 4.088 4.350 -0.194 0.000 0.269 278 T C 1.681 176.269 174.700 -0.186 0.000 1.054 278 T CA 1.079 62.929 62.100 -0.415 0.000 1.135 278 T CB -0.268 68.288 68.868 -0.520 0.000 0.869 278 T HN 0.185 nan 8.240 nan 0.000 0.466 279 H N 0.289 119.394 119.070 0.058 0.000 2.470 279 H HA 0.231 4.669 4.556 -0.197 0.000 0.289 279 H C 2.192 177.644 175.328 0.207 0.000 1.033 279 H CA 1.001 57.162 56.048 0.188 0.000 1.331 279 H CB -0.335 29.569 29.762 0.236 0.000 1.414 279 H HN 0.326 nan 8.280 nan 0.000 0.545 280 L N 0.810 122.164 121.223 0.218 0.000 2.093 280 L HA -0.099 4.125 4.340 -0.194 0.000 0.208 280 L C 2.211 179.199 176.870 0.198 0.000 1.085 280 L CA 0.939 55.938 54.840 0.265 0.000 0.755 280 L CB -0.646 41.584 42.059 0.285 0.000 0.904 280 L HN -0.078 nan 8.230 nan 0.000 0.435 281 V N -0.983 118.781 119.914 -0.251 0.000 2.282 281 V HA -0.327 3.677 4.120 -0.194 0.000 0.249 281 V C 2.496 178.652 176.094 0.104 0.000 1.057 281 V CA 1.900 63.888 62.300 -0.520 0.000 1.032 281 V CB -0.662 30.913 31.823 -0.413 0.000 0.645 281 V HN 0.374 nan 8.190 nan 0.000 0.447 282 V N -0.573 119.461 119.914 0.200 0.000 2.379 282 V HA -0.189 3.815 4.120 -0.194 0.000 0.245 282 V C 2.321 178.577 176.094 0.270 0.000 1.044 282 V CA 1.767 64.195 62.300 0.215 0.000 1.036 282 V CB -0.530 31.435 31.823 0.237 0.000 0.664 282 V HN 0.513 nan 8.190 nan 0.000 0.453 283 L N -0.348 121.142 121.223 0.445 0.000 2.012 283 L HA -0.204 4.020 4.340 -0.194 0.000 0.210 283 L C 2.059 179.138 176.870 0.348 0.000 1.073 283 L CA 2.332 57.431 54.840 0.431 0.000 0.748 283 L CB -0.853 41.471 42.059 0.442 0.000 0.891 283 L HN 0.528 nan 8.230 nan 0.000 0.431 284 W N 0.290 121.864 121.300 0.457 0.000 2.353 284 W HA -0.176 4.434 4.660 -0.083 0.000 0.319 284 W C 2.464 179.149 176.519 0.276 0.000 1.207 284 W CA 2.700 60.395 57.345 0.583 0.000 1.291 284 W CB -0.628 29.282 29.460 0.749 0.000 1.159 284 W HN 0.253 nan 8.180 nan 0.000 0.478 285 A N 0.086 123.099 122.820 0.322 0.000 1.978 285 A HA -0.268 3.936 4.320 -0.194 0.000 0.220 285 A C 2.042 179.543 177.584 -0.138 0.000 1.170 285 A CA 2.774 54.827 52.037 0.027 0.000 0.636 285 A CB -1.515 17.562 19.000 0.129 0.000 0.810 285 A HN 0.438 nan 8.150 nan 0.000 0.448 286 S N -1.995 113.658 115.700 -0.078 0.000 2.489 286 S HA -0.034 4.319 4.470 -0.194 0.000 0.228 286 S C 1.684 176.176 174.600 -0.180 0.000 0.995 286 S CA 1.017 59.160 58.200 -0.094 0.000 0.934 286 S CB 0.002 63.168 63.200 -0.056 0.000 0.771 286 S HN 0.571 nan 8.310 nan 0.000 0.522 287 Q N 0.313 119.946 119.800 -0.279 0.000 2.511 287 Q HA 0.433 4.657 4.340 -0.194 0.000 0.236 287 Q C 2.375 178.169 176.000 -0.343 0.000 0.893 287 Q CA 1.040 56.632 55.803 -0.352 0.000 0.947 287 Q CB -0.487 27.900 28.738 -0.584 0.000 1.110 287 Q HN 0.587 nan 8.270 nan 0.000 0.591 288 A N 1.626 124.153 122.820 -0.488 0.000 2.015 288 A HA -0.125 4.079 4.320 -0.194 0.000 0.219 288 A C 1.678 179.052 177.584 -0.350 0.000 1.163 288 A CA 1.363 53.093 52.037 -0.512 0.000 0.646 288 A CB -0.152 18.053 19.000 -1.325 0.000 0.806 288 A HN 0.224 nan 8.150 nan 0.000 0.448 289 N N -1.276 117.220 118.700 -0.340 0.000 2.432 289 N HA -0.026 4.597 4.740 -0.194 0.000 0.174 289 N C 1.473 176.884 175.510 -0.165 0.000 1.037 289 N CA 1.350 54.277 53.050 -0.204 0.000 0.892 289 N CB -0.290 38.077 38.487 -0.201 0.000 1.049 289 N HN 0.363 nan 8.380 nan 0.000 0.442 290 T N 1.837 116.271 114.554 -0.201 0.000 2.821 290 T HA 0.079 4.312 4.350 -0.194 0.000 0.267 290 T C 2.101 176.657 174.700 -0.239 0.000 1.046 290 T CA 0.606 62.590 62.100 -0.194 0.000 1.139 290 T CB 0.055 68.793 68.868 -0.216 0.000 0.871 290 T HN 0.119 nan 8.240 nan 0.000 0.454 291 I N 1.654 122.042 120.570 -0.302 0.000 2.133 291 I HA -0.099 3.955 4.170 -0.194 0.000 0.238 291 I C -0.481 175.439 176.117 -0.327 0.000 1.074 291 I CA 1.092 62.136 61.300 -0.428 0.000 1.342 291 I CB -1.082 36.513 38.000 -0.676 0.000 1.053 291 I HN 0.160 nan 8.210 nan 0.000 0.404 292 P HA -0.158 nan 4.420 nan 0.000 0.218 292 P C 1.376 178.810 177.300 0.223 0.000 1.149 292 P CA 1.867 65.057 63.100 0.149 0.000 0.817 292 P CB -0.054 31.813 31.700 0.278 0.000 0.785 293 A N -0.054 122.828 122.820 0.103 0.000 1.940 293 A HA -0.155 4.049 4.320 -0.194 0.000 0.219 293 A C 2.312 179.941 177.584 0.076 0.000 1.176 293 A CA 2.435 54.539 52.037 0.111 0.000 0.631 293 A CB -1.869 17.129 19.000 -0.004 0.000 0.814 293 A HN 0.199 nan 8.150 nan 0.000 0.446 294 T N -0.863 113.654 114.554 -0.063 0.000 2.812 294 T HA -0.077 4.157 4.350 -0.194 0.000 0.264 294 T C 1.611 176.249 174.700 -0.104 0.000 1.042 294 T CA 1.385 63.388 62.100 -0.161 0.000 1.140 294 T CB -0.394 68.201 68.868 -0.455 0.000 0.870 294 T HN 0.519 nan 8.240 nan 0.000 0.445 295 F N 0.544 120.345 119.950 -0.249 0.000 2.069 295 F HA -0.108 4.294 4.527 -0.208 0.000 0.298 295 F C 1.930 177.652 175.800 -0.129 0.000 1.113 295 F CA 1.134 58.977 58.000 -0.263 0.000 1.214 295 F CB -0.632 38.136 39.000 -0.387 0.000 0.978 295 F HN 0.192 nan 8.300 nan 0.000 0.474 296 W N 0.638 121.866 121.300 -0.120 0.000 2.355 296 W HA -0.188 4.337 4.660 -0.226 0.000 0.309 296 W C 2.814 179.221 176.519 -0.187 0.000 1.206 296 W CA 1.395 58.630 57.345 -0.183 0.000 1.284 296 W CB -0.801 28.698 29.460 0.064 0.000 1.145 296 W HN -0.062 nan 8.180 nan 0.000 0.502 297 S N 0.564 116.341 115.700 0.127 0.000 2.359 297 S HA -0.226 4.127 4.470 -0.194 0.000 0.224 297 S C 1.700 176.300 174.600 -0.001 0.000 1.035 297 S CA 1.495 59.745 58.200 0.083 0.000 1.018 297 S CB -0.890 62.379 63.200 0.115 0.000 0.876 297 S HN 0.167 nan 8.310 nan 0.000 0.448 298 L N 1.028 122.234 121.223 -0.028 0.000 1.994 298 L HA 0.001 4.225 4.340 -0.194 0.000 0.208 298 L C 2.006 178.769 176.870 -0.179 0.000 1.071 298 L CA 1.704 56.512 54.840 -0.053 0.000 0.745 298 L CB -0.927 41.145 42.059 0.020 0.000 0.892 298 L HN 0.280 nan 8.230 nan 0.000 0.431 299 F N 0.115 119.771 119.950 -0.490 0.000 2.095 299 F HA -0.268 4.141 4.527 -0.197 0.000 0.298 299 F C 2.481 178.071 175.800 -0.350 0.000 1.104 299 F CA 1.972 59.666 58.000 -0.510 0.000 1.232 299 F CB -0.483 37.991 39.000 -0.878 0.000 0.987 299 F HN 0.217 nan 8.300 nan 0.000 0.475 300 Q N -0.097 119.418 119.800 -0.475 0.000 2.124 300 Q HA -0.243 3.981 4.340 -0.194 0.000 0.202 300 Q C 2.438 178.051 176.000 -0.645 0.000 0.977 300 Q CA 1.925 57.232 55.803 -0.826 0.000 0.850 300 Q CB -0.657 27.334 28.738 -1.245 0.000 0.901 300 Q HN 0.583 nan 8.270 nan 0.000 0.429 301 M N -0.143 119.256 119.600 -0.335 0.000 2.132 301 M HA -0.114 4.250 4.480 -0.194 0.000 0.263 301 M C 1.922 178.122 176.300 -0.166 0.000 1.065 301 M CA 1.283 56.499 55.300 -0.140 0.000 1.122 301 M CB 0.048 32.624 32.600 -0.040 0.000 1.365 301 M HN 0.098 nan 8.290 nan 0.000 0.411 302 I N -0.496 119.948 120.570 -0.211 0.000 2.353 302 I HA -0.256 3.798 4.170 -0.194 0.000 0.248 302 I C 2.618 178.608 176.117 -0.212 0.000 1.119 302 I CA 1.019 62.221 61.300 -0.163 0.000 1.417 302 I CB -0.524 37.403 38.000 -0.121 0.000 1.078 302 I HN 0.371 nan 8.210 nan 0.000 0.421 303 R N 1.251 121.518 120.500 -0.388 0.000 2.148 303 R HA -0.032 4.191 4.340 -0.194 0.000 0.223 303 R C 0.185 176.347 176.300 -0.230 0.000 1.088 303 R CA 0.812 56.671 56.100 -0.402 0.000 0.985 303 R CB 0.085 29.897 30.300 -0.813 0.000 0.880 303 R HN 0.367 nan 8.270 nan 0.000 0.451 304 N N 1.181 119.770 118.700 -0.185 0.000 2.546 304 N HA 0.134 4.758 4.740 -0.194 0.000 0.238 304 N C -2.323 173.143 175.510 -0.073 0.000 0.984 304 N CA -1.416 51.598 53.050 -0.061 0.000 0.935 304 N CB 1.921 40.457 38.487 0.081 0.000 1.122 304 N HN 0.022 nan 8.380 nan 0.000 0.510 305 P HA -0.167 nan 4.420 nan 0.000 0.215 305 P C 1.351 178.583 177.300 -0.113 0.000 1.153 305 P CA 0.985 64.043 63.100 -0.071 0.000 0.853 305 P CB 0.434 32.109 31.700 -0.041 0.000 0.788 306 E N -0.681 119.441 120.200 -0.131 0.000 2.153 306 E HA -0.188 4.046 4.350 -0.194 0.000 0.194 306 E C 2.075 178.323 176.600 -0.588 0.000 0.988 306 E CA 1.178 57.433 56.400 -0.241 0.000 0.811 306 E CB -1.128 28.499 29.700 -0.121 0.000 0.746 306 E HN 0.266 nan 8.360 nan 0.000 0.466 307 A N -0.067 122.426 122.820 -0.545 0.000 1.897 307 A HA -0.035 4.169 4.320 -0.194 0.000 0.215 307 A C 2.219 179.651 177.584 -0.253 0.000 1.181 307 A CA 1.864 53.576 52.037 -0.542 0.000 0.620 307 A CB -0.631 18.331 19.000 -0.062 0.000 0.821 307 A HN 0.493 nan 8.150 nan 0.000 0.443 308 M N 0.223 119.728 119.600 -0.158 0.000 2.080 308 M HA -0.136 4.228 4.480 -0.194 0.000 0.260 308 M C 1.978 178.229 176.300 -0.082 0.000 1.068 308 M CA 2.294 57.541 55.300 -0.089 0.000 1.109 308 M CB -0.444 32.118 32.600 -0.063 0.000 1.342 308 M HN 0.436 nan 8.290 nan 0.000 0.405 309 K N -0.631 119.705 120.400 -0.107 0.000 1.985 309 K HA -0.142 4.062 4.320 -0.194 0.000 0.210 309 K C 1.879 178.439 176.600 -0.068 0.000 1.047 309 K CA 1.719 57.961 56.287 -0.074 0.000 0.932 309 K CB -0.423 32.033 32.500 -0.074 0.000 0.716 309 K HN 0.389 nan 8.250 nan 0.000 0.439 310 A N 0.896 123.642 122.820 -0.123 0.000 1.940 310 A HA -0.140 4.064 4.320 -0.194 0.000 0.219 310 A C 2.297 179.883 177.584 0.003 0.000 1.176 310 A CA 2.076 54.086 52.037 -0.045 0.000 0.631 310 A CB -0.799 18.175 19.000 -0.043 0.000 0.814 310 A HN 0.537 nan 8.150 nan 0.000 0.446 311 A N -1.208 121.601 122.820 -0.019 0.000 1.897 311 A HA -0.006 4.198 4.320 -0.194 0.000 0.215 311 A C 2.300 179.889 177.584 0.008 0.000 1.181 311 A CA 2.100 54.148 52.037 0.018 0.000 0.620 311 A CB -1.233 17.779 19.000 0.021 0.000 0.821 311 A HN 0.420 nan 8.150 nan 0.000 0.443 312 T N 0.072 114.623 114.554 -0.005 0.000 2.635 312 T HA -0.108 4.126 4.350 -0.194 0.000 0.267 312 T C 2.251 176.954 174.700 0.005 0.000 1.040 312 T CA 2.581 64.681 62.100 0.000 0.000 1.156 312 T CB -0.686 68.182 68.868 -0.001 0.000 0.863 312 T HN 0.766 nan 8.240 nan 0.000 0.430 313 E N 1.534 121.738 120.200 0.006 0.000 2.058 313 E HA -0.243 3.991 4.350 -0.194 0.000 0.194 313 E C 1.882 178.492 176.600 0.016 0.000 0.997 313 E CA 1.881 58.288 56.400 0.012 0.000 0.801 313 E CB -0.917 28.791 29.700 0.014 0.000 0.746 313 E HN 0.821 nan 8.360 nan 0.000 0.450 314 E N -0.225 119.988 120.200 0.023 0.000 2.077 314 E HA -0.131 4.103 4.350 -0.194 0.000 0.193 314 E C 2.250 178.860 176.600 0.016 0.000 0.989 314 E CA 1.356 57.772 56.400 0.026 0.000 0.800 314 E CB -0.116 29.608 29.700 0.040 0.000 0.746 314 E HN 0.350 nan 8.360 nan 0.000 0.452 315 V N 1.319 121.240 119.914 0.011 0.000 2.295 315 V HA -0.256 3.747 4.120 -0.194 0.000 0.246 315 V C 2.400 178.493 176.094 -0.001 0.000 1.049 315 V CA 2.078 64.378 62.300 0.001 0.000 1.024 315 V CB -0.449 31.369 31.823 -0.008 0.000 0.648 315 V HN 0.251 nan 8.190 nan 0.000 0.447 316 K N -0.443 119.958 120.400 0.003 0.000 2.032 316 K HA -0.221 3.983 4.320 -0.194 0.000 0.209 316 K C 2.409 179.012 176.600 0.005 0.000 1.048 316 K CA 1.679 57.968 56.287 0.004 0.000 0.927 316 K CB -0.265 32.239 32.500 0.007 0.000 0.712 316 K HN 0.266 nan 8.250 nan 0.000 0.441 317 R N 0.303 120.807 120.500 0.007 0.000 2.115 317 R HA -0.170 4.054 4.340 -0.194 0.000 0.239 317 R C 2.205 178.507 176.300 0.004 0.000 1.133 317 R CA 2.339 58.444 56.100 0.007 0.000 0.935 317 R CB -0.390 29.916 30.300 0.010 0.000 0.853 317 R HN 0.175 nan 8.270 nan 0.000 0.433 318 T N 1.125 115.681 114.554 0.003 0.000 2.788 318 T HA -0.083 4.150 4.350 -0.194 0.000 0.268 318 T C 1.764 176.461 174.700 -0.005 0.000 1.044 318 T CA 1.200 63.299 62.100 -0.001 0.000 1.139 318 T CB -0.072 68.794 68.868 -0.003 0.000 0.867 318 T HN 0.158 nan 8.240 nan 0.000 0.454 319 L N 0.440 121.660 121.223 -0.005 0.000 2.027 319 L HA -0.061 4.163 4.340 -0.194 0.000 0.206 319 L C 2.737 179.606 176.870 -0.001 0.000 1.074 319 L CA 1.369 56.206 54.840 -0.005 0.000 0.745 319 L CB -0.512 41.544 42.059 -0.004 0.000 0.898 319 L HN 0.284 nan 8.230 nan 0.000 0.433 320 E N 1.068 121.268 120.200 0.001 0.000 2.033 320 E HA -0.279 3.955 4.350 -0.194 0.000 0.199 320 E C 1.446 178.047 176.600 0.000 0.000 1.011 320 E CA 2.029 58.430 56.400 0.002 0.000 0.815 320 E CB -0.000 29.701 29.700 0.003 0.000 0.755 320 E HN 0.594 nan 8.360 nan 0.000 0.451 321 N N -0.764 117.936 118.700 0.000 0.000 2.280 321 N HA 0.090 4.714 4.740 -0.194 0.000 0.192 321 N C 0.657 176.166 175.510 -0.002 0.000 1.109 321 N CA 0.698 53.747 53.050 -0.000 0.000 0.855 321 N CB 0.573 39.061 38.487 0.001 0.000 0.974 321 N HN 0.116 nan 8.380 nan 0.000 0.482 322 A N -0.003 122.815 122.820 -0.004 0.000 2.251 322 A HA 0.518 4.722 4.320 -0.194 0.000 0.209 322 A C 1.608 179.189 177.584 -0.005 0.000 1.187 322 A CA 0.150 52.184 52.037 -0.006 0.000 0.823 322 A CB -0.902 18.092 19.000 -0.010 0.000 0.846 322 A HN 0.544 nan 8.150 nan 0.000 0.486 323 G N -0.601 108.197 108.800 -0.003 0.000 2.198 323 G HA2 -0.218 3.626 3.960 -0.194 0.000 0.260 323 G HA3 -0.218 3.626 3.960 -0.194 0.000 0.260 323 G C -0.200 174.699 174.900 -0.001 0.000 1.025 323 G CA 0.273 45.372 45.100 -0.001 0.000 0.769 323 G HN 0.474 nan 8.290 nan 0.000 0.507 324 Q N 0.215 120.015 119.800 -0.000 0.000 2.340 324 Q HA 0.388 4.611 4.340 -0.194 0.000 0.259 324 Q C 0.396 176.401 176.000 0.007 0.000 0.964 324 Q CA -0.075 55.729 55.803 0.003 0.000 0.900 324 Q CB 1.319 30.057 28.738 -0.000 0.000 1.228 324 Q HN 0.526 nan 8.270 nan 0.000 0.449 325 K N 0.973 121.379 120.400 0.009 0.000 2.144 325 K HA 0.591 4.795 4.320 -0.194 0.000 0.270 325 K C -0.029 176.587 176.600 0.027 0.000 1.005 325 K CA -0.429 55.865 56.287 0.013 0.000 0.932 325 K CB 1.087 33.590 32.500 0.005 0.000 1.021 325 K HN 0.485 nan 8.250 nan 0.000 0.462 326 V N 1.381 121.317 119.914 0.037 0.000 2.347 326 V HA 0.415 4.419 4.120 -0.194 0.000 0.280 326 V C -0.204 175.916 176.094 0.043 0.000 1.021 326 V CA -0.363 61.983 62.300 0.077 0.000 0.847 326 V CB 1.082 32.967 31.823 0.103 0.000 0.990 326 V HN 0.764 nan 8.190 nan 0.000 0.444 327 S N 3.495 119.207 115.700 0.019 0.000 2.541 327 S HA 0.737 5.091 4.470 -0.194 0.000 0.271 327 S C 0.391 174.893 174.600 -0.164 0.000 1.133 327 S CA -0.586 57.572 58.200 -0.069 0.000 0.876 327 S CB 1.590 64.753 63.200 -0.060 0.000 1.105 327 S HN 0.552 nan 8.310 nan 0.000 0.470 328 L N 0.644 121.695 121.223 -0.287 0.000 2.044 328 L HA 0.104 4.328 4.340 -0.194 0.000 0.205 328 L C 1.811 178.530 176.870 -0.252 0.000 1.075 328 L CA 1.164 55.755 54.840 -0.415 0.000 0.747 328 L CB -0.404 41.332 42.059 -0.538 0.000 0.903 328 L HN 0.759 nan 8.230 nan 0.000 0.435 329 E N 0.436 120.519 120.200 -0.194 0.000 2.320 329 E HA 0.121 4.355 4.350 -0.194 0.000 0.189 329 E C 0.720 177.269 176.600 -0.085 0.000 1.100 329 E CA -0.156 56.164 56.400 -0.133 0.000 1.009 329 E CB 0.245 29.870 29.700 -0.125 0.000 1.145 329 E HN 0.450 nan 8.360 nan 0.000 0.454 330 G N 0.548 109.304 108.800 -0.073 0.000 3.008 330 G HA2 0.210 4.054 3.960 -0.194 0.000 0.181 330 G HA3 0.210 4.054 3.960 -0.194 0.000 0.181 330 G C -0.179 174.708 174.900 -0.021 0.000 1.309 330 G CA -0.568 44.508 45.100 -0.041 0.000 1.009 330 G HN 0.001 nan 8.290 nan 0.000 0.584 331 N N 0.894 119.590 118.700 -0.006 0.000 2.492 331 N HA 0.481 5.105 4.740 -0.194 0.000 0.289 331 N C -2.568 172.954 175.510 0.021 0.000 1.133 331 N CA -1.166 51.886 53.050 0.005 0.000 0.961 331 N CB 0.926 39.414 38.487 0.002 0.000 1.186 331 N HN 0.090 nan 8.380 nan 0.000 0.493 332 P HA 0.127 nan 4.420 nan 0.000 0.265 332 P C 0.029 177.348 177.300 0.031 0.000 1.193 332 P CA 0.113 63.236 63.100 0.039 0.000 0.765 332 P CB 0.471 32.189 31.700 0.031 0.000 0.823 333 I N 2.435 123.028 120.570 0.038 0.000 2.648 333 I HA 0.030 4.084 4.170 -0.194 0.000 0.284 333 I C 0.607 176.727 176.117 0.005 0.000 1.153 333 I CA 0.301 61.612 61.300 0.019 0.000 1.426 333 I CB 0.283 38.291 38.000 0.012 0.000 1.381 333 I HN 0.365 nan 8.210 nan 0.000 0.571 334 C N 8.140 127.438 119.300 -0.004 0.000 2.396 334 C HA 0.679 5.023 4.460 -0.194 0.000 0.321 334 C C -0.528 174.449 174.990 -0.022 0.000 1.233 334 C CA -0.533 58.478 59.018 -0.012 0.000 1.440 334 C CB 0.089 27.823 27.740 -0.009 0.000 2.110 334 C HN 0.704 nan 8.230 nan 0.000 0.473 335 L N 5.520 126.722 121.223 -0.035 0.000 2.386 335 L HA 0.557 4.781 4.340 -0.194 0.000 0.271 335 L C 0.594 177.428 176.870 -0.061 0.000 0.993 335 L CA -0.140 54.672 54.840 -0.046 0.000 0.819 335 L CB 2.436 44.461 42.059 -0.057 0.000 1.294 335 L HN 0.835 nan 8.230 nan 0.000 0.414 336 S N 0.933 116.600 115.700 -0.055 0.000 2.608 336 S HA 0.144 4.498 4.470 -0.194 0.000 0.261 336 S C 0.682 175.225 174.600 -0.095 0.000 1.314 336 S CA -0.582 57.582 58.200 -0.059 0.000 0.992 336 S CB 1.056 64.234 63.200 -0.037 0.000 0.935 336 S HN 0.628 nan 8.310 nan 0.000 0.564 337 Q N 0.374 120.120 119.800 -0.091 0.000 2.167 337 Q HA -0.054 4.169 4.340 -0.194 0.000 0.202 337 Q C 2.439 178.393 176.000 -0.076 0.000 0.970 337 Q CA 1.666 57.396 55.803 -0.121 0.000 0.855 337 Q CB -0.893 27.822 28.738 -0.039 0.000 0.911 337 Q HN 0.899 nan 8.270 nan 0.000 0.438 338 A N 1.031 123.827 122.820 -0.040 0.000 1.898 338 A HA -0.147 4.057 4.320 -0.194 0.000 0.214 338 A C 1.950 179.521 177.584 -0.023 0.000 1.183 338 A CA 1.076 53.103 52.037 -0.017 0.000 0.622 338 A CB -0.303 18.692 19.000 -0.008 0.000 0.824 338 A HN 0.327 nan 8.150 nan 0.000 0.444 339 E N -0.652 119.527 120.200 -0.034 0.000 2.077 339 E HA -0.187 4.047 4.350 -0.194 0.000 0.193 339 E C 1.852 178.429 176.600 -0.039 0.000 0.989 339 E CA 1.152 57.533 56.400 -0.031 0.000 0.800 339 E CB -0.198 29.481 29.700 -0.035 0.000 0.746 339 E HN 0.430 nan 8.360 nan 0.000 0.452 340 L N 1.418 122.595 121.223 -0.077 0.000 2.056 340 L HA -0.123 4.100 4.340 -0.194 0.000 0.207 340 L C 1.618 178.469 176.870 -0.032 0.000 1.078 340 L CA 1.569 56.352 54.840 -0.095 0.000 0.749 340 L CB -0.373 41.532 42.059 -0.257 0.000 0.901 340 L HN 0.036 nan 8.230 nan 0.000 0.433 341 N N -0.410 118.281 118.700 -0.014 0.000 2.188 341 N HA -0.145 4.479 4.740 -0.194 0.000 0.184 341 N C 0.538 176.067 175.510 0.032 0.000 1.018 341 N CA 1.004 54.083 53.050 0.047 0.000 0.858 341 N CB -0.363 38.162 38.487 0.062 0.000 0.989 341 N HN 0.291 nan 8.380 nan 0.000 0.426 342 D N 0.521 120.930 120.400 0.016 0.000 2.845 342 D HA 0.163 4.687 4.640 -0.194 0.000 0.235 342 D C -0.841 175.470 176.300 0.019 0.000 1.158 342 D CA 0.035 54.045 54.000 0.017 0.000 0.990 342 D CB -0.594 40.212 40.800 0.011 0.000 1.094 342 D HN 0.099 nan 8.370 nan 0.000 0.486 343 L N 2.474 123.713 121.223 0.027 0.000 2.529 343 L HA 0.326 4.550 4.340 -0.194 0.000 0.246 343 L C -1.708 175.188 176.870 0.043 0.000 1.394 343 L CA -1.480 53.380 54.840 0.033 0.000 0.906 343 L CB 1.823 43.900 42.059 0.031 0.000 1.170 343 L HN -0.001 nan 8.230 nan 0.000 0.501 344 P HA -0.098 nan 4.420 nan 0.000 0.217 344 P C 1.780 179.119 177.300 0.066 0.000 1.150 344 P CA 0.753 63.881 63.100 0.047 0.000 0.832 344 P CB 0.484 32.208 31.700 0.041 0.000 0.787 345 V N -0.080 119.886 119.914 0.086 0.000 2.261 345 V HA -0.224 3.779 4.120 -0.194 0.000 0.246 345 V C 2.526 178.705 176.094 0.141 0.000 1.047 345 V CA 1.642 64.025 62.300 0.139 0.000 1.015 345 V CB -1.248 30.671 31.823 0.160 0.000 0.642 345 V HN 0.060 nan 8.190 nan 0.000 0.446 346 L N -0.398 120.887 121.223 0.104 0.000 2.046 346 L HA -0.200 4.024 4.340 -0.194 0.000 0.208 346 L C 2.458 179.381 176.870 0.089 0.000 1.077 346 L CA 1.756 56.655 54.840 0.099 0.000 0.747 346 L CB -0.822 41.280 42.059 0.072 0.000 0.896 346 L HN 0.398 nan 8.230 nan 0.000 0.432 347 D N -0.691 119.746 120.400 0.061 0.000 2.149 347 D HA -0.189 4.334 4.640 -0.194 0.000 0.198 347 D C 2.325 178.618 176.300 -0.011 0.000 0.990 347 D CA 1.646 55.659 54.000 0.022 0.000 0.839 347 D CB 0.210 41.013 40.800 0.006 0.000 0.948 347 D HN 0.163 nan 8.370 nan 0.000 0.460 348 S N -0.214 115.508 115.700 0.037 0.000 2.371 348 S HA -0.045 4.309 4.470 -0.194 0.000 0.224 348 S C 2.196 176.846 174.600 0.083 0.000 1.029 348 S CA 0.280 58.514 58.200 0.057 0.000 0.978 348 S CB -0.082 63.160 63.200 0.071 0.000 0.833 348 S HN 0.160 nan 8.310 nan 0.000 0.466 349 I N 1.244 121.912 120.570 0.163 0.000 2.179 349 I HA -0.187 3.867 4.170 -0.194 0.000 0.242 349 I C 2.093 178.375 176.117 0.275 0.000 1.088 349 I CA 1.317 62.801 61.300 0.306 0.000 1.357 349 I CB -0.319 37.880 38.000 0.331 0.000 1.051 349 I HN 0.340 nan 8.210 nan 0.000 0.409 350 I N 0.459 121.122 120.570 0.156 0.000 2.202 350 I HA -0.286 3.767 4.170 -0.194 0.000 0.242 350 I C 2.468 178.633 176.117 0.080 0.000 1.091 350 I CA 1.450 62.827 61.300 0.128 0.000 1.368 350 I CB -0.400 37.662 38.000 0.102 0.000 1.058 350 I HN 0.128 nan 8.210 nan 0.000 0.410 351 K N 0.390 120.742 120.400 -0.079 0.000 2.063 351 K HA -0.252 3.952 4.320 -0.194 0.000 0.208 351 K C 2.075 178.595 176.600 -0.133 0.000 1.048 351 K CA 1.669 57.746 56.287 -0.350 0.000 0.928 351 K CB -0.146 31.595 32.500 -1.265 0.000 0.713 351 K HN 0.158 nan 8.250 nan 0.000 0.442 352 E N 0.764 120.981 120.200 0.029 0.000 2.152 352 E HA -0.082 4.152 4.350 -0.194 0.000 0.192 352 E C 1.704 178.445 176.600 0.235 0.000 0.983 352 E CA 1.343 57.813 56.400 0.116 0.000 0.818 352 E CB 0.048 29.646 29.700 -0.170 0.000 0.758 352 E HN 0.067 nan 8.360 nan 0.000 0.467 353 S N 0.110 116.028 115.700 0.363 0.000 2.368 353 S HA -0.077 4.277 4.470 -0.194 0.000 0.225 353 S C 1.812 176.440 174.600 0.047 0.000 1.030 353 S CA 1.161 59.520 58.200 0.263 0.000 0.999 353 S CB -0.226 63.136 63.200 0.270 0.000 0.844 353 S HN 0.292 nan 8.310 nan 0.000 0.459 354 L N 0.790 122.028 121.223 0.025 0.000 2.179 354 L HA 0.068 4.292 4.340 -0.194 0.000 0.208 354 L C 2.654 179.402 176.870 -0.204 0.000 1.096 354 L CA 0.710 55.492 54.840 -0.097 0.000 0.779 354 L CB -0.495 41.492 42.059 -0.119 0.000 0.922 354 L HN 0.224 nan 8.230 nan 0.000 0.443 355 R N 0.953 121.345 120.500 -0.180 0.000 2.119 355 R HA -0.197 4.026 4.340 -0.194 0.000 0.246 355 R C 2.187 178.350 176.300 -0.227 0.000 1.146 355 R CA 1.640 57.522 56.100 -0.364 0.000 0.962 355 R CB -0.195 29.943 30.300 -0.269 0.000 0.863 355 R HN 0.346 nan 8.270 nan 0.000 0.442 356 L N -0.315 120.810 121.223 -0.163 0.000 2.341 356 L HA -0.021 4.203 4.340 -0.194 0.000 0.214 356 L C 2.021 178.721 176.870 -0.284 0.000 1.115 356 L CA 1.065 55.798 54.840 -0.177 0.000 0.820 356 L CB 0.142 42.111 42.059 -0.150 0.000 0.944 356 L HN 0.295 nan 8.230 nan 0.000 0.452 357 S N -3.155 112.345 115.700 -0.333 0.000 2.526 357 S HA 0.069 4.423 4.470 -0.194 0.000 0.220 357 S C 0.924 175.436 174.600 -0.145 0.000 1.017 357 S CA -0.372 57.613 58.200 -0.358 0.000 0.930 357 S CB 0.203 63.038 63.200 -0.608 0.000 0.856 357 S HN 0.158 nan 8.310 nan 0.000 0.497 358 S N 1.582 117.206 115.700 -0.128 0.000 2.531 358 S HA 0.618 4.971 4.470 -0.194 0.000 0.279 358 S C 0.046 174.591 174.600 -0.091 0.000 1.305 358 S CA 0.040 58.177 58.200 -0.105 0.000 1.058 358 S CB 0.680 63.805 63.200 -0.126 0.000 0.899 358 S HN 0.771 nan 8.310 nan 0.000 0.493 359 A N 4.462 127.210 122.820 -0.119 0.000 3.365 359 A HA 0.510 4.714 4.320 -0.194 0.000 0.258 359 A C 0.046 177.514 177.584 -0.194 0.000 0.964 359 A CA -0.578 51.335 52.037 -0.206 0.000 0.988 359 A CB 0.206 19.208 19.000 0.002 0.000 1.193 359 A HN 0.632 nan 8.150 nan 0.000 0.508 360 S N 0.322 115.880 115.700 -0.237 0.000 2.565 360 S HA 0.489 4.842 4.470 -0.194 0.000 0.274 360 S C -0.008 174.519 174.600 -0.121 0.000 1.309 360 S CA -0.206 57.924 58.200 -0.117 0.000 1.043 360 S CB 1.002 64.137 63.200 -0.108 0.000 0.939 360 S HN 0.568 nan 8.310 nan 0.000 0.504 361 L N 3.749 125.023 121.223 0.085 0.000 2.255 361 L HA 0.287 4.511 4.340 -0.194 0.000 0.289 361 L C 0.251 177.122 176.870 0.003 0.000 1.046 361 L CA -0.370 54.555 54.840 0.141 0.000 0.816 361 L CB 0.535 42.714 42.059 0.201 0.000 1.197 361 L HN 0.606 nan 8.230 nan 0.000 0.427 362 N N 6.225 124.873 118.700 -0.087 0.000 2.420 362 N HA 0.350 4.973 4.740 -0.194 0.000 0.249 362 N C -0.964 174.425 175.510 -0.202 0.000 1.033 362 N CA -0.177 52.781 53.050 -0.153 0.000 0.944 362 N CB 0.843 39.189 38.487 -0.234 0.000 1.113 362 N HN 0.496 nan 8.380 nan 0.000 0.502 363 I N 3.276 123.746 120.570 -0.167 0.000 2.603 363 I HA 0.479 4.533 4.170 -0.194 0.000 0.300 363 I C 0.153 176.177 176.117 -0.156 0.000 1.017 363 I CA -0.882 60.284 61.300 -0.223 0.000 1.098 363 I CB 1.771 39.587 38.000 -0.307 0.000 1.279 363 I HN 0.460 nan 8.210 nan 0.000 0.437 364 R N 2.681 123.068 120.500 -0.188 0.000 2.739 364 R HA 0.584 4.808 4.340 -0.194 0.000 0.271 364 R C -1.807 174.480 176.300 -0.022 0.000 1.010 364 R CA -0.629 55.428 56.100 -0.072 0.000 0.897 364 R CB 1.376 31.590 30.300 -0.143 0.000 1.236 364 R HN 0.455 nan 8.270 nan 0.000 0.466 365 T N 0.968 115.582 114.554 0.100 0.000 2.824 365 T HA 0.561 4.795 4.350 -0.194 0.000 0.280 365 T C -0.104 174.741 174.700 0.242 0.000 0.995 365 T CA -0.336 61.852 62.100 0.146 0.000 1.009 365 T CB 1.442 70.403 68.868 0.155 0.000 0.955 365 T HN 0.673 nan 8.240 nan 0.000 0.452 366 A N 2.955 125.950 122.820 0.291 0.000 2.484 366 A HA 0.178 4.382 4.320 -0.194 0.000 0.268 366 A C 1.345 179.074 177.584 0.241 0.000 1.114 366 A CA -0.099 52.157 52.037 0.365 0.000 0.780 366 A CB -0.028 19.252 19.000 0.467 0.000 1.061 366 A HN 0.932 nan 8.150 nan 0.000 0.505 367 K N 0.985 121.496 120.400 0.186 0.000 2.283 367 K HA -0.083 4.120 4.320 -0.194 0.000 0.202 367 K C 0.434 177.122 176.600 0.146 0.000 1.048 367 K CA 1.687 58.053 56.287 0.132 0.000 0.948 367 K CB 0.035 32.581 32.500 0.077 0.000 0.742 367 K HN 0.978 nan 8.250 nan 0.000 0.458 368 E N -0.626 119.692 120.200 0.197 0.000 2.432 368 E HA 0.159 4.393 4.350 -0.194 0.000 0.279 368 E C -1.738 175.007 176.600 0.242 0.000 1.099 368 E CA -1.053 55.460 56.400 0.188 0.000 0.859 368 E CB 0.403 30.211 29.700 0.180 0.000 1.402 368 E HN -0.238 nan 8.360 nan 0.000 0.451 369 D N 0.810 121.303 120.400 0.156 0.000 2.488 369 D HA 0.349 4.873 4.640 -0.194 0.000 0.238 369 D C -0.572 175.798 176.300 0.116 0.000 1.138 369 D CA 0.983 55.045 54.000 0.103 0.000 0.873 369 D CB -0.005 40.814 40.800 0.032 0.000 1.183 369 D HN 0.447 nan 8.370 nan 0.000 0.458 370 F N -1.960 117.849 119.950 -0.234 0.000 2.807 370 F HA 0.454 4.864 4.527 -0.195 0.000 0.316 370 F C -1.240 174.360 175.800 -0.335 0.000 1.162 370 F CA -1.056 56.686 58.000 -0.429 0.000 0.910 370 F CB 1.026 39.441 39.000 -0.975 0.000 1.314 370 F HN -0.005 nan 8.300 nan 0.000 0.454 371 T N 3.364 117.677 114.554 -0.402 0.000 2.749 371 T HA 0.520 4.754 4.350 -0.194 0.000 0.287 371 T C -1.082 173.309 174.700 -0.514 0.000 0.970 371 T CA -0.341 61.452 62.100 -0.513 0.000 0.980 371 T CB 1.181 69.829 68.868 -0.367 0.000 0.924 371 T HN 0.666 nan 8.240 nan 0.000 0.456 372 L N 5.294 126.173 121.223 -0.574 0.000 2.265 372 L HA 0.324 4.548 4.340 -0.194 0.000 0.288 372 L C -0.366 176.376 176.870 -0.213 0.000 1.058 372 L CA -0.265 54.457 54.840 -0.197 0.000 0.809 372 L CB 0.132 42.120 42.059 -0.119 0.000 1.179 372 L HN 0.615 nan 8.230 nan 0.000 0.429 373 H N 7.018 126.159 119.070 0.118 0.000 2.597 373 H HA 0.427 4.866 4.556 -0.194 0.000 0.303 373 H C -0.550 174.849 175.328 0.118 0.000 1.057 373 H CA -0.313 55.790 56.048 0.092 0.000 1.261 373 H CB 0.918 30.725 29.762 0.075 0.000 1.397 373 H HN 0.551 nan 8.280 nan 0.000 0.461 374 L N 0.736 122.097 121.223 0.230 0.000 2.271 374 L HA 0.323 4.547 4.340 -0.194 0.000 0.265 374 L C 1.851 178.838 176.870 0.194 0.000 1.013 374 L CA -0.658 54.305 54.840 0.205 0.000 0.820 374 L CB 0.728 42.928 42.059 0.235 0.000 1.352 374 L HN 0.608 nan 8.230 nan 0.000 0.443 375 E N -0.096 120.213 120.200 0.182 0.000 2.130 375 E HA -0.226 4.008 4.350 -0.194 0.000 0.196 375 E C 1.240 177.938 176.600 0.164 0.000 0.998 375 E CA 2.112 58.611 56.400 0.165 0.000 0.806 375 E CB -0.720 29.074 29.700 0.157 0.000 0.738 375 E HN 0.798 nan 8.360 nan 0.000 0.459 376 D N -0.441 120.085 120.400 0.210 0.000 2.310 376 D HA 0.219 4.742 4.640 -0.194 0.000 0.212 376 D C 1.193 177.626 176.300 0.222 0.000 0.965 376 D CA 1.137 55.293 54.000 0.260 0.000 0.879 376 D CB 0.452 41.470 40.800 0.363 0.000 0.921 376 D HN 0.608 nan 8.370 nan 0.000 0.510 377 G N -0.428 108.459 108.800 0.144 0.000 2.302 377 G HA2 0.014 3.858 3.960 -0.194 0.000 0.276 377 G HA3 0.014 3.858 3.960 -0.194 0.000 0.276 377 G C -1.308 173.458 174.900 -0.222 0.000 1.316 377 G CA -0.623 44.422 45.100 -0.092 0.000 0.988 377 G HN 0.059 nan 8.290 nan 0.000 0.479 378 S N -0.494 114.881 115.700 -0.542 0.000 2.500 378 S HA 0.803 5.156 4.470 -0.194 0.000 0.301 378 S C -1.612 172.512 174.600 -0.793 0.000 1.092 378 S CA -0.353 57.557 58.200 -0.484 0.000 1.030 378 S CB 1.292 64.338 63.200 -0.257 0.000 1.031 378 S HN 0.577 nan 8.310 nan 0.000 0.483 379 Y N 1.182 121.321 120.300 -0.268 0.000 2.386 379 Y HA 0.396 4.831 4.550 -0.192 0.000 0.334 379 Y C 0.091 175.743 175.900 -0.413 0.000 1.002 379 Y CA -1.168 56.763 58.100 -0.281 0.000 1.068 379 Y CB 1.082 39.389 38.460 -0.255 0.000 1.203 379 Y HN 0.479 nan 8.280 nan 0.000 0.443 380 N N 3.823 122.386 118.700 -0.229 0.000 2.470 380 N HA 0.274 4.897 4.740 -0.194 0.000 0.268 380 N C -0.849 174.435 175.510 -0.377 0.000 1.136 380 N CA 0.122 52.985 53.050 -0.313 0.000 0.961 380 N CB 0.885 39.254 38.487 -0.196 0.000 1.067 380 N HN 0.445 nan 8.380 nan 0.000 0.468 381 I N 1.958 122.205 120.570 -0.538 0.000 2.474 381 I HA 0.363 4.417 4.170 -0.194 0.000 0.294 381 I C 0.771 176.768 176.117 -0.200 0.000 1.005 381 I CA -0.622 60.386 61.300 -0.486 0.000 1.113 381 I CB 1.616 39.169 38.000 -0.745 0.000 1.289 381 I HN 0.201 nan 8.210 nan 0.000 0.436 382 R N 2.755 123.250 120.500 -0.009 0.000 2.500 382 R HA 0.339 4.563 4.340 -0.194 0.000 0.277 382 R C 0.100 176.475 176.300 0.126 0.000 1.026 382 R CA -1.006 55.120 56.100 0.044 0.000 1.058 382 R CB 1.356 31.672 30.300 0.027 0.000 1.078 382 R HN 0.456 nan 8.270 nan 0.000 0.509 383 K N 1.680 122.153 120.400 0.123 0.000 2.530 383 K HA -0.222 3.982 4.320 -0.194 0.000 0.280 383 K C -0.410 176.274 176.600 0.140 0.000 1.004 383 K CA 0.936 57.310 56.287 0.145 0.000 1.071 383 K CB 0.196 32.762 32.500 0.110 0.000 0.876 383 K HN 0.616 nan 8.250 nan 0.000 0.487 384 D N 1.293 121.789 120.400 0.159 0.000 2.946 384 D HA -0.172 4.352 4.640 -0.194 0.000 0.202 384 D C -0.676 175.720 176.300 0.159 0.000 1.068 384 D CA 1.223 55.314 54.000 0.151 0.000 1.011 384 D CB -0.675 40.203 40.800 0.130 0.000 1.105 384 D HN 0.642 nan 8.370 nan 0.000 0.425 385 D N 0.185 120.693 120.400 0.179 0.000 2.382 385 D HA 0.334 4.858 4.640 -0.194 0.000 0.240 385 D C 1.063 177.448 176.300 0.142 0.000 1.146 385 D CA 0.128 54.236 54.000 0.179 0.000 0.897 385 D CB 0.709 41.689 40.800 0.299 0.000 1.197 385 D HN 0.214 nan 8.370 nan 0.000 0.432 386 I N 1.263 121.850 120.570 0.028 0.000 2.437 386 I HA 0.309 4.363 4.170 -0.194 0.000 0.298 386 I C -0.012 176.063 176.117 -0.070 0.000 0.984 386 I CA -0.693 60.558 61.300 -0.081 0.000 1.214 386 I CB 1.212 39.053 38.000 -0.265 0.000 1.365 386 I HN 0.059 nan 8.210 nan 0.000 0.469 387 I N 5.289 125.794 120.570 -0.107 0.000 2.362 387 I HA 0.555 4.609 4.170 -0.194 0.000 0.289 387 I C -0.149 175.778 176.117 -0.317 0.000 0.994 387 I CA -0.209 60.998 61.300 -0.156 0.000 1.158 387 I CB 1.623 39.565 38.000 -0.096 0.000 1.315 387 I HN 0.578 nan 8.210 nan 0.000 0.451 388 A N 7.572 130.143 122.820 -0.415 0.000 2.386 388 A HA 0.897 5.101 4.320 -0.194 0.000 0.311 388 A C -0.974 176.394 177.584 -0.360 0.000 1.068 388 A CA -0.536 51.216 52.037 -0.475 0.000 0.743 388 A CB 1.261 19.780 19.000 -0.802 0.000 1.258 388 A HN 0.652 nan 8.150 nan 0.000 0.429 389 L N 0.941 121.989 121.223 -0.292 0.000 2.334 389 L HA 0.462 4.685 4.340 -0.194 0.000 0.273 389 L C -1.150 175.717 176.870 -0.004 0.000 1.013 389 L CA -0.646 54.036 54.840 -0.263 0.000 0.816 389 L CB 1.803 43.498 42.059 -0.607 0.000 1.278 389 L HN 0.797 nan 8.230 nan 0.000 0.431 390 Y N 3.242 123.539 120.300 -0.004 0.000 2.863 390 Y HA 0.352 4.793 4.550 -0.181 0.000 0.348 390 Y C -2.021 173.895 175.900 0.026 0.000 1.028 390 Y CA -2.084 56.056 58.100 0.067 0.000 1.213 390 Y CB 1.067 39.646 38.460 0.198 0.000 1.120 390 Y HN 0.366 nan 8.280 nan 0.000 0.598 391 P HA -0.201 nan 4.420 nan 0.000 0.223 391 P C 1.446 178.504 177.300 -0.403 0.000 1.144 391 P CA 1.232 64.191 63.100 -0.236 0.000 0.783 391 P CB 0.260 31.732 31.700 -0.380 0.000 0.771 392 Q N -0.144 119.440 119.800 -0.360 0.000 2.197 392 Q HA -0.189 4.035 4.340 -0.194 0.000 0.207 392 Q C 1.853 177.887 176.000 0.056 0.000 0.984 392 Q CA 1.264 56.989 55.803 -0.130 0.000 0.869 392 Q CB -0.632 28.034 28.738 -0.120 0.000 0.906 392 Q HN 0.243 nan 8.270 nan 0.000 0.426 393 L N -0.010 121.299 121.223 0.144 0.000 2.042 393 L HA -0.233 3.991 4.340 -0.194 0.000 0.210 393 L C 2.672 179.637 176.870 0.158 0.000 1.076 393 L CA 1.556 56.516 54.840 0.199 0.000 0.749 393 L CB -0.431 41.790 42.059 0.271 0.000 0.893 393 L HN 0.455 nan 8.230 nan 0.000 0.432 394 M N -1.076 118.594 119.600 0.117 0.000 2.193 394 M HA -0.172 4.191 4.480 -0.194 0.000 0.265 394 M C 2.197 178.663 176.300 0.277 0.000 1.071 394 M CA 1.644 57.008 55.300 0.107 0.000 1.140 394 M CB -0.278 32.324 32.600 0.003 0.000 1.369 394 M HN 0.235 nan 8.290 nan 0.000 0.423 395 H N 0.301 119.500 119.070 0.215 0.000 2.422 395 H HA -0.071 4.363 4.556 -0.203 0.000 0.298 395 H C 1.354 176.752 175.328 0.117 0.000 1.098 395 H CA 1.213 57.356 56.048 0.159 0.000 1.315 395 H CB -0.005 29.758 29.762 0.002 0.000 1.382 395 H HN 0.385 nan 8.280 nan 0.000 0.523 396 L N 0.761 122.138 121.223 0.256 0.000 2.700 396 L HA 0.069 4.293 4.340 -0.194 0.000 0.234 396 L C 0.166 177.154 176.870 0.196 0.000 1.156 396 L CA -0.291 54.656 54.840 0.179 0.000 0.946 396 L CB 0.237 42.373 42.059 0.129 0.000 1.216 396 L HN 0.172 nan 8.230 nan 0.000 0.493 397 D N 2.155 122.704 120.400 0.248 0.000 2.343 397 D HA 0.082 4.606 4.640 -0.194 0.000 0.255 397 D C -1.423 174.984 176.300 0.178 0.000 1.187 397 D CA -1.866 52.244 54.000 0.183 0.000 0.875 397 D CB 1.748 42.637 40.800 0.149 0.000 1.136 397 D HN -0.035 nan 8.370 nan 0.000 0.469 398 P HA -0.079 nan 4.420 nan 0.000 0.226 398 P C 0.958 178.307 177.300 0.081 0.000 1.153 398 P CA 0.861 64.027 63.100 0.111 0.000 0.777 398 P CB 0.217 31.967 31.700 0.083 0.000 0.794 399 E N 0.685 120.925 120.200 0.066 0.000 2.150 399 E HA -0.111 4.123 4.350 -0.194 0.000 0.193 399 E C 1.944 178.553 176.600 0.015 0.000 0.985 399 E CA 1.189 57.613 56.400 0.039 0.000 0.814 399 E CB -1.208 28.516 29.700 0.039 0.000 0.752 399 E HN 0.327 nan 8.360 nan 0.000 0.466 400 I N -2.307 118.254 120.570 -0.015 0.000 2.927 400 I HA 0.109 4.163 4.170 -0.194 0.000 0.268 400 I C 0.160 176.097 176.117 -0.299 0.000 1.153 400 I CA 0.319 61.512 61.300 -0.179 0.000 1.459 400 I CB 0.567 38.390 38.000 -0.294 0.000 1.149 400 I HN 0.179 nan 8.210 nan 0.000 0.443 401 Y N 1.372 121.729 120.300 0.095 0.000 2.705 401 Y HA 0.395 4.831 4.550 -0.190 0.000 0.355 401 Y C -2.514 173.412 175.900 0.044 0.000 1.039 401 Y CA -3.432 54.706 58.100 0.064 0.000 1.233 401 Y CB 0.125 38.606 38.460 0.036 0.000 1.103 401 Y HN -0.136 nan 8.280 nan 0.000 0.624 402 P HA -0.066 nan 4.420 nan 0.000 0.261 402 P C -0.244 177.109 177.300 0.088 0.000 1.173 402 P CA 0.975 64.129 63.100 0.090 0.000 0.760 402 P CB 0.400 32.131 31.700 0.052 0.000 0.783 403 D N 2.744 123.189 120.400 0.075 0.000 2.760 403 D HA -0.121 4.402 4.640 -0.194 0.000 0.244 403 D C -1.461 174.882 176.300 0.072 0.000 1.123 403 D CA 0.080 54.119 54.000 0.064 0.000 0.719 403 D CB -0.874 39.955 40.800 0.049 0.000 1.045 403 D HN 0.352 nan 8.370 nan 0.000 0.426 404 P HA -0.122 nan 4.420 nan 0.000 0.222 404 P C 1.686 179.017 177.300 0.052 0.000 1.147 404 P CA 0.648 63.802 63.100 0.090 0.000 0.790 404 P CB 0.223 31.997 31.700 0.123 0.000 0.780 405 L N -1.255 120.003 121.223 0.058 0.000 2.592 405 L HA 0.145 4.369 4.340 -0.194 0.000 0.227 405 L C 0.548 177.461 176.870 0.073 0.000 1.127 405 L CA 0.249 55.122 54.840 0.056 0.000 0.884 405 L CB -0.569 41.524 42.059 0.057 0.000 1.065 405 L HN -0.144 nan 8.230 nan 0.000 0.457 406 T N 0.131 114.730 114.554 0.075 0.000 2.837 406 T HA 0.229 4.463 4.350 -0.194 0.000 0.285 406 T C -0.566 174.208 174.700 0.123 0.000 0.984 406 T CA -0.294 61.867 62.100 0.102 0.000 1.049 406 T CB 1.397 70.312 68.868 0.077 0.000 0.947 406 T HN -0.053 nan 8.240 nan 0.000 0.472 407 F N 3.931 123.897 119.950 0.026 0.000 2.438 407 F HA 0.332 4.739 4.527 -0.200 0.000 0.360 407 F C 0.329 176.161 175.800 0.055 0.000 1.118 407 F CA -0.543 57.475 58.000 0.031 0.000 1.164 407 F CB 0.110 39.135 39.000 0.041 0.000 1.131 407 F HN 0.328 nan 8.300 nan 0.000 0.527 408 K N 7.668 127.838 120.400 -0.383 0.000 2.334 408 K HA 0.061 4.265 4.320 -0.194 0.000 0.265 408 K C 0.291 176.523 176.600 -0.613 0.000 1.039 408 K CA -0.651 55.435 56.287 -0.335 0.000 0.920 408 K CB 0.667 33.048 32.500 -0.198 0.000 1.160 408 K HN 0.805 nan 8.250 nan 0.000 0.451 409 Y N 1.997 121.950 120.300 -0.578 0.000 2.333 409 Y HA -0.181 4.251 4.550 -0.196 0.000 0.290 409 Y C 1.046 176.836 175.900 -0.183 0.000 1.144 409 Y CA 1.316 59.152 58.100 -0.440 0.000 1.228 409 Y CB -0.135 38.322 38.460 -0.005 0.000 0.985 409 Y HN 0.503 nan 8.280 nan 0.000 0.542 410 D N 0.325 120.039 120.400 -1.144 0.000 2.395 410 D HA 0.017 4.541 4.640 -0.194 0.000 0.226 410 D C 1.699 177.770 176.300 -0.380 0.000 1.146 410 D CA -0.174 53.340 54.000 -0.811 0.000 0.830 410 D CB -0.513 39.750 40.800 -0.894 0.000 0.958 410 D HN 0.461 nan 8.370 nan 0.000 0.501 411 R N -0.315 119.993 120.500 -0.319 0.000 2.148 411 R HA -0.095 4.128 4.340 -0.194 0.000 0.227 411 R C 0.311 176.438 176.300 -0.288 0.000 1.103 411 R CA 0.899 56.830 56.100 -0.282 0.000 0.983 411 R CB -0.018 30.071 30.300 -0.351 0.000 0.874 411 R HN 0.208 nan 8.270 nan 0.000 0.451 412 Y N -0.056 120.228 120.300 -0.026 0.000 2.708 412 Y HA 0.305 4.745 4.550 -0.184 0.000 0.287 412 Y C -0.318 175.582 175.900 0.000 0.000 1.145 412 Y CA -0.343 57.797 58.100 0.068 0.000 1.249 412 Y CB 0.571 39.018 38.460 -0.023 0.000 1.152 412 Y HN -0.101 nan 8.280 nan 0.000 0.532 413 L N 1.034 122.271 121.223 0.022 0.000 2.331 413 L HA 0.382 4.606 4.340 -0.194 0.000 0.275 413 L C -0.312 176.524 176.870 -0.057 0.000 1.022 413 L CA -1.040 53.786 54.840 -0.023 0.000 0.812 413 L CB 1.436 43.446 42.059 -0.082 0.000 1.257 413 L HN 0.181 nan 8.230 nan 0.000 0.435 414 D N 0.754 121.125 120.400 -0.047 0.000 2.549 414 D HA 0.270 4.794 4.640 -0.194 0.000 0.270 414 D C 0.950 177.214 176.300 -0.059 0.000 1.181 414 D CA 0.050 54.008 54.000 -0.070 0.000 1.070 414 D CB 0.446 41.206 40.800 -0.066 0.000 1.154 414 D HN 0.521 nan 8.370 nan 0.000 0.602 415 E N -0.118 120.047 120.200 -0.058 0.000 2.097 415 E HA -0.259 3.975 4.350 -0.194 0.000 0.196 415 E C 1.481 178.065 176.600 -0.028 0.000 1.000 415 E CA 1.783 58.157 56.400 -0.043 0.000 0.804 415 E CB -1.089 28.586 29.700 -0.042 0.000 0.740 415 E HN 0.523 nan 8.360 nan 0.000 0.454 416 N N -0.477 118.208 118.700 -0.025 0.000 2.515 416 N HA 0.099 4.723 4.740 -0.194 0.000 0.185 416 N C 1.384 176.891 175.510 -0.005 0.000 1.109 416 N CA 1.034 54.076 53.050 -0.013 0.000 0.903 416 N CB 0.695 39.175 38.487 -0.012 0.000 0.969 416 N HN 0.698 nan 8.380 nan 0.000 0.450 417 G N 0.083 108.878 108.800 -0.009 0.000 2.137 417 G HA2 -0.276 3.568 3.960 -0.194 0.000 0.237 417 G HA3 -0.276 3.568 3.960 -0.194 0.000 0.237 417 G C 0.078 174.985 174.900 0.010 0.000 1.002 417 G CA 0.341 45.443 45.100 0.003 0.000 0.702 417 G HN 0.280 nan 8.290 nan 0.000 0.515 418 K N -0.661 119.743 120.400 0.006 0.000 2.306 418 K HA 0.768 4.971 4.320 -0.194 0.000 0.236 418 K C 0.640 177.255 176.600 0.024 0.000 1.013 418 K CA -0.147 56.150 56.287 0.016 0.000 0.857 418 K CB 1.295 33.802 32.500 0.011 0.000 1.214 418 K HN 0.356 nan 8.250 nan 0.000 0.449 419 T N 2.433 117.011 114.554 0.040 0.000 2.867 419 T HA 0.079 4.313 4.350 -0.194 0.000 0.297 419 T C 0.196 174.946 174.700 0.083 0.000 0.989 419 T CA 0.423 62.567 62.100 0.074 0.000 1.159 419 T CB 0.038 68.948 68.868 0.071 0.000 0.928 419 T HN 0.398 nan 8.240 nan 0.000 0.538 420 K N 2.290 122.768 120.400 0.130 0.000 2.201 420 K HA 0.298 4.502 4.320 -0.194 0.000 0.278 420 K C 0.784 177.511 176.600 0.211 0.000 1.027 420 K CA -0.477 55.852 56.287 0.071 0.000 0.909 420 K CB 0.549 33.039 32.500 -0.016 0.000 1.062 420 K HN 0.690 nan 8.250 nan 0.000 0.465 421 T N -0.784 113.794 114.554 0.040 0.000 3.231 421 T HA 0.079 4.312 4.350 -0.194 0.000 0.292 421 T C -0.218 174.323 174.700 -0.264 0.000 1.001 421 T CA -0.435 61.721 62.100 0.093 0.000 0.920 421 T CB -0.114 68.841 68.868 0.144 0.000 1.140 421 T HN 0.542 nan 8.240 nan 0.000 0.525 422 T N 0.228 114.427 114.554 -0.592 0.000 2.809 422 T HA 0.755 4.989 4.350 -0.194 0.000 0.296 422 T C -1.042 172.916 174.700 -1.236 0.000 1.015 422 T CA -0.673 60.969 62.100 -0.762 0.000 0.954 422 T CB 0.368 68.933 68.868 -0.505 0.000 0.950 422 T HN 0.155 nan 8.240 nan 0.000 0.450 423 F N 1.934 121.363 119.950 -0.869 0.000 2.578 423 F HA 0.656 5.071 4.527 -0.186 0.000 0.311 423 F C -0.834 174.566 175.800 -0.666 0.000 1.094 423 F CA -1.203 56.399 58.000 -0.664 0.000 0.923 423 F CB 2.056 40.649 39.000 -0.679 0.000 1.230 423 F HN 0.546 nan 8.300 nan 0.000 0.450 424 Y N 0.460 120.706 120.300 -0.090 0.000 2.536 424 Y HA 0.618 5.053 4.550 -0.192 0.000 0.347 424 Y C -0.587 175.273 175.900 -0.066 0.000 1.000 424 Y CA -1.143 56.910 58.100 -0.078 0.000 1.051 424 Y CB 2.158 40.561 38.460 -0.095 0.000 1.259 424 Y HN 0.664 nan 8.280 nan 0.000 0.468 425 C N 3.677 123.043 119.300 0.110 0.000 2.432 425 C HA 0.467 4.811 4.460 -0.194 0.000 0.334 425 C C -0.774 174.248 174.990 0.054 0.000 1.155 425 C CA -0.928 58.121 59.018 0.051 0.000 1.335 425 C CB -1.120 26.623 27.740 0.006 0.000 1.964 425 C HN 1.005 nan 8.230 nan 0.000 0.444 426 N N 3.662 122.386 118.700 0.041 0.000 2.740 426 N HA -0.170 4.454 4.740 -0.194 0.000 0.248 426 N C 0.962 176.491 175.510 0.030 0.000 1.062 426 N CA 2.116 55.184 53.050 0.031 0.000 0.704 426 N CB -1.407 37.101 38.487 0.035 0.000 0.968 426 N HN 1.903 nan 8.380 nan 0.000 0.547 427 G N -1.767 107.048 108.800 0.025 0.000 2.196 427 G HA2 -0.348 3.496 3.960 -0.194 0.000 0.268 427 G HA3 -0.348 3.496 3.960 -0.194 0.000 0.268 427 G C 0.097 175.068 174.900 0.117 0.000 0.975 427 G CA 0.785 45.888 45.100 0.005 0.000 0.648 427 G HN 0.483 nan 8.290 nan 0.000 0.538 428 L N 0.479 121.784 121.223 0.136 0.000 2.289 428 L HA 0.406 4.630 4.340 -0.194 0.000 0.285 428 L C 0.927 177.874 176.870 0.129 0.000 1.049 428 L CA -0.737 54.177 54.840 0.123 0.000 0.804 428 L CB 1.411 43.504 42.059 0.056 0.000 1.195 428 L HN 0.096 nan 8.230 nan 0.000 0.428 429 K N 4.154 124.589 120.400 0.059 0.000 2.379 429 K HA 0.282 4.485 4.320 -0.194 0.000 0.284 429 K C -0.774 175.745 176.600 -0.134 0.000 1.044 429 K CA -0.372 55.784 56.287 -0.218 0.000 0.974 429 K CB 0.486 32.838 32.500 -0.247 0.000 0.962 429 K HN 0.509 nan 8.250 nan 0.000 0.474 430 L N 5.141 126.282 121.223 -0.136 0.000 2.305 430 L HA 0.143 4.367 4.340 -0.194 0.000 0.281 430 L C 1.526 178.438 176.870 0.070 0.000 1.085 430 L CA -0.124 54.729 54.840 0.021 0.000 0.813 430 L CB 1.202 43.338 42.059 0.127 0.000 1.157 430 L HN 0.769 nan 8.230 nan 0.000 0.436 431 K N 2.847 123.231 120.400 -0.027 0.000 2.062 431 K HA -0.049 4.154 4.320 -0.194 0.000 0.205 431 K C -0.269 176.147 176.600 -0.306 0.000 1.051 431 K CA 1.052 57.197 56.287 -0.237 0.000 0.941 431 K CB 0.199 32.386 32.500 -0.520 0.000 0.719 431 K HN 0.462 nan 8.250 nan 0.000 0.440 432 Y N 0.718 121.137 120.300 0.198 0.000 2.402 432 Y HA 0.160 4.592 4.550 -0.196 0.000 0.332 432 Y C -0.223 175.788 175.900 0.185 0.000 0.960 432 Y CA -1.099 57.078 58.100 0.129 0.000 1.228 432 Y CB 0.892 39.465 38.460 0.188 0.000 1.120 432 Y HN 0.111 nan 8.280 nan 0.000 0.491 433 Y N -0.164 120.315 120.300 0.299 0.000 2.437 433 Y HA 0.358 4.796 4.550 -0.187 0.000 0.266 433 Y C -0.912 175.267 175.900 0.465 0.000 1.077 433 Y CA -1.029 57.234 58.100 0.273 0.000 1.235 433 Y CB 0.459 39.004 38.460 0.140 0.000 1.303 433 Y HN 0.373 nan 8.280 nan 0.000 0.536 434 Y N 2.068 122.261 120.300 -0.179 0.000 2.373 434 Y HA 0.609 5.049 4.550 -0.183 0.000 0.327 434 Y C -0.678 175.250 175.900 0.048 0.000 1.036 434 Y CA -1.732 56.361 58.100 -0.011 0.000 1.265 434 Y CB 1.416 39.750 38.460 -0.210 0.000 1.108 434 Y HN 0.187 nan 8.280 nan 0.000 0.471 435 M N 8.118 127.692 119.600 -0.043 0.000 2.809 435 M HA 0.221 4.585 4.480 -0.194 0.000 0.388 435 M C -1.769 174.398 176.300 -0.222 0.000 1.248 435 M CA -1.053 54.178 55.300 -0.115 0.000 0.885 435 M CB 0.839 33.424 32.600 -0.025 0.000 1.386 435 M HN 0.390 nan 8.290 nan 0.000 0.509 436 P HA -0.041 nan 4.420 nan 0.000 0.226 436 P C 0.612 177.574 177.300 -0.564 0.000 1.153 436 P CA 1.170 63.960 63.100 -0.516 0.000 0.777 436 P CB -0.061 31.175 31.700 -0.773 0.000 0.794 437 F N -0.250 119.563 119.950 -0.228 0.000 2.727 437 F HA 0.388 4.840 4.527 -0.124 0.000 0.302 437 F C 1.764 177.489 175.800 -0.126 0.000 1.097 437 F CA 0.582 58.495 58.000 -0.145 0.000 1.330 437 F CB -0.147 38.781 39.000 -0.120 0.000 1.084 437 F HN 0.045 nan 8.300 nan 0.000 0.578 438 G N 0.314 109.101 108.800 -0.022 0.000 2.615 438 G HA2 -0.001 3.843 3.960 -0.194 0.000 0.218 438 G HA3 -0.001 3.843 3.960 -0.194 0.000 0.218 438 G C -0.436 174.436 174.900 -0.046 0.000 1.339 438 G CA -0.437 44.625 45.100 -0.063 0.000 0.884 438 G HN 0.295 nan 8.290 nan 0.000 0.559 439 S N -1.435 114.207 115.700 -0.097 0.000 2.611 439 S HA 0.841 5.195 4.470 -0.194 0.000 0.268 439 S C 0.775 175.285 174.600 -0.150 0.000 1.156 439 S CA 1.114 59.270 58.200 -0.073 0.000 0.817 439 S CB 1.010 64.181 63.200 -0.048 0.000 1.122 439 S HN 2.929 nan 8.310 nan 0.000 0.466 440 G N 1.635 110.374 108.800 -0.102 0.000 2.527 440 G HA2 -0.024 3.819 3.960 -0.194 0.000 0.268 440 G HA3 -0.024 3.819 3.960 -0.194 0.000 0.268 440 G C 0.953 175.669 174.900 -0.306 0.000 1.175 440 G CA 0.373 45.360 45.100 -0.188 0.000 0.962 440 G HN 1.655 nan 8.290 nan 0.000 0.560 441 A N -0.890 121.567 122.820 -0.606 0.000 2.081 441 A HA 0.604 4.808 4.320 -0.194 0.000 0.214 441 A C 2.051 179.219 177.584 -0.694 0.000 1.158 441 A CA 2.428 53.906 52.037 -0.932 0.000 0.724 441 A CB -0.682 16.995 19.000 -2.206 0.000 0.826 441 A HN 2.463 nan 8.150 nan 0.000 0.463 442 T N 0.409 114.663 114.554 -0.501 0.000 3.945 442 T HA 0.591 4.825 4.350 -0.194 0.000 0.306 442 T C -0.225 174.391 174.700 -0.140 0.000 1.475 442 T CA -0.033 61.954 62.100 -0.190 0.000 1.177 442 T CB -0.709 68.083 68.868 -0.126 0.000 1.272 442 T HN 0.348 nan 8.240 nan 0.000 0.930 443 I N 1.175 121.687 120.570 -0.098 0.000 2.619 443 I HA 0.384 4.438 4.170 -0.194 0.000 0.292 443 I C 0.021 176.137 176.117 -0.001 0.000 1.100 443 I CA -1.201 60.074 61.300 -0.042 0.000 1.043 443 I CB 1.604 39.575 38.000 -0.048 0.000 1.239 443 I HN 0.415 nan 8.210 nan 0.000 0.420 444 C N 9.839 129.164 119.300 0.042 0.000 2.519 444 C HA 0.121 4.465 4.460 -0.194 0.000 0.402 444 C C -0.893 174.093 174.990 -0.007 0.000 1.475 444 C CA -0.845 58.200 59.018 0.045 0.000 1.504 444 C CB -0.101 27.747 27.740 0.179 0.000 2.454 444 C HN 0.640 nan 8.230 nan 0.000 0.615 445 P HA 0.056 nan 4.420 nan 0.000 0.225 445 P C 1.188 178.466 177.300 -0.037 0.000 1.156 445 P CA 1.655 64.756 63.100 0.002 0.000 0.787 445 P CB -0.057 31.690 31.700 0.078 0.000 0.802 446 G N 0.878 109.646 108.800 -0.054 0.000 3.088 446 G HA2 -0.081 3.762 3.960 -0.194 0.000 0.212 446 G HA3 -0.081 3.762 3.960 -0.194 0.000 0.212 446 G C 1.603 176.461 174.900 -0.070 0.000 1.173 446 G CA -0.173 44.914 45.100 -0.021 0.000 0.779 446 G HN 0.321 nan 8.290 nan 0.000 0.540 447 R N -0.048 120.319 120.500 -0.221 0.000 2.091 447 R HA 0.003 4.226 4.340 -0.194 0.000 0.238 447 R C 1.896 177.862 176.300 -0.558 0.000 1.136 447 R CA 1.071 56.793 56.100 -0.631 0.000 0.959 447 R CB -0.659 28.982 30.300 -1.099 0.000 0.856 447 R HN 0.361 nan 8.270 nan 0.000 0.437 448 L N -0.023 120.968 121.223 -0.386 0.000 2.027 448 L HA -0.105 4.119 4.340 -0.194 0.000 0.206 448 L C 2.657 179.186 176.870 -0.568 0.000 1.074 448 L CA 1.269 55.844 54.840 -0.441 0.000 0.745 448 L CB -0.627 41.243 42.059 -0.314 0.000 0.898 448 L HN 0.091 nan 8.230 nan 0.000 0.433 449 F N 1.197 120.900 119.950 -0.412 0.000 2.126 449 F HA -0.265 4.143 4.527 -0.198 0.000 0.299 449 F C 2.430 178.126 175.800 -0.174 0.000 1.096 449 F CA 1.143 58.988 58.000 -0.259 0.000 1.255 449 F CB -0.484 38.432 39.000 -0.140 0.000 0.997 449 F HN 0.010 nan 8.300 nan 0.000 0.479 450 A N 1.008 123.643 122.820 -0.309 0.000 1.883 450 A HA -0.189 4.015 4.320 -0.194 0.000 0.217 450 A C 2.261 179.721 177.584 -0.206 0.000 1.186 450 A CA 2.021 53.903 52.037 -0.258 0.000 0.624 450 A CB -1.100 17.911 19.000 0.019 0.000 0.822 450 A HN 0.405 nan 8.150 nan 0.000 0.444 451 I N -0.244 120.220 120.570 -0.177 0.000 2.226 451 I HA -0.242 3.812 4.170 -0.194 0.000 0.245 451 I C 2.255 178.355 176.117 -0.027 0.000 1.100 451 I CA 1.775 63.031 61.300 -0.074 0.000 1.374 451 I CB -1.969 35.978 38.000 -0.088 0.000 1.057 451 I HN 0.515 nan 8.210 nan 0.000 0.413 452 H N 0.918 119.902 119.070 -0.143 0.000 2.319 452 H HA -0.198 4.246 4.556 -0.187 0.000 0.299 452 H C 2.224 177.444 175.328 -0.181 0.000 1.092 452 H CA 1.459 57.430 56.048 -0.129 0.000 1.302 452 H CB 0.064 29.776 29.762 -0.085 0.000 1.373 452 H HN 0.519 nan 8.280 nan 0.000 0.497 453 E N 1.195 121.246 120.200 -0.247 0.000 2.106 453 E HA -0.146 4.088 4.350 -0.194 0.000 0.192 453 E C 2.009 178.553 176.600 -0.093 0.000 0.984 453 E CA 1.301 57.536 56.400 -0.274 0.000 0.806 453 E CB -0.253 29.097 29.700 -0.585 0.000 0.750 453 E HN 0.512 nan 8.360 nan 0.000 0.458 454 I N 1.273 121.797 120.570 -0.077 0.000 2.252 454 I HA -0.204 3.849 4.170 -0.194 0.000 0.245 454 I C 2.531 178.709 176.117 0.102 0.000 1.102 454 I CA 1.187 62.497 61.300 0.018 0.000 1.385 454 I CB -0.200 37.806 38.000 0.010 0.000 1.064 454 I HN 0.033 nan 8.210 nan 0.000 0.414 455 K N 0.582 121.022 120.400 0.066 0.000 2.032 455 K HA -0.250 3.954 4.320 -0.194 0.000 0.209 455 K C 2.195 178.823 176.600 0.046 0.000 1.048 455 K CA 1.657 57.982 56.287 0.063 0.000 0.927 455 K CB -0.211 32.323 32.500 0.056 0.000 0.712 455 K HN 0.370 nan 8.250 nan 0.000 0.441 456 Q N -0.227 119.595 119.800 0.037 0.000 2.061 456 Q HA -0.193 4.030 4.340 -0.194 0.000 0.204 456 Q C 2.004 178.021 176.000 0.029 0.000 0.984 456 Q CA 1.758 57.569 55.803 0.013 0.000 0.846 456 Q CB -0.247 28.498 28.738 0.012 0.000 0.902 456 Q HN 0.283 nan 8.270 nan 0.000 0.421 457 F N 1.177 121.093 119.950 -0.057 0.000 2.095 457 F HA -0.221 4.200 4.527 -0.177 0.000 0.298 457 F C 1.761 177.547 175.800 -0.023 0.000 1.104 457 F CA 1.357 59.334 58.000 -0.039 0.000 1.232 457 F CB -0.134 38.845 39.000 -0.035 0.000 0.987 457 F HN -0.033 nan 8.300 nan 0.000 0.475 458 L N -0.106 121.153 121.223 0.060 0.000 2.046 458 L HA -0.231 3.992 4.340 -0.194 0.000 0.208 458 L C 2.503 179.305 176.870 -0.114 0.000 1.077 458 L CA 1.415 56.232 54.840 -0.038 0.000 0.747 458 L CB -0.751 41.355 42.059 0.078 0.000 0.896 458 L HN 0.215 nan 8.230 nan 0.000 0.432 459 I N -0.148 120.367 120.570 -0.090 0.000 2.163 459 I HA -0.345 3.708 4.170 -0.194 0.000 0.243 459 I C 2.430 178.419 176.117 -0.214 0.000 1.085 459 I CA 1.532 62.764 61.300 -0.113 0.000 1.347 459 I CB -0.215 37.732 38.000 -0.088 0.000 1.044 459 I HN 0.208 nan 8.210 nan 0.000 0.408 460 L N -0.786 120.243 121.223 -0.325 0.000 2.093 460 L HA -0.196 4.028 4.340 -0.194 0.000 0.208 460 L C 2.639 179.198 176.870 -0.517 0.000 1.085 460 L CA 0.851 55.332 54.840 -0.598 0.000 0.755 460 L CB -0.458 41.221 42.059 -0.633 0.000 0.904 460 L HN 0.264 nan 8.230 nan 0.000 0.435 461 M N -0.304 119.084 119.600 -0.354 0.000 2.086 461 M HA -0.185 4.179 4.480 -0.194 0.000 0.261 461 M C 2.398 178.708 176.300 0.016 0.000 1.067 461 M CA 1.852 57.096 55.300 -0.094 0.000 1.116 461 M CB -0.985 31.448 32.600 -0.278 0.000 1.348 461 M HN 0.237 nan 8.290 nan 0.000 0.407 462 L N -0.750 120.437 121.223 -0.060 0.000 2.083 462 L HA -0.192 4.032 4.340 -0.194 0.000 0.209 462 L C 2.502 179.371 176.870 -0.002 0.000 1.083 462 L CA 0.990 55.824 54.840 -0.010 0.000 0.752 462 L CB -0.657 41.388 42.059 -0.024 0.000 0.899 462 L HN 0.251 nan 8.230 nan 0.000 0.433 463 S N -1.603 114.063 115.700 -0.058 0.000 2.387 463 S HA -0.085 4.269 4.470 -0.194 0.000 0.226 463 S C 1.762 176.434 174.600 0.119 0.000 1.026 463 S CA 0.810 59.010 58.200 0.000 0.000 0.972 463 S CB -0.158 63.011 63.200 -0.052 0.000 0.814 463 S HN 0.300 nan 8.310 nan 0.000 0.477 464 Y N -0.323 119.845 120.300 -0.220 0.000 2.503 464 Y HA 0.428 4.863 4.550 -0.191 0.000 0.278 464 Y C 0.276 175.823 175.900 -0.588 0.000 1.111 464 Y CA -1.053 56.762 58.100 -0.475 0.000 1.270 464 Y CB -0.091 37.828 38.460 -0.901 0.000 1.063 464 Y HN 0.138 nan 8.280 nan 0.000 0.548 465 F N 0.186 120.191 119.950 0.092 0.000 2.565 465 F HA 0.352 4.762 4.527 -0.195 0.000 0.313 465 F C 0.087 175.877 175.800 -0.017 0.000 1.091 465 F CA -1.379 56.602 58.000 -0.032 0.000 0.915 465 F CB 1.554 40.512 39.000 -0.070 0.000 1.208 465 F HN -0.353 nan 8.300 nan 0.000 0.453 466 E N 3.745 124.038 120.200 0.154 0.000 2.331 466 E HA 0.478 4.711 4.350 -0.194 0.000 0.272 466 E C -0.868 175.891 176.600 0.266 0.000 1.036 466 E CA -0.224 56.254 56.400 0.131 0.000 0.864 466 E CB 1.738 31.407 29.700 -0.051 0.000 1.035 466 E HN 0.493 nan 8.360 nan 0.000 0.408 467 L N 2.031 123.447 121.223 0.322 0.000 2.431 467 L HA 0.437 4.660 4.340 -0.194 0.000 0.266 467 L C -0.159 176.874 176.870 0.271 0.000 0.978 467 L CA -0.586 54.448 54.840 0.323 0.000 0.822 467 L CB 1.840 44.040 42.059 0.235 0.000 1.310 467 L HN 0.572 nan 8.230 nan 0.000 0.409 468 E N 2.936 123.272 120.200 0.227 0.000 2.407 468 E HA 0.537 4.771 4.350 -0.194 0.000 0.279 468 E C -1.648 175.018 176.600 0.110 0.000 1.012 468 E CA -1.049 55.409 56.400 0.097 0.000 0.800 468 E CB 1.967 31.650 29.700 -0.029 0.000 1.276 468 E HN 0.336 nan 8.360 nan 0.000 0.452 469 L N 1.921 123.195 121.223 0.085 0.000 2.395 469 L HA 0.219 4.443 4.340 -0.194 0.000 0.269 469 L C 1.144 178.035 176.870 0.034 0.000 1.133 469 L CA -0.854 54.055 54.840 0.115 0.000 0.812 469 L CB 0.358 42.482 42.059 0.109 0.000 1.125 469 L HN 0.641 nan 8.230 nan 0.000 0.452 470 I N 0.639 121.237 120.570 0.047 0.000 2.286 470 I HA -0.088 3.966 4.170 -0.194 0.000 0.245 470 I C 0.847 176.966 176.117 0.003 0.000 1.104 470 I CA 1.307 62.602 61.300 -0.007 0.000 1.397 470 I CB -0.536 37.466 38.000 0.003 0.000 1.072 470 I HN 0.667 nan 8.210 nan 0.000 0.417 471 E N 0.336 120.561 120.200 0.042 0.000 2.376 471 E HA 0.314 4.548 4.350 -0.194 0.000 0.236 471 E C 1.144 177.780 176.600 0.059 0.000 0.962 471 E CA -0.193 56.233 56.400 0.042 0.000 0.768 471 E CB 1.010 30.741 29.700 0.052 0.000 1.236 471 E HN 0.234 nan 8.360 nan 0.000 0.431 472 G N 2.111 110.928 108.800 0.029 0.000 2.443 472 G HA2 -0.276 3.567 3.960 -0.194 0.000 0.219 472 G HA3 -0.276 3.567 3.960 -0.194 0.000 0.219 472 G C 1.174 176.085 174.900 0.019 0.000 1.131 472 G CA 0.599 45.708 45.100 0.015 0.000 0.775 472 G HN 0.358 nan 8.290 nan 0.000 0.547 473 Q N 0.018 119.835 119.800 0.027 0.000 2.319 473 Q HA 0.509 4.733 4.340 -0.194 0.000 0.202 473 Q C 1.282 177.315 176.000 0.055 0.000 0.896 473 Q CA 0.016 55.838 55.803 0.033 0.000 0.942 473 Q CB 0.616 29.368 28.738 0.023 0.000 1.083 473 Q HN 0.399 nan 8.270 nan 0.000 0.510 474 A N 1.100 123.963 122.820 0.073 0.000 2.448 474 A HA 0.164 4.367 4.320 -0.194 0.000 0.239 474 A C 0.097 177.758 177.584 0.128 0.000 1.080 474 A CA -0.211 51.882 52.037 0.093 0.000 0.779 474 A CB 0.312 19.374 19.000 0.102 0.000 1.026 474 A HN 0.017 nan 8.150 nan 0.000 0.499 475 K N -0.247 120.226 120.400 0.122 0.000 2.258 475 K HA 0.260 4.464 4.320 -0.194 0.000 0.264 475 K C 0.022 176.751 176.600 0.214 0.000 1.007 475 K CA -0.159 56.212 56.287 0.141 0.000 0.941 475 K CB 0.638 33.201 32.500 0.105 0.000 0.966 475 K HN 0.754 nan 8.250 nan 0.000 0.480 476 C N 5.237 124.693 119.300 0.259 0.000 2.653 476 C HA 0.362 4.706 4.460 -0.194 0.000 0.421 476 C C -2.030 173.108 174.990 0.246 0.000 1.334 476 C CA -1.587 57.650 59.018 0.366 0.000 1.885 476 C CB -0.671 27.303 27.740 0.389 0.000 2.645 476 C HN 0.614 nan 8.230 nan 0.000 0.601 477 P HA 0.365 nan 4.420 nan 0.000 0.274 477 P C -2.581 174.868 177.300 0.248 0.000 1.231 477 P CA -1.033 62.158 63.100 0.152 0.000 0.790 477 P CB -0.120 31.595 31.700 0.025 0.000 0.951 478 P HA 0.181 nan 4.420 nan 0.000 0.274 478 P C -0.301 177.110 177.300 0.185 0.000 1.246 478 P CA -0.246 62.940 63.100 0.142 0.000 0.795 478 P CB 0.441 32.190 31.700 0.083 0.000 1.006 479 L N 1.199 122.510 121.223 0.147 0.000 2.439 479 L HA 0.150 4.374 4.340 -0.194 0.000 0.269 479 L C 0.836 177.770 176.870 0.108 0.000 1.179 479 L CA -0.026 54.911 54.840 0.163 0.000 0.828 479 L CB 0.033 42.140 42.059 0.081 0.000 1.106 479 L HN 0.356 nan 8.230 nan 0.000 0.467 480 D N 2.290 122.749 120.400 0.097 0.000 2.411 480 D HA 0.075 4.599 4.640 -0.194 0.000 0.225 480 D C 0.428 176.767 176.300 0.064 0.000 1.156 480 D CA -0.026 54.002 54.000 0.046 0.000 0.874 480 D CB 0.973 41.770 40.800 -0.005 0.000 1.034 480 D HN 0.428 nan 8.370 nan 0.000 0.502 481 Q N 1.581 121.419 119.800 0.063 0.000 2.415 481 Q HA -0.021 4.203 4.340 -0.194 0.000 0.206 481 Q C 1.597 177.645 176.000 0.081 0.000 0.946 481 Q CA 0.064 55.917 55.803 0.083 0.000 0.951 481 Q CB 0.270 29.055 28.738 0.077 0.000 1.026 481 Q HN 0.533 nan 8.270 nan 0.000 0.510 482 S N 0.340 116.078 115.700 0.063 0.000 2.447 482 S HA -0.096 4.257 4.470 -0.194 0.000 0.233 482 S C 1.572 176.250 174.600 0.129 0.000 1.006 482 S CA 0.563 58.813 58.200 0.084 0.000 0.957 482 S CB -0.033 63.194 63.200 0.045 0.000 0.773 482 S HN 0.316 nan 8.310 nan 0.000 0.507 483 R N 1.454 122.023 120.500 0.114 0.000 2.388 483 R HA 0.440 4.664 4.340 -0.194 0.000 0.247 483 R C 0.421 176.831 176.300 0.183 0.000 0.931 483 R CA 0.202 56.385 56.100 0.139 0.000 1.082 483 R CB -0.015 30.356 30.300 0.118 0.000 1.135 483 R HN 0.455 nan 8.270 nan 0.000 0.525 484 A N 0.594 123.534 122.820 0.200 0.000 2.546 484 A HA 0.360 4.563 4.320 -0.194 0.000 0.243 484 A C 1.316 179.089 177.584 0.315 0.000 1.063 484 A CA 1.098 53.297 52.037 0.271 0.000 0.757 484 A CB -0.130 19.025 19.000 0.258 0.000 0.991 484 A HN 0.543 nan 8.150 nan 0.000 0.503 485 G N 0.908 109.930 108.800 0.369 0.000 2.259 485 G HA2 -0.218 3.626 3.960 -0.194 0.000 0.217 485 G HA3 -0.218 3.626 3.960 -0.194 0.000 0.217 485 G C 0.677 175.724 174.900 0.245 0.000 1.001 485 G CA 0.335 45.641 45.100 0.343 0.000 0.627 485 G HN 0.787 nan 8.290 nan 0.000 0.501 486 L N 0.666 122.027 121.223 0.230 0.000 2.554 486 L HA 0.520 4.743 4.340 -0.194 0.000 0.225 486 L C 1.667 178.655 176.870 0.196 0.000 1.104 486 L CA 1.026 56.029 54.840 0.270 0.000 0.866 486 L CB 0.211 42.460 42.059 0.317 0.000 1.047 486 L HN 0.987 nan 8.230 nan 0.000 0.468 487 G N 0.162 109.019 108.800 0.094 0.000 2.217 487 G HA2 -0.064 3.780 3.960 -0.194 0.000 0.126 487 G HA3 -0.064 3.780 3.960 -0.194 0.000 0.126 487 G C -0.903 173.987 174.900 -0.017 0.000 1.293 487 G CA -0.834 44.268 45.100 0.002 0.000 1.219 487 G HN -0.173 nan 8.290 nan 0.000 0.477 488 I N 2.567 123.118 120.570 -0.030 0.000 2.471 488 I HA 0.368 4.422 4.170 -0.194 0.000 0.286 488 I C 0.766 176.949 176.117 0.110 0.000 1.079 488 I CA -0.226 61.085 61.300 0.018 0.000 1.398 488 I CB 0.312 38.327 38.000 0.025 0.000 1.403 488 I HN 0.338 nan 8.210 nan 0.000 0.530 489 L N 8.665 129.974 121.223 0.142 0.000 2.305 489 L HA 0.346 4.570 4.340 -0.194 0.000 0.281 489 L C -1.941 175.154 176.870 0.375 0.000 1.085 489 L CA -1.580 53.373 54.840 0.188 0.000 0.813 489 L CB 1.037 43.178 42.059 0.136 0.000 1.157 489 L HN 0.349 nan 8.230 nan 0.000 0.436 490 P HA 0.264 nan 4.420 nan 0.000 0.276 490 P C -2.704 174.639 177.300 0.071 0.000 1.261 490 P CA -1.987 61.161 63.100 0.080 0.000 0.800 490 P CB -0.113 31.425 31.700 -0.270 0.000 1.066 491 P HA 0.042 nan 4.420 nan 0.000 0.275 491 P C 0.878 178.037 177.300 -0.234 0.000 1.227 491 P CA -0.278 62.719 63.100 -0.171 0.000 0.781 491 P CB 0.624 31.952 31.700 -0.620 0.000 0.906 492 L N 2.835 124.009 121.223 -0.082 0.000 2.083 492 L HA -0.107 4.116 4.340 -0.194 0.000 0.209 492 L C 0.592 177.372 176.870 -0.150 0.000 1.083 492 L CA 1.904 56.687 54.840 -0.096 0.000 0.752 492 L CB -1.200 40.843 42.059 -0.026 0.000 0.899 492 L HN 0.578 nan 8.230 nan 0.000 0.433 493 N N -2.316 116.286 118.700 -0.165 0.000 2.240 493 N HA 0.271 4.895 4.740 -0.194 0.000 0.302 493 N C -1.006 174.346 175.510 -0.263 0.000 1.106 493 N CA -0.861 52.082 53.050 -0.177 0.000 0.778 493 N CB 0.805 39.233 38.487 -0.097 0.000 1.431 493 N HN -0.133 nan 8.380 nan 0.000 0.479 494 D N 0.140 120.394 120.400 -0.244 0.000 2.361 494 D HA 0.291 4.815 4.640 -0.194 0.000 0.239 494 D C -0.502 175.730 176.300 -0.113 0.000 1.200 494 D CA -0.105 53.760 54.000 -0.224 0.000 0.915 494 D CB 0.646 41.376 40.800 -0.117 0.000 1.170 494 D HN 0.611 nan 8.370 nan 0.000 0.444 495 I N -1.964 118.576 120.570 -0.050 0.000 2.608 495 I HA 0.456 4.510 4.170 -0.194 0.000 0.295 495 I C -0.338 175.862 176.117 0.137 0.000 1.049 495 I CA -0.684 60.636 61.300 0.032 0.000 1.063 495 I CB 1.838 39.840 38.000 0.004 0.000 1.248 495 I HN 0.122 nan 8.210 nan 0.000 0.424 496 E N 4.944 125.233 120.200 0.149 0.000 2.331 496 E HA 0.517 4.751 4.350 -0.194 0.000 0.272 496 E C -1.257 175.524 176.600 0.302 0.000 1.036 496 E CA -0.347 56.177 56.400 0.208 0.000 0.864 496 E CB 1.377 31.145 29.700 0.113 0.000 1.035 496 E HN 0.639 nan 8.360 nan 0.000 0.408 497 F N -1.114 118.871 119.950 0.059 0.000 2.629 497 F HA 0.779 5.194 4.527 -0.187 0.000 0.316 497 F C -0.660 175.165 175.800 0.041 0.000 1.081 497 F CA -1.166 56.858 58.000 0.040 0.000 0.954 497 F CB 0.928 39.952 39.000 0.040 0.000 1.337 497 F HN 0.249 nan 8.300 nan 0.000 0.474 498 K N 1.672 121.920 120.400 -0.254 0.000 2.221 498 K HA 0.694 4.897 4.320 -0.194 0.000 0.258 498 K C -2.003 174.508 176.600 -0.149 0.000 0.944 498 K CA -0.436 55.675 56.287 -0.294 0.000 0.823 498 K CB 1.105 33.434 32.500 -0.286 0.000 1.113 498 K HN 0.908 nan 8.250 nan 0.000 0.431 499 Y N -1.222 118.902 120.300 -0.294 0.000 2.576 499 Y HA 0.810 5.246 4.550 -0.190 0.000 0.346 499 Y C -0.354 175.384 175.900 -0.270 0.000 1.018 499 Y CA -1.626 56.290 58.100 -0.307 0.000 1.050 499 Y CB 2.114 40.017 38.460 -0.927 0.000 1.280 499 Y HN 0.588 nan 8.280 nan 0.000 0.474 500 K N 2.555 122.789 120.400 -0.276 0.000 2.550 500 K HA 0.404 4.608 4.320 -0.194 0.000 0.252 500 K C -1.916 174.648 176.600 -0.061 0.000 0.943 500 K CA -0.655 55.361 56.287 -0.452 0.000 0.806 500 K CB 1.471 33.153 32.500 -1.363 0.000 1.289 500 K HN 0.728 nan 8.250 nan 0.000 0.435 501 F N 3.461 123.482 119.950 0.117 0.000 2.572 501 F HA 0.066 4.477 4.527 -0.193 0.000 0.370 501 F C 1.267 176.998 175.800 -0.116 0.000 1.103 501 F CA 0.416 58.412 58.000 -0.008 0.000 1.286 501 F CB 0.567 39.529 39.000 -0.063 0.000 1.105 501 F HN 0.314 nan 8.300 nan 0.000 0.583 502 K N 0.000 120.446 120.400 0.077 0.000 2.780 502 K HA 0.000 4.204 4.320 -0.194 0.000 0.191 502 K CA 0.000 56.291 56.287 0.006 0.000 0.838 502 K CB 0.000 32.506 32.500 0.009 0.000 1.064 502 K HN 0.000 nan 8.250 nan 0.000 0.543