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 3oe8_1_B DATA FIRST_RESID 27 DATA SEQUENCE PcFXXXNANF NKIFLPTIYS IIFLTGIVGN GLVILVMGYQ KKLRSMTDKY DATA SEQUENCE RLHLSVADLL FVITLPFWAV DAVANWYFGN FLcKAVHVIY TVNLYSSVWI DATA SEQUENCE LAFISLDRYL AIVHAXXXQR PRKLLAEKVV YVGVWIPALL LTIPDFIFAN DATA SEQUENCE VSEADDRYIc DRFYPNDLWV VVFQFQHIMV GLILPGIVIL SCYCIIISKL DATA SEQUENCE XXXKGHQKRK ALKTTVILIL AFFACWLPYY IGISIDSFIL XXXXXQGcEF DATA SEQUENCE ENTVHKWISI TEALAFFHCC LNPILYAFXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXNIFEM LRIDEGLRLK IYKDTEGYYT DATA SEQUENCE IGIGHLLTKS PSLNAAKSEL DKAIGRNTNG VITKDEAEKL FNQDVDAAVR DATA SEQUENCE GILRNAKLKP VYDSLDAVRR AALINMVFQM GETGVAGFTN SLRMLQQKRW DATA SEQUENCE DEAAVNLAKS RWYNQTPNRA KRVITTFRTG TWDAYXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXGS 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 176.739 177.300 -0.934 0.000 1.155 27 P CA 0.000 62.568 63.100 -0.887 0.000 0.800 27 P CB 0.000 31.515 31.700 -0.307 0.000 0.726 28 c N 0.717 118.970 118.600 -0.580 0.000 4.209 28 c HA -0.151 4.417 4.570 -0.003 0.000 0.305 28 c C 0.521 174.451 174.090 -0.267 0.000 1.339 28 c CA -0.113 56.037 56.329 -0.298 0.000 2.062 28 c CB -2.829 39.574 42.510 -0.179 0.000 1.307 28 c HN 0.369 nan 8.230 nan 0.000 0.706 34 A N 1.025 123.893 122.820 0.080 0.000 2.411 34 A HA 0.661 4.979 4.320 -0.003 0.000 0.285 34 A C 0.687 178.323 177.584 0.087 0.000 1.129 34 A CA -0.438 51.652 52.037 0.089 0.000 0.736 34 A CB 1.034 20.085 19.000 0.086 0.000 1.186 34 A HN 0.648 nan 8.150 nan 0.000 0.445 35 N N 1.583 120.346 118.700 0.105 0.000 2.173 35 N HA -0.096 4.643 4.740 -0.003 0.000 0.184 35 N C 1.290 176.879 175.510 0.131 0.000 1.025 35 N CA 1.530 54.643 53.050 0.105 0.000 0.852 35 N CB -0.325 38.224 38.487 0.104 0.000 0.998 35 N HN 0.699 nan 8.380 nan 0.000 0.427 36 F N 1.536 121.497 119.950 0.019 0.000 2.146 36 F HA 0.005 4.530 4.527 -0.002 0.000 0.298 36 F C 1.574 177.392 175.800 0.029 0.000 1.096 36 F CA 1.177 59.187 58.000 0.016 0.000 1.275 36 F CB -0.538 38.453 39.000 -0.014 0.000 1.008 36 F HN 0.008 nan 8.300 nan 0.000 0.480 37 N N 0.372 119.001 118.700 -0.118 0.000 2.520 37 N HA -0.101 4.637 4.740 -0.003 0.000 0.185 37 N C 0.920 176.357 175.510 -0.121 0.000 1.068 37 N CA 0.757 53.692 53.050 -0.191 0.000 0.911 37 N CB -0.243 38.207 38.487 -0.061 0.000 0.961 37 N HN 0.164 nan 8.380 nan 0.000 0.446 38 K N -0.497 119.859 120.400 -0.073 0.000 2.446 38 K HA 0.303 4.622 4.320 -0.003 0.000 0.203 38 K C 0.519 177.086 176.600 -0.056 0.000 1.027 38 K CA 0.044 56.313 56.287 -0.029 0.000 1.166 38 K CB 0.426 32.938 32.500 0.020 0.000 0.869 38 K HN 0.090 nan 8.250 nan 0.000 0.504 39 I N -1.810 118.677 120.570 -0.137 0.000 4.922 39 I HA 0.121 4.289 4.170 -0.003 0.000 0.331 39 I C 0.827 176.810 176.117 -0.224 0.000 1.260 39 I CA -0.065 61.152 61.300 -0.138 0.000 1.366 39 I CB 0.330 38.287 38.000 -0.071 0.000 1.386 39 I HN 0.077 nan 8.210 nan 0.000 0.483 40 F N 1.253 120.865 119.950 -0.563 0.000 2.059 40 F HA -0.012 4.514 4.527 -0.002 0.000 0.289 40 F C 1.953 177.485 175.800 -0.447 0.000 1.128 40 F CA 1.872 59.512 58.000 -0.600 0.000 1.181 40 F CB -0.306 38.098 39.000 -0.993 0.000 1.012 40 F HN -0.155 nan 8.300 nan 0.000 0.473 41 L N 1.197 122.293 121.223 -0.211 0.000 1.997 41 L HA -0.228 4.110 4.340 -0.003 0.000 0.216 41 L C -0.476 176.006 176.870 -0.648 0.000 1.074 41 L CA 1.830 56.370 54.840 -0.500 0.000 0.763 41 L CB -2.645 39.234 42.059 -0.300 0.000 0.890 41 L HN 0.214 nan 8.230 nan 0.000 0.434 42 P HA -0.121 nan 4.420 nan 0.000 0.218 42 P C 1.438 178.654 177.300 -0.140 0.000 1.149 42 P CA 1.497 64.544 63.100 -0.088 0.000 0.817 42 P CB -0.123 31.570 31.700 -0.012 0.000 0.785 43 T N 0.125 114.535 114.554 -0.239 0.000 2.770 43 T HA -0.053 4.295 4.350 -0.003 0.000 0.263 43 T C 1.943 176.489 174.700 -0.258 0.000 1.039 43 T CA 0.939 62.905 62.100 -0.224 0.000 1.142 43 T CB -0.736 67.978 68.868 -0.257 0.000 0.868 43 T HN -0.028 nan 8.240 nan 0.000 0.435 44 I N 0.391 120.697 120.570 -0.440 0.000 2.226 44 I HA -0.131 4.037 4.170 -0.003 0.000 0.245 44 I C 2.097 178.133 176.117 -0.135 0.000 1.100 44 I CA 1.280 62.343 61.300 -0.394 0.000 1.374 44 I CB -0.550 37.073 38.000 -0.630 0.000 1.057 44 I HN 0.186 nan 8.210 nan 0.000 0.413 45 Y N 0.324 120.577 120.300 -0.079 0.000 2.145 45 Y HA -0.204 4.344 4.550 -0.003 0.000 0.286 45 Y C 2.846 178.717 175.900 -0.050 0.000 1.145 45 Y CA 1.139 59.205 58.100 -0.057 0.000 1.148 45 Y CB -1.535 36.898 38.460 -0.046 0.000 0.981 45 Y HN 0.099 nan 8.280 nan 0.000 0.507 46 S N 0.138 115.896 115.700 0.097 0.000 2.383 46 S HA -0.172 4.296 4.470 -0.003 0.000 0.229 46 S C 2.156 176.834 174.600 0.129 0.000 1.030 46 S CA 1.443 59.697 58.200 0.090 0.000 1.002 46 S CB -0.606 62.606 63.200 0.019 0.000 0.829 46 S HN 0.353 nan 8.310 nan 0.000 0.467 47 I N 1.022 121.619 120.570 0.045 0.000 2.163 47 I HA -0.160 4.008 4.170 -0.003 0.000 0.240 47 I C 2.013 178.155 176.117 0.042 0.000 1.081 47 I CA 1.231 62.546 61.300 0.025 0.000 1.353 47 I CB -0.271 37.713 38.000 -0.026 0.000 1.054 47 I HN 0.222 nan 8.210 nan 0.000 0.407 48 I N -0.082 120.525 120.570 0.062 0.000 2.286 48 I HA -0.320 3.848 4.170 -0.003 0.000 0.248 48 I C 2.386 178.505 176.117 0.004 0.000 1.115 48 I CA 1.406 62.732 61.300 0.044 0.000 1.392 48 I CB -0.341 37.714 38.000 0.091 0.000 1.065 48 I HN 0.187 nan 8.210 nan 0.000 0.418 49 F N 1.496 121.377 119.950 -0.115 0.000 2.069 49 F HA -0.246 4.279 4.527 -0.003 0.000 0.298 49 F C 2.177 177.908 175.800 -0.115 0.000 1.113 49 F CA 1.807 59.714 58.000 -0.156 0.000 1.214 49 F CB -0.200 38.702 39.000 -0.164 0.000 0.978 49 F HN -0.138 nan 8.300 nan 0.000 0.474 50 L N -0.107 120.972 121.223 -0.239 0.000 1.994 50 L HA -0.220 4.119 4.340 -0.003 0.000 0.208 50 L C 2.424 179.153 176.870 -0.236 0.000 1.071 50 L CA 1.929 56.585 54.840 -0.307 0.000 0.745 50 L CB -1.321 40.683 42.059 -0.093 0.000 0.892 50 L HN 0.175 nan 8.230 nan 0.000 0.431 51 T N -0.445 114.030 114.554 -0.131 0.000 2.788 51 T HA -0.125 4.223 4.350 -0.003 0.000 0.268 51 T C 1.822 176.444 174.700 -0.130 0.000 1.044 51 T CA 1.246 63.286 62.100 -0.100 0.000 1.139 51 T CB -0.662 68.177 68.868 -0.049 0.000 0.867 51 T HN 0.557 nan 8.240 nan 0.000 0.454 52 G N 1.536 110.242 108.800 -0.157 0.000 2.434 52 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.214 52 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.214 52 G C 1.488 176.282 174.900 -0.176 0.000 1.202 52 G CA 0.163 45.170 45.100 -0.154 0.000 0.788 52 G HN 0.376 nan 8.290 nan 0.000 0.539 53 I N 0.875 121.271 120.570 -0.290 0.000 2.264 53 I HA -0.119 4.050 4.170 -0.003 0.000 0.248 53 I C 2.706 178.696 176.117 -0.212 0.000 1.111 53 I CA 1.040 62.161 61.300 -0.298 0.000 1.382 53 I CB -0.200 37.488 38.000 -0.520 0.000 1.060 53 I HN 0.051 nan 8.210 nan 0.000 0.418 54 V N 0.551 120.346 119.914 -0.199 0.000 2.273 54 V HA -0.073 4.046 4.120 -0.003 0.000 0.242 54 V C 2.611 178.648 176.094 -0.094 0.000 1.035 54 V CA 1.644 63.863 62.300 -0.135 0.000 1.013 54 V CB -1.285 30.466 31.823 -0.120 0.000 0.652 54 V HN 0.479 nan 8.190 nan 0.000 0.452 55 G N 0.687 109.437 108.800 -0.084 0.000 2.545 55 G HA2 -0.311 3.648 3.960 -0.003 0.000 0.217 55 G HA3 -0.311 3.648 3.960 -0.003 0.000 0.217 55 G C 1.438 176.320 174.900 -0.030 0.000 1.218 55 G CA 1.220 46.291 45.100 -0.048 0.000 0.787 55 G HN 0.494 nan 8.290 nan 0.000 0.571 56 N N 1.165 119.844 118.700 -0.035 0.000 2.084 56 N HA -0.121 4.618 4.740 -0.003 0.000 0.190 56 N C 2.444 177.944 175.510 -0.018 0.000 1.030 56 N CA 1.442 54.489 53.050 -0.005 0.000 0.849 56 N CB -0.824 37.663 38.487 0.001 0.000 1.012 56 N HN 0.333 nan 8.380 nan 0.000 0.423 57 G N 2.059 110.830 108.800 -0.049 0.000 2.469 57 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.220 57 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.220 57 G C 1.781 176.647 174.900 -0.056 0.000 1.136 57 G CA 0.488 45.554 45.100 -0.056 0.000 0.759 57 G HN 0.201 nan 8.290 nan 0.000 0.562 58 L N -0.046 121.142 121.223 -0.058 0.000 1.989 58 L HA -0.132 4.206 4.340 -0.003 0.000 0.211 58 L C 3.073 179.908 176.870 -0.058 0.000 1.071 58 L CA 0.861 55.665 54.840 -0.061 0.000 0.749 58 L CB -0.572 41.452 42.059 -0.057 0.000 0.890 58 L HN 0.126 nan 8.230 nan 0.000 0.431 59 V N 0.370 120.258 119.914 -0.044 0.000 2.252 59 V HA -0.366 3.753 4.120 -0.003 0.000 0.249 59 V C 2.312 178.391 176.094 -0.024 0.000 1.056 59 V CA 2.297 64.564 62.300 -0.055 0.000 1.022 59 V CB -0.462 31.369 31.823 0.013 0.000 0.641 59 V HN 0.338 nan 8.190 nan 0.000 0.445 60 I N -0.618 119.957 120.570 0.008 0.000 2.208 60 I HA -0.293 3.876 4.170 -0.003 0.000 0.245 60 I C 2.289 178.450 176.117 0.074 0.000 1.097 60 I CA 1.726 63.053 61.300 0.044 0.000 1.363 60 I CB -0.338 37.684 38.000 0.038 0.000 1.051 60 I HN 0.273 nan 8.210 nan 0.000 0.413 61 L N -0.586 120.634 121.223 -0.005 0.000 2.095 61 L HA -0.110 4.228 4.340 -0.003 0.000 0.204 61 L C 2.459 179.333 176.870 0.007 0.000 1.080 61 L CA 0.663 55.468 54.840 -0.058 0.000 0.759 61 L CB -0.447 41.531 42.059 -0.136 0.000 0.914 61 L HN 0.030 nan 8.230 nan 0.000 0.439 62 V N -0.637 119.264 119.914 -0.022 0.000 2.453 62 V HA -0.191 3.928 4.120 -0.003 0.000 0.247 62 V C 2.280 178.363 176.094 -0.017 0.000 1.048 62 V CA 1.510 63.789 62.300 -0.035 0.000 1.049 62 V CB -0.109 31.663 31.823 -0.085 0.000 0.672 62 V HN 0.343 nan 8.190 nan 0.000 0.457 63 M N -0.430 119.159 119.600 -0.019 0.000 2.384 63 M HA 0.117 4.595 4.480 -0.003 0.000 0.258 63 M C 2.443 178.766 176.300 0.039 0.000 1.130 63 M CA 1.571 56.862 55.300 -0.016 0.000 1.187 63 M CB -1.091 31.483 32.600 -0.043 0.000 1.307 63 M HN 0.419 nan 8.290 nan 0.000 0.468 64 G N 0.112 108.969 108.800 0.094 0.000 2.606 64 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.221 64 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.221 64 G C 1.013 175.877 174.900 -0.060 0.000 1.152 64 G CA 1.732 46.886 45.100 0.090 0.000 0.765 64 G HN 0.362 nan 8.290 nan 0.000 0.595 65 Y N -0.715 119.563 120.300 -0.036 0.000 2.447 65 Y HA 0.220 4.768 4.550 -0.003 0.000 0.286 65 Y C 3.112 178.994 175.900 -0.029 0.000 1.153 65 Y CA 0.674 58.755 58.100 -0.031 0.000 1.241 65 Y CB -0.582 37.859 38.460 -0.032 0.000 1.284 65 Y HN 0.143 nan 8.280 nan 0.000 0.520 66 Q N 0.818 120.700 119.800 0.137 0.000 2.079 66 Q HA -0.087 4.252 4.340 -0.003 0.000 0.200 66 Q C 0.406 176.418 176.000 0.021 0.000 0.974 66 Q CA 0.961 56.798 55.803 0.057 0.000 0.840 66 Q CB -0.098 28.658 28.738 0.030 0.000 0.898 66 Q HN 0.182 nan 8.270 nan 0.000 0.430 67 K N 1.358 121.764 120.400 0.010 0.000 2.447 67 K HA -0.020 4.299 4.320 -0.003 0.000 0.281 67 K C 0.456 177.051 176.600 -0.007 0.000 1.031 67 K CA 0.249 56.533 56.287 -0.005 0.000 1.019 67 K CB 0.653 33.143 32.500 -0.015 0.000 0.918 67 K HN -0.101 nan 8.250 nan 0.000 0.476 68 K N 2.200 122.599 120.400 -0.003 0.000 2.365 68 K HA 0.188 4.506 4.320 -0.003 0.000 0.195 68 K C -0.015 176.586 176.600 0.003 0.000 1.079 68 K CA 0.200 56.485 56.287 -0.003 0.000 0.979 68 K CB 0.458 32.957 32.500 -0.002 0.000 0.929 68 K HN 0.399 nan 8.250 nan 0.000 0.523 69 L N 2.087 123.314 121.223 0.007 0.000 2.277 69 L HA 0.384 4.723 4.340 -0.003 0.000 0.284 69 L C -0.993 175.888 176.870 0.019 0.000 1.028 69 L CA -0.382 54.467 54.840 0.014 0.000 0.835 69 L CB 0.682 42.751 42.059 0.017 0.000 1.215 69 L HN -0.042 nan 8.230 nan 0.000 0.425 70 R N 2.484 122.996 120.500 0.020 0.000 2.670 70 R HA 0.435 4.773 4.340 -0.003 0.000 0.289 70 R C -0.536 175.786 176.300 0.037 0.000 0.965 70 R CA -0.494 55.623 56.100 0.029 0.000 0.899 70 R CB 2.331 32.642 30.300 0.019 0.000 1.173 70 R HN 0.592 nan 8.270 nan 0.000 0.456 71 S N 1.437 117.172 115.700 0.058 0.000 2.634 71 S HA 0.128 4.597 4.470 -0.003 0.000 0.261 71 S C 1.609 176.232 174.600 0.038 0.000 1.271 71 S CA -0.465 57.772 58.200 0.061 0.000 0.985 71 S CB 0.696 63.950 63.200 0.090 0.000 0.968 71 S HN 0.548 nan 8.310 nan 0.000 0.568 72 M N 1.520 121.141 119.600 0.035 0.000 2.254 72 M HA -0.049 4.429 4.480 -0.003 0.000 0.265 72 M C 2.042 178.341 176.300 -0.001 0.000 1.066 72 M CA 1.388 56.673 55.300 -0.024 0.000 1.123 72 M CB -1.842 30.778 32.600 0.034 0.000 1.388 72 M HN 0.688 nan 8.290 nan 0.000 0.425 73 T N 0.565 115.203 114.554 0.139 0.000 2.737 73 T HA -0.115 4.233 4.350 -0.003 0.000 0.265 73 T C 1.287 176.115 174.700 0.213 0.000 1.038 73 T CA 1.280 63.517 62.100 0.230 0.000 1.144 73 T CB -0.258 68.720 68.868 0.184 0.000 0.866 73 T HN 0.298 nan 8.240 nan 0.000 0.434 74 D N 0.771 121.278 120.400 0.177 0.000 2.263 74 D HA -0.055 4.584 4.640 -0.003 0.000 0.208 74 D C 2.086 178.480 176.300 0.156 0.000 0.971 74 D CA 0.917 55.045 54.000 0.214 0.000 0.867 74 D CB -0.094 40.815 40.800 0.183 0.000 0.929 74 D HN 0.242 nan 8.370 nan 0.000 0.492 75 K N -0.127 120.313 120.400 0.066 0.000 2.076 75 K HA -0.086 4.232 4.320 -0.003 0.000 0.204 75 K C 1.735 178.413 176.600 0.131 0.000 1.051 75 K CA 0.840 57.144 56.287 0.029 0.000 0.949 75 K CB -0.312 32.118 32.500 -0.116 0.000 0.726 75 K HN 0.066 nan 8.250 nan 0.000 0.443 76 Y N 0.524 120.925 120.300 0.168 0.000 2.314 76 Y HA 0.040 4.588 4.550 -0.002 0.000 0.293 76 Y C 1.956 177.969 175.900 0.188 0.000 1.129 76 Y CA 0.991 59.171 58.100 0.134 0.000 1.201 76 Y CB -0.099 38.401 38.460 0.067 0.000 0.999 76 Y HN -0.009 nan 8.280 nan 0.000 0.541 77 R N 0.173 120.874 120.500 0.336 0.000 2.189 77 R HA -0.113 4.226 4.340 -0.003 0.000 0.223 77 R C 1.862 178.334 176.300 0.287 0.000 1.092 77 R CA 1.495 57.773 56.100 0.297 0.000 0.989 77 R CB -0.438 30.056 30.300 0.324 0.000 0.876 77 R HN 0.421 nan 8.270 nan 0.000 0.457 78 L N -3.794 117.583 121.223 0.257 0.000 2.307 78 L HA 0.177 4.515 4.340 -0.003 0.000 0.211 78 L C 1.795 178.785 176.870 0.200 0.000 1.099 78 L CA 1.323 56.274 54.840 0.185 0.000 0.816 78 L CB -0.541 41.582 42.059 0.107 0.000 0.952 78 L HN -0.099 nan 8.230 nan 0.000 0.455 79 H N -0.034 119.156 119.070 0.201 0.000 2.353 79 H HA -0.092 4.462 4.556 -0.003 0.000 0.300 79 H C 2.054 177.585 175.328 0.339 0.000 1.090 79 H CA 2.299 58.516 56.048 0.281 0.000 1.327 79 H CB 0.059 30.005 29.762 0.307 0.000 1.383 79 H HN 0.336 nan 8.280 nan 0.000 0.508 80 L N -0.727 120.723 121.223 0.378 0.000 2.056 80 L HA -0.124 4.214 4.340 -0.003 0.000 0.207 80 L C 2.384 179.404 176.870 0.249 0.000 1.078 80 L CA 1.543 56.540 54.840 0.263 0.000 0.749 80 L CB -0.614 41.560 42.059 0.192 0.000 0.901 80 L HN 0.108 nan 8.230 nan 0.000 0.433 81 S N -1.497 114.337 115.700 0.224 0.000 2.402 81 S HA -0.123 4.345 4.470 -0.003 0.000 0.229 81 S C 1.891 176.587 174.600 0.160 0.000 1.021 81 S CA 1.239 59.542 58.200 0.172 0.000 0.974 81 S CB -0.248 63.039 63.200 0.145 0.000 0.800 81 S HN 0.332 nan 8.310 nan 0.000 0.484 82 V N 1.699 121.722 119.914 0.182 0.000 2.358 82 V HA -0.119 3.999 4.120 -0.003 0.000 0.246 82 V C 2.667 178.909 176.094 0.247 0.000 1.047 82 V CA 1.675 64.067 62.300 0.153 0.000 1.035 82 V CB -1.113 30.749 31.823 0.064 0.000 0.658 82 V HN 0.560 nan 8.190 nan 0.000 0.452 83 A N -0.234 122.825 122.820 0.398 0.000 1.877 83 A HA -0.241 4.077 4.320 -0.003 0.000 0.216 83 A C 2.025 179.792 177.584 0.304 0.000 1.186 83 A CA 1.971 54.276 52.037 0.447 0.000 0.620 83 A CB -0.602 18.617 19.000 0.365 0.000 0.822 83 A HN 0.530 nan 8.150 nan 0.000 0.443 84 D N -0.616 119.932 120.400 0.247 0.000 2.219 84 D HA -0.089 4.550 4.640 -0.003 0.000 0.205 84 D C 1.827 178.217 176.300 0.149 0.000 0.970 84 D CA 1.033 55.154 54.000 0.201 0.000 0.851 84 D CB -0.171 40.711 40.800 0.137 0.000 0.943 84 D HN 0.363 nan 8.370 nan 0.000 0.488 85 L N 0.448 121.742 121.223 0.120 0.000 2.072 85 L HA -0.069 4.269 4.340 -0.003 0.000 0.205 85 L C 2.187 179.103 176.870 0.077 0.000 1.079 85 L CA 1.022 55.898 54.840 0.059 0.000 0.752 85 L CB -0.486 41.598 42.059 0.042 0.000 0.906 85 L HN -0.078 nan 8.230 nan 0.000 0.436 86 L N -1.227 120.081 121.223 0.141 0.000 2.043 86 L HA -0.275 4.064 4.340 -0.003 0.000 0.212 86 L C 2.280 179.260 176.870 0.183 0.000 1.075 86 L CA 2.162 57.099 54.840 0.163 0.000 0.752 86 L CB -0.605 41.586 42.059 0.220 0.000 0.891 86 L HN 0.429 nan 8.230 nan 0.000 0.432 87 F N -0.832 119.148 119.950 0.050 0.000 2.149 87 F HA -0.128 4.397 4.527 -0.003 0.000 0.294 87 F C 2.298 178.033 175.800 -0.108 0.000 1.095 87 F CA 1.412 59.401 58.000 -0.019 0.000 1.276 87 F CB -0.263 38.717 39.000 -0.032 0.000 1.023 87 F HN -0.025 nan 8.300 nan 0.000 0.480 88 V N -0.210 119.516 119.914 -0.312 0.000 2.568 88 V HA -0.279 3.839 4.120 -0.003 0.000 0.253 88 V C 2.079 178.072 176.094 -0.168 0.000 1.072 88 V CA 2.043 64.121 62.300 -0.369 0.000 1.084 88 V CB -1.277 30.430 31.823 -0.194 0.000 0.676 88 V HN 0.491 nan 8.190 nan 0.000 0.469 89 I N 2.133 122.656 120.570 -0.077 0.000 2.394 89 I HA -0.181 3.987 4.170 -0.003 0.000 0.251 89 I C 2.767 178.862 176.117 -0.037 0.000 1.136 89 I CA 2.014 63.331 61.300 0.029 0.000 1.425 89 I CB -0.513 37.516 38.000 0.049 0.000 1.079 89 I HN 0.604 nan 8.210 nan 0.000 0.425 90 T N -1.496 113.009 114.554 -0.082 0.000 3.067 90 T HA 0.054 4.402 4.350 -0.003 0.000 0.261 90 T C 1.786 176.448 174.700 -0.064 0.000 1.110 90 T CA 0.264 62.432 62.100 0.113 0.000 1.113 90 T CB -0.388 68.603 68.868 0.204 0.000 0.917 90 T HN 0.228 nan 8.240 nan 0.000 0.499 91 L N 1.174 122.107 121.223 -0.483 0.000 2.043 91 L HA -0.017 4.322 4.340 -0.003 0.000 0.212 91 L C -0.404 176.220 176.870 -0.410 0.000 1.075 91 L CA 1.461 55.941 54.840 -0.600 0.000 0.752 91 L CB -1.495 40.165 42.059 -0.665 0.000 0.891 91 L HN 0.236 nan 8.230 nan 0.000 0.432 92 P HA -0.204 nan 4.420 nan 0.000 0.217 92 P C 1.364 178.392 177.300 -0.453 0.000 1.148 92 P CA 1.569 64.260 63.100 -0.681 0.000 0.828 92 P CB -0.092 31.035 31.700 -0.955 0.000 0.783 93 F N -2.946 116.857 119.950 -0.244 0.000 2.186 93 F HA -0.082 4.444 4.527 -0.003 0.000 0.299 93 F C 2.095 177.985 175.800 0.150 0.000 1.090 93 F CA 0.712 58.564 58.000 -0.247 0.000 1.307 93 F CB -1.638 37.141 39.000 -0.368 0.000 1.019 93 F HN -0.066 nan 8.300 nan 0.000 0.489 94 W N 0.422 121.724 121.300 0.003 0.000 2.358 94 W HA -0.033 4.626 4.660 -0.003 0.000 0.303 94 W C 2.616 179.193 176.519 0.096 0.000 1.208 94 W CA 1.615 58.902 57.345 -0.096 0.000 1.274 94 W CB -1.167 27.889 29.460 -0.673 0.000 1.138 94 W HN -0.051 nan 8.180 nan 0.000 0.515 95 A N -0.281 122.742 122.820 0.338 0.000 1.898 95 A HA -0.117 4.201 4.320 -0.003 0.000 0.216 95 A C 2.056 179.792 177.584 0.252 0.000 1.181 95 A CA 2.069 54.310 52.037 0.340 0.000 0.620 95 A CB -1.055 18.049 19.000 0.174 0.000 0.819 95 A HN 0.065 nan 8.150 nan 0.000 0.442 96 V N 0.655 120.722 119.914 0.255 0.000 2.307 96 V HA -0.261 3.857 4.120 -0.003 0.000 0.245 96 V C 2.309 178.587 176.094 0.307 0.000 1.045 96 V CA 2.438 64.920 62.300 0.304 0.000 1.024 96 V CB -0.883 31.216 31.823 0.460 0.000 0.651 96 V HN 0.815 nan 8.190 nan 0.000 0.449 97 D N 0.094 120.728 120.400 0.390 0.000 2.221 97 D HA -0.145 4.493 4.640 -0.003 0.000 0.204 97 D C 1.956 178.391 176.300 0.224 0.000 0.982 97 D CA 1.390 55.600 54.000 0.350 0.000 0.857 97 D CB -0.024 41.049 40.800 0.455 0.000 0.934 97 D HN 0.421 nan 8.370 nan 0.000 0.475 98 A N 0.112 123.076 122.820 0.239 0.000 1.835 98 A HA -0.006 4.313 4.320 -0.003 0.000 0.213 98 A C 2.550 180.216 177.584 0.137 0.000 1.210 98 A CA 1.815 53.970 52.037 0.196 0.000 0.605 98 A CB -1.194 17.959 19.000 0.255 0.000 0.860 98 A HN 0.303 nan 8.150 nan 0.000 0.447 99 V N -2.821 117.172 119.914 0.132 0.000 2.343 99 V HA 0.274 4.393 4.120 -0.003 0.000 0.247 99 V C 1.305 177.458 176.094 0.098 0.000 1.051 99 V CA 1.401 63.760 62.300 0.097 0.000 1.036 99 V CB -1.484 30.389 31.823 0.084 0.000 0.654 99 V HN 0.815 nan 8.190 nan 0.000 0.451 100 A N -0.235 122.657 122.820 0.119 0.000 2.686 100 A HA 0.604 4.922 4.320 -0.003 0.000 0.263 100 A C -0.042 177.555 177.584 0.022 0.000 1.264 100 A CA -0.541 51.557 52.037 0.102 0.000 0.799 100 A CB 0.232 19.347 19.000 0.192 0.000 1.363 100 A HN 0.311 nan 8.150 nan 0.000 0.507 101 N N -0.013 118.595 118.700 -0.153 0.000 2.288 101 N HA 0.033 4.771 4.740 -0.003 0.000 0.237 101 N C -0.923 174.284 175.510 -0.505 0.000 1.311 101 N CA -0.134 52.693 53.050 -0.370 0.000 0.909 101 N CB 0.465 38.581 38.487 -0.618 0.000 1.167 101 N HN 0.619 nan 8.380 nan 0.000 0.476 102 W N 3.494 124.521 121.300 -0.456 0.000 2.283 102 W HA 0.225 4.884 4.660 -0.002 0.000 0.317 102 W C -0.786 175.418 176.519 -0.525 0.000 1.042 102 W CA -0.523 56.618 57.345 -0.340 0.000 1.348 102 W CB -0.125 29.301 29.460 -0.056 0.000 1.216 102 W HN 0.647 nan 8.180 nan 0.000 0.404 103 Y N 3.618 123.302 120.300 -1.027 0.000 2.497 103 Y HA 0.035 4.584 4.550 -0.002 0.000 0.265 103 Y C 1.689 177.012 175.900 -0.962 0.000 1.111 103 Y CA 0.167 57.722 58.100 -0.909 0.000 1.288 103 Y CB -0.326 37.654 38.460 -0.800 0.000 1.082 103 Y HN 0.255 nan 8.280 nan 0.000 0.536 104 F N 0.714 120.225 119.950 -0.732 0.000 2.664 104 F HA 0.177 4.703 4.527 -0.003 0.000 0.297 104 F C 1.662 177.320 175.800 -0.237 0.000 1.164 104 F CA 0.537 58.182 58.000 -0.590 0.000 1.472 104 F CB -0.922 37.518 39.000 -0.933 0.000 1.108 104 F HN 0.077 nan 8.300 nan 0.000 0.596 105 G N 0.815 109.612 108.800 -0.006 0.000 2.760 105 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.246 105 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.246 105 G C 0.191 175.305 174.900 0.357 0.000 1.359 105 G CA 0.075 45.272 45.100 0.161 0.000 0.861 105 G HN 0.256 nan 8.290 nan 0.000 0.541 106 N N -1.264 117.575 118.700 0.232 0.000 2.171 106 N HA 0.079 4.817 4.740 -0.003 0.000 0.184 106 N C 2.127 177.768 175.510 0.219 0.000 1.021 106 N CA 2.072 55.244 53.050 0.204 0.000 0.854 106 N CB -0.171 38.392 38.487 0.127 0.000 0.994 106 N HN 0.525 nan 8.380 nan 0.000 0.426 107 F N 0.466 120.484 119.950 0.114 0.000 2.102 107 F HA -0.072 4.454 4.527 -0.002 0.000 0.298 107 F C 1.666 177.547 175.800 0.135 0.000 1.105 107 F CA 0.979 59.043 58.000 0.108 0.000 1.239 107 F CB -0.132 38.912 39.000 0.073 0.000 0.991 107 F HN 0.004 nan 8.300 nan 0.000 0.474 108 L N -0.392 120.941 121.223 0.182 0.000 2.275 108 L HA -0.197 4.142 4.340 -0.003 0.000 0.215 108 L C 2.579 179.560 176.870 0.185 0.000 1.119 108 L CA 1.129 56.006 54.840 0.062 0.000 0.790 108 L CB -0.944 41.101 42.059 -0.024 0.000 0.919 108 L HN 0.483 nan 8.230 nan 0.000 0.443 109 c N -0.643 118.140 118.600 0.305 0.000 2.457 109 c HA -0.115 4.454 4.570 -0.003 0.000 0.278 109 c C 2.784 176.912 174.090 0.062 0.000 1.309 109 c CA 0.565 56.962 56.329 0.113 0.000 1.735 109 c CB -0.508 41.972 42.510 -0.050 0.000 1.992 109 c HN 0.484 nan 8.230 nan 0.000 0.493 110 K N 0.846 121.227 120.400 -0.032 0.000 2.031 110 K HA -0.006 4.312 4.320 -0.003 0.000 0.205 110 K C 2.345 178.871 176.600 -0.123 0.000 1.049 110 K CA 1.493 57.736 56.287 -0.073 0.000 0.939 110 K CB -0.390 32.083 32.500 -0.046 0.000 0.717 110 K HN 0.493 nan 8.250 nan 0.000 0.438 111 A N 1.082 123.744 122.820 -0.263 0.000 1.940 111 A HA -0.140 4.178 4.320 -0.003 0.000 0.219 111 A C 2.359 179.906 177.584 -0.062 0.000 1.176 111 A CA 1.516 53.418 52.037 -0.224 0.000 0.631 111 A CB -0.697 18.113 19.000 -0.318 0.000 0.814 111 A HN 0.089 nan 8.150 nan 0.000 0.446 112 V N -0.884 119.015 119.914 -0.024 0.000 2.453 112 V HA -0.227 3.892 4.120 -0.003 0.000 0.247 112 V C 2.308 178.434 176.094 0.052 0.000 1.048 112 V CA 2.312 64.639 62.300 0.045 0.000 1.049 112 V CB -0.939 30.902 31.823 0.030 0.000 0.672 112 V HN 0.726 nan 8.190 nan 0.000 0.457 113 H N -0.205 118.851 119.070 -0.023 0.000 2.357 113 H HA -0.115 4.439 4.556 -0.003 0.000 0.301 113 H C 2.231 177.559 175.328 -0.000 0.000 1.082 113 H CA 2.012 58.061 56.048 0.003 0.000 1.342 113 H CB -0.192 29.515 29.762 -0.093 0.000 1.389 113 H HN 0.401 nan 8.280 nan 0.000 0.511 114 V N -0.957 118.944 119.914 -0.021 0.000 2.358 114 V HA -0.176 3.942 4.120 -0.003 0.000 0.246 114 V C 2.101 178.189 176.094 -0.010 0.000 1.047 114 V CA 1.752 63.953 62.300 -0.165 0.000 1.035 114 V CB -0.733 30.759 31.823 -0.552 0.000 0.658 114 V HN 0.337 nan 8.190 nan 0.000 0.452 115 I N -0.820 119.804 120.570 0.091 0.000 2.226 115 I HA -0.170 3.999 4.170 -0.003 0.000 0.245 115 I C 2.579 178.849 176.117 0.254 0.000 1.100 115 I CA 2.241 63.655 61.300 0.191 0.000 1.374 115 I CB -0.482 37.654 38.000 0.227 0.000 1.057 115 I HN 0.417 nan 8.210 nan 0.000 0.413 116 Y N 1.624 122.001 120.300 0.130 0.000 2.181 116 Y HA -0.262 4.287 4.550 -0.003 0.000 0.288 116 Y C 2.673 178.504 175.900 -0.115 0.000 1.146 116 Y CA 1.898 60.007 58.100 0.015 0.000 1.164 116 Y CB -0.831 37.718 38.460 0.148 0.000 0.982 116 Y HN 0.074 nan 8.280 nan 0.000 0.515 117 T N -0.127 114.348 114.554 -0.132 0.000 2.622 117 T HA -0.200 4.149 4.350 -0.003 0.000 0.266 117 T C 2.155 176.718 174.700 -0.228 0.000 1.047 117 T CA 2.058 63.984 62.100 -0.290 0.000 1.159 117 T CB -0.911 67.898 68.868 -0.098 0.000 0.863 117 T HN 0.180 nan 8.240 nan 0.000 0.422 118 V N 2.776 122.677 119.914 -0.023 0.000 2.252 118 V HA -0.258 3.861 4.120 -0.003 0.000 0.249 118 V C 2.561 178.653 176.094 -0.004 0.000 1.056 118 V CA 1.965 64.304 62.300 0.066 0.000 1.022 118 V CB -0.707 31.219 31.823 0.171 0.000 0.641 118 V HN 0.597 nan 8.190 nan 0.000 0.445 119 N N -0.000 118.696 118.700 -0.006 0.000 2.084 119 N HA -0.167 4.571 4.740 -0.003 0.000 0.190 119 N C 1.955 177.390 175.510 -0.124 0.000 1.030 119 N CA 1.813 54.855 53.050 -0.013 0.000 0.849 119 N CB -0.127 38.376 38.487 0.026 0.000 1.012 119 N HN 0.439 nan 8.380 nan 0.000 0.423 120 L N 0.081 121.097 121.223 -0.346 0.000 1.990 120 L HA -0.228 4.110 4.340 -0.003 0.000 0.213 120 L C 2.413 179.125 176.870 -0.262 0.000 1.072 120 L CA 1.502 56.057 54.840 -0.475 0.000 0.755 120 L CB -0.724 40.837 42.059 -0.830 0.000 0.889 120 L HN 0.214 nan 8.230 nan 0.000 0.432 121 Y N -0.053 120.196 120.300 -0.084 0.000 2.133 121 Y HA -0.244 4.304 4.550 -0.003 0.000 0.287 121 Y C 3.085 178.986 175.900 0.002 0.000 1.134 121 Y CA 1.100 59.206 58.100 0.009 0.000 1.133 121 Y CB -1.280 37.151 38.460 -0.048 0.000 0.987 121 Y HN 0.305 nan 8.280 nan 0.000 0.502 122 S N 0.044 115.717 115.700 -0.044 0.000 2.354 122 S HA -0.266 4.203 4.470 -0.003 0.000 0.219 122 S C 2.319 176.806 174.600 -0.188 0.000 1.035 122 S CA 1.800 59.816 58.200 -0.306 0.000 1.037 122 S CB -1.423 61.324 63.200 -0.754 0.000 0.956 122 S HN 0.552 nan 8.310 nan 0.000 0.428 123 S N 1.560 117.199 115.700 -0.102 0.000 2.389 123 S HA -0.160 4.308 4.470 -0.003 0.000 0.231 123 S C 1.910 176.308 174.600 -0.336 0.000 1.052 123 S CA 1.427 59.584 58.200 -0.072 0.000 1.053 123 S CB -1.357 61.965 63.200 0.204 0.000 0.886 123 S HN 0.540 nan 8.310 nan 0.000 0.456 124 V N -0.229 119.497 119.914 -0.314 0.000 2.407 124 V HA 0.043 4.161 4.120 -0.003 0.000 0.245 124 V C 1.887 177.734 176.094 -0.412 0.000 1.041 124 V CA 1.370 63.354 62.300 -0.527 0.000 1.040 124 V CB -0.688 30.929 31.823 -0.343 0.000 0.671 124 V HN 0.720 nan 8.190 nan 0.000 0.455 125 W N -0.396 120.775 121.300 -0.216 0.000 2.800 125 W HA 0.178 4.837 4.660 -0.002 0.000 0.249 125 W C 2.028 178.436 176.519 -0.184 0.000 1.294 125 W CA 0.495 57.750 57.345 -0.150 0.000 1.402 125 W CB -0.161 29.220 29.460 -0.133 0.000 1.126 125 W HN 0.225 nan 8.180 nan 0.000 0.652 126 I N -0.440 120.059 120.570 -0.118 0.000 2.333 126 I HA -0.253 3.915 4.170 -0.003 0.000 0.246 126 I C 2.105 178.091 176.117 -0.217 0.000 1.106 126 I CA 1.078 62.250 61.300 -0.213 0.000 1.411 126 I CB -0.534 37.370 38.000 -0.161 0.000 1.082 126 I HN -0.133 nan 8.210 nan 0.000 0.420 127 L N 0.573 121.639 121.223 -0.260 0.000 2.191 127 L HA -0.192 4.147 4.340 -0.003 0.000 0.212 127 L C 2.738 179.482 176.870 -0.210 0.000 1.103 127 L CA 1.109 55.792 54.840 -0.261 0.000 0.769 127 L CB -0.682 41.118 42.059 -0.432 0.000 0.908 127 L HN 0.257 nan 8.230 nan 0.000 0.438 128 A N -0.382 122.305 122.820 -0.223 0.000 1.897 128 A HA -0.156 4.162 4.320 -0.003 0.000 0.215 128 A C 2.002 179.487 177.584 -0.165 0.000 1.181 128 A CA 1.162 53.067 52.037 -0.219 0.000 0.620 128 A CB -0.627 18.177 19.000 -0.327 0.000 0.821 128 A HN 0.273 nan 8.150 nan 0.000 0.443 129 F N 0.272 120.017 119.950 -0.341 0.000 2.234 129 F HA -0.055 4.471 4.527 -0.003 0.000 0.299 129 F C 2.096 177.547 175.800 -0.582 0.000 1.087 129 F CA 1.064 58.769 58.000 -0.492 0.000 1.340 129 F CB -0.266 38.291 39.000 -0.739 0.000 1.031 129 F HN 0.133 nan 8.300 nan 0.000 0.500 130 I N -0.598 119.759 120.570 -0.355 0.000 2.202 130 I HA -0.307 3.861 4.170 -0.003 0.000 0.242 130 I C 2.535 178.611 176.117 -0.069 0.000 1.091 130 I CA 1.622 62.848 61.300 -0.124 0.000 1.368 130 I CB -0.837 37.155 38.000 -0.013 0.000 1.058 130 I HN 0.118 nan 8.210 nan 0.000 0.410 131 S N 1.156 116.767 115.700 -0.148 0.000 2.402 131 S HA -0.163 4.306 4.470 -0.003 0.000 0.229 131 S C 1.976 176.413 174.600 -0.273 0.000 1.021 131 S CA 0.814 58.835 58.200 -0.299 0.000 0.974 131 S CB -0.763 62.210 63.200 -0.379 0.000 0.800 131 S HN 0.370 nan 8.310 nan 0.000 0.484 132 L N 2.070 123.158 121.223 -0.225 0.000 2.072 132 L HA -0.007 4.331 4.340 -0.003 0.000 0.205 132 L C 2.288 179.142 176.870 -0.027 0.000 1.079 132 L CA 1.997 56.722 54.840 -0.193 0.000 0.752 132 L CB -0.623 41.225 42.059 -0.352 0.000 0.906 132 L HN 0.289 nan 8.230 nan 0.000 0.436 133 D N -0.749 119.653 120.400 0.004 0.000 2.117 133 D HA -0.248 4.391 4.640 -0.003 0.000 0.198 133 D C 2.183 178.550 176.300 0.112 0.000 0.982 133 D CA 0.811 54.887 54.000 0.127 0.000 0.828 133 D CB 0.203 41.184 40.800 0.303 0.000 0.967 133 D HN 0.123 nan 8.370 nan 0.000 0.464 134 R N -0.027 120.516 120.500 0.072 0.000 2.127 134 R HA -0.207 4.132 4.340 -0.003 0.000 0.238 134 R C 2.228 178.555 176.300 0.045 0.000 1.134 134 R CA 1.342 57.475 56.100 0.054 0.000 0.975 134 R CB -1.244 29.072 30.300 0.026 0.000 0.865 134 R HN 0.368 nan 8.270 nan 0.000 0.447 135 Y N 0.119 120.370 120.300 -0.082 0.000 2.133 135 Y HA -0.109 4.439 4.550 -0.003 0.000 0.287 135 Y C 1.646 177.572 175.900 0.043 0.000 1.134 135 Y CA 1.924 59.991 58.100 -0.055 0.000 1.133 135 Y CB -0.292 38.115 38.460 -0.089 0.000 0.987 135 Y HN 0.059 nan 8.280 nan 0.000 0.502 136 L N 0.163 121.443 121.223 0.096 0.000 2.201 136 L HA -0.150 4.189 4.340 -0.003 0.000 0.212 136 L C 2.702 179.590 176.870 0.029 0.000 1.105 136 L CA 0.979 55.873 54.840 0.088 0.000 0.775 136 L CB -0.747 41.394 42.059 0.137 0.000 0.913 136 L HN 0.407 nan 8.230 nan 0.000 0.440 137 A N -0.127 122.704 122.820 0.018 0.000 1.930 137 A HA -0.046 4.272 4.320 -0.003 0.000 0.215 137 A C 2.163 179.731 177.584 -0.027 0.000 1.176 137 A CA 1.216 53.264 52.037 0.018 0.000 0.632 137 A CB -0.276 18.752 19.000 0.048 0.000 0.819 137 A HN 0.319 nan 8.150 nan 0.000 0.445 138 I N -1.048 119.474 120.570 -0.079 0.000 2.499 138 I HA -0.073 4.095 4.170 -0.003 0.000 0.243 138 I C 2.167 178.150 176.117 -0.223 0.000 1.085 138 I CA 0.591 61.825 61.300 -0.110 0.000 1.422 138 I CB -0.131 37.828 38.000 -0.068 0.000 1.165 138 I HN 0.082 nan 8.210 nan 0.000 0.440 139 V N 0.172 119.835 119.914 -0.418 0.000 2.626 139 V HA -0.200 3.918 4.120 -0.003 0.000 0.252 139 V C 0.954 176.536 176.094 -0.855 0.000 1.067 139 V CA 1.431 63.315 62.300 -0.693 0.000 1.081 139 V CB -0.844 30.343 31.823 -1.059 0.000 0.686 139 V HN 0.435 nan 8.190 nan 0.000 0.468 140 H N -0.567 118.350 119.070 -0.255 0.000 2.534 140 H HA 0.634 5.188 4.556 -0.003 0.000 0.250 140 H C 0.552 175.825 175.328 -0.091 0.000 1.256 140 H CA 0.192 56.149 56.048 -0.152 0.000 1.000 140 H CB 0.253 29.932 29.762 -0.139 0.000 1.801 140 H HN 0.434 nan 8.280 nan 0.000 0.569 146 R N 1.596 122.103 120.500 0.013 0.000 2.575 146 R HA 0.406 4.745 4.340 -0.003 0.000 0.281 146 R C -1.956 174.358 176.300 0.023 0.000 1.272 146 R CA -1.425 54.687 56.100 0.021 0.000 1.417 146 R CB 0.689 31.004 30.300 0.024 0.000 1.121 146 R HN 0.322 nan 8.270 nan 0.000 0.583 147 P HA 0.173 nan 4.420 nan 0.000 0.256 147 P C 0.310 177.641 177.300 0.052 0.000 1.384 147 P CA -0.103 63.012 63.100 0.026 0.000 0.879 147 P CB 0.314 32.016 31.700 0.003 0.000 1.403 148 R N 0.183 120.721 120.500 0.063 0.000 2.119 148 R HA 0.056 4.395 4.340 -0.003 0.000 0.222 148 R C 2.042 178.398 176.300 0.095 0.000 1.088 148 R CA 0.669 56.825 56.100 0.094 0.000 0.984 148 R CB -0.131 30.223 30.300 0.090 0.000 0.884 148 R HN 0.038 nan 8.270 nan 0.000 0.447 149 K N 0.972 121.411 120.400 0.066 0.000 2.063 149 K HA -0.138 4.180 4.320 -0.003 0.000 0.208 149 K C 2.064 178.713 176.600 0.081 0.000 1.048 149 K CA 1.073 57.395 56.287 0.057 0.000 0.928 149 K CB -0.290 32.236 32.500 0.043 0.000 0.713 149 K HN 0.221 nan 8.250 nan 0.000 0.442 150 L N 0.863 122.139 121.223 0.089 0.000 2.017 150 L HA -0.207 4.131 4.340 -0.003 0.000 0.208 150 L C 2.414 179.384 176.870 0.165 0.000 1.073 150 L CA 1.015 55.920 54.840 0.109 0.000 0.745 150 L CB -0.229 41.883 42.059 0.089 0.000 0.894 150 L HN 0.148 nan 8.230 nan 0.000 0.432 151 L N -0.977 120.366 121.223 0.200 0.000 1.976 151 L HA -0.218 4.120 4.340 -0.003 0.000 0.209 151 L C 2.727 179.820 176.870 0.372 0.000 1.071 151 L CA 1.451 56.497 54.840 0.344 0.000 0.746 151 L CB -0.708 41.566 42.059 0.358 0.000 0.890 151 L HN 0.265 nan 8.230 nan 0.000 0.432 152 A N -0.771 122.183 122.820 0.223 0.000 2.014 152 A HA -0.146 4.173 4.320 -0.003 0.000 0.218 152 A C 2.072 179.673 177.584 0.029 0.000 1.163 152 A CA 1.350 53.357 52.037 -0.050 0.000 0.652 152 A CB -0.240 18.556 19.000 -0.340 0.000 0.808 152 A HN 0.487 nan 8.150 nan 0.000 0.449 153 E N -1.318 118.957 120.200 0.124 0.000 2.307 153 E HA 0.039 4.387 4.350 -0.003 0.000 0.195 153 E C 1.099 177.877 176.600 0.297 0.000 0.975 153 E CA 0.461 56.977 56.400 0.194 0.000 0.878 153 E CB 0.240 30.010 29.700 0.117 0.000 0.845 153 E HN 0.333 nan 8.360 nan 0.000 0.488 154 K N -0.255 120.303 120.400 0.263 0.000 2.544 154 K HA 0.155 4.474 4.320 -0.003 0.000 0.213 154 K C 1.815 178.590 176.600 0.292 0.000 1.392 154 K CA 0.258 56.713 56.287 0.279 0.000 0.980 154 K CB 0.976 33.571 32.500 0.158 0.000 1.177 154 K HN -0.070 nan 8.250 nan 0.000 0.570 155 V N 1.305 121.374 119.914 0.257 0.000 2.379 155 V HA -0.090 4.028 4.120 -0.003 0.000 0.243 155 V C 2.224 178.411 176.094 0.155 0.000 1.035 155 V CA 1.116 63.569 62.300 0.256 0.000 1.035 155 V CB -0.264 31.763 31.823 0.340 0.000 0.673 155 V HN -0.006 nan 8.190 nan 0.000 0.457 156 V N -0.324 119.587 119.914 -0.006 0.000 2.511 156 V HA -0.356 3.763 4.120 -0.003 0.000 0.257 156 V C 2.130 178.053 176.094 -0.286 0.000 1.088 156 V CA 2.404 64.430 62.300 -0.456 0.000 1.098 156 V CB -0.438 31.089 31.823 -0.492 0.000 0.674 156 V HN 0.655 nan 8.190 nan 0.000 0.470 157 Y N -1.102 119.266 120.300 0.114 0.000 2.201 157 Y HA -0.012 4.537 4.550 -0.002 0.000 0.292 157 Y C 2.402 178.377 175.900 0.125 0.000 1.119 157 Y CA 1.669 59.895 58.100 0.210 0.000 1.127 157 Y CB -0.639 37.920 38.460 0.165 0.000 1.019 157 Y HN 0.060 nan 8.280 nan 0.000 0.514 158 V N -0.357 119.700 119.914 0.239 0.000 2.407 158 V HA -0.233 3.885 4.120 -0.003 0.000 0.248 158 V C 2.292 178.424 176.094 0.063 0.000 1.055 158 V CA 2.131 64.514 62.300 0.139 0.000 1.049 158 V CB -1.275 30.626 31.823 0.130 0.000 0.662 158 V HN 0.602 nan 8.190 nan 0.000 0.455 159 G N -1.470 107.351 108.800 0.034 0.000 2.545 159 G HA2 0.041 3.999 3.960 -0.003 0.000 0.212 159 G HA3 0.041 3.999 3.960 -0.003 0.000 0.212 159 G C 1.381 176.169 174.900 -0.186 0.000 1.144 159 G CA 1.087 46.177 45.100 -0.017 0.000 0.813 159 G HN 0.365 nan 8.290 nan 0.000 0.531 160 V N -1.268 118.481 119.914 -0.276 0.000 2.870 160 V HA 0.169 4.287 4.120 -0.003 0.000 0.232 160 V C 2.154 178.063 176.094 -0.308 0.000 1.161 160 V CA 0.460 62.519 62.300 -0.403 0.000 1.204 160 V CB -0.568 30.886 31.823 -0.615 0.000 1.003 160 V HN 0.432 nan 8.190 nan 0.000 0.499 161 W N 0.229 121.471 121.300 -0.096 0.000 2.355 161 W HA -0.099 4.559 4.660 -0.002 0.000 0.309 161 W C 2.286 178.825 176.519 0.034 0.000 1.206 161 W CA 0.851 58.198 57.345 0.004 0.000 1.284 161 W CB -0.229 29.270 29.460 0.065 0.000 1.145 161 W HN 0.126 nan 8.180 nan 0.000 0.502 162 I N 0.225 120.945 120.570 0.251 0.000 2.202 162 I HA -0.162 4.006 4.170 -0.003 0.000 0.242 162 I C -0.623 175.539 176.117 0.076 0.000 1.091 162 I CA 1.310 62.709 61.300 0.164 0.000 1.368 162 I CB -2.780 35.303 38.000 0.137 0.000 1.058 162 I HN -0.107 nan 8.210 nan 0.000 0.410 163 P HA -0.069 nan 4.420 nan 0.000 0.218 163 P C 1.688 178.932 177.300 -0.093 0.000 1.149 163 P CA 1.715 64.758 63.100 -0.095 0.000 0.817 163 P CB 0.011 31.580 31.700 -0.219 0.000 0.785 164 A N -0.729 122.056 122.820 -0.059 0.000 1.933 164 A HA -0.156 4.162 4.320 -0.003 0.000 0.218 164 A C 2.143 179.796 177.584 0.116 0.000 1.175 164 A CA 1.430 53.487 52.037 0.032 0.000 0.628 164 A CB -1.583 17.420 19.000 0.005 0.000 0.814 164 A HN 0.134 nan 8.150 nan 0.000 0.444 165 L N -0.884 120.421 121.223 0.136 0.000 2.072 165 L HA -0.081 4.258 4.340 -0.003 0.000 0.205 165 L C 2.436 179.385 176.870 0.131 0.000 1.079 165 L CA 0.792 55.725 54.840 0.155 0.000 0.752 165 L CB -0.493 41.685 42.059 0.198 0.000 0.906 165 L HN 0.325 nan 8.230 nan 0.000 0.436 166 L N -0.766 120.517 121.223 0.100 0.000 2.127 166 L HA -0.218 4.120 4.340 -0.003 0.000 0.211 166 L C 2.089 179.003 176.870 0.074 0.000 1.089 166 L CA 0.584 55.477 54.840 0.089 0.000 0.757 166 L CB -0.393 41.697 42.059 0.053 0.000 0.899 166 L HN 0.240 nan 8.230 nan 0.000 0.434 167 L N -0.906 120.341 121.223 0.040 0.000 2.610 167 L HA -0.054 4.285 4.340 -0.003 0.000 0.232 167 L C 2.106 179.035 176.870 0.098 0.000 1.149 167 L CA 1.434 56.299 54.840 0.041 0.000 0.872 167 L CB -0.908 41.101 42.059 -0.084 0.000 0.992 167 L HN 0.090 nan 8.230 nan 0.000 0.447 168 T N -1.649 112.941 114.554 0.061 0.000 3.060 168 T HA 0.158 4.507 4.350 -0.003 0.000 0.249 168 T C 1.920 176.588 174.700 -0.053 0.000 1.079 168 T CA 0.031 62.096 62.100 -0.059 0.000 1.013 168 T CB 0.117 68.882 68.868 -0.172 0.000 0.975 168 T HN 0.133 nan 8.240 nan 0.000 0.518 169 I N 2.190 122.843 120.570 0.139 0.000 2.163 169 I HA -0.096 4.072 4.170 -0.003 0.000 0.243 169 I C -0.832 175.372 176.117 0.145 0.000 1.085 169 I CA 1.275 62.727 61.300 0.252 0.000 1.347 169 I CB -1.062 37.064 38.000 0.210 0.000 1.044 169 I HN 0.175 nan 8.210 nan 0.000 0.408 170 P HA -0.086 nan 4.420 nan 0.000 0.226 170 P C 0.508 177.858 177.300 0.084 0.000 1.153 170 P CA 1.312 64.433 63.100 0.034 0.000 0.777 170 P CB -0.072 31.281 31.700 -0.579 0.000 0.794 171 D N -2.134 118.256 120.400 -0.016 0.000 2.305 171 D HA 0.035 4.674 4.640 -0.003 0.000 0.206 171 D C 1.387 177.642 176.300 -0.076 0.000 0.974 171 D CA 0.518 54.482 54.000 -0.060 0.000 0.871 171 D CB -0.478 40.280 40.800 -0.070 0.000 0.947 171 D HN 0.149 nan 8.370 nan 0.000 0.516 172 F N 0.442 120.358 119.950 -0.057 0.000 2.187 172 F HA -0.062 4.463 4.527 -0.002 0.000 0.295 172 F C 1.905 177.618 175.800 -0.145 0.000 1.091 172 F CA 0.250 58.200 58.000 -0.084 0.000 1.308 172 F CB 0.232 39.204 39.000 -0.046 0.000 1.030 172 F HN -0.050 nan 8.300 nan 0.000 0.487 173 I N -0.678 119.885 120.570 -0.013 0.000 2.206 173 I HA -0.226 3.943 4.170 -0.003 0.000 0.239 173 I C 2.141 177.978 176.117 -0.467 0.000 1.078 173 I CA 1.746 62.857 61.300 -0.315 0.000 1.367 173 I CB -1.539 36.144 38.000 -0.529 0.000 1.078 173 I HN 0.056 nan 8.210 nan 0.000 0.413 174 F N 1.514 121.352 119.950 -0.187 0.000 2.367 174 F HA 0.156 4.681 4.527 -0.002 0.000 0.298 174 F C 1.668 177.255 175.800 -0.355 0.000 1.094 174 F CA 0.206 57.999 58.000 -0.345 0.000 1.409 174 F CB -0.535 38.083 39.000 -0.637 0.000 1.064 174 F HN -0.094 nan 8.300 nan 0.000 0.528 175 A N 1.458 124.133 122.820 -0.243 0.000 2.451 175 A HA 0.317 4.635 4.320 -0.003 0.000 0.266 175 A C -0.019 177.473 177.584 -0.152 0.000 1.119 175 A CA -0.037 51.774 52.037 -0.377 0.000 0.786 175 A CB -0.317 18.308 19.000 -0.626 0.000 1.061 175 A HN 0.327 nan 8.150 nan 0.000 0.503 176 N N 0.790 119.480 118.700 -0.015 0.000 2.610 176 N HA 0.428 5.166 4.740 -0.003 0.000 0.264 176 N C -1.563 174.011 175.510 0.108 0.000 1.348 176 N CA -0.540 52.544 53.050 0.057 0.000 0.819 176 N CB 2.124 40.639 38.487 0.047 0.000 1.521 176 N HN 0.280 nan 8.380 nan 0.000 0.497 177 V N 1.168 121.110 119.914 0.047 0.000 2.394 177 V HA 0.486 4.605 4.120 -0.003 0.000 0.282 177 V C 0.224 176.332 176.094 0.024 0.000 1.031 177 V CA -0.357 61.980 62.300 0.063 0.000 0.881 177 V CB 0.962 32.860 31.823 0.125 0.000 0.982 177 V HN 0.808 nan 8.190 nan 0.000 0.451 178 S N 2.972 118.690 115.700 0.029 0.000 2.548 178 S HA 0.580 5.049 4.470 -0.003 0.000 0.286 178 S C -0.821 173.802 174.600 0.038 0.000 1.098 178 S CA -0.827 57.321 58.200 -0.087 0.000 0.930 178 S CB 2.009 64.924 63.200 -0.475 0.000 1.070 178 S HN 0.752 nan 8.310 nan 0.000 0.480 179 E N 1.060 121.256 120.200 -0.007 0.000 2.223 179 E HA 0.560 4.908 4.350 -0.003 0.000 0.282 179 E C -0.662 175.888 176.600 -0.083 0.000 1.046 179 E CA -0.416 55.938 56.400 -0.077 0.000 0.857 179 E CB 0.727 30.360 29.700 -0.111 0.000 1.055 179 E HN 0.888 nan 8.360 nan 0.000 0.409 180 A N 4.663 127.437 122.820 -0.076 0.000 2.513 180 A HA 0.313 4.631 4.320 -0.003 0.000 0.296 180 A C -0.564 176.991 177.584 -0.048 0.000 1.052 180 A CA -0.519 51.489 52.037 -0.048 0.000 0.714 180 A CB 1.274 20.278 19.000 0.007 0.000 1.279 180 A HN 0.752 nan 8.150 nan 0.000 0.397 181 D N 1.345 121.716 120.400 -0.048 0.000 2.716 181 D HA -0.180 4.459 4.640 -0.003 0.000 0.239 181 D C 0.277 176.544 176.300 -0.056 0.000 1.125 181 D CA 2.023 56.003 54.000 -0.034 0.000 0.681 181 D CB -0.638 40.163 40.800 0.001 0.000 1.070 181 D HN 1.066 nan 8.370 nan 0.000 0.432 182 D N -0.818 119.528 120.400 -0.091 0.000 2.811 182 D HA -0.241 4.398 4.640 -0.003 0.000 0.231 182 D C -0.112 176.085 176.300 -0.173 0.000 1.157 182 D CA 1.631 55.559 54.000 -0.121 0.000 0.716 182 D CB -0.251 40.505 40.800 -0.073 0.000 1.077 182 D HN 0.634 nan 8.370 nan 0.000 0.428 183 R N -0.829 119.540 120.500 -0.217 0.000 2.781 183 R HA 0.471 4.809 4.340 -0.003 0.000 0.269 183 R C -1.201 174.919 176.300 -0.300 0.000 1.025 183 R CA -0.758 55.202 56.100 -0.233 0.000 0.914 183 R CB 0.969 31.222 30.300 -0.078 0.000 1.236 183 R HN -0.003 nan 8.270 nan 0.000 0.465 184 Y N 1.779 122.074 120.300 -0.010 0.000 2.335 184 Y HA 0.407 4.956 4.550 -0.003 0.000 0.339 184 Y C 0.218 176.151 175.900 0.055 0.000 0.987 184 Y CA -0.676 57.444 58.100 0.033 0.000 1.140 184 Y CB 1.190 39.694 38.460 0.072 0.000 1.173 184 Y HN 0.177 nan 8.280 nan 0.000 0.486 185 I N 3.408 124.085 120.570 0.178 0.000 2.377 185 I HA 0.227 4.395 4.170 -0.003 0.000 0.293 185 I C -0.282 175.855 176.117 0.033 0.000 0.987 185 I CA -0.838 60.525 61.300 0.106 0.000 1.185 185 I CB 1.311 39.400 38.000 0.148 0.000 1.341 185 I HN 0.675 nan 8.210 nan 0.000 0.455 186 c N 8.257 126.709 118.600 -0.247 0.000 2.291 186 c HA 0.756 5.325 4.570 -0.003 0.000 0.322 186 c C -0.534 173.351 174.090 -0.342 0.000 1.205 186 c CA -0.118 55.912 56.329 -0.499 0.000 1.495 186 c CB -0.629 40.946 42.510 -1.559 0.000 2.127 186 c HN 0.963 nan 8.230 nan 0.000 0.452 187 D N 4.016 124.248 120.400 -0.280 0.000 2.768 187 D HA 0.283 4.922 4.640 -0.003 0.000 0.327 187 D C -1.304 174.561 176.300 -0.725 0.000 1.302 187 D CA -0.689 53.060 54.000 -0.418 0.000 0.897 187 D CB 0.861 41.439 40.800 -0.371 0.000 1.420 187 D HN 0.609 nan 8.370 nan 0.000 0.494 188 R N 0.014 120.101 120.500 -0.688 0.000 2.210 188 R HA 0.395 4.733 4.340 -0.003 0.000 0.338 188 R C -0.838 174.985 176.300 -0.796 0.000 1.062 188 R CA -0.284 55.408 56.100 -0.681 0.000 0.902 188 R CB 0.244 30.223 30.300 -0.534 0.000 1.050 188 R HN 0.157 nan 8.270 nan 0.000 0.461 189 F N 3.740 123.464 119.950 -0.376 0.000 2.334 189 F HA 0.285 4.811 4.527 -0.003 0.000 0.367 189 F C -0.121 175.541 175.800 -0.230 0.000 1.115 189 F CA -0.691 57.181 58.000 -0.214 0.000 1.116 189 F CB 0.481 39.419 39.000 -0.102 0.000 1.230 189 F HN 0.376 nan 8.300 nan 0.000 0.484 190 Y N 3.736 124.101 120.300 0.109 0.000 2.320 190 Y HA 0.297 4.846 4.550 -0.002 0.000 0.324 190 Y C -1.061 174.856 175.900 0.028 0.000 1.190 190 Y CA -1.792 56.255 58.100 -0.088 0.000 1.215 190 Y CB 0.462 38.801 38.460 -0.203 0.000 1.221 190 Y HN 0.391 nan 8.280 nan 0.000 0.486 191 P HA -0.002 nan 4.420 nan 0.000 0.231 191 P C -0.298 177.137 177.300 0.225 0.000 1.168 191 P CA 1.048 64.245 63.100 0.161 0.000 0.779 191 P CB 0.683 32.463 31.700 0.133 0.000 0.844 192 N N -0.850 118.042 118.700 0.320 0.000 2.647 192 N HA 0.105 4.843 4.740 -0.003 0.000 0.266 192 N C -0.169 175.476 175.510 0.225 0.000 1.373 192 N CA -0.435 52.786 53.050 0.285 0.000 0.807 192 N CB 1.323 40.007 38.487 0.329 0.000 1.513 192 N HN -0.349 nan 8.380 nan 0.000 0.505 193 D N 0.752 121.223 120.400 0.119 0.000 2.349 193 D HA 0.095 4.734 4.640 -0.003 0.000 0.215 193 D C 1.558 177.848 176.300 -0.016 0.000 1.016 193 D CA 0.359 54.391 54.000 0.054 0.000 0.870 193 D CB 0.785 41.611 40.800 0.044 0.000 0.917 193 D HN 0.413 nan 8.370 nan 0.000 0.524 194 L N -0.884 120.314 121.223 -0.041 0.000 2.072 194 L HA -0.072 4.266 4.340 -0.003 0.000 0.205 194 L C 2.258 178.948 176.870 -0.301 0.000 1.079 194 L CA 0.899 55.629 54.840 -0.183 0.000 0.752 194 L CB -0.412 41.498 42.059 -0.249 0.000 0.906 194 L HN 0.078 nan 8.230 nan 0.000 0.436 195 W N -0.381 120.734 121.300 -0.308 0.000 2.358 195 W HA -0.151 4.507 4.660 -0.003 0.000 0.303 195 W C 2.499 178.576 176.519 -0.737 0.000 1.208 195 W CA 0.766 57.774 57.345 -0.563 0.000 1.274 195 W CB -0.710 28.491 29.460 -0.431 0.000 1.138 195 W HN -0.184 nan 8.180 nan 0.000 0.515 196 V N -0.293 119.414 119.914 -0.345 0.000 2.332 196 V HA -0.301 3.817 4.120 -0.003 0.000 0.248 196 V C 1.924 177.916 176.094 -0.170 0.000 1.055 196 V CA 1.586 63.675 62.300 -0.351 0.000 1.038 196 V CB -1.200 30.531 31.823 -0.152 0.000 0.651 196 V HN 0.048 nan 8.190 nan 0.000 0.450 197 V N -0.513 119.316 119.914 -0.142 0.000 2.358 197 V HA -0.201 3.918 4.120 -0.003 0.000 0.246 197 V C 2.376 178.411 176.094 -0.098 0.000 1.047 197 V CA 1.802 64.055 62.300 -0.079 0.000 1.035 197 V CB -0.038 31.730 31.823 -0.093 0.000 0.658 197 V HN 0.399 nan 8.190 nan 0.000 0.452 198 V N -0.367 119.374 119.914 -0.289 0.000 2.237 198 V HA -0.244 3.875 4.120 -0.003 0.000 0.245 198 V C 2.181 178.198 176.094 -0.128 0.000 1.046 198 V CA 2.330 64.417 62.300 -0.354 0.000 1.007 198 V CB -0.776 30.616 31.823 -0.719 0.000 0.638 198 V HN 0.488 nan 8.190 nan 0.000 0.445 199 F N -0.304 119.670 119.950 0.039 0.000 2.325 199 F HA -0.058 4.467 4.527 -0.002 0.000 0.299 199 F C 2.547 178.445 175.800 0.164 0.000 1.090 199 F CA 0.649 58.708 58.000 0.099 0.000 1.392 199 F CB -0.889 38.140 39.000 0.048 0.000 1.053 199 F HN 0.138 nan 8.300 nan 0.000 0.521 200 Q N -0.771 119.190 119.800 0.269 0.000 2.123 200 Q HA -0.160 4.179 4.340 -0.003 0.000 0.199 200 Q C 2.320 178.509 176.000 0.314 0.000 0.966 200 Q CA 1.195 57.173 55.803 0.292 0.000 0.845 200 Q CB -0.682 28.184 28.738 0.214 0.000 0.907 200 Q HN 0.445 nan 8.270 nan 0.000 0.439 201 F N 1.627 121.660 119.950 0.138 0.000 2.146 201 F HA -0.178 4.347 4.527 -0.003 0.000 0.298 201 F C 2.572 178.449 175.800 0.128 0.000 1.096 201 F CA 1.474 59.537 58.000 0.105 0.000 1.275 201 F CB -0.001 39.027 39.000 0.047 0.000 1.008 201 F HN 0.085 nan 8.300 nan 0.000 0.480 202 Q N -0.946 119.088 119.800 0.390 0.000 2.124 202 Q HA -0.310 4.028 4.340 -0.003 0.000 0.202 202 Q C 2.144 178.316 176.000 0.287 0.000 0.977 202 Q CA 2.002 57.997 55.803 0.320 0.000 0.850 202 Q CB -0.343 28.621 28.738 0.377 0.000 0.901 202 Q HN 0.684 nan 8.270 nan 0.000 0.429 203 H N -0.072 119.154 119.070 0.259 0.000 2.363 203 H HA -0.051 4.504 4.556 -0.003 0.000 0.301 203 H C 1.775 177.217 175.328 0.190 0.000 1.074 203 H CA 1.603 57.823 56.048 0.286 0.000 1.354 203 H CB -0.086 29.808 29.762 0.220 0.000 1.397 203 H HN 0.192 nan 8.280 nan 0.000 0.516 204 I N 0.126 120.557 120.570 -0.232 0.000 2.226 204 I HA -0.214 3.954 4.170 -0.003 0.000 0.245 204 I C 2.425 178.389 176.117 -0.256 0.000 1.100 204 I CA 1.300 62.408 61.300 -0.321 0.000 1.374 204 I CB -0.966 36.893 38.000 -0.235 0.000 1.057 204 I HN 0.407 nan 8.210 nan 0.000 0.413 205 M N 0.304 119.760 119.600 -0.240 0.000 2.073 205 M HA -0.121 4.358 4.480 -0.003 0.000 0.259 205 M C 2.283 178.591 176.300 0.014 0.000 1.079 205 M CA 1.717 56.921 55.300 -0.161 0.000 1.131 205 M CB -0.310 32.187 32.600 -0.172 0.000 1.316 205 M HN -0.046 nan 8.290 nan 0.000 0.415 206 V N -0.175 119.793 119.914 0.090 0.000 2.295 206 V HA -0.174 3.944 4.120 -0.003 0.000 0.246 206 V C 2.372 178.710 176.094 0.407 0.000 1.049 206 V CA 2.032 64.443 62.300 0.184 0.000 1.024 206 V CB -1.926 29.847 31.823 -0.083 0.000 0.648 206 V HN 0.706 nan 8.190 nan 0.000 0.447 207 G N -0.567 108.473 108.800 0.401 0.000 2.464 207 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.214 207 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.214 207 G C 1.497 176.477 174.900 0.133 0.000 1.218 207 G CA 1.295 46.623 45.100 0.380 0.000 0.794 207 G HN 0.404 nan 8.290 nan 0.000 0.542 208 L N -0.136 121.082 121.223 -0.007 0.000 2.362 208 L HA 0.443 4.781 4.340 -0.003 0.000 0.204 208 L C 2.573 179.381 176.870 -0.103 0.000 1.060 208 L CA 0.639 55.449 54.840 -0.051 0.000 0.827 208 L CB -0.143 41.812 42.059 -0.172 0.000 1.027 208 L HN 0.231 nan 8.230 nan 0.000 0.474 209 I N -1.120 119.374 120.570 -0.128 0.000 2.110 209 I HA -0.258 3.911 4.170 -0.003 0.000 0.236 209 I C 2.257 178.318 176.117 -0.094 0.000 1.068 209 I CA 1.048 62.268 61.300 -0.133 0.000 1.333 209 I CB -0.449 37.461 38.000 -0.150 0.000 1.054 209 I HN 0.181 nan 8.210 nan 0.000 0.402 210 L N 1.280 122.494 121.223 -0.016 0.000 2.013 210 L HA -0.169 4.169 4.340 -0.003 0.000 0.212 210 L C -0.371 176.404 176.870 -0.159 0.000 1.073 210 L CA 2.527 57.401 54.840 0.057 0.000 0.753 210 L CB -1.607 40.629 42.059 0.295 0.000 0.890 210 L HN 0.192 nan 8.230 nan 0.000 0.432 211 P HA -0.035 nan 4.420 nan 0.000 0.220 211 P C 1.664 178.717 177.300 -0.412 0.000 1.152 211 P CA 1.589 64.121 63.100 -0.947 0.000 0.812 211 P CB -0.262 30.558 31.700 -1.466 0.000 0.792 212 G N 0.465 109.135 108.800 -0.216 0.000 2.440 212 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.218 212 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.218 212 G C 1.497 176.293 174.900 -0.173 0.000 1.154 212 G CA 0.677 45.685 45.100 -0.153 0.000 0.767 212 G HN 0.190 nan 8.290 nan 0.000 0.552 213 I N 0.207 120.679 120.570 -0.164 0.000 2.202 213 I HA -0.087 4.082 4.170 -0.003 0.000 0.242 213 I C 2.868 178.900 176.117 -0.142 0.000 1.091 213 I CA 0.534 61.755 61.300 -0.132 0.000 1.368 213 I CB -0.296 37.644 38.000 -0.100 0.000 1.058 213 I HN 0.036 nan 8.210 nan 0.000 0.410 214 V N 0.625 120.430 119.914 -0.181 0.000 2.255 214 V HA -0.314 3.804 4.120 -0.003 0.000 0.247 214 V C 2.363 178.332 176.094 -0.208 0.000 1.051 214 V CA 2.146 64.323 62.300 -0.204 0.000 1.018 214 V CB -0.518 31.158 31.823 -0.245 0.000 0.641 214 V HN 0.322 nan 8.190 nan 0.000 0.445 215 I N -0.713 119.745 120.570 -0.186 0.000 2.163 215 I HA -0.275 3.893 4.170 -0.003 0.000 0.243 215 I C 2.341 178.444 176.117 -0.022 0.000 1.085 215 I CA 1.624 62.864 61.300 -0.100 0.000 1.347 215 I CB -0.289 37.719 38.000 0.013 0.000 1.044 215 I HN 0.246 nan 8.210 nan 0.000 0.408 216 L N -0.433 120.767 121.223 -0.038 0.000 2.093 216 L HA -0.191 4.148 4.340 -0.003 0.000 0.208 216 L C 2.674 179.532 176.870 -0.020 0.000 1.085 216 L CA 1.160 55.996 54.840 -0.007 0.000 0.755 216 L CB -0.455 41.566 42.059 -0.063 0.000 0.904 216 L HN 0.225 nan 8.230 nan 0.000 0.435 217 S N -0.731 114.918 115.700 -0.086 0.000 2.353 217 S HA -0.209 4.260 4.470 -0.003 0.000 0.222 217 S C 2.135 176.656 174.600 -0.132 0.000 1.035 217 S CA 1.540 59.673 58.200 -0.111 0.000 1.025 217 S CB -0.393 62.714 63.200 -0.155 0.000 0.902 217 S HN 0.472 nan 8.310 nan 0.000 0.440 218 C N 0.438 119.611 119.300 -0.212 0.000 2.413 218 C HA -0.122 4.336 4.460 -0.003 0.000 0.278 218 C C 2.341 177.268 174.990 -0.105 0.000 1.224 218 C CA 0.576 59.448 59.018 -0.243 0.000 1.732 218 C CB -1.596 25.925 27.740 -0.364 0.000 2.050 218 C HN 0.640 nan 8.230 nan 0.000 0.463 219 Y N -0.513 119.794 120.300 0.012 0.000 2.274 219 Y HA -0.236 4.313 4.550 -0.003 0.000 0.290 219 Y C 2.868 178.778 175.900 0.017 0.000 1.145 219 Y CA 1.206 59.319 58.100 0.022 0.000 1.203 219 Y CB -0.409 38.055 38.460 0.006 0.000 0.984 219 Y HN 0.504 nan 8.280 nan 0.000 0.533 220 C N 0.285 119.664 119.300 0.132 0.000 2.440 220 C HA -0.138 4.321 4.460 -0.003 0.000 0.278 220 C C 2.404 177.438 174.990 0.073 0.000 1.295 220 C CA 0.952 60.015 59.018 0.074 0.000 1.738 220 C CB -1.288 26.469 27.740 0.028 0.000 1.987 220 C HN 0.527 nan 8.230 nan 0.000 0.492 221 I N 0.455 121.080 120.570 0.093 0.000 2.333 221 I HA -0.068 4.101 4.170 -0.003 0.000 0.246 221 I C 2.364 178.550 176.117 0.115 0.000 1.106 221 I CA 1.338 62.716 61.300 0.129 0.000 1.411 221 I CB -0.433 37.715 38.000 0.247 0.000 1.082 221 I HN 0.249 nan 8.210 nan 0.000 0.420 222 I N 1.376 122.030 120.570 0.140 0.000 2.127 222 I HA -0.293 3.876 4.170 -0.003 0.000 0.241 222 I C 2.542 178.704 176.117 0.076 0.000 1.075 222 I CA 1.923 63.283 61.300 0.100 0.000 1.334 222 I CB -0.404 37.690 38.000 0.157 0.000 1.040 222 I HN 0.279 nan 8.210 nan 0.000 0.405 223 I N -1.780 118.849 120.570 0.098 0.000 2.756 223 I HA -0.130 4.038 4.170 -0.003 0.000 0.262 223 I C 2.173 178.306 176.117 0.027 0.000 1.225 223 I CA 1.376 62.710 61.300 0.057 0.000 1.472 223 I CB -0.404 37.629 38.000 0.053 0.000 1.094 223 I HN -0.007 nan 8.210 nan 0.000 0.454 224 S N 0.865 116.582 115.700 0.028 0.000 2.388 224 S HA -0.015 4.453 4.470 -0.003 0.000 0.223 224 S C 1.890 176.486 174.600 -0.007 0.000 1.034 224 S CA 0.959 59.165 58.200 0.010 0.000 0.963 224 S CB -0.181 63.029 63.200 0.017 0.000 0.827 224 S HN 0.362 nan 8.310 nan 0.000 0.481 225 K N 0.783 121.174 120.400 -0.015 0.000 2.097 225 K HA 0.115 4.433 4.320 -0.003 0.000 0.205 225 K C 0.582 177.157 176.600 -0.042 0.000 1.050 225 K CA 0.397 56.658 56.287 -0.043 0.000 0.938 225 K CB -0.374 32.078 32.500 -0.079 0.000 0.718 225 K HN 0.132 nan 8.250 nan 0.000 0.442 231 G N 0.513 109.258 108.800 -0.092 0.000 2.452 231 G HA2 0.197 4.155 3.960 -0.003 0.000 0.224 231 G HA3 0.197 4.155 3.960 -0.003 0.000 0.224 231 G C -0.106 174.753 174.900 -0.068 0.000 1.208 231 G CA -0.011 45.002 45.100 -0.145 0.000 0.946 231 G HN 0.805 nan 8.290 nan 0.000 0.481 232 H N -1.146 118.023 119.070 0.165 0.000 2.367 232 H HA 0.233 4.788 4.556 -0.003 0.000 0.304 232 H C 2.277 177.654 175.328 0.082 0.000 1.023 232 H CA 0.825 56.940 56.048 0.112 0.000 1.342 232 H CB 0.416 30.252 29.762 0.125 0.000 1.486 232 H HN 0.352 nan 8.280 nan 0.000 0.596 233 Q N 1.915 121.934 119.800 0.365 0.000 2.172 233 Q HA -0.059 4.280 4.340 -0.003 0.000 0.200 233 Q C 2.598 178.689 176.000 0.153 0.000 0.964 233 Q CA 2.259 58.162 55.803 0.166 0.000 0.855 233 Q CB -0.080 28.717 28.738 0.098 0.000 0.918 233 Q HN 0.468 nan 8.270 nan 0.000 0.444 234 K N 0.633 121.140 120.400 0.178 0.000 2.148 234 K HA -0.097 4.222 4.320 -0.003 0.000 0.204 234 K C 1.954 178.614 176.600 0.101 0.000 1.050 234 K CA 1.419 57.782 56.287 0.127 0.000 0.942 234 K CB -0.511 32.061 32.500 0.120 0.000 0.724 234 K HN 0.282 nan 8.250 nan 0.000 0.446 235 R N -0.157 120.401 120.500 0.096 0.000 2.066 235 R HA -0.035 4.304 4.340 -0.003 0.000 0.232 235 R C 2.616 178.960 176.300 0.073 0.000 1.131 235 R CA 1.458 57.601 56.100 0.072 0.000 0.955 235 R CB -0.174 30.161 30.300 0.058 0.000 0.851 235 R HN 0.424 nan 8.270 nan 0.000 0.432 236 K N 0.557 121.006 120.400 0.081 0.000 2.103 236 K HA -0.115 4.203 4.320 -0.003 0.000 0.207 236 K C 2.005 178.647 176.600 0.069 0.000 1.048 236 K CA 1.356 57.685 56.287 0.070 0.000 0.930 236 K CB -0.053 32.491 32.500 0.074 0.000 0.716 236 K HN 0.138 nan 8.250 nan 0.000 0.444 237 A N 0.975 123.844 122.820 0.081 0.000 1.972 237 A HA -0.141 4.177 4.320 -0.003 0.000 0.219 237 A C 1.968 179.605 177.584 0.089 0.000 1.169 237 A CA 1.244 53.331 52.037 0.084 0.000 0.635 237 A CB -0.348 18.708 19.000 0.093 0.000 0.810 237 A HN 0.386 nan 8.150 nan 0.000 0.446 238 L N -0.649 120.631 121.223 0.095 0.000 2.162 238 L HA 0.100 4.439 4.340 -0.003 0.000 0.205 238 L C 2.113 179.039 176.870 0.093 0.000 1.086 238 L CA 2.301 57.212 54.840 0.119 0.000 0.778 238 L CB -0.423 41.711 42.059 0.124 0.000 0.928 238 L HN 0.314 nan 8.230 nan 0.000 0.446 239 K N -0.803 119.631 120.400 0.057 0.000 2.097 239 K HA -0.165 4.153 4.320 -0.003 0.000 0.206 239 K C 1.833 178.448 176.600 0.025 0.000 1.049 239 K CA 1.893 58.196 56.287 0.026 0.000 0.933 239 K CB -0.183 32.334 32.500 0.027 0.000 0.717 239 K HN 0.439 nan 8.250 nan 0.000 0.442 240 T N 0.368 114.944 114.554 0.037 0.000 2.684 240 T HA -0.118 4.231 4.350 -0.003 0.000 0.267 240 T C 1.721 176.438 174.700 0.029 0.000 1.036 240 T CA 1.976 64.089 62.100 0.022 0.000 1.148 240 T CB -0.360 68.517 68.868 0.014 0.000 0.863 240 T HN 0.374 nan 8.240 nan 0.000 0.436 241 T N 1.801 116.396 114.554 0.068 0.000 2.777 241 T HA -0.055 4.294 4.350 -0.003 0.000 0.266 241 T C 2.197 176.966 174.700 0.115 0.000 1.040 241 T CA 0.913 63.081 62.100 0.114 0.000 1.141 241 T CB -0.473 68.504 68.868 0.181 0.000 0.868 241 T HN 0.184 nan 8.240 nan 0.000 0.444 242 V N 1.326 121.261 119.914 0.036 0.000 2.307 242 V HA -0.113 4.005 4.120 -0.003 0.000 0.245 242 V C 2.381 178.458 176.094 -0.028 0.000 1.045 242 V CA 1.318 63.545 62.300 -0.121 0.000 1.024 242 V CB -0.700 30.953 31.823 -0.285 0.000 0.651 242 V HN 0.438 nan 8.190 nan 0.000 0.449 243 I N -0.382 120.191 120.570 0.005 0.000 2.118 243 I HA -0.298 3.870 4.170 -0.003 0.000 0.241 243 I C 2.448 178.609 176.117 0.073 0.000 1.070 243 I CA 1.725 63.047 61.300 0.037 0.000 1.327 243 I CB -0.480 37.541 38.000 0.034 0.000 1.034 243 I HN 0.287 nan 8.210 nan 0.000 0.405 244 L N 0.857 122.119 121.223 0.066 0.000 1.990 244 L HA -0.246 4.092 4.340 -0.003 0.000 0.213 244 L C 2.357 179.302 176.870 0.125 0.000 1.072 244 L CA 1.995 56.886 54.840 0.085 0.000 0.755 244 L CB -0.451 41.634 42.059 0.044 0.000 0.889 244 L HN 0.138 nan 8.230 nan 0.000 0.432 245 I N -1.247 119.390 120.570 0.111 0.000 2.179 245 I HA -0.337 3.831 4.170 -0.003 0.000 0.242 245 I C 2.354 178.641 176.117 0.283 0.000 1.088 245 I CA 1.426 62.807 61.300 0.135 0.000 1.357 245 I CB -0.329 37.787 38.000 0.193 0.000 1.051 245 I HN 0.275 nan 8.210 nan 0.000 0.409 246 L N 0.371 121.744 121.223 0.251 0.000 2.005 246 L HA -0.178 4.160 4.340 -0.003 0.000 0.207 246 L C 2.851 179.898 176.870 0.296 0.000 1.072 246 L CA 1.384 56.395 54.840 0.286 0.000 0.744 246 L CB -0.804 41.340 42.059 0.141 0.000 0.895 246 L HN 0.221 nan 8.230 nan 0.000 0.433 247 A N -0.365 122.592 122.820 0.228 0.000 1.978 247 A HA -0.276 4.042 4.320 -0.003 0.000 0.220 247 A C 2.186 179.931 177.584 0.268 0.000 1.170 247 A CA 1.605 53.777 52.037 0.225 0.000 0.636 247 A CB -0.852 18.265 19.000 0.196 0.000 0.810 247 A HN 0.433 nan 8.150 nan 0.000 0.448 248 F N -0.681 119.338 119.950 0.114 0.000 2.113 248 F HA -0.107 4.418 4.527 -0.003 0.000 0.297 248 F C 1.858 177.730 175.800 0.119 0.000 1.103 248 F CA 1.735 59.778 58.000 0.070 0.000 1.248 248 F CB -0.239 38.690 39.000 -0.119 0.000 0.999 248 F HN 0.211 nan 8.300 nan 0.000 0.475 249 F N 0.580 120.785 119.950 0.426 0.000 2.186 249 F HA -0.063 4.462 4.527 -0.002 0.000 0.299 249 F C 2.563 178.499 175.800 0.227 0.000 1.090 249 F CA 1.073 59.266 58.000 0.323 0.000 1.307 249 F CB -1.424 37.718 39.000 0.237 0.000 1.019 249 F HN 0.062 nan 8.300 nan 0.000 0.489 250 A N -0.926 122.097 122.820 0.339 0.000 1.933 250 A HA -0.201 4.118 4.320 -0.003 0.000 0.218 250 A C 2.317 179.988 177.584 0.145 0.000 1.175 250 A CA 1.825 53.991 52.037 0.216 0.000 0.628 250 A CB -1.471 17.631 19.000 0.171 0.000 0.814 250 A HN 0.473 nan 8.150 nan 0.000 0.444 251 C N -2.806 116.543 119.300 0.083 0.000 2.462 251 C HA -0.139 4.320 4.460 -0.003 0.000 0.278 251 C C 2.404 177.282 174.990 -0.186 0.000 1.253 251 C CA 0.706 59.667 59.018 -0.094 0.000 1.713 251 C CB -1.791 25.837 27.740 -0.187 0.000 2.049 251 C HN 0.848 nan 8.230 nan 0.000 0.477 252 W N 0.473 121.765 121.300 -0.014 0.000 2.467 252 W HA 0.055 4.713 4.660 -0.003 0.000 0.275 252 W C 2.296 178.984 176.519 0.282 0.000 1.239 252 W CA 0.200 57.580 57.345 0.058 0.000 1.266 252 W CB -0.672 28.805 29.460 0.028 0.000 1.112 252 W HN 0.202 nan 8.180 nan 0.000 0.576 253 L N 1.950 123.470 121.223 0.494 0.000 1.997 253 L HA -0.172 4.166 4.340 -0.003 0.000 0.216 253 L C -0.622 176.446 176.870 0.331 0.000 1.074 253 L CA 2.368 57.462 54.840 0.424 0.000 0.763 253 L CB -1.910 40.314 42.059 0.276 0.000 0.890 253 L HN -0.203 nan 8.230 nan 0.000 0.434 254 P HA -0.208 nan 4.420 nan 0.000 0.217 254 P C 1.369 178.825 177.300 0.260 0.000 1.150 254 P CA 1.457 64.695 63.100 0.231 0.000 0.832 254 P CB -0.321 31.518 31.700 0.232 0.000 0.787 255 Y N -0.973 119.402 120.300 0.125 0.000 2.200 255 Y HA -0.241 4.307 4.550 -0.002 0.000 0.290 255 Y C 2.098 178.055 175.900 0.096 0.000 1.137 255 Y CA 1.468 59.616 58.100 0.081 0.000 1.163 255 Y CB -1.035 37.435 38.460 0.016 0.000 0.988 255 Y HN -0.136 nan 8.280 nan 0.000 0.518 256 Y N -0.256 120.102 120.300 0.097 0.000 2.181 256 Y HA -0.252 4.296 4.550 -0.003 0.000 0.288 256 Y C 2.981 178.825 175.900 -0.093 0.000 1.146 256 Y CA 2.216 60.291 58.100 -0.042 0.000 1.164 256 Y CB -1.175 37.327 38.460 0.071 0.000 0.982 256 Y HN 0.184 nan 8.280 nan 0.000 0.515 257 I N -0.505 120.145 120.570 0.132 0.000 2.423 257 I HA -0.112 4.056 4.170 -0.003 0.000 0.254 257 I C 2.503 178.611 176.117 -0.015 0.000 1.151 257 I CA 2.180 63.502 61.300 0.038 0.000 1.421 257 I CB -1.675 36.355 38.000 0.050 0.000 1.079 257 I HN 0.315 nan 8.210 nan 0.000 0.431 258 G N -0.204 108.584 108.800 -0.021 0.000 2.421 258 G HA2 -0.071 3.888 3.960 -0.003 0.000 0.217 258 G HA3 -0.071 3.888 3.960 -0.003 0.000 0.217 258 G C 1.560 176.385 174.900 -0.125 0.000 1.143 258 G CA 0.998 46.073 45.100 -0.043 0.000 0.784 258 G HN 0.464 nan 8.290 nan 0.000 0.541 259 I N 2.052 122.475 120.570 -0.246 0.000 2.141 259 I HA 0.003 4.171 4.170 -0.003 0.000 0.236 259 I C 3.364 179.386 176.117 -0.158 0.000 1.071 259 I CA 1.157 62.333 61.300 -0.207 0.000 1.345 259 I CB -1.216 36.664 38.000 -0.200 0.000 1.066 259 I HN 0.287 nan 8.210 nan 0.000 0.406 260 S N 0.333 115.919 115.700 -0.189 0.000 2.413 260 S HA -0.241 4.228 4.470 -0.003 0.000 0.237 260 S C 2.217 176.617 174.600 -0.333 0.000 1.044 260 S CA 2.142 60.139 58.200 -0.338 0.000 1.024 260 S CB -0.786 62.282 63.200 -0.221 0.000 0.829 260 S HN 0.403 nan 8.310 nan 0.000 0.475 261 I N -0.016 120.470 120.570 -0.140 0.000 2.339 261 I HA -0.073 4.095 4.170 -0.003 0.000 0.245 261 I C 2.048 178.170 176.117 0.008 0.000 1.096 261 I CA 1.127 62.403 61.300 -0.040 0.000 1.408 261 I CB 0.082 38.082 38.000 0.000 0.000 1.092 261 I HN 0.356 nan 8.210 nan 0.000 0.423 262 D N 0.185 120.579 120.400 -0.010 0.000 2.350 262 D HA -0.004 4.634 4.640 -0.003 0.000 0.213 262 D C 1.999 178.334 176.300 0.058 0.000 1.031 262 D CA 0.891 54.907 54.000 0.026 0.000 0.861 262 D CB 0.566 41.374 40.800 0.013 0.000 0.926 262 D HN 0.308 nan 8.370 nan 0.000 0.520 263 S N -0.295 115.411 115.700 0.010 0.000 2.474 263 S HA -0.062 4.406 4.470 -0.003 0.000 0.235 263 S C 1.456 176.221 174.600 0.275 0.000 0.997 263 S CA 0.647 58.881 58.200 0.057 0.000 0.949 263 S CB -0.233 62.922 63.200 -0.074 0.000 0.766 263 S HN 0.066 nan 8.310 nan 0.000 0.517 264 F N 0.412 120.389 119.950 0.045 0.000 2.717 264 F HA 0.442 4.967 4.527 -0.003 0.000 0.295 264 F C 0.677 176.501 175.800 0.039 0.000 1.117 264 F CA -1.496 56.529 58.000 0.042 0.000 1.361 264 F CB -0.094 38.931 39.000 0.042 0.000 1.112 264 F HN 0.052 nan 8.300 nan 0.000 0.594 265 I N 3.139 123.842 120.570 0.222 0.000 2.494 265 I HA 0.150 4.319 4.170 -0.003 0.000 0.289 265 I C -0.255 175.919 176.117 0.096 0.000 1.106 265 I CA 0.116 61.498 61.300 0.137 0.000 1.369 265 I CB -0.224 37.837 38.000 0.101 0.000 1.410 265 I HN 0.136 nan 8.210 nan 0.000 0.523 273 G N -0.773 108.111 108.800 0.139 0.000 3.175 273 G HA2 0.389 4.347 3.960 -0.003 0.000 0.255 273 G HA3 0.389 4.347 3.960 -0.003 0.000 0.255 273 G C 0.389 175.349 174.900 0.100 0.000 1.352 273 G CA -0.066 45.091 45.100 0.094 0.000 1.037 273 G HN 0.362 nan 8.290 nan 0.000 0.556 274 c N -0.890 117.743 118.600 0.054 0.000 2.446 274 c HA 0.047 4.616 4.570 -0.003 0.000 0.279 274 c C 2.677 176.798 174.090 0.052 0.000 1.366 274 c CA 1.199 57.548 56.329 0.033 0.000 1.763 274 c CB -0.499 42.013 42.510 0.004 0.000 1.929 274 c HN 0.914 nan 8.230 nan 0.000 0.509 275 E N 0.955 121.201 120.200 0.077 0.000 2.058 275 E HA -0.230 4.118 4.350 -0.003 0.000 0.194 275 E C 1.779 178.462 176.600 0.139 0.000 0.997 275 E CA 1.562 58.017 56.400 0.092 0.000 0.801 275 E CB -0.476 29.275 29.700 0.086 0.000 0.746 275 E HN 0.586 nan 8.360 nan 0.000 0.450 276 F N 0.903 120.861 119.950 0.014 0.000 2.293 276 F HA 0.094 4.620 4.527 -0.002 0.000 0.297 276 F C 2.219 178.039 175.800 0.033 0.000 1.089 276 F CA 2.021 60.031 58.000 0.015 0.000 1.377 276 F CB -0.751 38.251 39.000 0.004 0.000 1.051 276 F HN 0.171 nan 8.300 nan 0.000 0.511 277 E N 0.593 120.719 120.200 -0.124 0.000 2.204 277 E HA -0.174 4.174 4.350 -0.003 0.000 0.194 277 E C 1.799 178.340 176.600 -0.099 0.000 0.989 277 E CA 1.445 57.733 56.400 -0.186 0.000 0.824 277 E CB -1.086 28.578 29.700 -0.061 0.000 0.756 277 E HN 0.518 nan 8.360 nan 0.000 0.477 278 N N 0.399 119.082 118.700 -0.028 0.000 2.142 278 N HA -0.128 4.610 4.740 -0.003 0.000 0.186 278 N C 2.328 177.863 175.510 0.042 0.000 1.023 278 N CA 2.381 55.451 53.050 0.034 0.000 0.852 278 N CB -0.271 38.245 38.487 0.049 0.000 0.998 278 N HN 0.687 nan 8.380 nan 0.000 0.424 279 T N -1.481 113.072 114.554 -0.002 0.000 2.904 279 T HA 0.026 4.374 4.350 -0.003 0.000 0.267 279 T C 2.194 176.899 174.700 0.009 0.000 1.059 279 T CA 0.650 62.770 62.100 0.033 0.000 1.137 279 T CB -0.588 68.307 68.868 0.045 0.000 0.879 279 T HN -0.138 nan 8.240 nan 0.000 0.467 280 V N 1.562 121.373 119.914 -0.171 0.000 2.244 280 V HA -0.148 3.970 4.120 -0.003 0.000 0.244 280 V C 2.616 178.744 176.094 0.057 0.000 1.042 280 V CA 2.093 64.296 62.300 -0.161 0.000 1.006 280 V CB -0.890 30.695 31.823 -0.398 0.000 0.641 280 V HN 0.551 nan 8.190 nan 0.000 0.446 281 H N -0.022 119.029 119.070 -0.031 0.000 2.489 281 H HA -0.097 4.458 4.556 -0.003 0.000 0.293 281 H C 2.216 177.586 175.328 0.071 0.000 1.066 281 H CA 1.680 57.746 56.048 0.031 0.000 1.305 281 H CB 0.011 29.788 29.762 0.024 0.000 1.386 281 H HN 0.310 nan 8.280 nan 0.000 0.551 282 K N -1.001 119.453 120.400 0.090 0.000 2.031 282 K HA -0.139 4.180 4.320 -0.003 0.000 0.205 282 K C 1.653 178.269 176.600 0.026 0.000 1.049 282 K CA 1.196 57.514 56.287 0.052 0.000 0.939 282 K CB -0.201 32.365 32.500 0.111 0.000 0.717 282 K HN 0.298 nan 8.250 nan 0.000 0.438 283 W N 1.061 122.326 121.300 -0.059 0.000 2.467 283 W HA 0.009 4.667 4.660 -0.002 0.000 0.275 283 W C 1.652 178.161 176.519 -0.016 0.000 1.239 283 W CA 0.726 58.040 57.345 -0.052 0.000 1.266 283 W CB -0.010 29.425 29.460 -0.041 0.000 1.112 283 W HN 0.044 nan 8.180 nan 0.000 0.576 284 I N -0.664 120.005 120.570 0.165 0.000 2.394 284 I HA -0.302 3.867 4.170 -0.003 0.000 0.251 284 I C 2.272 178.472 176.117 0.139 0.000 1.136 284 I CA 1.248 62.654 61.300 0.177 0.000 1.425 284 I CB -0.515 37.552 38.000 0.113 0.000 1.079 284 I HN -0.218 nan 8.210 nan 0.000 0.425 285 S N 0.715 116.402 115.700 -0.021 0.000 2.357 285 S HA -0.035 4.433 4.470 -0.003 0.000 0.221 285 S C 1.992 176.552 174.600 -0.067 0.000 1.031 285 S CA 1.054 59.234 58.200 -0.034 0.000 0.982 285 S CB -0.227 62.926 63.200 -0.077 0.000 0.853 285 S HN 0.302 nan 8.310 nan 0.000 0.458 286 I N 2.094 122.548 120.570 -0.192 0.000 2.142 286 I HA -0.198 3.970 4.170 -0.003 0.000 0.240 286 I C 2.911 178.892 176.117 -0.225 0.000 1.078 286 I CA 1.623 62.740 61.300 -0.306 0.000 1.343 286 I CB -0.975 36.540 38.000 -0.808 0.000 1.046 286 I HN 0.400 nan 8.210 nan 0.000 0.405 287 T N -1.790 112.656 114.554 -0.181 0.000 2.833 287 T HA -0.241 4.108 4.350 -0.003 0.000 0.269 287 T C 1.711 176.247 174.700 -0.274 0.000 1.054 287 T CA 1.516 63.559 62.100 -0.095 0.000 1.135 287 T CB -0.430 68.532 68.868 0.157 0.000 0.869 287 T HN 0.452 nan 8.240 nan 0.000 0.466 288 E N 1.306 121.283 120.200 -0.372 0.000 2.107 288 E HA 0.007 4.355 4.350 -0.003 0.000 0.191 288 E C 2.462 178.364 176.600 -1.163 0.000 0.982 288 E CA 0.787 56.641 56.400 -0.909 0.000 0.809 288 E CB -0.349 28.954 29.700 -0.661 0.000 0.756 288 E HN 0.635 nan 8.360 nan 0.000 0.459 289 A N 1.029 123.496 122.820 -0.588 0.000 1.898 289 A HA -0.115 4.203 4.320 -0.003 0.000 0.216 289 A C 2.153 179.524 177.584 -0.354 0.000 1.181 289 A CA 0.939 52.762 52.037 -0.357 0.000 0.620 289 A CB -0.540 18.378 19.000 -0.136 0.000 0.819 289 A HN 0.282 nan 8.150 nan 0.000 0.442 290 L N -0.852 120.182 121.223 -0.315 0.000 2.217 290 L HA -0.095 4.244 4.340 -0.003 0.000 0.211 290 L C 2.963 179.648 176.870 -0.309 0.000 1.107 290 L CA 0.726 55.425 54.840 -0.236 0.000 0.783 290 L CB -0.424 41.529 42.059 -0.176 0.000 0.919 290 L HN 0.419 nan 8.230 nan 0.000 0.442 291 A N -0.014 122.434 122.820 -0.620 0.000 2.019 291 A HA -0.181 4.137 4.320 -0.003 0.000 0.219 291 A C 1.805 179.037 177.584 -0.587 0.000 1.164 291 A CA 1.174 52.650 52.037 -0.935 0.000 0.644 291 A CB -0.663 17.220 19.000 -1.862 0.000 0.805 291 A HN 0.337 nan 8.150 nan 0.000 0.449 292 F N -1.241 118.530 119.950 -0.299 0.000 2.583 292 F HA -0.036 4.490 4.527 -0.002 0.000 0.297 292 F C 1.565 177.299 175.800 -0.109 0.000 1.131 292 F CA -0.290 57.653 58.000 -0.095 0.000 1.467 292 F CB -1.277 37.734 39.000 0.019 0.000 1.097 292 F HN 0.412 nan 8.300 nan 0.000 0.586 293 F N 1.091 121.012 119.950 -0.050 0.000 2.451 293 F HA -0.164 4.362 4.527 -0.002 0.000 0.299 293 F C 2.574 178.353 175.800 -0.035 0.000 1.101 293 F CA 1.311 59.279 58.000 -0.054 0.000 1.436 293 F CB -0.626 38.334 39.000 -0.067 0.000 1.074 293 F HN 0.251 nan 8.300 nan 0.000 0.553 294 H N -2.395 116.666 119.070 -0.016 0.000 2.456 294 H HA -0.146 4.409 4.556 -0.003 0.000 0.296 294 H C 2.009 177.370 175.328 0.054 0.000 1.079 294 H CA 1.696 57.738 56.048 -0.010 0.000 1.322 294 H CB -1.449 28.244 29.762 -0.115 0.000 1.388 294 H HN 0.289 nan 8.280 nan 0.000 0.538 295 C N -0.054 118.952 119.300 -0.490 0.000 2.440 295 C HA -0.045 4.414 4.460 -0.003 0.000 0.278 295 C C 2.605 177.487 174.990 -0.180 0.000 1.295 295 C CA 0.663 59.513 59.018 -0.279 0.000 1.738 295 C CB -0.829 26.769 27.740 -0.236 0.000 1.987 295 C HN 0.818 nan 8.230 nan 0.000 0.492 296 C N 0.508 119.620 119.300 -0.313 0.000 2.576 296 C HA 0.159 4.617 4.460 -0.003 0.000 0.267 296 C C 2.411 177.148 174.990 -0.422 0.000 1.364 296 C CA 0.106 58.895 59.018 -0.381 0.000 1.723 296 C CB -1.895 25.542 27.740 -0.504 0.000 1.778 296 C HN 0.605 nan 8.230 nan 0.000 0.572 297 L N 1.334 122.362 121.223 -0.326 0.000 2.007 297 L HA -0.102 4.236 4.340 -0.003 0.000 0.205 297 L C 2.649 179.491 176.870 -0.046 0.000 1.073 297 L CA 1.663 56.403 54.840 -0.167 0.000 0.744 297 L CB -0.644 41.414 42.059 -0.001 0.000 0.898 297 L HN 0.322 nan 8.230 nan 0.000 0.435 298 N N -0.165 118.544 118.700 0.016 0.000 2.036 298 N HA -0.166 4.572 4.740 -0.003 0.000 0.195 298 N C -0.915 174.659 175.510 0.107 0.000 1.037 298 N CA 1.888 54.969 53.050 0.052 0.000 0.855 298 N CB -0.919 37.641 38.487 0.121 0.000 1.033 298 N HN 0.100 nan 8.380 nan 0.000 0.423 299 P HA -0.045 nan 4.420 nan 0.000 0.217 299 P C 1.323 178.694 177.300 0.118 0.000 1.151 299 P CA 0.747 63.933 63.100 0.144 0.000 0.828 299 P CB 0.077 31.808 31.700 0.051 0.000 0.788 300 I N -0.775 119.819 120.570 0.040 0.000 2.286 300 I HA -0.165 4.003 4.170 -0.003 0.000 0.248 300 I C 2.194 178.357 176.117 0.078 0.000 1.115 300 I CA 1.212 62.543 61.300 0.051 0.000 1.392 300 I CB -1.311 36.690 38.000 0.001 0.000 1.065 300 I HN 0.008 nan 8.210 nan 0.000 0.418 301 L N -0.442 120.802 121.223 0.035 0.000 2.083 301 L HA -0.244 4.094 4.340 -0.003 0.000 0.209 301 L C 2.520 179.384 176.870 -0.011 0.000 1.083 301 L CA 1.910 56.742 54.840 -0.012 0.000 0.752 301 L CB -0.892 41.110 42.059 -0.095 0.000 0.899 301 L HN 0.179 nan 8.230 nan 0.000 0.433 302 Y N 0.300 120.635 120.300 0.057 0.000 2.293 302 Y HA 0.035 4.584 4.550 -0.002 0.000 0.291 302 Y C 1.748 177.678 175.900 0.050 0.000 1.137 302 Y CA 0.295 58.425 58.100 0.050 0.000 1.202 302 Y CB -0.629 37.852 38.460 0.035 0.000 0.990 302 Y HN 0.147 nan 8.280 nan 0.000 0.537 303 A N 0.268 123.216 122.820 0.213 0.000 2.498 303 A HA 0.299 4.617 4.320 -0.003 0.000 0.239 303 A C -0.097 177.638 177.584 0.251 0.000 1.068 303 A CA -0.435 51.706 52.037 0.173 0.000 0.766 303 A CB -0.833 18.286 19.000 0.199 0.000 1.003 303 A HN 0.341 nan 8.150 nan 0.000 0.497 1003 I N -0.034 120.318 120.570 -0.364 0.000 2.353 1003 I HA 0.076 4.244 4.170 -0.003 0.000 0.248 1003 I C 1.787 177.871 176.117 -0.055 0.000 1.119 1003 I CA 0.987 62.230 61.300 -0.095 0.000 1.417 1003 I CB -0.075 38.028 38.000 0.172 0.000 1.078 1003 I HN 0.209 nan 8.210 nan 0.000 0.421 1004 F N 2.196 121.982 119.950 -0.273 0.000 2.134 1004 F HA -0.245 4.280 4.527 -0.002 0.000 0.299 1004 F C 2.418 177.887 175.800 -0.552 0.000 1.097 1004 F CA 1.795 59.334 58.000 -0.768 0.000 1.264 1004 F CB -0.308 38.358 39.000 -0.557 0.000 1.001 1004 F HN 0.089 nan 8.300 nan 0.000 0.479 1005 E N 0.304 120.291 120.200 -0.355 0.000 2.110 1005 E HA -0.292 4.057 4.350 -0.003 0.000 0.193 1005 E C 2.343 178.778 176.600 -0.276 0.000 0.988 1005 E CA 1.601 57.803 56.400 -0.330 0.000 0.804 1005 E CB -0.720 28.844 29.700 -0.227 0.000 0.745 1005 E HN 0.560 nan 8.360 nan 0.000 0.458 1006 M N 0.346 119.767 119.600 -0.297 0.000 2.086 1006 M HA -0.170 4.308 4.480 -0.003 0.000 0.261 1006 M C 1.869 178.141 176.300 -0.047 0.000 1.067 1006 M CA 1.402 56.570 55.300 -0.220 0.000 1.116 1006 M CB 0.042 32.427 32.600 -0.358 0.000 1.348 1006 M HN 0.049 nan 8.290 nan 0.000 0.407 1007 L N -0.048 121.037 121.223 -0.229 0.000 2.418 1007 L HA -0.012 4.327 4.340 -0.003 0.000 0.218 1007 L C 2.571 179.248 176.870 -0.322 0.000 1.125 1007 L CA 0.668 55.367 54.840 -0.235 0.000 0.835 1007 L CB -0.684 41.218 42.059 -0.262 0.000 0.953 1007 L HN 0.317 nan 8.230 nan 0.000 0.454 1008 R N 0.494 120.703 120.500 -0.485 0.000 2.115 1008 R HA -0.072 4.267 4.340 -0.003 0.000 0.226 1008 R C 2.014 178.179 176.300 -0.225 0.000 1.100 1008 R CA 1.571 57.385 56.100 -0.476 0.000 0.980 1008 R CB -0.181 29.724 30.300 -0.659 0.000 0.875 1008 R HN 0.344 nan 8.270 nan 0.000 0.445 1009 I N 0.823 121.321 120.570 -0.121 0.000 2.339 1009 I HA -0.178 3.990 4.170 -0.003 0.000 0.245 1009 I C 1.722 177.831 176.117 -0.014 0.000 1.096 1009 I CA 1.039 62.315 61.300 -0.040 0.000 1.408 1009 I CB -0.257 37.761 38.000 0.031 0.000 1.092 1009 I HN 0.032 nan 8.210 nan 0.000 0.423 1010 D N 0.620 121.044 120.400 0.040 0.000 2.091 1010 D HA -0.183 4.456 4.640 -0.003 0.000 0.199 1010 D C 1.930 178.262 176.300 0.053 0.000 0.980 1010 D CA 1.366 55.408 54.000 0.071 0.000 0.831 1010 D CB -0.129 40.764 40.800 0.153 0.000 0.987 1010 D HN 0.337 nan 8.370 nan 0.000 0.460 1011 E N -0.317 119.899 120.200 0.026 0.000 2.460 1011 E HA 0.283 4.632 4.350 -0.003 0.000 0.200 1011 E C 0.200 176.806 176.600 0.010 0.000 1.011 1011 E CA 0.179 56.609 56.400 0.050 0.000 0.912 1011 E CB 0.629 30.389 29.700 0.100 0.000 0.953 1011 E HN 0.222 nan 8.360 nan 0.000 0.494 1012 G N 1.286 110.055 108.800 -0.051 0.000 2.722 1012 G HA2 -0.221 3.738 3.960 -0.003 0.000 0.686 1012 G HA3 -0.221 3.738 3.960 -0.003 0.000 0.686 1012 G C -1.114 173.727 174.900 -0.098 0.000 1.282 1012 G CA -0.276 44.775 45.100 -0.082 0.000 0.817 1012 G HN 0.145 nan 8.290 nan 0.000 0.605 1013 L N 2.060 123.211 121.223 -0.121 0.000 2.341 1013 L HA 0.935 5.274 4.340 -0.003 0.000 0.278 1013 L C -0.075 176.757 176.870 -0.063 0.000 1.005 1013 L CA -0.939 53.845 54.840 -0.094 0.000 0.818 1013 L CB 1.488 43.457 42.059 -0.150 0.000 1.259 1013 L HN 0.687 nan 8.230 nan 0.000 0.418 1014 R N 6.035 126.532 120.500 -0.006 0.000 2.502 1014 R HA 0.392 4.730 4.340 -0.003 0.000 0.300 1014 R C -0.477 175.890 176.300 0.112 0.000 0.984 1014 R CA -0.444 55.654 56.100 -0.003 0.000 0.882 1014 R CB 1.473 31.669 30.300 -0.174 0.000 1.180 1014 R HN 0.752 nan 8.270 nan 0.000 0.444 1015 L N 1.529 122.802 121.223 0.084 0.000 2.688 1015 L HA 0.298 4.636 4.340 -0.003 0.000 0.234 1015 L C 0.452 177.386 176.870 0.106 0.000 1.192 1015 L CA 0.376 55.275 54.840 0.098 0.000 0.984 1015 L CB -0.048 42.051 42.059 0.067 0.000 1.232 1015 L HN 0.302 nan 8.230 nan 0.000 0.465 1016 K N 0.166 120.653 120.400 0.146 0.000 2.527 1016 K HA 0.452 4.770 4.320 -0.003 0.000 0.260 1016 K C -0.850 175.885 176.600 0.224 0.000 0.937 1016 K CA -0.886 55.488 56.287 0.144 0.000 0.826 1016 K CB 2.251 34.815 32.500 0.106 0.000 1.359 1016 K HN -0.164 nan 8.250 nan 0.000 0.434 1017 I N 4.628 125.287 120.570 0.149 0.000 2.662 1017 I HA 0.014 4.182 4.170 -0.003 0.000 0.285 1017 I C -0.176 176.038 176.117 0.161 0.000 1.161 1017 I CA 0.474 61.834 61.300 0.100 0.000 1.415 1017 I CB -0.421 37.603 38.000 0.041 0.000 1.385 1017 I HN 0.407 nan 8.210 nan 0.000 0.552 1018 Y N 3.761 124.093 120.300 0.054 0.000 2.634 1018 Y HA 0.623 5.172 4.550 -0.003 0.000 0.340 1018 Y C -0.461 175.473 175.900 0.056 0.000 1.058 1018 Y CA -1.625 56.505 58.100 0.050 0.000 1.081 1018 Y CB 0.948 39.437 38.460 0.048 0.000 1.295 1018 Y HN 0.306 nan 8.280 nan 0.000 0.487 1019 K N 1.956 122.478 120.400 0.204 0.000 2.267 1019 K HA 0.329 4.647 4.320 -0.003 0.000 0.282 1019 K C -0.121 176.586 176.600 0.177 0.000 1.078 1019 K CA 0.450 56.803 56.287 0.110 0.000 0.903 1019 K CB 0.032 32.586 32.500 0.089 0.000 1.111 1019 K HN 1.059 nan 8.250 nan 0.000 0.475 1020 D N 1.618 122.075 120.400 0.095 0.000 2.349 1020 D HA -0.037 4.601 4.640 -0.003 0.000 0.239 1020 D C 0.844 177.209 176.300 0.108 0.000 1.315 1020 D CA 0.314 54.406 54.000 0.152 0.000 0.937 1020 D CB 0.136 41.005 40.800 0.116 0.000 1.133 1020 D HN 0.585 nan 8.370 nan 0.000 0.489 1021 T N -1.160 113.456 114.554 0.103 0.000 3.085 1021 T HA 0.069 4.418 4.350 -0.003 0.000 0.263 1021 T C 1.066 175.769 174.700 0.005 0.000 1.127 1021 T CA 1.363 63.499 62.100 0.060 0.000 1.103 1021 T CB 0.148 69.058 68.868 0.069 0.000 0.921 1021 T HN 0.501 nan 8.240 nan 0.000 0.510 1022 E N 0.769 120.949 120.200 -0.032 0.000 2.651 1022 E HA 0.358 4.707 4.350 -0.003 0.000 0.208 1022 E C 0.581 176.988 176.600 -0.323 0.000 0.997 1022 E CA -0.450 55.867 56.400 -0.138 0.000 1.020 1022 E CB -0.226 29.404 29.700 -0.117 0.000 1.052 1022 E HN 0.308 nan 8.360 nan 0.000 0.465 1023 G N 1.602 110.279 108.800 -0.206 0.000 2.462 1023 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.283 1023 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.283 1023 G C -0.586 174.126 174.900 -0.314 0.000 1.043 1023 G CA 0.304 45.267 45.100 -0.228 0.000 1.300 1023 G HN 0.256 nan 8.290 nan 0.000 0.518 1024 Y N -1.371 118.914 120.300 -0.025 0.000 2.390 1024 Y HA 0.448 4.996 4.550 -0.003 0.000 0.324 1024 Y C 0.668 176.506 175.900 -0.104 0.000 1.151 1024 Y CA -1.196 56.871 58.100 -0.054 0.000 1.053 1024 Y CB 1.033 39.462 38.460 -0.051 0.000 1.277 1024 Y HN 0.843 nan 8.280 nan 0.000 0.432 1025 Y N 1.808 122.148 120.300 0.067 0.000 2.605 1025 Y HA 0.463 5.011 4.550 -0.003 0.000 0.336 1025 Y C 0.292 176.085 175.900 -0.178 0.000 1.111 1025 Y CA 0.237 58.291 58.100 -0.076 0.000 1.422 1025 Y CB -0.059 38.374 38.460 -0.045 0.000 1.193 1025 Y HN 0.501 nan 8.280 nan 0.000 0.526 1026 T N 1.668 115.993 114.554 -0.382 0.000 2.901 1026 T HA 0.765 5.113 4.350 -0.003 0.000 0.293 1026 T C -0.855 173.586 174.700 -0.432 0.000 1.084 1026 T CA -0.609 61.246 62.100 -0.408 0.000 1.008 1026 T CB 2.347 70.978 68.868 -0.396 0.000 1.170 1026 T HN 1.266 nan 8.240 nan 0.000 0.509 1027 I N 0.119 120.652 120.570 -0.061 0.000 2.692 1027 I HA 0.551 4.719 4.170 -0.003 0.000 0.293 1027 I C 0.556 176.841 176.117 0.281 0.000 1.200 1027 I CA 0.458 61.854 61.300 0.161 0.000 1.036 1027 I CB 1.273 39.352 38.000 0.132 0.000 1.258 1027 I HN 1.252 nan 8.210 nan 0.000 0.421 1028 G N 6.586 115.576 108.800 0.318 0.000 2.669 1028 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.250 1028 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.250 1028 G C -0.304 174.766 174.900 0.283 0.000 1.247 1028 G CA 0.049 45.315 45.100 0.276 0.000 0.958 1028 G HN 0.702 nan 8.290 nan 0.000 0.559 1029 I N 2.654 123.406 120.570 0.303 0.000 2.442 1029 I HA 0.488 4.657 4.170 -0.003 0.000 0.279 1029 I C 1.392 177.747 176.117 0.396 0.000 1.081 1029 I CA 0.355 61.821 61.300 0.278 0.000 1.197 1029 I CB 0.659 38.755 38.000 0.159 0.000 1.394 1029 I HN 1.712 nan 8.210 nan 0.000 0.488 1030 G N 3.618 112.650 108.800 0.386 0.000 2.449 1030 G HA2 -0.343 3.615 3.960 -0.003 0.000 0.304 1030 G HA3 -0.343 3.615 3.960 -0.003 0.000 0.304 1030 G C 0.186 175.239 174.900 0.255 0.000 0.962 1030 G CA 0.429 45.720 45.100 0.320 0.000 0.943 1030 G HN 0.830 nan 8.290 nan 0.000 0.514 1031 H N -0.722 118.448 119.070 0.166 0.000 2.800 1031 H HA 0.519 5.074 4.556 -0.002 0.000 0.291 1031 H C 0.558 175.899 175.328 0.022 0.000 1.076 1031 H CA -0.906 55.208 56.048 0.110 0.000 1.452 1031 H CB 0.645 30.494 29.762 0.145 0.000 1.461 1031 H HN 0.283 nan 8.280 nan 0.000 0.488 1032 L N 5.497 126.450 121.223 -0.451 0.000 2.416 1032 L HA 0.100 4.439 4.340 -0.003 0.000 0.272 1032 L C -0.145 176.436 176.870 -0.482 0.000 1.161 1032 L CA 0.361 54.968 54.840 -0.389 0.000 0.845 1032 L CB 0.430 42.304 42.059 -0.308 0.000 1.119 1032 L HN 0.862 nan 8.230 nan 0.000 0.464 1033 L N 2.454 123.518 121.223 -0.265 0.000 2.356 1033 L HA 0.323 4.662 4.340 -0.003 0.000 0.193 1033 L C 0.832 177.617 176.870 -0.141 0.000 1.087 1033 L CA 0.443 55.186 54.840 -0.162 0.000 0.817 1033 L CB -0.105 41.908 42.059 -0.077 0.000 1.035 1033 L HN 0.709 nan 8.230 nan 0.000 0.482 1034 T N -1.137 113.330 114.554 -0.146 0.000 2.816 1034 T HA 0.356 4.704 4.350 -0.003 0.000 0.299 1034 T C -1.417 173.168 174.700 -0.192 0.000 1.230 1034 T CA -0.695 61.323 62.100 -0.136 0.000 1.007 1034 T CB 1.601 70.420 68.868 -0.081 0.000 1.289 1034 T HN -0.056 nan 8.240 nan 0.000 0.508 1035 K N 2.354 122.648 120.400 -0.177 0.000 2.356 1035 K HA 0.639 4.957 4.320 -0.003 0.000 0.243 1035 K C -1.250 175.304 176.600 -0.075 0.000 1.072 1035 K CA -0.346 55.814 56.287 -0.212 0.000 1.014 1035 K CB 0.894 33.273 32.500 -0.200 0.000 1.523 1035 K HN 0.407 nan 8.250 nan 0.000 0.455 1036 S N 1.617 117.304 115.700 -0.022 0.000 2.548 1036 S HA 0.200 4.669 4.470 -0.003 0.000 0.278 1036 S C -2.346 172.295 174.600 0.068 0.000 1.150 1036 S CA -0.896 57.319 58.200 0.025 0.000 0.907 1036 S CB 1.685 64.885 63.200 0.001 0.000 1.108 1036 S HN 0.340 nan 8.310 nan 0.000 0.459 1037 P HA 0.089 nan 4.420 nan 0.000 0.241 1037 P C 0.379 177.703 177.300 0.040 0.000 1.191 1037 P CA 0.154 63.294 63.100 0.066 0.000 0.771 1037 P CB -0.055 31.674 31.700 0.049 0.000 0.929 1038 S N -0.618 115.099 115.700 0.029 0.000 2.624 1038 S HA 0.221 4.689 4.470 -0.003 0.000 0.263 1038 S C 0.911 175.521 174.600 0.017 0.000 1.287 1038 S CA -0.642 57.570 58.200 0.019 0.000 0.990 1038 S CB 0.687 63.895 63.200 0.013 0.000 0.950 1038 S HN -0.059 nan 8.310 nan 0.000 0.561 1039 L N 0.670 121.902 121.223 0.015 0.000 2.269 1039 L HA 0.305 4.644 4.340 -0.003 0.000 0.200 1039 L C 2.064 178.941 176.870 0.011 0.000 1.069 1039 L CA 1.082 55.931 54.840 0.014 0.000 0.804 1039 L CB -0.748 41.322 42.059 0.018 0.000 0.987 1039 L HN 0.778 nan 8.230 nan 0.000 0.468 1040 N N -0.063 118.643 118.700 0.010 0.000 2.381 1040 N HA -0.086 4.653 4.740 -0.003 0.000 0.182 1040 N C 1.662 177.174 175.510 0.004 0.000 1.025 1040 N CA 1.108 54.163 53.050 0.008 0.000 0.888 1040 N CB 0.042 38.534 38.487 0.008 0.000 0.965 1040 N HN 0.479 nan 8.380 nan 0.000 0.438 1041 A N -0.208 122.613 122.820 0.001 0.000 1.968 1041 A HA 0.163 4.482 4.320 -0.003 0.000 0.217 1041 A C 2.192 179.771 177.584 -0.010 0.000 1.169 1041 A CA 1.508 53.542 52.037 -0.004 0.000 0.638 1041 A CB -0.673 18.324 19.000 -0.006 0.000 0.812 1041 A HN 0.333 nan 8.150 nan 0.000 0.446 1042 A N -0.290 122.524 122.820 -0.010 0.000 1.975 1042 A HA 0.024 4.343 4.320 -0.003 0.000 0.215 1042 A C 2.012 179.595 177.584 -0.003 0.000 1.170 1042 A CA 1.240 53.268 52.037 -0.017 0.000 0.656 1042 A CB -0.255 18.731 19.000 -0.024 0.000 0.821 1042 A HN 0.475 nan 8.150 nan 0.000 0.449 1043 K N -0.259 120.144 120.400 0.005 0.000 2.147 1043 K HA -0.087 4.232 4.320 -0.003 0.000 0.205 1043 K C 2.241 178.849 176.600 0.014 0.000 1.049 1043 K CA 1.331 57.626 56.287 0.014 0.000 0.936 1043 K CB -0.130 32.379 32.500 0.015 0.000 0.722 1043 K HN 0.426 nan 8.250 nan 0.000 0.446 1044 S N 0.903 116.608 115.700 0.008 0.000 2.414 1044 S HA -0.083 4.386 4.470 -0.003 0.000 0.227 1044 S C 1.695 176.300 174.600 0.009 0.000 1.022 1044 S CA 0.815 59.019 58.200 0.007 0.000 0.958 1044 S CB 0.031 63.233 63.200 0.003 0.000 0.797 1044 S HN 0.191 nan 8.310 nan 0.000 0.493 1045 E N 0.871 121.074 120.200 0.006 0.000 2.204 1045 E HA -0.116 4.233 4.350 -0.003 0.000 0.195 1045 E C 1.993 178.610 176.600 0.028 0.000 0.990 1045 E CA 0.661 57.065 56.400 0.008 0.000 0.821 1045 E CB -0.289 29.405 29.700 -0.010 0.000 0.750 1045 E HN 0.505 nan 8.360 nan 0.000 0.477 1046 L N 1.437 122.681 121.223 0.034 0.000 2.027 1046 L HA -0.171 4.168 4.340 -0.003 0.000 0.206 1046 L C 1.733 178.626 176.870 0.039 0.000 1.074 1046 L CA 1.572 56.443 54.840 0.051 0.000 0.745 1046 L CB -0.116 41.973 42.059 0.049 0.000 0.898 1046 L HN -0.059 nan 8.230 nan 0.000 0.433 1047 D N -0.165 120.251 120.400 0.026 0.000 2.221 1047 D HA -0.211 4.428 4.640 -0.003 0.000 0.204 1047 D C 2.038 178.348 176.300 0.017 0.000 0.982 1047 D CA 1.151 55.163 54.000 0.019 0.000 0.857 1047 D CB -0.046 40.763 40.800 0.014 0.000 0.934 1047 D HN 0.436 nan 8.370 nan 0.000 0.475 1048 K N 0.489 120.901 120.400 0.019 0.000 2.097 1048 K HA -0.051 4.267 4.320 -0.003 0.000 0.206 1048 K C 2.046 178.658 176.600 0.020 0.000 1.049 1048 K CA 1.187 57.484 56.287 0.016 0.000 0.933 1048 K CB 0.102 32.611 32.500 0.016 0.000 0.717 1048 K HN 0.040 nan 8.250 nan 0.000 0.442 1049 A N 0.658 123.496 122.820 0.031 0.000 1.920 1049 A HA 0.022 4.341 4.320 -0.003 0.000 0.209 1049 A C 1.937 179.530 177.584 0.014 0.000 1.229 1049 A CA 0.355 52.410 52.037 0.030 0.000 0.671 1049 A CB -0.068 18.967 19.000 0.059 0.000 0.886 1049 A HN 0.005 nan 8.150 nan 0.000 0.461 1050 I N -0.502 120.078 120.570 0.017 0.000 2.163 1050 I HA -0.029 4.140 4.170 -0.003 0.000 0.240 1050 I C 2.063 178.181 176.117 0.003 0.000 1.081 1050 I CA 2.036 63.340 61.300 0.007 0.000 1.353 1050 I CB -1.758 36.250 38.000 0.014 0.000 1.054 1050 I HN 0.583 nan 8.210 nan 0.000 0.407 1051 G N 1.665 110.468 108.800 0.006 0.000 2.144 1051 G HA2 -0.241 3.718 3.960 -0.003 0.000 0.218 1051 G HA3 -0.241 3.718 3.960 -0.003 0.000 0.218 1051 G C 0.381 175.283 174.900 0.002 0.000 0.988 1051 G CA 0.283 45.385 45.100 0.003 0.000 0.659 1051 G HN 0.648 nan 8.290 nan 0.000 0.522 1052 R N -1.029 119.474 120.500 0.005 0.000 2.707 1052 R HA 0.598 4.936 4.340 -0.003 0.000 0.272 1052 R C -0.903 175.402 176.300 0.008 0.000 1.011 1052 R CA -1.088 55.015 56.100 0.005 0.000 0.893 1052 R CB 0.684 30.985 30.300 0.002 0.000 1.233 1052 R HN -0.018 nan 8.270 nan 0.000 0.464 1053 N N 1.425 120.130 118.700 0.008 0.000 2.475 1053 N HA 0.036 4.775 4.740 -0.003 0.000 0.267 1053 N C 0.124 175.641 175.510 0.011 0.000 1.169 1053 N CA 0.533 53.589 53.050 0.010 0.000 0.947 1053 N CB 1.774 40.266 38.487 0.008 0.000 1.061 1053 N HN 0.845 nan 8.380 nan 0.000 0.466 1054 T N -2.055 112.508 114.554 0.015 0.000 3.098 1054 T HA 0.044 4.392 4.350 -0.003 0.000 0.246 1054 T C 0.513 175.225 174.700 0.019 0.000 0.983 1054 T CA -0.124 61.987 62.100 0.018 0.000 1.094 1054 T CB 0.268 69.150 68.868 0.024 0.000 1.035 1054 T HN 0.475 nan 8.240 nan 0.000 0.456 1055 N N 2.133 120.845 118.700 0.020 0.000 2.735 1055 N HA -0.165 4.574 4.740 -0.003 0.000 0.248 1055 N C 0.864 176.389 175.510 0.024 0.000 1.083 1055 N CA 1.314 54.375 53.050 0.020 0.000 0.703 1055 N CB -1.613 36.883 38.487 0.016 0.000 1.005 1055 N HN 1.038 nan 8.380 nan 0.000 0.550 1056 G N -2.212 106.606 108.800 0.030 0.000 2.483 1056 G HA2 -0.198 3.761 3.960 -0.003 0.000 0.196 1056 G HA3 -0.198 3.761 3.960 -0.003 0.000 0.196 1056 G C -0.421 174.505 174.900 0.042 0.000 2.335 1056 G CA -0.124 44.998 45.100 0.037 0.000 1.576 1056 G HN 0.403 nan 8.290 nan 0.000 0.499 1057 V N 3.289 123.225 119.914 0.036 0.000 2.521 1057 V HA 0.530 4.649 4.120 -0.003 0.000 0.286 1057 V C 0.709 176.824 176.094 0.036 0.000 1.034 1057 V CA 0.581 62.903 62.300 0.037 0.000 1.045 1057 V CB 0.484 32.324 31.823 0.028 0.000 0.974 1057 V HN 0.878 nan 8.190 nan 0.000 0.480 1058 I N 1.968 122.564 120.570 0.043 0.000 2.646 1058 I HA 0.814 4.982 4.170 -0.003 0.000 0.299 1058 I C 0.424 176.563 176.117 0.036 0.000 1.036 1058 I CA -0.488 60.836 61.300 0.040 0.000 1.074 1058 I CB 2.335 40.366 38.000 0.052 0.000 1.258 1058 I HN 0.623 nan 8.210 nan 0.000 0.430 1059 T N 0.557 115.125 114.554 0.023 0.000 2.849 1059 T HA 0.280 4.628 4.350 -0.003 0.000 0.284 1059 T C 0.748 175.459 174.700 0.019 0.000 1.004 1059 T CA -0.580 61.529 62.100 0.015 0.000 1.021 1059 T CB 1.457 70.324 68.868 -0.002 0.000 1.013 1059 T HN 0.847 nan 8.240 nan 0.000 0.527 1060 K N -0.022 120.389 120.400 0.018 0.000 2.211 1060 K HA -0.113 4.206 4.320 -0.003 0.000 0.203 1060 K C 1.021 177.579 176.600 -0.071 0.000 1.050 1060 K CA 1.529 57.836 56.287 0.034 0.000 0.945 1060 K CB -0.195 32.340 32.500 0.058 0.000 0.732 1060 K HN 0.645 nan 8.250 nan 0.000 0.451 1061 D N -0.114 120.232 120.400 -0.089 0.000 2.249 1061 D HA -0.081 4.557 4.640 -0.003 0.000 0.205 1061 D C 1.401 177.627 176.300 -0.123 0.000 0.962 1061 D CA 0.624 54.535 54.000 -0.148 0.000 0.860 1061 D CB 0.145 40.879 40.800 -0.110 0.000 0.955 1061 D HN 0.204 nan 8.370 nan 0.000 0.505 1062 E N 0.401 120.562 120.200 -0.066 0.000 2.150 1062 E HA -0.059 4.289 4.350 -0.003 0.000 0.193 1062 E C 2.024 178.601 176.600 -0.038 0.000 0.985 1062 E CA 0.934 57.308 56.400 -0.044 0.000 0.814 1062 E CB -0.001 29.691 29.700 -0.013 0.000 0.752 1062 E HN 0.252 nan 8.360 nan 0.000 0.466 1063 A N 0.744 123.553 122.820 -0.018 0.000 1.873 1063 A HA -0.241 4.078 4.320 -0.003 0.000 0.215 1063 A C 2.060 179.652 177.584 0.014 0.000 1.186 1063 A CA 1.623 53.691 52.037 0.051 0.000 0.616 1063 A CB -0.513 18.581 19.000 0.156 0.000 0.823 1063 A HN 0.282 nan 8.150 nan 0.000 0.442 1064 E N -0.274 119.768 120.200 -0.265 0.000 2.160 1064 E HA -0.193 4.155 4.350 -0.003 0.000 0.195 1064 E C 2.192 178.728 176.600 -0.107 0.000 0.991 1064 E CA 1.494 57.604 56.400 -0.483 0.000 0.810 1064 E CB -0.019 29.122 29.700 -0.932 0.000 0.742 1064 E HN 0.392 nan 8.360 nan 0.000 0.466 1065 K N -0.014 120.324 120.400 -0.103 0.000 2.063 1065 K HA -0.097 4.221 4.320 -0.003 0.000 0.208 1065 K C 2.113 178.680 176.600 -0.054 0.000 1.048 1065 K CA 1.191 57.439 56.287 -0.064 0.000 0.928 1065 K CB -0.465 31.997 32.500 -0.064 0.000 0.713 1065 K HN 0.287 nan 8.250 nan 0.000 0.442 1066 L N -1.124 120.053 121.223 -0.075 0.000 2.156 1066 L HA 0.023 4.362 4.340 -0.003 0.000 0.208 1066 L C 2.249 179.051 176.870 -0.113 0.000 1.095 1066 L CA 1.291 55.993 54.840 -0.230 0.000 0.770 1066 L CB -0.410 41.423 42.059 -0.377 0.000 0.914 1066 L HN 0.225 nan 8.230 nan 0.000 0.439 1067 F N 1.381 121.307 119.950 -0.039 0.000 2.186 1067 F HA -0.173 4.353 4.527 -0.003 0.000 0.299 1067 F C 2.287 178.148 175.800 0.102 0.000 1.090 1067 F CA 1.440 59.504 58.000 0.108 0.000 1.307 1067 F CB -0.204 38.945 39.000 0.249 0.000 1.019 1067 F HN 0.104 nan 8.300 nan 0.000 0.489 1068 N N 0.505 119.209 118.700 0.007 0.000 2.188 1068 N HA -0.167 4.572 4.740 -0.003 0.000 0.184 1068 N C 1.743 177.203 175.510 -0.082 0.000 1.018 1068 N CA 1.377 54.386 53.050 -0.068 0.000 0.858 1068 N CB -0.578 37.907 38.487 -0.002 0.000 0.989 1068 N HN 0.517 nan 8.380 nan 0.000 0.426 1069 Q N 0.218 119.982 119.800 -0.059 0.000 2.170 1069 Q HA -0.073 4.266 4.340 -0.003 0.000 0.203 1069 Q C 0.682 176.668 176.000 -0.022 0.000 0.976 1069 Q CA 0.941 56.722 55.803 -0.037 0.000 0.858 1069 Q CB 0.091 28.807 28.738 -0.036 0.000 0.907 1069 Q HN 0.420 nan 8.270 nan 0.000 0.433 1070 D N -0.419 119.968 120.400 -0.022 0.000 2.249 1070 D HA -0.050 4.588 4.640 -0.003 0.000 0.205 1070 D C 1.884 178.182 176.300 -0.004 0.000 0.962 1070 D CA 0.561 54.573 54.000 0.020 0.000 0.860 1070 D CB 0.304 41.213 40.800 0.181 0.000 0.955 1070 D HN 0.056 nan 8.370 nan 0.000 0.505 1071 V N 1.743 121.602 119.914 -0.092 0.000 2.379 1071 V HA -0.172 3.947 4.120 -0.003 0.000 0.245 1071 V C 1.939 178.021 176.094 -0.021 0.000 1.044 1071 V CA 1.478 63.742 62.300 -0.061 0.000 1.036 1071 V CB -0.278 31.406 31.823 -0.232 0.000 0.664 1071 V HN 0.021 nan 8.190 nan 0.000 0.453 1072 D N 0.591 120.969 120.400 -0.036 0.000 2.149 1072 D HA -0.160 4.478 4.640 -0.003 0.000 0.198 1072 D C 2.201 178.481 176.300 -0.033 0.000 0.990 1072 D CA 1.725 55.712 54.000 -0.021 0.000 0.839 1072 D CB -0.205 40.584 40.800 -0.019 0.000 0.948 1072 D HN 0.452 nan 8.370 nan 0.000 0.460 1073 A N 0.968 123.761 122.820 -0.044 0.000 1.898 1073 A HA 0.013 4.331 4.320 -0.003 0.000 0.216 1073 A C 2.328 179.858 177.584 -0.089 0.000 1.181 1073 A CA 2.054 54.053 52.037 -0.064 0.000 0.620 1073 A CB -0.644 18.313 19.000 -0.071 0.000 0.819 1073 A HN 0.231 nan 8.150 nan 0.000 0.442 1074 A N -0.522 122.244 122.820 -0.090 0.000 1.902 1074 A HA 0.018 4.337 4.320 -0.003 0.000 0.217 1074 A C 2.232 179.751 177.584 -0.108 0.000 1.181 1074 A CA 1.768 53.750 52.037 -0.092 0.000 0.623 1074 A CB -0.899 18.102 19.000 0.002 0.000 0.818 1074 A HN 0.360 nan 8.150 nan 0.000 0.443 1075 V N -0.319 119.535 119.914 -0.100 0.000 2.261 1075 V HA -0.252 3.866 4.120 -0.003 0.000 0.246 1075 V C 2.630 178.611 176.094 -0.187 0.000 1.047 1075 V CA 2.373 64.560 62.300 -0.189 0.000 1.015 1075 V CB -0.777 31.015 31.823 -0.053 0.000 0.642 1075 V HN 0.558 nan 8.190 nan 0.000 0.446 1076 R N 0.416 120.855 120.500 -0.103 0.000 2.091 1076 R HA -0.139 4.199 4.340 -0.003 0.000 0.238 1076 R C 2.291 178.538 176.300 -0.090 0.000 1.136 1076 R CA 1.731 57.784 56.100 -0.079 0.000 0.959 1076 R CB -0.987 29.282 30.300 -0.053 0.000 0.856 1076 R HN 0.575 nan 8.270 nan 0.000 0.437 1077 G N -0.230 108.509 108.800 -0.101 0.000 2.394 1077 G HA2 -0.191 3.768 3.960 -0.003 0.000 0.215 1077 G HA3 -0.191 3.768 3.960 -0.003 0.000 0.215 1077 G C 1.434 176.272 174.900 -0.104 0.000 1.165 1077 G CA 0.654 45.698 45.100 -0.092 0.000 0.784 1077 G HN 0.260 nan 8.290 nan 0.000 0.535 1078 I N 0.393 120.867 120.570 -0.160 0.000 2.226 1078 I HA -0.107 4.061 4.170 -0.003 0.000 0.245 1078 I C 2.591 178.612 176.117 -0.161 0.000 1.100 1078 I CA 0.693 61.877 61.300 -0.193 0.000 1.374 1078 I CB -0.109 37.661 38.000 -0.384 0.000 1.057 1078 I HN 0.101 nan 8.210 nan 0.000 0.413 1079 L N -0.034 121.084 121.223 -0.175 0.000 2.265 1079 L HA -0.177 4.161 4.340 -0.003 0.000 0.215 1079 L C 2.529 179.374 176.870 -0.042 0.000 1.117 1079 L CA 1.170 55.958 54.840 -0.087 0.000 0.782 1079 L CB -0.429 41.591 42.059 -0.066 0.000 0.914 1079 L HN 0.197 nan 8.230 nan 0.000 0.441 1080 R N -0.950 119.520 120.500 -0.049 0.000 2.189 1080 R HA 0.039 4.377 4.340 -0.003 0.000 0.203 1080 R C 0.905 177.191 176.300 -0.025 0.000 1.012 1080 R CA -0.118 55.963 56.100 -0.031 0.000 1.015 1080 R CB 0.038 30.317 30.300 -0.034 0.000 0.938 1080 R HN 0.203 nan 8.270 nan 0.000 0.472 1081 N N 1.466 120.148 118.700 -0.031 0.000 2.406 1081 N HA -0.003 4.736 4.740 -0.003 0.000 0.265 1081 N C 0.582 176.090 175.510 -0.004 0.000 1.203 1081 N CA 0.088 53.127 53.050 -0.019 0.000 0.945 1081 N CB 1.424 39.897 38.487 -0.023 0.000 1.165 1081 N HN 0.137 nan 8.380 nan 0.000 0.485 1082 A N 4.646 127.467 122.820 0.001 0.000 1.986 1082 A HA -0.194 4.124 4.320 -0.003 0.000 0.220 1082 A C 2.131 179.726 177.584 0.018 0.000 1.171 1082 A CA 1.439 53.482 52.037 0.009 0.000 0.640 1082 A CB -0.178 18.825 19.000 0.006 0.000 0.811 1082 A HN 0.776 nan 8.150 nan 0.000 0.451 1083 K N -0.790 119.621 120.400 0.018 0.000 2.098 1083 K HA 0.103 4.422 4.320 -0.003 0.000 0.203 1083 K C 1.762 178.389 176.600 0.045 0.000 1.051 1083 K CA 0.897 57.201 56.287 0.027 0.000 0.957 1083 K CB -0.164 32.349 32.500 0.022 0.000 0.738 1083 K HN 0.479 nan 8.250 nan 0.000 0.447 1084 L N 0.981 122.232 121.223 0.046 0.000 2.162 1084 L HA -0.051 4.288 4.340 -0.003 0.000 0.205 1084 L C 2.523 179.452 176.870 0.098 0.000 1.086 1084 L CA 0.658 55.542 54.840 0.073 0.000 0.778 1084 L CB -0.465 41.626 42.059 0.053 0.000 0.928 1084 L HN 0.102 nan 8.230 nan 0.000 0.446 1085 K N 1.070 121.507 120.400 0.062 0.000 2.032 1085 K HA -0.218 4.101 4.320 -0.003 0.000 0.218 1085 K C -0.470 176.208 176.600 0.129 0.000 1.054 1085 K CA 2.361 58.696 56.287 0.080 0.000 0.941 1085 K CB -1.309 31.215 32.500 0.040 0.000 0.720 1085 K HN 0.203 nan 8.250 nan 0.000 0.449 1086 P HA -0.090 nan 4.420 nan 0.000 0.217 1086 P C 1.787 179.153 177.300 0.111 0.000 1.150 1086 P CA 1.069 64.224 63.100 0.092 0.000 0.832 1086 P CB -0.104 31.633 31.700 0.061 0.000 0.787 1087 V N -0.744 119.246 119.914 0.126 0.000 2.307 1087 V HA -0.248 3.871 4.120 -0.003 0.000 0.245 1087 V C 2.650 178.854 176.094 0.182 0.000 1.045 1087 V CA 1.692 64.075 62.300 0.138 0.000 1.024 1087 V CB -1.659 30.242 31.823 0.130 0.000 0.651 1087 V HN -0.038 nan 8.190 nan 0.000 0.449 1088 Y N 1.734 122.090 120.300 0.093 0.000 2.128 1088 Y HA -0.292 4.256 4.550 -0.003 0.000 0.284 1088 Y C 2.324 178.276 175.900 0.087 0.000 1.154 1088 Y CA 2.225 60.384 58.100 0.098 0.000 1.149 1088 Y CB -0.323 38.186 38.460 0.082 0.000 0.976 1088 Y HN 0.328 nan 8.280 nan 0.000 0.505 1089 D N -0.908 119.598 120.400 0.178 0.000 2.178 1089 D HA -0.162 4.477 4.640 -0.003 0.000 0.201 1089 D C 2.444 178.764 176.300 0.035 0.000 0.980 1089 D CA 1.574 55.628 54.000 0.091 0.000 0.842 1089 D CB -0.473 40.400 40.800 0.122 0.000 0.948 1089 D HN 0.489 nan 8.370 nan 0.000 0.472 1090 S N -0.408 115.327 115.700 0.058 0.000 2.414 1090 S HA -0.014 4.454 4.470 -0.003 0.000 0.227 1090 S C 1.121 175.765 174.600 0.073 0.000 1.022 1090 S CA -0.029 58.210 58.200 0.065 0.000 0.958 1090 S CB -0.337 62.911 63.200 0.079 0.000 0.797 1090 S HN 0.109 nan 8.310 nan 0.000 0.493 1091 L N 2.448 123.701 121.223 0.049 0.000 2.472 1091 L HA 0.295 4.633 4.340 -0.003 0.000 0.260 1091 L C 0.143 176.979 176.870 -0.056 0.000 1.209 1091 L CA -0.429 54.435 54.840 0.040 0.000 0.817 1091 L CB 0.203 42.273 42.059 0.018 0.000 1.106 1091 L HN 0.443 nan 8.230 nan 0.000 0.479 1092 D N -0.218 120.143 120.400 -0.065 0.000 2.332 1092 D HA 0.411 5.049 4.640 -0.003 0.000 0.252 1092 D C 0.701 176.931 176.300 -0.116 0.000 1.050 1092 D CA -0.264 53.688 54.000 -0.081 0.000 0.970 1092 D CB 1.294 42.050 40.800 -0.073 0.000 1.141 1092 D HN 0.512 nan 8.370 nan 0.000 0.485 1093 A N 0.692 123.474 122.820 -0.064 0.000 1.927 1093 A HA -0.216 4.102 4.320 -0.003 0.000 0.220 1093 A C 2.041 179.620 177.584 -0.009 0.000 1.185 1093 A CA 2.024 54.051 52.037 -0.016 0.000 0.639 1093 A CB -1.204 17.829 19.000 0.055 0.000 0.820 1093 A HN 0.473 nan 8.150 nan 0.000 0.451 1094 V N -0.665 119.199 119.914 -0.084 0.000 2.307 1094 V HA -0.247 3.872 4.120 -0.003 0.000 0.245 1094 V C 2.573 178.390 176.094 -0.461 0.000 1.045 1094 V CA 2.296 64.394 62.300 -0.337 0.000 1.024 1094 V CB -0.838 30.701 31.823 -0.473 0.000 0.651 1094 V HN 0.517 nan 8.190 nan 0.000 0.449 1095 R N -0.473 119.814 120.500 -0.355 0.000 2.115 1095 R HA -0.000 4.338 4.340 -0.003 0.000 0.226 1095 R C 2.571 178.761 176.300 -0.184 0.000 1.100 1095 R CA 0.927 56.827 56.100 -0.334 0.000 0.980 1095 R CB -0.252 29.900 30.300 -0.247 0.000 0.875 1095 R HN 0.441 nan 8.270 nan 0.000 0.445 1096 R N -0.105 120.309 120.500 -0.143 0.000 2.096 1096 R HA -0.070 4.268 4.340 -0.003 0.000 0.235 1096 R C 2.155 178.504 176.300 0.082 0.000 1.127 1096 R CA 1.390 57.430 56.100 -0.099 0.000 0.968 1096 R CB -0.230 29.863 30.300 -0.345 0.000 0.861 1096 R HN 0.189 nan 8.270 nan 0.000 0.440 1097 A N 0.743 123.574 122.820 0.019 0.000 2.015 1097 A HA -0.024 4.295 4.320 -0.003 0.000 0.219 1097 A C 2.226 179.801 177.584 -0.015 0.000 1.163 1097 A CA 1.454 53.544 52.037 0.089 0.000 0.646 1097 A CB -0.310 18.835 19.000 0.242 0.000 0.806 1097 A HN 0.387 nan 8.150 nan 0.000 0.448 1098 A N -0.714 121.963 122.820 -0.239 0.000 1.930 1098 A HA 0.118 4.436 4.320 -0.003 0.000 0.215 1098 A C 2.033 179.512 177.584 -0.174 0.000 1.176 1098 A CA 1.383 53.157 52.037 -0.438 0.000 0.632 1098 A CB -0.460 17.834 19.000 -1.177 0.000 0.819 1098 A HN 0.513 nan 8.150 nan 0.000 0.445 1099 L N -0.168 121.097 121.223 0.069 0.000 2.093 1099 L HA -0.028 4.311 4.340 -0.003 0.000 0.208 1099 L C 2.144 179.156 176.870 0.237 0.000 1.085 1099 L CA 1.473 56.516 54.840 0.339 0.000 0.755 1099 L CB -0.324 41.992 42.059 0.429 0.000 0.904 1099 L HN 0.409 nan 8.230 nan 0.000 0.435 1100 I N -0.500 120.204 120.570 0.224 0.000 2.315 1100 I HA -0.287 3.882 4.170 -0.003 0.000 0.248 1100 I C 2.362 178.643 176.117 0.272 0.000 1.117 1100 I CA 1.158 62.606 61.300 0.248 0.000 1.404 1100 I CB -0.492 37.656 38.000 0.247 0.000 1.071 1100 I HN 0.423 nan 8.210 nan 0.000 0.419 1101 N N 1.067 119.869 118.700 0.169 0.000 2.104 1101 N HA -0.200 4.539 4.740 -0.003 0.000 0.190 1101 N C 1.969 177.581 175.510 0.170 0.000 1.024 1101 N CA 1.657 54.797 53.050 0.151 0.000 0.853 1101 N CB -0.025 38.534 38.487 0.120 0.000 1.008 1101 N HN 0.304 nan 8.380 nan 0.000 0.424 1102 M N -0.019 119.637 119.600 0.094 0.000 2.132 1102 M HA -0.108 4.371 4.480 -0.003 0.000 0.263 1102 M C 2.210 178.523 176.300 0.023 0.000 1.065 1102 M CA 0.943 56.201 55.300 -0.069 0.000 1.122 1102 M CB -0.045 32.452 32.600 -0.172 0.000 1.365 1102 M HN -0.069 nan 8.290 nan 0.000 0.411 1103 V N -0.408 119.571 119.914 0.109 0.000 2.490 1103 V HA -0.258 3.861 4.120 -0.003 0.000 0.250 1103 V C 1.996 178.148 176.094 0.097 0.000 1.061 1103 V CA 1.752 64.105 62.300 0.089 0.000 1.064 1103 V CB -0.716 31.153 31.823 0.076 0.000 0.670 1103 V HN 0.318 nan 8.190 nan 0.000 0.461 1104 F N -0.032 119.942 119.950 0.040 0.000 2.234 1104 F HA -0.143 4.383 4.527 -0.003 0.000 0.299 1104 F C 2.510 178.350 175.800 0.068 0.000 1.087 1104 F CA 1.830 59.869 58.000 0.064 0.000 1.340 1104 F CB -0.108 38.955 39.000 0.105 0.000 1.031 1104 F HN 0.130 nan 8.300 nan 0.000 0.500 1105 Q N -0.315 119.619 119.800 0.223 0.000 1.994 1105 Q HA -0.183 4.155 4.340 -0.003 0.000 0.198 1105 Q C 1.356 177.417 176.000 0.103 0.000 0.976 1105 Q CA 1.980 57.875 55.803 0.154 0.000 0.828 1105 Q CB 0.101 28.896 28.738 0.094 0.000 0.894 1105 Q HN 0.373 nan 8.270 nan 0.000 0.432 1106 M N -2.187 117.446 119.600 0.055 0.000 2.300 1106 M HA 0.442 4.921 4.480 -0.003 0.000 0.313 1106 M C 0.294 176.607 176.300 0.023 0.000 0.988 1106 M CA 0.358 55.687 55.300 0.048 0.000 1.012 1106 M CB 1.528 34.161 32.600 0.056 0.000 1.586 1106 M HN 0.140 nan 8.290 nan 0.000 0.562 1107 G N 0.678 109.485 108.800 0.012 0.000 2.655 1107 G HA2 -0.143 3.815 3.960 -0.003 0.000 0.680 1107 G HA3 -0.143 3.815 3.960 -0.003 0.000 0.680 1107 G C -0.031 174.864 174.900 -0.009 0.000 1.302 1107 G CA -0.150 44.942 45.100 -0.013 0.000 0.872 1107 G HN 0.328 nan 8.290 nan 0.000 0.540 1108 E N -0.754 119.433 120.200 -0.022 0.000 2.106 1108 E HA -0.056 4.292 4.350 -0.003 0.000 0.192 1108 E C 2.706 179.299 176.600 -0.012 0.000 0.984 1108 E CA 1.649 58.040 56.400 -0.014 0.000 0.806 1108 E CB -0.144 29.538 29.700 -0.030 0.000 0.750 1108 E HN 0.535 nan 8.360 nan 0.000 0.458 1109 T N 0.088 114.627 114.554 -0.025 0.000 2.788 1109 T HA -0.116 4.232 4.350 -0.003 0.000 0.268 1109 T C 1.876 176.535 174.700 -0.067 0.000 1.044 1109 T CA 1.098 63.175 62.100 -0.039 0.000 1.139 1109 T CB -0.435 68.411 68.868 -0.036 0.000 0.867 1109 T HN 0.338 nan 8.240 nan 0.000 0.454 1110 G N 1.208 109.972 108.800 -0.060 0.000 2.404 1110 G HA2 -0.146 3.813 3.960 -0.003 0.000 0.215 1110 G HA3 -0.146 3.813 3.960 -0.003 0.000 0.215 1110 G C 1.666 176.483 174.900 -0.138 0.000 1.174 1110 G CA 0.823 45.859 45.100 -0.106 0.000 0.780 1110 G HN 0.455 nan 8.290 nan 0.000 0.537 1111 V N 1.483 121.433 119.914 0.059 0.000 2.515 1111 V HA -0.035 4.083 4.120 -0.003 0.000 0.250 1111 V C 3.233 179.441 176.094 0.190 0.000 1.058 1111 V CA 1.721 64.175 62.300 0.258 0.000 1.064 1111 V CB -0.704 31.214 31.823 0.159 0.000 0.675 1111 V HN 0.446 nan 8.190 nan 0.000 0.461 1112 A N 0.811 123.654 122.820 0.039 0.000 2.067 1112 A HA 0.005 4.324 4.320 -0.003 0.000 0.219 1112 A C 2.359 179.918 177.584 -0.043 0.000 1.158 1112 A CA 1.489 53.535 52.037 0.015 0.000 0.661 1112 A CB -0.946 18.051 19.000 -0.006 0.000 0.801 1112 A HN 0.522 nan 8.150 nan 0.000 0.452 1113 G N -0.640 108.052 108.800 -0.180 0.000 2.448 1113 G HA2 -0.053 3.905 3.960 -0.003 0.000 0.219 1113 G HA3 -0.053 3.905 3.960 -0.003 0.000 0.219 1113 G C 0.424 175.153 174.900 -0.285 0.000 1.127 1113 G CA 0.259 45.185 45.100 -0.291 0.000 0.766 1113 G HN 0.426 nan 8.290 nan 0.000 0.552 1114 F N 2.399 122.356 119.950 0.012 0.000 2.652 1114 F HA 0.281 4.807 4.527 -0.003 0.000 0.352 1114 F C 1.785 177.587 175.800 0.002 0.000 1.259 1114 F CA -0.326 57.684 58.000 0.016 0.000 1.249 1114 F CB -0.325 38.685 39.000 0.017 0.000 1.628 1114 F HN -0.132 nan 8.300 nan 0.000 0.654 1115 T N 0.002 114.619 114.554 0.104 0.000 2.588 1115 T HA -0.215 4.134 4.350 -0.003 0.000 0.261 1115 T C 1.980 176.715 174.700 0.059 0.000 1.069 1115 T CA 1.564 63.701 62.100 0.061 0.000 1.172 1115 T CB -0.097 68.788 68.868 0.028 0.000 0.863 1115 T HN 0.404 nan 8.240 nan 0.000 0.408 1116 N N 1.265 119.998 118.700 0.055 0.000 2.223 1116 N HA -0.039 4.699 4.740 -0.003 0.000 0.185 1116 N C 2.183 177.707 175.510 0.024 0.000 1.016 1116 N CA 0.961 54.030 53.050 0.032 0.000 0.863 1116 N CB -0.515 37.989 38.487 0.028 0.000 0.983 1116 N HN 0.277 nan 8.380 nan 0.000 0.429 1117 S N 1.422 117.153 115.700 0.050 0.000 2.370 1117 S HA -0.026 4.442 4.470 -0.003 0.000 0.226 1117 S C 2.173 176.757 174.600 -0.027 0.000 1.033 1117 S CA 0.679 58.882 58.200 0.005 0.000 1.011 1117 S CB -0.280 62.930 63.200 0.016 0.000 0.852 1117 S HN 0.236 nan 8.310 nan 0.000 0.457 1118 L N 1.689 122.922 121.223 0.017 0.000 2.017 1118 L HA -0.182 4.157 4.340 -0.003 0.000 0.208 1118 L C 2.801 179.674 176.870 0.005 0.000 1.073 1118 L CA 1.665 56.517 54.840 0.018 0.000 0.745 1118 L CB -0.541 41.551 42.059 0.056 0.000 0.894 1118 L HN 0.386 nan 8.230 nan 0.000 0.432 1119 R N -0.112 120.388 120.500 -0.001 0.000 2.096 1119 R HA -0.178 4.160 4.340 -0.003 0.000 0.235 1119 R C 2.091 178.357 176.300 -0.057 0.000 1.127 1119 R CA 1.529 57.618 56.100 -0.018 0.000 0.968 1119 R CB -0.613 29.679 30.300 -0.013 0.000 0.861 1119 R HN 0.316 nan 8.270 nan 0.000 0.440 1120 M N 1.017 120.573 119.600 -0.074 0.000 2.159 1120 M HA -0.073 4.405 4.480 -0.003 0.000 0.263 1120 M C 2.243 178.414 176.300 -0.215 0.000 1.063 1120 M CA 1.540 56.761 55.300 -0.132 0.000 1.110 1120 M CB -0.216 32.320 32.600 -0.106 0.000 1.374 1120 M HN 0.165 nan 8.290 nan 0.000 0.411 1121 L N -0.523 120.622 121.223 -0.129 0.000 2.093 1121 L HA -0.219 4.119 4.340 -0.003 0.000 0.208 1121 L C 2.564 179.383 176.870 -0.085 0.000 1.085 1121 L CA 1.310 56.116 54.840 -0.057 0.000 0.755 1121 L CB -0.533 41.586 42.059 0.099 0.000 0.904 1121 L HN 0.388 nan 8.230 nan 0.000 0.435 1122 Q N -0.561 119.210 119.800 -0.049 0.000 2.137 1122 Q HA -0.154 4.185 4.340 -0.003 0.000 0.198 1122 Q C 1.966 177.906 176.000 -0.101 0.000 0.960 1122 Q CA 0.839 56.629 55.803 -0.022 0.000 0.847 1122 Q CB 0.251 28.994 28.738 0.009 0.000 0.915 1122 Q HN 0.402 nan 8.270 nan 0.000 0.448 1123 Q N 0.391 120.095 119.800 -0.160 0.000 2.515 1123 Q HA -0.044 4.295 4.340 -0.003 0.000 0.212 1123 Q C -0.239 175.572 176.000 -0.315 0.000 0.970 1123 Q CA 0.486 56.179 55.803 -0.182 0.000 0.941 1123 Q CB 0.412 29.060 28.738 -0.150 0.000 0.998 1123 Q HN 0.294 nan 8.270 nan 0.000 0.518 1124 K N 0.008 120.083 120.400 -0.542 0.000 3.129 1124 K HA -0.189 4.130 4.320 -0.003 0.000 0.273 1124 K C -0.450 175.387 176.600 -1.272 0.000 1.123 1124 K CA 0.564 56.233 56.287 -1.030 0.000 0.800 1124 K CB -1.473 30.777 32.500 -0.416 0.000 1.238 1124 K HN 0.260 nan 8.250 nan 0.000 0.492 1125 R N 0.211 120.154 120.500 -0.929 0.000 2.825 1125 R HA 0.135 4.474 4.340 -0.003 0.000 0.261 1125 R C 0.833 176.874 176.300 -0.432 0.000 1.341 1125 R CA -0.277 55.484 56.100 -0.565 0.000 1.353 1125 R CB -0.197 29.929 30.300 -0.290 0.000 1.191 1125 R HN 0.259 nan 8.270 nan 0.000 0.590 1126 W N 0.211 121.514 121.300 0.005 0.000 2.409 1126 W HA -0.065 4.593 4.660 -0.002 0.000 0.299 1126 W C 1.530 178.054 176.519 0.009 0.000 1.203 1126 W CA 0.467 57.822 57.345 0.017 0.000 1.298 1126 W CB -0.051 29.434 29.460 0.042 0.000 1.127 1126 W HN 0.451 nan 8.180 nan 0.000 0.528 1127 D N 0.559 121.058 120.400 0.164 0.000 2.144 1127 D HA -0.177 4.461 4.640 -0.003 0.000 0.199 1127 D C 1.816 178.138 176.300 0.036 0.000 0.984 1127 D CA 1.528 55.582 54.000 0.091 0.000 0.834 1127 D CB 0.079 40.914 40.800 0.059 0.000 0.955 1127 D HN 0.181 nan 8.370 nan 0.000 0.465 1128 E N -0.466 119.732 120.200 -0.003 0.000 2.076 1128 E HA 0.010 4.358 4.350 -0.003 0.000 0.190 1128 E C 1.976 178.565 176.600 -0.019 0.000 0.979 1128 E CA 0.705 57.091 56.400 -0.024 0.000 0.807 1128 E CB -0.039 29.628 29.700 -0.054 0.000 0.761 1128 E HN 0.277 nan 8.360 nan 0.000 0.454 1129 A N 1.114 123.923 122.820 -0.018 0.000 2.168 1129 A HA 0.069 4.388 4.320 -0.003 0.000 0.215 1129 A C 2.170 179.749 177.584 -0.009 0.000 1.152 1129 A CA 1.120 53.143 52.037 -0.024 0.000 0.716 1129 A CB -0.314 18.659 19.000 -0.046 0.000 0.794 1129 A HN 0.264 nan 8.150 nan 0.000 0.465 1130 A N -0.266 122.568 122.820 0.025 0.000 1.873 1130 A HA 0.013 4.332 4.320 -0.003 0.000 0.215 1130 A C 2.088 179.653 177.584 -0.032 0.000 1.186 1130 A CA 1.710 53.761 52.037 0.025 0.000 0.616 1130 A CB -0.834 18.198 19.000 0.052 0.000 0.823 1130 A HN 0.452 nan 8.150 nan 0.000 0.442 1131 V N 0.858 120.749 119.914 -0.038 0.000 2.626 1131 V HA -0.231 3.887 4.120 -0.003 0.000 0.252 1131 V C 2.053 178.110 176.094 -0.062 0.000 1.067 1131 V CA 2.052 64.312 62.300 -0.067 0.000 1.081 1131 V CB -1.340 30.455 31.823 -0.048 0.000 0.686 1131 V HN 0.543 nan 8.190 nan 0.000 0.468 1132 N N 0.701 119.386 118.700 -0.026 0.000 2.166 1132 N HA -0.086 4.652 4.740 -0.003 0.000 0.186 1132 N C 1.573 177.103 175.510 0.035 0.000 1.019 1132 N CA 1.192 54.249 53.050 0.012 0.000 0.856 1132 N CB -0.379 38.125 38.487 0.028 0.000 0.993 1132 N HN 0.414 nan 8.380 nan 0.000 0.426 1133 L N -0.429 120.792 121.223 -0.004 0.000 2.478 1133 L HA 0.159 4.498 4.340 -0.003 0.000 0.223 1133 L C 1.985 178.806 176.870 -0.081 0.000 1.140 1133 L CA 0.204 55.059 54.840 0.025 0.000 0.842 1133 L CB -0.187 41.922 42.059 0.082 0.000 0.953 1133 L HN 0.175 nan 8.230 nan 0.000 0.452 1134 A N 0.001 122.678 122.820 -0.238 0.000 1.975 1134 A HA -0.082 4.237 4.320 -0.003 0.000 0.215 1134 A C 2.273 179.687 177.584 -0.284 0.000 1.170 1134 A CA 0.882 52.563 52.037 -0.593 0.000 0.656 1134 A CB -0.073 18.549 19.000 -0.631 0.000 0.821 1134 A HN 0.253 nan 8.150 nan 0.000 0.449 1135 K N 0.992 121.343 120.400 -0.082 0.000 2.296 1135 K HA 0.003 4.321 4.320 -0.003 0.000 0.200 1135 K C 1.086 177.755 176.600 0.115 0.000 1.048 1135 K CA 0.642 56.941 56.287 0.020 0.000 0.966 1135 K CB -0.086 32.430 32.500 0.028 0.000 0.754 1135 K HN 0.598 nan 8.250 nan 0.000 0.466 1136 S N 0.611 116.425 115.700 0.190 0.000 2.580 1136 S HA 0.034 4.502 4.470 -0.003 0.000 0.266 1136 S C 0.932 175.720 174.600 0.313 0.000 1.354 1136 S CA -0.325 58.073 58.200 0.330 0.000 1.008 1136 S CB 1.023 64.579 63.200 0.594 0.000 0.898 1136 S HN 0.129 nan 8.310 nan 0.000 0.555 1137 R N -0.209 120.483 120.500 0.319 0.000 2.115 1137 R HA -0.023 4.315 4.340 -0.003 0.000 0.230 1137 R C 1.940 178.439 176.300 0.330 0.000 1.111 1137 R CA 1.576 57.831 56.100 0.259 0.000 0.976 1137 R CB -0.433 29.986 30.300 0.199 0.000 0.870 1137 R HN 0.882 nan 8.270 nan 0.000 0.445 1138 W N 0.260 121.711 121.300 0.253 0.000 2.358 1138 W HA -0.244 4.415 4.660 -0.003 0.000 0.303 1138 W C 1.746 178.378 176.519 0.188 0.000 1.208 1138 W CA 1.025 58.510 57.345 0.233 0.000 1.274 1138 W CB -0.696 28.947 29.460 0.306 0.000 1.138 1138 W HN 0.101 nan 8.180 nan 0.000 0.515 1139 Y N 1.559 121.779 120.300 -0.134 0.000 2.263 1139 Y HA -0.172 4.376 4.550 -0.003 0.000 0.292 1139 Y C 2.516 178.347 175.900 -0.115 0.000 1.130 1139 Y CA 2.439 60.359 58.100 -0.299 0.000 1.179 1139 Y CB -1.010 37.300 38.460 -0.250 0.000 0.998 1139 Y HN 0.092 nan 8.280 nan 0.000 0.532 1140 N N -0.181 118.571 118.700 0.087 0.000 2.120 1140 N HA -0.205 4.534 4.740 -0.003 0.000 0.188 1140 N C 1.704 177.205 175.510 -0.015 0.000 1.024 1140 N CA 1.986 55.065 53.050 0.048 0.000 0.852 1140 N CB -0.152 38.398 38.487 0.105 0.000 1.003 1140 N HN 0.504 nan 8.380 nan 0.000 0.424 1141 Q N -1.180 118.635 119.800 0.024 0.000 1.946 1141 Q HA 0.009 4.347 4.340 -0.003 0.000 0.199 1141 Q C 0.079 176.062 176.000 -0.029 0.000 0.979 1141 Q CA 1.560 57.381 55.803 0.030 0.000 0.834 1141 Q CB -0.054 28.748 28.738 0.107 0.000 0.899 1141 Q HN 0.466 nan 8.270 nan 0.000 0.431 1142 T N -1.208 113.318 114.554 -0.046 0.000 3.154 1142 T HA 0.291 4.639 4.350 -0.003 0.000 0.381 1142 T C -2.342 172.191 174.700 -0.278 0.000 1.368 1142 T CA -1.839 60.205 62.100 -0.093 0.000 1.155 1142 T CB 1.317 70.200 68.868 0.026 0.000 1.120 1142 T HN 0.027 nan 8.240 nan 0.000 0.570 1143 P HA 0.002 nan 4.420 nan 0.000 0.225 1143 P C 1.123 178.165 177.300 -0.430 0.000 1.156 1143 P CA 0.486 63.146 63.100 -0.734 0.000 0.787 1143 P CB 0.339 31.550 31.700 -0.815 0.000 0.802 1144 N N 0.606 119.162 118.700 -0.240 0.000 2.080 1144 N HA -0.128 4.610 4.740 -0.003 0.000 0.189 1144 N C 2.041 177.486 175.510 -0.110 0.000 1.036 1144 N CA 1.080 54.043 53.050 -0.145 0.000 0.846 1144 N CB -0.610 37.817 38.487 -0.101 0.000 1.015 1144 N HN -0.019 nan 8.380 nan 0.000 0.423 1145 R N 0.146 120.606 120.500 -0.066 0.000 2.066 1145 R HA -0.002 4.336 4.340 -0.003 0.000 0.232 1145 R C 1.992 178.322 176.300 0.050 0.000 1.131 1145 R CA 1.374 57.495 56.100 0.034 0.000 0.955 1145 R CB -0.406 29.976 30.300 0.137 0.000 0.851 1145 R HN 0.206 nan 8.270 nan 0.000 0.432 1146 A N 1.422 124.151 122.820 -0.151 0.000 1.892 1146 A HA -0.249 4.069 4.320 -0.003 0.000 0.218 1146 A C 2.130 179.565 177.584 -0.247 0.000 1.188 1146 A CA 1.875 53.583 52.037 -0.548 0.000 0.631 1146 A CB -0.576 17.774 19.000 -1.082 0.000 0.822 1146 A HN 0.401 nan 8.150 nan 0.000 0.447 1147 K N -0.847 119.507 120.400 -0.077 0.000 2.057 1147 K HA -0.116 4.202 4.320 -0.003 0.000 0.207 1147 K C 2.350 178.968 176.600 0.029 0.000 1.049 1147 K CA 1.325 57.632 56.287 0.034 0.000 0.931 1147 K CB -0.148 32.396 32.500 0.072 0.000 0.714 1147 K HN 0.433 nan 8.250 nan 0.000 0.440 1148 R N -0.058 120.441 120.500 -0.000 0.000 2.115 1148 R HA -0.086 4.252 4.340 -0.003 0.000 0.230 1148 R C 2.155 178.532 176.300 0.128 0.000 1.111 1148 R CA 1.169 57.254 56.100 -0.024 0.000 0.976 1148 R CB -0.076 30.089 30.300 -0.224 0.000 0.870 1148 R HN 0.062 nan 8.270 nan 0.000 0.445 1149 V N 0.911 120.960 119.914 0.226 0.000 2.379 1149 V HA -0.190 3.928 4.120 -0.003 0.000 0.245 1149 V C 2.136 178.407 176.094 0.294 0.000 1.044 1149 V CA 1.519 63.993 62.300 0.290 0.000 1.036 1149 V CB -0.327 31.821 31.823 0.542 0.000 0.664 1149 V HN 0.240 nan 8.190 nan 0.000 0.453 1150 I N 0.438 121.225 120.570 0.363 0.000 2.315 1150 I HA -0.202 3.966 4.170 -0.003 0.000 0.248 1150 I C 2.509 178.767 176.117 0.234 0.000 1.117 1150 I CA 1.737 63.263 61.300 0.377 0.000 1.404 1150 I CB -0.689 37.423 38.000 0.186 0.000 1.071 1150 I HN 0.291 nan 8.210 nan 0.000 0.419 1151 T N -0.195 114.434 114.554 0.124 0.000 2.833 1151 T HA -0.141 4.207 4.350 -0.003 0.000 0.269 1151 T C 1.892 176.598 174.700 0.009 0.000 1.054 1151 T CA 1.880 64.018 62.100 0.063 0.000 1.135 1151 T CB -0.403 68.488 68.868 0.040 0.000 0.869 1151 T HN 0.376 nan 8.240 nan 0.000 0.466 1152 T N 1.695 116.229 114.554 -0.033 0.000 2.777 1152 T HA 0.009 4.358 4.350 -0.003 0.000 0.266 1152 T C 1.544 176.057 174.700 -0.312 0.000 1.040 1152 T CA 0.908 62.868 62.100 -0.232 0.000 1.141 1152 T CB -0.461 68.213 68.868 -0.324 0.000 0.868 1152 T HN 0.291 nan 8.240 nan 0.000 0.444 1153 F N 1.367 121.246 119.950 -0.118 0.000 2.186 1153 F HA 0.102 4.627 4.527 -0.002 0.000 0.299 1153 F C 2.593 178.259 175.800 -0.224 0.000 1.090 1153 F CA 0.611 58.517 58.000 -0.157 0.000 1.307 1153 F CB -0.394 38.632 39.000 0.044 0.000 1.019 1153 F HN -0.034 nan 8.300 nan 0.000 0.489 1154 R N -0.203 120.360 120.500 0.105 0.000 2.070 1154 R HA -0.142 4.196 4.340 -0.003 0.000 0.232 1154 R C 2.328 178.581 176.300 -0.078 0.000 1.138 1154 R CA 2.326 58.480 56.100 0.090 0.000 0.936 1154 R CB -0.862 29.498 30.300 0.100 0.000 0.839 1154 R HN 0.385 nan 8.270 nan 0.000 0.429 1155 T N -3.797 110.685 114.554 -0.120 0.000 3.009 1155 T HA 0.129 4.477 4.350 -0.003 0.000 0.258 1155 T C 1.393 175.939 174.700 -0.256 0.000 1.063 1155 T CA 0.680 62.695 62.100 -0.142 0.000 1.139 1155 T CB 0.312 69.137 68.868 -0.071 0.000 0.890 1155 T HN 0.448 nan 8.240 nan 0.000 0.471 1156 G N 1.893 110.484 108.800 -0.348 0.000 2.160 1156 G HA2 -0.175 3.784 3.960 -0.003 0.000 0.244 1156 G HA3 -0.175 3.784 3.960 -0.003 0.000 0.244 1156 G C 0.174 174.896 174.900 -0.295 0.000 1.022 1156 G CA 0.546 45.402 45.100 -0.406 0.000 0.741 1156 G HN 1.221 nan 8.290 nan 0.000 0.508 1157 T N -4.455 109.959 114.554 -0.233 0.000 2.907 1157 T HA 0.594 4.943 4.350 -0.003 0.000 0.290 1157 T C 0.311 174.886 174.700 -0.208 0.000 1.066 1157 T CA -0.609 61.512 62.100 0.035 0.000 1.012 1157 T CB 1.418 70.387 68.868 0.168 0.000 1.184 1157 T HN 0.323 nan 8.240 nan 0.000 0.522 1158 W N 0.330 121.680 121.300 0.084 0.000 3.325 1158 W HA 0.271 4.929 4.660 -0.002 0.000 0.370 1158 W C 0.855 177.438 176.519 0.107 0.000 1.169 1158 W CA -0.549 56.788 57.345 -0.013 0.000 1.874 1158 W CB 0.018 29.355 29.460 -0.204 0.000 1.076 1158 W HN 0.714 nan 8.180 nan 0.000 0.684 1159 D N 0.809 121.362 120.400 0.254 0.000 2.149 1159 D HA -0.180 4.459 4.640 -0.003 0.000 0.198 1159 D C 2.193 178.583 176.300 0.151 0.000 0.990 1159 D CA 1.550 55.658 54.000 0.181 0.000 0.839 1159 D CB -0.518 40.356 40.800 0.123 0.000 0.948 1159 D HN 0.212 nan 8.370 nan 0.000 0.460 1160 A N -0.656 122.261 122.820 0.161 0.000 2.172 1160 A HA -0.050 4.269 4.320 -0.003 0.000 0.216 1160 A C 0.495 178.011 177.584 -0.114 0.000 1.154 1160 A CA 0.715 52.767 52.037 0.025 0.000 0.701 1160 A CB -0.265 18.733 19.000 -0.005 0.000 0.789 1160 A HN 0.183 nan 8.150 nan 0.000 0.465 1201 S N 0.000 115.723 115.700 0.038 0.000 2.498 1201 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 1201 S CA 0.000 58.206 58.200 0.010 0.000 1.107 1201 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 1201 S HN 0.000 nan 8.310 nan 0.000 0.517