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 1h81_1_B DATA FIRST_RESID 5 DATA SEQUENCE PRVIVVGAGM SGISAAKRLS EAGITDLLIL EATDHIGGRM HKTNFAGINV DATA SEQUENCE ELGANWVEGV NGGKMNPIWP IVNSTLKLRN FRSDFDYLAQ NVYKEDGGVY DATA SEQUENCE DEDYVQKRIE LADSVEEMGE KLSATLHASG RDDMSILAMQ RLNEHQPNGP DATA SEQUENCE ATPVDMVVDY YKFDYEFAEP PRVTSLQNTV PLATFSDFGD DVYFVADQRG DATA SEQUENCE YEAVVYYLAG QYLKTDDKSG KIVDPRLQLN KVVREIKYSP GGVTVKTEDN DATA SEQUENCE SVYSADYVMV SASLGVLQSD LIQFKPKLPT WKVRAIYQFD MAVYTKIFLK DATA SEQUENCE FPRKFWPEGK GREFFLYASS RRGYYGVWQE FEKQYPDANV LLVTVTDEES DATA SEQUENCE RRIEQQSDEQ TKAEIMQVLR KMFPGKDVPD ATDILVPRWW SDRFYKGTFS DATA SEQUENCE NWPVGVNRYE YDQLRAPVGR VYFTGEHTSE HYNGYVHGAY LSGIDSAEIL DATA SEQUENCE INcAQKKMcK YH 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.335 177.300 0.058 0.000 1.155 5 P CA 0.000 63.144 63.100 0.074 0.000 0.800 5 P CB 0.000 31.819 31.700 0.198 0.000 0.726 6 R N 0.875 121.394 120.500 0.032 0.000 2.474 6 R HA 0.715 5.055 4.340 0.000 0.000 0.295 6 R C -1.190 175.143 176.300 0.056 0.000 0.980 6 R CA -0.560 55.555 56.100 0.025 0.000 0.934 6 R CB 1.269 31.571 30.300 0.004 0.000 1.101 6 R HN 0.242 nan 8.270 nan 0.000 0.469 7 V N 6.183 126.125 119.914 0.047 0.000 2.531 7 V HA 0.403 4.523 4.120 0.000 0.000 0.301 7 V C -0.202 175.894 176.094 0.003 0.000 1.034 7 V CA -0.725 61.611 62.300 0.060 0.000 0.865 7 V CB 1.798 33.645 31.823 0.042 0.000 0.995 7 V HN 0.726 nan 8.190 nan 0.000 0.424 8 I N 4.488 125.058 120.570 0.000 0.000 2.359 8 I HA 0.472 4.642 4.170 0.000 0.000 0.294 8 I C -0.534 175.555 176.117 -0.047 0.000 0.987 8 I CA -0.682 60.589 61.300 -0.048 0.000 1.225 8 I CB 1.911 39.880 38.000 -0.053 0.000 1.366 8 I HN 0.291 nan 8.210 nan 0.000 0.466 9 V N 7.276 127.149 119.914 -0.069 0.000 2.384 9 V HA 0.291 4.411 4.120 0.000 0.000 0.287 9 V C -0.036 176.013 176.094 -0.076 0.000 1.020 9 V CA -0.728 61.534 62.300 -0.064 0.000 0.850 9 V CB 1.793 33.584 31.823 -0.053 0.000 0.987 9 V HN 0.361 nan 8.190 nan 0.000 0.436 10 V N 4.399 124.272 119.914 -0.067 0.000 2.385 10 V HA 0.837 4.957 4.120 0.000 0.000 0.269 10 V C 0.682 176.740 176.094 -0.060 0.000 1.043 10 V CA 0.456 62.713 62.300 -0.072 0.000 0.906 10 V CB 0.588 32.374 31.823 -0.060 0.000 0.995 10 V HN 1.302 nan 8.190 nan 0.000 0.467 11 G N 4.134 112.883 108.800 -0.085 0.000 3.067 11 G HA2 0.307 4.267 3.960 0.000 0.000 0.686 11 G HA3 0.307 4.267 3.960 0.000 0.000 0.686 11 G C -0.250 174.614 174.900 -0.061 0.000 1.119 11 G CA -0.289 44.765 45.100 -0.077 0.000 0.790 11 G HN 1.565 nan 8.290 nan 0.000 0.605 12 A N 1.648 124.424 122.820 -0.074 0.000 3.041 12 A HA 0.808 5.128 4.320 0.000 0.000 0.307 12 A C 1.235 178.799 177.584 -0.033 0.000 1.116 12 A CA 1.062 53.062 52.037 -0.062 0.000 1.001 12 A CB -0.142 18.796 19.000 -0.102 0.000 1.112 12 A HN 2.144 nan 8.150 nan 0.000 0.556 13 G N -1.024 107.786 108.800 0.018 0.000 2.510 13 G HA2 0.383 4.343 3.960 0.000 0.000 0.280 13 G HA3 0.383 4.343 3.960 0.000 0.000 0.280 13 G C 0.908 175.840 174.900 0.053 0.000 1.386 13 G CA 0.139 45.279 45.100 0.066 0.000 1.047 13 G HN 0.354 nan 8.290 nan 0.000 0.527 14 M N 0.562 120.205 119.600 0.071 0.000 2.108 14 M HA -0.140 4.340 4.480 0.000 0.000 0.261 14 M C 2.593 178.946 176.300 0.088 0.000 1.066 14 M CA 2.813 58.169 55.300 0.093 0.000 1.107 14 M CB -0.585 32.074 32.600 0.098 0.000 1.356 14 M HN 0.534 nan 8.290 nan 0.000 0.406 15 S N -0.946 114.790 115.700 0.060 0.000 2.387 15 S HA 0.054 4.524 4.470 0.000 0.000 0.226 15 S C 2.168 176.764 174.600 -0.007 0.000 1.026 15 S CA 0.877 59.087 58.200 0.016 0.000 0.972 15 S CB -1.655 61.552 63.200 0.010 0.000 0.814 15 S HN 0.599 nan 8.310 nan 0.000 0.477 16 G N 2.005 110.811 108.800 0.010 0.000 2.402 16 G HA2 -0.000 3.960 3.960 0.000 0.000 0.216 16 G HA3 -0.000 3.960 3.960 0.000 0.000 0.216 16 G C 1.399 176.306 174.900 0.013 0.000 1.162 16 G CA 0.782 45.878 45.100 -0.006 0.000 0.777 16 G HN 0.446 nan 8.290 nan 0.000 0.539 17 I N 1.311 121.908 120.570 0.045 0.000 2.252 17 I HA -0.105 4.065 4.170 0.000 0.000 0.245 17 I C 2.922 179.098 176.117 0.100 0.000 1.102 17 I CA 1.438 62.812 61.300 0.124 0.000 1.385 17 I CB -0.859 37.200 38.000 0.100 0.000 1.064 17 I HN 0.262 nan 8.210 nan 0.000 0.414 18 S N 0.760 116.480 115.700 0.032 0.000 2.368 18 S HA -0.137 4.333 4.470 0.000 0.000 0.225 18 S C 2.239 176.733 174.600 -0.177 0.000 1.030 18 S CA 1.515 59.668 58.200 -0.078 0.000 0.999 18 S CB -0.088 63.014 63.200 -0.163 0.000 0.844 18 S HN 0.458 nan 8.310 nan 0.000 0.459 19 A N 1.365 124.102 122.820 -0.138 0.000 1.873 19 A HA 0.251 4.571 4.320 0.000 0.000 0.215 19 A C 2.490 179.957 177.584 -0.196 0.000 1.186 19 A CA 1.791 53.730 52.037 -0.165 0.000 0.616 19 A CB -1.434 17.492 19.000 -0.124 0.000 0.823 19 A HN 0.782 nan 8.150 nan 0.000 0.442 20 A N -0.185 122.546 122.820 -0.149 0.000 1.972 20 A HA -0.173 4.147 4.320 0.000 0.000 0.219 20 A C 2.105 179.373 177.584 -0.527 0.000 1.169 20 A CA 2.064 54.001 52.037 -0.168 0.000 0.635 20 A CB -0.450 18.594 19.000 0.073 0.000 0.810 20 A HN 0.588 nan 8.150 nan 0.000 0.446 21 K N -0.562 119.368 120.400 -0.783 0.000 2.057 21 K HA -0.218 4.103 4.320 0.000 0.000 0.207 21 K C 2.264 178.511 176.600 -0.588 0.000 1.049 21 K CA 1.704 57.256 56.287 -1.226 0.000 0.931 21 K CB -0.147 31.935 32.500 -0.697 0.000 0.714 21 K HN 0.283 nan 8.250 nan 0.000 0.440 22 R N 0.483 120.760 120.500 -0.372 0.000 2.092 22 R HA -0.059 4.281 4.340 0.000 0.000 0.231 22 R C 1.963 178.129 176.300 -0.225 0.000 1.119 22 R CA 1.095 57.045 56.100 -0.250 0.000 0.970 22 R CB -0.594 29.579 30.300 -0.212 0.000 0.864 22 R HN 0.188 nan 8.270 nan 0.000 0.440 23 L N 0.137 121.215 121.223 -0.241 0.000 2.005 23 L HA -0.051 4.289 4.340 0.000 0.000 0.207 23 L C 2.384 179.155 176.870 -0.165 0.000 1.072 23 L CA 2.202 56.929 54.840 -0.188 0.000 0.744 23 L CB -1.483 40.472 42.059 -0.172 0.000 0.895 23 L HN 0.305 nan 8.230 nan 0.000 0.433 24 S N -0.621 114.948 115.700 -0.218 0.000 2.365 24 S HA -0.253 4.217 4.470 0.000 0.000 0.225 24 S C 1.877 176.403 174.600 -0.123 0.000 1.039 24 S CA 1.742 59.852 58.200 -0.152 0.000 1.033 24 S CB -0.130 62.937 63.200 -0.221 0.000 0.887 24 S HN 0.530 nan 8.310 nan 0.000 0.447 25 E N 0.604 120.704 120.200 -0.166 0.000 2.160 25 E HA -0.072 4.279 4.350 0.000 0.000 0.195 25 E C 1.939 178.491 176.600 -0.080 0.000 0.991 25 E CA 1.070 57.405 56.400 -0.109 0.000 0.810 25 E CB -0.246 29.386 29.700 -0.113 0.000 0.742 25 E HN 0.622 nan 8.360 nan 0.000 0.466 26 A N 0.001 122.767 122.820 -0.091 0.000 2.276 26 A HA 0.296 4.616 4.320 0.000 0.000 0.212 26 A C 1.611 179.162 177.584 -0.054 0.000 1.230 26 A CA 0.729 52.724 52.037 -0.070 0.000 0.844 26 A CB -0.401 18.548 19.000 -0.085 0.000 0.860 26 A HN 0.336 nan 8.150 nan 0.000 0.486 27 G N -0.807 107.963 108.800 -0.050 0.000 2.176 27 G HA2 -0.217 3.743 3.960 0.000 0.000 0.253 27 G HA3 -0.217 3.743 3.960 0.000 0.000 0.253 27 G C 0.149 175.032 174.900 -0.029 0.000 0.979 27 G CA 0.174 45.255 45.100 -0.032 0.000 0.641 27 G HN 0.520 nan 8.290 nan 0.000 0.530 28 I N 2.819 123.362 120.570 -0.045 0.000 2.278 28 I HA 0.268 4.438 4.170 0.000 0.000 0.296 28 I C 1.619 177.720 176.117 -0.027 0.000 1.121 28 I CA 0.629 61.910 61.300 -0.033 0.000 1.267 28 I CB 0.768 38.739 38.000 -0.049 0.000 1.447 28 I HN 0.249 nan 8.210 nan 0.000 0.509 29 T N -0.898 113.653 114.554 -0.006 0.000 3.010 29 T HA 0.044 4.394 4.350 0.000 0.000 0.257 29 T C 0.662 175.370 174.700 0.015 0.000 1.020 29 T CA -0.251 61.856 62.100 0.011 0.000 0.938 29 T CB 0.011 68.888 68.868 0.016 0.000 1.049 29 T HN 0.345 nan 8.240 nan 0.000 0.522 30 D N 1.959 122.364 120.400 0.009 0.000 2.558 30 D HA 0.307 4.947 4.640 0.000 0.000 0.221 30 D C -0.418 175.884 176.300 0.004 0.000 1.143 30 D CA -0.305 53.699 54.000 0.008 0.000 1.010 30 D CB -0.644 40.162 40.800 0.011 0.000 1.068 30 D HN 0.461 nan 8.370 nan 0.000 0.511 31 L N 1.965 123.188 121.223 0.000 0.000 2.333 31 L HA 0.589 4.930 4.340 0.000 0.000 0.269 31 L C -0.691 176.156 176.870 -0.038 0.000 1.010 31 L CA -1.346 53.488 54.840 -0.010 0.000 0.818 31 L CB 2.060 44.130 42.059 0.018 0.000 1.306 31 L HN 0.097 nan 8.230 nan 0.000 0.430 32 L N 3.134 124.314 121.223 -0.072 0.000 2.491 32 L HA 0.539 4.879 4.340 0.000 0.000 0.267 32 L C -1.224 175.559 176.870 -0.146 0.000 0.971 32 L CA 0.048 54.803 54.840 -0.142 0.000 0.857 32 L CB 1.435 43.357 42.059 -0.229 0.000 1.226 32 L HN 0.378 nan 8.230 nan 0.000 0.408 33 I N 6.071 126.565 120.570 -0.126 0.000 2.312 33 I HA 0.350 4.520 4.170 0.000 0.000 0.290 33 I C -0.579 175.446 176.117 -0.153 0.000 1.008 33 I CA -0.376 60.857 61.300 -0.113 0.000 1.226 33 I CB 1.126 39.083 38.000 -0.072 0.000 1.371 33 I HN 0.457 nan 8.210 nan 0.000 0.468 34 L N 6.372 127.496 121.223 -0.165 0.000 2.265 34 L HA 0.437 4.777 4.340 0.000 0.000 0.289 34 L C -0.147 176.630 176.870 -0.157 0.000 1.033 34 L CA -0.434 54.301 54.840 -0.175 0.000 0.814 34 L CB 1.176 43.126 42.059 -0.182 0.000 1.203 34 L HN 0.523 nan 8.230 nan 0.000 0.423 35 E N 2.438 122.536 120.200 -0.169 0.000 2.158 35 E HA 0.494 4.844 4.350 0.000 0.000 0.271 35 E C 0.360 176.790 176.600 -0.283 0.000 0.911 35 E CA -0.278 55.994 56.400 -0.213 0.000 0.767 35 E CB 2.026 31.609 29.700 -0.195 0.000 1.120 35 E HN 0.557 nan 8.360 nan 0.000 0.405 36 A N 3.591 126.158 122.820 -0.422 0.000 1.883 36 A HA -0.057 4.264 4.320 0.000 0.000 0.217 36 A C 1.332 178.527 177.584 -0.648 0.000 1.186 36 A CA 1.926 53.562 52.037 -0.668 0.000 0.624 36 A CB -1.208 17.015 19.000 -1.295 0.000 0.822 36 A HN 0.749 nan 8.150 nan 0.000 0.444 37 T N -1.813 112.370 114.554 -0.618 0.000 2.770 37 T HA 0.329 4.679 4.350 0.000 0.000 0.281 37 T C 0.434 174.987 174.700 -0.244 0.000 0.981 37 T CA 0.225 62.077 62.100 -0.414 0.000 0.955 37 T CB 0.697 69.259 68.868 -0.509 0.000 1.060 37 T HN 0.385 nan 8.240 nan 0.000 0.531 38 D N -0.695 119.669 120.400 -0.060 0.000 2.324 38 D HA 0.014 4.654 4.640 0.000 0.000 0.235 38 D C 0.699 177.086 176.300 0.144 0.000 1.095 38 D CA 0.054 54.090 54.000 0.061 0.000 0.871 38 D CB -0.609 40.273 40.800 0.135 0.000 0.906 38 D HN 0.857 nan 8.370 nan 0.000 0.522 39 H N -1.583 117.497 119.070 0.017 0.000 2.948 39 H HA 0.433 4.989 4.556 0.000 0.000 0.315 39 H C -0.358 174.981 175.328 0.019 0.000 1.360 39 H CA -1.173 54.920 56.048 0.076 0.000 1.125 39 H CB 0.568 30.438 29.762 0.179 0.000 1.844 39 H HN -0.001 nan 8.280 nan 0.000 0.529 40 I N -2.899 117.711 120.570 0.067 0.000 3.062 40 I HA 0.698 4.868 4.170 0.000 0.000 0.316 40 I C 1.034 177.181 176.117 0.049 0.000 1.041 40 I CA -0.203 61.033 61.300 -0.106 0.000 1.069 40 I CB 1.656 39.474 38.000 -0.302 0.000 1.300 40 I HN 0.931 nan 8.210 nan 0.000 0.518 41 G N 0.737 109.546 108.800 0.016 0.000 2.284 41 G HA2 -0.059 3.901 3.960 0.000 0.000 0.216 41 G HA3 -0.059 3.901 3.960 0.000 0.000 0.216 41 G C 0.985 176.003 174.900 0.196 0.000 1.009 41 G CA 0.195 45.373 45.100 0.131 0.000 0.625 41 G HN 1.990 nan 8.290 nan 0.000 0.501 42 G N 0.693 109.633 108.800 0.233 0.000 2.690 42 G HA2 -0.440 3.520 3.960 0.000 0.000 0.334 42 G HA3 -0.440 3.520 3.960 0.000 0.000 0.334 42 G C 1.054 176.125 174.900 0.285 0.000 1.250 42 G CA 1.740 47.059 45.100 0.364 0.000 0.994 42 G HN 1.217 nan 8.290 nan 0.000 0.549 43 R N 0.333 120.928 120.500 0.159 0.000 2.357 43 R HA 0.186 4.526 4.340 0.000 0.000 0.202 43 R C 0.948 177.250 176.300 0.003 0.000 1.047 43 R CA 0.620 56.652 56.100 -0.113 0.000 1.034 43 R CB -0.147 29.992 30.300 -0.269 0.000 0.875 43 R HN 0.428 nan 8.270 nan 0.000 0.473 44 M N 0.286 119.956 119.600 0.117 0.000 2.055 44 M HA 0.187 4.667 4.480 0.000 0.000 0.347 44 M C -1.024 175.479 176.300 0.338 0.000 1.123 44 M CA -0.260 55.108 55.300 0.112 0.000 1.035 44 M CB 1.336 33.911 32.600 -0.042 0.000 1.484 44 M HN -0.062 nan 8.290 nan 0.000 0.428 45 H N 2.810 122.025 119.070 0.241 0.000 3.137 45 H HA 0.350 4.906 4.556 0.000 0.000 0.336 45 H C -1.498 173.943 175.328 0.187 0.000 1.055 45 H CA -0.964 55.222 56.048 0.230 0.000 1.349 45 H CB 1.386 31.319 29.762 0.285 0.000 1.939 45 H HN 0.613 nan 8.280 nan 0.000 0.487 46 K N 2.579 122.780 120.400 -0.330 0.000 2.132 46 K HA 0.741 5.061 4.320 0.000 0.000 0.241 46 K C -0.808 175.556 176.600 -0.394 0.000 1.000 46 K CA -0.797 55.347 56.287 -0.239 0.000 0.911 46 K CB 2.206 34.618 32.500 -0.146 0.000 1.093 46 K HN 0.437 nan 8.250 nan 0.000 0.460 47 T N -0.435 113.983 114.554 -0.227 0.000 2.840 47 T HA 0.146 4.496 4.350 0.000 0.000 0.317 47 T C -1.731 172.880 174.700 -0.148 0.000 1.401 47 T CA -0.886 61.103 62.100 -0.185 0.000 1.028 47 T CB 1.324 70.123 68.868 -0.115 0.000 1.317 47 T HN 0.730 nan 8.240 nan 0.000 0.495 48 N N 2.560 121.200 118.700 -0.101 0.000 2.430 48 N HA 0.309 5.049 4.740 0.000 0.000 0.265 48 N C -1.451 174.047 175.510 -0.020 0.000 1.100 48 N CA -0.017 52.983 53.050 -0.084 0.000 0.961 48 N CB 0.409 38.852 38.487 -0.073 0.000 1.075 48 N HN 0.473 nan 8.380 nan 0.000 0.478 49 F N 3.726 123.529 119.950 -0.246 0.000 2.507 49 F HA 0.479 5.006 4.527 0.000 0.000 0.328 49 F C 0.428 176.121 175.800 -0.179 0.000 1.136 49 F CA -0.641 57.226 58.000 -0.221 0.000 0.930 49 F CB 0.883 39.678 39.000 -0.341 0.000 1.166 49 F HN 0.644 nan 8.300 nan 0.000 0.436 50 A N 4.035 126.473 122.820 -0.636 0.000 2.783 50 A HA 0.117 4.437 4.320 0.000 0.000 0.292 50 A C 1.659 179.051 177.584 -0.321 0.000 1.495 50 A CA 1.542 53.214 52.037 -0.607 0.000 0.787 50 A CB -2.169 16.251 19.000 -0.967 0.000 1.017 50 A HN 2.711 nan 8.150 nan 0.000 0.516 51 G N -2.334 106.339 108.800 -0.213 0.000 2.176 51 G HA2 -0.122 3.838 3.960 0.000 0.000 0.253 51 G HA3 -0.122 3.838 3.960 0.000 0.000 0.253 51 G C 0.293 175.115 174.900 -0.130 0.000 0.979 51 G CA 0.626 45.642 45.100 -0.141 0.000 0.641 51 G HN 2.470 nan 8.290 nan 0.000 0.530 52 I N -3.255 117.213 120.570 -0.171 0.000 2.828 52 I HA 0.709 4.879 4.170 0.000 0.000 0.302 52 I C -0.885 175.107 176.117 -0.209 0.000 1.101 52 I CA -1.579 59.609 61.300 -0.186 0.000 1.031 52 I CB 1.834 39.655 38.000 -0.299 0.000 1.231 52 I HN -0.162 nan 8.210 nan 0.000 0.427 53 N N 3.567 122.165 118.700 -0.169 0.000 2.422 53 N HA 0.508 5.248 4.740 0.000 0.000 0.264 53 N C -0.450 174.922 175.510 -0.229 0.000 1.063 53 N CA -0.229 52.725 53.050 -0.160 0.000 0.959 53 N CB 1.675 40.111 38.487 -0.084 0.000 1.087 53 N HN 0.602 nan 8.380 nan 0.000 0.483 54 V N -0.637 119.082 119.914 -0.326 0.000 3.113 54 V HA 0.607 4.727 4.120 0.000 0.000 0.316 54 V C -0.082 175.894 176.094 -0.196 0.000 1.125 54 V CA -0.970 61.091 62.300 -0.399 0.000 1.026 54 V CB 2.273 33.459 31.823 -1.063 0.000 1.080 54 V HN 0.311 nan 8.190 nan 0.000 0.444 55 E N 1.598 121.804 120.200 0.010 0.000 2.200 55 E HA 0.414 4.764 4.350 0.000 0.000 0.283 55 E C 0.547 177.337 176.600 0.317 0.000 1.015 55 E CA -0.252 56.241 56.400 0.154 0.000 0.819 55 E CB 1.976 31.789 29.700 0.189 0.000 1.081 55 E HN 0.706 nan 8.360 nan 0.000 0.397 56 L N 1.400 122.830 121.223 0.344 0.000 2.179 56 L HA -0.002 4.338 4.340 0.000 0.000 0.208 56 L C 1.471 178.834 176.870 0.822 0.000 1.096 56 L CA 1.166 56.335 54.840 0.549 0.000 0.779 56 L CB -0.062 42.281 42.059 0.474 0.000 0.922 56 L HN 0.505 nan 8.230 nan 0.000 0.443 57 G N -0.944 108.237 108.800 0.635 0.000 3.310 57 G HA2 0.537 4.497 3.960 0.000 0.000 0.176 57 G HA3 0.537 4.497 3.960 0.000 0.000 0.176 57 G C -0.304 174.729 174.900 0.221 0.000 1.307 57 G CA 0.159 45.426 45.100 0.279 0.000 0.935 57 G HN 0.192 nan 8.290 nan 0.000 0.628 58 A N -0.713 122.168 122.820 0.101 0.000 2.555 58 A HA 0.314 4.634 4.320 0.000 0.000 0.233 58 A C 0.655 178.456 177.584 0.363 0.000 1.060 58 A CA 1.072 53.208 52.037 0.164 0.000 0.759 58 A CB -0.011 18.969 19.000 -0.034 0.000 0.995 58 A HN 0.734 nan 8.150 nan 0.000 0.506 59 N N -0.435 118.518 118.700 0.422 0.000 2.104 59 N HA 0.132 4.872 4.740 0.000 0.000 0.227 59 N C -0.547 174.818 175.510 -0.241 0.000 1.321 59 N CA -0.295 52.744 53.050 -0.018 0.000 0.877 59 N CB 0.347 38.522 38.487 -0.520 0.000 1.117 59 N HN 0.765 nan 8.380 nan 0.000 0.486 60 W N 1.324 122.709 121.300 0.141 0.000 2.719 60 W HA 0.544 5.204 4.660 0.000 0.000 0.352 60 W C -0.719 175.951 176.519 0.252 0.000 1.085 60 W CA -0.614 56.808 57.345 0.128 0.000 1.187 60 W CB 1.409 30.998 29.460 0.215 0.000 1.417 60 W HN -0.419 nan 8.180 nan 0.000 0.557 61 V N 2.504 122.690 119.914 0.453 0.000 2.333 61 V HA 0.126 4.246 4.120 0.000 0.000 0.274 61 V C 0.020 176.338 176.094 0.374 0.000 1.028 61 V CA -0.421 62.132 62.300 0.421 0.000 0.851 61 V CB 0.822 32.878 31.823 0.389 0.000 1.000 61 V HN 0.360 nan 8.190 nan 0.000 0.456 62 E N 3.571 123.965 120.200 0.324 0.000 2.156 62 E HA 0.596 4.946 4.350 0.000 0.000 0.279 62 E C 0.454 177.068 176.600 0.022 0.000 0.965 62 E CA -0.218 56.314 56.400 0.220 0.000 0.789 62 E CB 1.849 31.623 29.700 0.122 0.000 1.098 62 E HN 0.952 nan 8.360 nan 0.000 0.397 63 G N 1.514 110.416 108.800 0.170 0.000 2.780 63 G HA2 -0.097 3.863 3.960 0.000 0.000 0.364 63 G HA3 -0.097 3.863 3.960 0.000 0.000 0.364 63 G C -0.683 174.208 174.900 -0.014 0.000 1.045 63 G CA -0.603 44.573 45.100 0.128 0.000 1.202 63 G HN 0.336 nan 8.290 nan 0.000 0.534 64 V N 2.433 122.341 119.914 -0.010 0.000 3.049 64 V HA 0.742 4.862 4.120 0.000 0.000 0.309 64 V C 0.645 176.691 176.094 -0.080 0.000 1.148 64 V CA -0.418 61.744 62.300 -0.230 0.000 0.990 64 V CB 2.035 33.510 31.823 -0.580 0.000 1.039 64 V HN 0.970 nan 8.190 nan 0.000 0.430 65 N N 0.698 119.327 118.700 -0.119 0.000 2.829 65 N HA -0.130 4.610 4.740 0.000 0.000 0.250 65 N C 0.210 175.735 175.510 0.025 0.000 1.090 65 N CA 1.206 54.245 53.050 -0.019 0.000 0.781 65 N CB -0.971 37.529 38.487 0.022 0.000 1.124 65 N HN 1.096 nan 8.380 nan 0.000 0.559 66 G N -0.989 107.838 108.800 0.046 0.000 2.642 66 G HA2 0.567 4.527 3.960 0.000 0.000 0.291 66 G HA3 0.567 4.527 3.960 0.000 0.000 0.291 66 G C 1.114 176.054 174.900 0.068 0.000 1.345 66 G CA -0.001 45.139 45.100 0.066 0.000 1.043 66 G HN 0.117 nan 8.290 nan 0.000 0.528 67 G N -1.391 107.443 108.800 0.057 0.000 2.498 67 G HA2 0.042 4.002 3.960 0.000 0.000 0.219 67 G HA3 0.042 4.002 3.960 0.000 0.000 0.219 67 G C 0.752 175.700 174.900 0.080 0.000 1.119 67 G CA 0.721 45.851 45.100 0.051 0.000 0.766 67 G HN 0.461 nan 8.290 nan 0.000 0.552 68 K N -0.899 119.584 120.400 0.138 0.000 2.435 68 K HA 0.534 4.854 4.320 0.000 0.000 0.251 68 K C -1.157 175.606 176.600 0.272 0.000 0.954 68 K CA -1.116 55.295 56.287 0.208 0.000 0.820 68 K CB 1.968 34.606 32.500 0.231 0.000 1.292 68 K HN 0.009 nan 8.250 nan 0.000 0.436 69 M N 3.426 123.122 119.600 0.161 0.000 2.105 69 M HA 0.170 4.650 4.480 0.000 0.000 0.350 69 M C -0.428 175.678 176.300 -0.323 0.000 1.308 69 M CA -0.219 55.083 55.300 0.003 0.000 1.108 69 M CB 0.269 32.877 32.600 0.015 0.000 1.622 69 M HN 0.375 nan 8.290 nan 0.000 0.468 70 N N 7.332 125.623 118.700 -0.681 0.000 2.434 70 N HA 0.059 4.799 4.740 0.000 0.000 0.268 70 N C -1.917 173.250 175.510 -0.573 0.000 1.256 70 N CA -1.093 51.157 53.050 -1.334 0.000 0.914 70 N CB 0.957 38.888 38.487 -0.927 0.000 1.088 70 N HN 0.470 nan 8.380 nan 0.000 0.478 71 P HA -0.156 nan 4.420 nan 0.000 0.218 71 P C 1.443 178.561 177.300 -0.303 0.000 1.146 71 P CA 0.846 63.785 63.100 -0.267 0.000 0.813 71 P CB 0.370 31.979 31.700 -0.151 0.000 0.778 72 I N -1.753 118.651 120.570 -0.276 0.000 2.500 72 I HA -0.132 4.038 4.170 0.000 0.000 0.252 72 I C 2.525 178.640 176.117 -0.004 0.000 1.142 72 I CA 0.609 61.822 61.300 -0.145 0.000 1.451 72 I CB -1.575 36.445 38.000 0.034 0.000 1.093 72 I HN 0.122 nan 8.210 nan 0.000 0.430 73 W N 3.366 124.527 121.300 -0.232 0.000 2.335 73 W HA -0.194 4.466 4.660 0.000 0.000 0.311 73 W C -0.714 175.689 176.519 -0.193 0.000 1.213 73 W CA 1.554 58.773 57.345 -0.209 0.000 1.274 73 W CB -1.284 28.031 29.460 -0.242 0.000 1.148 73 W HN 0.073 nan 8.180 nan 0.000 0.498 74 P HA -0.213 nan 4.420 nan 0.000 0.215 74 P C 1.587 178.662 177.300 -0.375 0.000 1.153 74 P CA 2.317 65.207 63.100 -0.351 0.000 0.853 74 P CB -0.348 31.249 31.700 -0.170 0.000 0.788 75 I N -1.792 118.607 120.570 -0.285 0.000 2.315 75 I HA -0.167 4.003 4.170 0.000 0.000 0.248 75 I C 2.182 178.097 176.117 -0.338 0.000 1.117 75 I CA 1.176 62.293 61.300 -0.304 0.000 1.404 75 I CB -0.755 37.129 38.000 -0.193 0.000 1.071 75 I HN -0.158 nan 8.210 nan 0.000 0.419 76 V N 1.025 120.742 119.914 -0.327 0.000 2.302 76 V HA -0.200 3.920 4.120 0.000 0.000 0.243 76 V C 2.064 177.828 176.094 -0.550 0.000 1.036 76 V CA 2.078 64.179 62.300 -0.332 0.000 1.020 76 V CB -0.613 31.075 31.823 -0.225 0.000 0.657 76 V HN 0.417 nan 8.190 nan 0.000 0.453 77 N N -1.113 117.007 118.700 -0.967 0.000 2.412 77 N HA -0.023 4.717 4.740 0.000 0.000 0.184 77 N C 1.480 176.594 175.510 -0.660 0.000 1.101 77 N CA 1.088 53.485 53.050 -1.089 0.000 0.881 77 N CB 0.397 37.642 38.487 -2.071 0.000 0.969 77 N HN 0.400 nan 8.380 nan 0.000 0.459 78 S N -2.557 112.826 115.700 -0.529 0.000 3.472 78 S HA 0.092 4.562 4.470 0.000 0.000 0.247 78 S C 1.537 175.960 174.600 -0.295 0.000 1.084 78 S CA 0.073 58.059 58.200 -0.355 0.000 0.795 78 S CB -0.162 62.854 63.200 -0.307 0.000 0.892 78 S HN 0.177 nan 8.310 nan 0.000 0.513 79 T N 3.268 117.625 114.554 -0.328 0.000 2.708 79 T HA 0.086 4.436 4.350 0.000 0.000 0.266 79 T C 1.546 176.042 174.700 -0.340 0.000 1.037 79 T CA 1.200 63.093 62.100 -0.344 0.000 1.146 79 T CB -0.294 68.273 68.868 -0.503 0.000 0.865 79 T HN 0.175 nan 8.240 nan 0.000 0.435 80 L N -0.355 120.660 121.223 -0.347 0.000 2.463 80 L HA 0.267 4.607 4.340 0.000 0.000 0.219 80 L C 0.505 177.252 176.870 -0.204 0.000 1.088 80 L CA 0.076 54.762 54.840 -0.256 0.000 0.849 80 L CB -0.117 41.812 42.059 -0.217 0.000 1.012 80 L HN 0.169 nan 8.230 nan 0.000 0.468 81 K N 1.482 121.731 120.400 -0.252 0.000 3.244 81 K HA -0.160 4.160 4.320 0.000 0.000 0.270 81 K C -0.442 176.046 176.600 -0.186 0.000 1.016 81 K CA 0.238 56.389 56.287 -0.227 0.000 0.754 81 K CB -1.798 30.600 32.500 -0.171 0.000 1.326 81 K HN 0.270 nan 8.250 nan 0.000 0.465 82 L N 0.862 121.967 121.223 -0.197 0.000 2.380 82 L HA 0.199 4.539 4.340 0.000 0.000 0.273 82 L C 1.188 177.973 176.870 -0.143 0.000 1.138 82 L CA -0.389 54.371 54.840 -0.132 0.000 0.832 82 L CB 0.608 42.602 42.059 -0.108 0.000 1.124 82 L HN 0.258 nan 8.230 nan 0.000 0.454 83 R N 3.167 123.609 120.500 -0.097 0.000 2.570 83 R HA 0.108 4.448 4.340 0.000 0.000 0.277 83 R C -0.677 175.529 176.300 -0.156 0.000 1.039 83 R CA 0.127 56.142 56.100 -0.141 0.000 1.065 83 R CB 0.307 30.582 30.300 -0.041 0.000 0.964 83 R HN 0.910 nan 8.270 nan 0.000 0.428 84 N N 1.830 120.305 118.700 -0.376 0.000 2.961 84 N HA 0.379 5.119 4.740 0.000 0.000 0.245 84 N C -1.823 173.382 175.510 -0.509 0.000 1.404 84 N CA -0.825 52.121 53.050 -0.173 0.000 0.880 84 N CB 0.963 39.515 38.487 0.108 0.000 1.461 84 N HN 0.292 nan 8.380 nan 0.000 0.510 85 F N -0.909 119.222 119.950 0.302 0.000 2.574 85 F HA 0.495 5.022 4.527 0.000 0.000 0.313 85 F C 0.375 176.241 175.800 0.110 0.000 1.130 85 F CA -0.831 57.297 58.000 0.212 0.000 0.936 85 F CB 2.164 41.204 39.000 0.068 0.000 1.219 85 F HN 0.434 nan 8.300 nan 0.000 0.445 86 R N 1.533 122.047 120.500 0.023 0.000 2.522 86 R HA 0.307 4.647 4.340 0.000 0.000 0.284 86 R C -0.448 175.790 176.300 -0.103 0.000 1.032 86 R CA 0.129 55.889 56.100 -0.567 0.000 1.049 86 R CB 0.517 30.487 30.300 -0.549 0.000 0.956 86 R HN 0.714 nan 8.270 nan 0.000 0.422 87 S N 2.921 118.604 115.700 -0.028 0.000 2.523 87 S HA 0.032 4.502 4.470 0.000 0.000 0.275 87 S C -0.464 173.973 174.600 -0.271 0.000 1.281 87 S CA -0.497 57.714 58.200 0.019 0.000 1.050 87 S CB 1.089 64.346 63.200 0.096 0.000 0.937 87 S HN 0.525 nan 8.310 nan 0.000 0.492 88 D N 1.705 121.986 120.400 -0.197 0.000 2.414 88 D HA 0.264 4.904 4.640 0.000 0.000 0.232 88 D C -0.641 175.549 176.300 -0.184 0.000 1.070 88 D CA -0.619 53.310 54.000 -0.118 0.000 0.839 88 D CB 0.383 41.242 40.800 0.097 0.000 1.079 88 D HN 0.413 nan 8.370 nan 0.000 0.521 89 F N 1.407 121.406 119.950 0.082 0.000 2.641 89 F HA 0.140 4.668 4.527 0.000 0.000 0.302 89 F C 1.616 177.413 175.800 -0.006 0.000 1.098 89 F CA -0.504 57.504 58.000 0.012 0.000 1.318 89 F CB 0.532 39.469 39.000 -0.104 0.000 1.035 89 F HN 0.229 nan 8.300 nan 0.000 0.551 90 D N -0.445 120.019 120.400 0.107 0.000 2.309 90 D HA -0.174 4.466 4.640 0.000 0.000 0.212 90 D C 0.849 176.932 176.300 -0.363 0.000 0.968 90 D CA 1.387 55.287 54.000 -0.167 0.000 0.882 90 D CB -0.185 40.400 40.800 -0.360 0.000 0.918 90 D HN 0.363 nan 8.370 nan 0.000 0.503 91 Y N -0.195 120.142 120.300 0.061 0.000 2.658 91 Y HA 0.290 4.840 4.550 0.000 0.000 0.276 91 Y C 1.794 177.727 175.900 0.054 0.000 1.167 91 Y CA -0.313 57.817 58.100 0.051 0.000 1.230 91 Y CB -0.141 38.355 38.460 0.061 0.000 1.144 91 Y HN -0.136 nan 8.280 nan 0.000 0.529 92 L N -0.211 121.086 121.223 0.124 0.000 2.079 92 L HA -0.262 4.078 4.340 0.000 0.000 0.210 92 L C 2.532 179.428 176.870 0.043 0.000 1.081 92 L CA 1.341 56.220 54.840 0.066 0.000 0.752 92 L CB -0.453 41.530 42.059 -0.127 0.000 0.896 92 L HN 0.400 nan 8.230 nan 0.000 0.433 93 A N -0.794 122.029 122.820 0.004 0.000 2.076 93 A HA -0.235 4.085 4.320 0.000 0.000 0.220 93 A C 2.044 179.648 177.584 0.034 0.000 1.160 93 A CA 1.447 53.478 52.037 -0.009 0.000 0.653 93 A CB -0.339 18.639 19.000 -0.038 0.000 0.801 93 A HN 0.550 nan 8.150 nan 0.000 0.455 94 Q N -0.788 119.058 119.800 0.076 0.000 2.319 94 Q HA 0.131 4.471 4.340 0.000 0.000 0.202 94 Q C -0.245 175.779 176.000 0.039 0.000 0.896 94 Q CA -0.067 55.776 55.803 0.067 0.000 0.942 94 Q CB 0.333 29.141 28.738 0.117 0.000 1.083 94 Q HN 0.551 nan 8.270 nan 0.000 0.510 95 N N 0.254 119.001 118.700 0.079 0.000 2.571 95 N HA 0.145 4.885 4.740 0.000 0.000 0.298 95 N C -1.322 174.289 175.510 0.168 0.000 1.671 95 N CA 0.139 53.260 53.050 0.118 0.000 0.900 95 N CB 1.897 40.560 38.487 0.294 0.000 1.365 95 N HN -0.106 nan 8.380 nan 0.000 0.493 96 V N 1.998 121.944 119.914 0.053 0.000 2.347 96 V HA 0.355 4.475 4.120 0.000 0.000 0.280 96 V C -0.449 175.740 176.094 0.158 0.000 1.021 96 V CA -0.611 61.804 62.300 0.191 0.000 0.847 96 V CB 0.330 32.235 31.823 0.138 0.000 0.990 96 V HN 0.124 nan 8.190 nan 0.000 0.444 97 Y N 3.067 123.533 120.300 0.276 0.000 2.301 97 Y HA 0.402 4.952 4.550 0.000 0.000 0.325 97 Y C 0.940 176.976 175.900 0.227 0.000 1.203 97 Y CA -0.658 57.555 58.100 0.188 0.000 1.255 97 Y CB 0.858 39.393 38.460 0.124 0.000 1.232 97 Y HN 0.466 nan 8.280 nan 0.000 0.501 98 K N 1.599 122.064 120.400 0.108 0.000 2.270 98 K HA 0.023 4.343 4.320 0.000 0.000 0.276 98 K C 0.948 177.619 176.600 0.119 0.000 1.023 98 K CA -0.353 55.898 56.287 -0.060 0.000 0.955 98 K CB 1.004 33.291 32.500 -0.356 0.000 0.975 98 K HN 0.793 nan 8.250 nan 0.000 0.471 99 E N 1.898 122.115 120.200 0.029 0.000 2.114 99 E HA -0.246 4.104 4.350 0.000 0.000 0.199 99 E C 0.034 176.800 176.600 0.277 0.000 1.008 99 E CA 1.454 57.897 56.400 0.073 0.000 0.810 99 E CB 0.245 29.959 29.700 0.023 0.000 0.739 99 E HN 0.447 nan 8.360 nan 0.000 0.456 100 D N -0.466 120.008 120.400 0.125 0.000 2.895 100 D HA 0.224 4.864 4.640 0.000 0.000 0.258 100 D C -0.510 175.814 176.300 0.040 0.000 1.311 100 D CA 0.599 54.651 54.000 0.086 0.000 0.843 100 D CB 0.528 41.367 40.800 0.064 0.000 1.055 100 D HN 0.301 nan 8.370 nan 0.000 0.486 101 G N 0.067 108.903 108.800 0.060 0.000 3.225 101 G HA2 0.346 4.306 3.960 0.000 0.000 0.686 101 G HA3 0.346 4.306 3.960 0.000 0.000 0.686 101 G C 0.276 175.157 174.900 -0.031 0.000 1.105 101 G CA -0.499 44.611 45.100 0.016 0.000 0.831 101 G HN 0.581 nan 8.290 nan 0.000 0.578 102 G N -0.700 108.102 108.800 0.004 0.000 2.829 102 G HA2 0.391 4.351 3.960 0.000 0.000 0.628 102 G HA3 0.391 4.351 3.960 0.000 0.000 0.628 102 G C 0.523 175.291 174.900 -0.219 0.000 1.412 102 G CA 0.384 45.443 45.100 -0.068 0.000 0.864 102 G HN 2.490 nan 8.290 nan 0.000 0.544 103 V N -1.730 117.966 119.914 -0.364 0.000 2.863 103 V HA 0.788 4.908 4.120 0.000 0.000 0.307 103 V C 0.624 176.589 176.094 -0.216 0.000 1.061 103 V CA -1.354 60.697 62.300 -0.416 0.000 1.024 103 V CB 1.219 32.730 31.823 -0.519 0.000 1.049 103 V HN 0.917 nan 8.190 nan 0.000 0.471 104 Y N 0.556 120.802 120.300 -0.091 0.000 2.299 104 Y HA 0.220 4.770 4.550 0.000 0.000 0.335 104 Y C 1.140 177.055 175.900 0.024 0.000 1.287 104 Y CA 0.371 58.482 58.100 0.018 0.000 1.424 104 Y CB 0.318 38.855 38.460 0.128 0.000 1.326 104 Y HN 0.876 nan 8.280 nan 0.000 0.567 105 D N 1.886 122.435 120.400 0.248 0.000 2.458 105 D HA -0.097 4.543 4.640 0.000 0.000 0.243 105 D C 0.865 177.276 176.300 0.185 0.000 1.146 105 D CA 0.122 54.222 54.000 0.166 0.000 0.877 105 D CB 0.879 41.765 40.800 0.144 0.000 1.176 105 D HN 0.872 nan 8.370 nan 0.000 0.461 106 E N 2.906 123.167 120.200 0.102 0.000 2.085 106 E HA -0.238 4.112 4.350 0.000 0.000 0.194 106 E C 0.775 177.405 176.600 0.050 0.000 0.994 106 E CA 1.326 57.766 56.400 0.066 0.000 0.801 106 E CB 0.210 29.938 29.700 0.047 0.000 0.743 106 E HN 0.502 nan 8.360 nan 0.000 0.453 107 D N -0.353 120.089 120.400 0.071 0.000 2.117 107 D HA -0.172 4.468 4.640 0.000 0.000 0.197 107 D C 1.659 178.004 176.300 0.075 0.000 0.987 107 D CA 0.933 54.967 54.000 0.057 0.000 0.829 107 D CB -0.511 40.325 40.800 0.061 0.000 0.961 107 D HN 0.306 nan 8.370 nan 0.000 0.460 108 Y N 1.919 122.228 120.300 0.014 0.000 2.097 108 Y HA -0.236 4.314 4.550 0.000 0.000 0.282 108 Y C 2.181 178.068 175.900 -0.021 0.000 1.152 108 Y CA 1.092 59.197 58.100 0.009 0.000 1.136 108 Y CB -0.663 37.823 38.460 0.044 0.000 0.975 108 Y HN -0.188 nan 8.280 nan 0.000 0.498 109 V N 0.626 120.381 119.914 -0.264 0.000 2.343 109 V HA -0.317 3.803 4.120 0.000 0.000 0.247 109 V C 2.402 178.335 176.094 -0.268 0.000 1.051 109 V CA 2.206 64.279 62.300 -0.378 0.000 1.036 109 V CB -0.944 30.781 31.823 -0.163 0.000 0.654 109 V HN 0.376 nan 8.190 nan 0.000 0.451 110 Q N 0.467 120.180 119.800 -0.145 0.000 2.135 110 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 110 Q C 2.132 178.057 176.000 -0.124 0.000 0.981 110 Q CA 1.793 57.529 55.803 -0.113 0.000 0.856 110 Q CB -0.279 28.419 28.738 -0.067 0.000 0.902 110 Q HN 0.606 nan 8.270 nan 0.000 0.425 111 K N -0.556 119.761 120.400 -0.138 0.000 2.057 111 K HA -0.090 4.230 4.320 0.000 0.000 0.206 111 K C 1.985 178.494 176.600 -0.151 0.000 1.050 111 K CA 1.107 57.326 56.287 -0.114 0.000 0.935 111 K CB -0.064 32.392 32.500 -0.073 0.000 0.715 111 K HN 0.105 nan 8.250 nan 0.000 0.439 112 R N 1.054 121.392 120.500 -0.270 0.000 2.096 112 R HA -0.048 4.292 4.340 0.000 0.000 0.235 112 R C 2.232 178.442 176.300 -0.151 0.000 1.127 112 R CA 1.117 57.072 56.100 -0.242 0.000 0.968 112 R CB -0.848 29.214 30.300 -0.396 0.000 0.861 112 R HN 0.312 nan 8.270 nan 0.000 0.440 113 I N 0.881 121.361 120.570 -0.150 0.000 2.252 113 I HA -0.219 3.951 4.170 0.000 0.000 0.245 113 I C 1.991 178.064 176.117 -0.073 0.000 1.102 113 I CA 1.281 62.521 61.300 -0.099 0.000 1.385 113 I CB -0.224 37.715 38.000 -0.102 0.000 1.064 113 I HN 0.206 nan 8.210 nan 0.000 0.414 114 E N 0.365 120.519 120.200 -0.077 0.000 2.106 114 E HA -0.197 4.153 4.350 0.000 0.000 0.192 114 E C 2.153 178.727 176.600 -0.043 0.000 0.984 114 E CA 0.892 57.259 56.400 -0.055 0.000 0.806 114 E CB 0.047 29.716 29.700 -0.051 0.000 0.750 114 E HN 0.246 nan 8.360 nan 0.000 0.458 115 L N 0.708 121.902 121.223 -0.048 0.000 2.017 115 L HA -0.157 4.183 4.340 0.000 0.000 0.208 115 L C 2.417 179.277 176.870 -0.016 0.000 1.073 115 L CA 1.893 56.714 54.840 -0.032 0.000 0.745 115 L CB -1.526 40.513 42.059 -0.034 0.000 0.894 115 L HN 0.099 nan 8.230 nan 0.000 0.432 116 A N -0.470 122.343 122.820 -0.013 0.000 1.908 116 A HA -0.237 4.083 4.320 0.000 0.000 0.218 116 A C 2.021 179.622 177.584 0.028 0.000 1.181 116 A CA 2.002 54.055 52.037 0.026 0.000 0.627 116 A CB -0.598 18.417 19.000 0.025 0.000 0.818 116 A HN 0.405 nan 8.150 nan 0.000 0.445 117 D N -0.242 120.152 120.400 -0.010 0.000 2.117 117 D HA -0.124 4.516 4.640 0.000 0.000 0.197 117 D C 2.521 178.819 176.300 -0.003 0.000 0.987 117 D CA 1.793 55.782 54.000 -0.018 0.000 0.829 117 D CB -0.375 40.401 40.800 -0.040 0.000 0.961 117 D HN 0.584 nan 8.370 nan 0.000 0.460 118 S N 0.055 115.750 115.700 -0.009 0.000 2.368 118 S HA -0.122 4.348 4.470 0.000 0.000 0.225 118 S C 2.229 176.827 174.600 -0.004 0.000 1.030 118 S CA 1.033 59.227 58.200 -0.010 0.000 0.999 118 S CB -0.661 62.528 63.200 -0.017 0.000 0.844 118 S HN 0.081 nan 8.310 nan 0.000 0.459 119 V N 2.365 122.281 119.914 0.004 0.000 2.295 119 V HA -0.188 3.933 4.120 0.000 0.000 0.246 119 V C 2.844 178.957 176.094 0.032 0.000 1.049 119 V CA 2.335 64.637 62.300 0.003 0.000 1.024 119 V CB -0.950 30.881 31.823 0.013 0.000 0.648 119 V HN 0.675 nan 8.190 nan 0.000 0.447 120 E N 0.114 120.362 120.200 0.080 0.000 2.085 120 E HA -0.271 4.079 4.350 0.000 0.000 0.194 120 E C 2.132 178.768 176.600 0.060 0.000 0.994 120 E CA 1.709 58.183 56.400 0.123 0.000 0.801 120 E CB -0.080 29.723 29.700 0.171 0.000 0.743 120 E HN 0.745 nan 8.360 nan 0.000 0.453 121 E N 0.025 120.242 120.200 0.028 0.000 2.106 121 E HA -0.188 4.162 4.350 0.000 0.000 0.192 121 E C 2.151 178.752 176.600 0.001 0.000 0.984 121 E CA 1.227 57.633 56.400 0.010 0.000 0.806 121 E CB -0.128 29.570 29.700 -0.003 0.000 0.750 121 E HN 0.361 nan 8.360 nan 0.000 0.458 122 M N 0.433 120.030 119.600 -0.004 0.000 2.213 122 M HA -0.091 4.389 4.480 0.000 0.000 0.263 122 M C 2.354 178.645 176.300 -0.015 0.000 1.062 122 M CA 1.477 56.769 55.300 -0.015 0.000 1.105 122 M CB -0.243 32.341 32.600 -0.027 0.000 1.385 122 M HN 0.224 nan 8.290 nan 0.000 0.417 123 G N -0.194 108.601 108.800 -0.007 0.000 2.422 123 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 123 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 123 G C 1.288 176.177 174.900 -0.018 0.000 1.140 123 G CA 0.624 45.714 45.100 -0.017 0.000 0.775 123 G HN 0.487 nan 8.290 nan 0.000 0.545 124 E N 0.273 120.471 120.200 -0.004 0.000 2.150 124 E HA -0.063 4.287 4.350 0.000 0.000 0.193 124 E C 2.448 179.033 176.600 -0.025 0.000 0.985 124 E CA 0.755 57.148 56.400 -0.012 0.000 0.814 124 E CB -0.015 29.685 29.700 0.000 0.000 0.752 124 E HN 0.379 nan 8.360 nan 0.000 0.466 125 K N 0.433 120.820 120.400 -0.021 0.000 2.057 125 K HA -0.134 4.186 4.320 0.000 0.000 0.206 125 K C 2.185 178.768 176.600 -0.029 0.000 1.050 125 K CA 0.716 56.989 56.287 -0.024 0.000 0.935 125 K CB -0.116 32.373 32.500 -0.019 0.000 0.715 125 K HN 0.039 nan 8.250 nan 0.000 0.439 126 L N 0.945 122.151 121.223 -0.030 0.000 2.017 126 L HA -0.139 4.201 4.340 0.000 0.000 0.208 126 L C 2.259 179.104 176.870 -0.042 0.000 1.073 126 L CA 1.772 56.593 54.840 -0.032 0.000 0.745 126 L CB -0.917 41.122 42.059 -0.034 0.000 0.894 126 L HN 0.005 nan 8.230 nan 0.000 0.432 127 S N -0.614 115.055 115.700 -0.052 0.000 2.374 127 S HA -0.244 4.226 4.470 0.000 0.000 0.227 127 S C 2.131 176.688 174.600 -0.072 0.000 1.037 127 S CA 1.361 59.518 58.200 -0.072 0.000 1.024 127 S CB -0.590 62.563 63.200 -0.078 0.000 0.861 127 S HN 0.726 nan 8.310 nan 0.000 0.456 128 A N 0.374 123.157 122.820 -0.060 0.000 1.978 128 A HA -0.102 4.218 4.320 0.000 0.000 0.220 128 A C 2.319 179.868 177.584 -0.058 0.000 1.170 128 A CA 2.249 54.249 52.037 -0.062 0.000 0.636 128 A CB -1.165 17.805 19.000 -0.050 0.000 0.810 128 A HN 0.755 nan 8.150 nan 0.000 0.448 129 T N -2.219 112.308 114.554 -0.045 0.000 3.067 129 T HA 0.319 4.669 4.350 0.000 0.000 0.257 129 T C 0.668 175.351 174.700 -0.028 0.000 1.105 129 T CA -0.190 61.889 62.100 -0.034 0.000 1.104 129 T CB -0.580 68.274 68.868 -0.022 0.000 0.925 129 T HN 0.250 nan 8.240 nan 0.000 0.498 130 L N 2.163 123.366 121.223 -0.034 0.000 2.483 130 L HA 0.226 4.566 4.340 0.000 0.000 0.276 130 L C 0.858 177.727 176.870 -0.002 0.000 1.213 130 L CA -0.540 54.293 54.840 -0.012 0.000 0.843 130 L CB -0.135 41.905 42.059 -0.031 0.000 1.107 130 L HN 0.335 nan 8.230 nan 0.000 0.487 131 H N 1.598 120.646 119.070 -0.036 0.000 3.001 131 H HA 0.027 4.583 4.556 0.000 0.000 0.334 131 H C 0.916 176.227 175.328 -0.029 0.000 1.034 131 H CA 0.609 56.640 56.048 -0.028 0.000 1.420 131 H CB 1.221 30.972 29.762 -0.018 0.000 1.405 131 H HN 0.717 nan 8.280 nan 0.000 0.593 132 A N 3.242 125.810 122.820 -0.420 0.000 2.076 132 A HA -0.183 4.137 4.320 0.000 0.000 0.220 132 A C 2.319 179.896 177.584 -0.012 0.000 1.160 132 A CA 1.520 53.436 52.037 -0.203 0.000 0.653 132 A CB -0.812 18.045 19.000 -0.238 0.000 0.801 132 A HN 0.799 nan 8.150 nan 0.000 0.455 133 S N -1.896 113.938 115.700 0.223 0.000 2.515 133 S HA 0.283 4.753 4.470 0.000 0.000 0.231 133 S C 1.627 176.346 174.600 0.200 0.000 0.987 133 S CA 1.192 59.557 58.200 0.275 0.000 0.936 133 S CB -0.496 62.925 63.200 0.369 0.000 0.766 133 S HN 1.887 nan 8.310 nan 0.000 0.528 134 G N 1.822 110.710 108.800 0.146 0.000 2.205 134 G HA2 -0.331 3.629 3.960 0.000 0.000 0.261 134 G HA3 -0.331 3.629 3.960 0.000 0.000 0.261 134 G C 0.980 175.934 174.900 0.090 0.000 0.980 134 G CA 0.326 45.478 45.100 0.086 0.000 0.632 134 G HN 0.519 nan 8.290 nan 0.000 0.533 135 R N 0.193 120.758 120.500 0.108 0.000 2.200 135 R HA -0.020 4.320 4.340 0.000 0.000 0.234 135 R C 0.785 177.098 176.300 0.023 0.000 1.127 135 R CA 1.362 57.491 56.100 0.048 0.000 0.989 135 R CB -0.094 30.202 30.300 -0.005 0.000 0.869 135 R HN 0.334 nan 8.270 nan 0.000 0.459 136 D N 0.239 120.660 120.400 0.035 0.000 2.388 136 D HA 0.024 4.664 4.640 0.000 0.000 0.221 136 D C -0.127 176.170 176.300 -0.006 0.000 1.133 136 D CA 0.028 54.034 54.000 0.011 0.000 0.831 136 D CB -0.014 40.800 40.800 0.023 0.000 0.962 136 D HN 0.063 nan 8.370 nan 0.000 0.502 137 D N 1.244 121.638 120.400 -0.009 0.000 2.362 137 D HA 0.192 4.832 4.640 0.000 0.000 0.238 137 D C 0.420 176.693 176.300 -0.044 0.000 1.212 137 D CA 0.199 54.173 54.000 -0.045 0.000 0.902 137 D CB 0.675 41.442 40.800 -0.056 0.000 1.180 137 D HN 0.021 nan 8.370 nan 0.000 0.445 138 M N -1.194 118.365 119.600 -0.069 0.000 2.755 138 M HA 0.419 4.899 4.480 0.000 0.000 0.273 138 M C -0.596 175.647 176.300 -0.095 0.000 1.278 138 M CA -1.011 54.250 55.300 -0.065 0.000 0.819 138 M CB 1.560 34.125 32.600 -0.059 0.000 1.694 138 M HN 0.253 nan 8.290 nan 0.000 0.460 139 S N 0.142 115.785 115.700 -0.095 0.000 2.614 139 S HA 0.434 4.904 4.470 0.000 0.000 0.265 139 S C 0.896 175.398 174.600 -0.164 0.000 1.303 139 S CA -0.789 57.334 58.200 -0.127 0.000 1.000 139 S CB 0.646 63.782 63.200 -0.107 0.000 0.935 139 S HN 0.757 nan 8.310 nan 0.000 0.551 140 I N 0.662 121.094 120.570 -0.230 0.000 2.286 140 I HA -0.146 4.024 4.170 0.000 0.000 0.248 140 I C 2.360 178.320 176.117 -0.262 0.000 1.115 140 I CA 0.959 62.074 61.300 -0.309 0.000 1.392 140 I CB -0.492 37.182 38.000 -0.543 0.000 1.065 140 I HN 0.621 nan 8.210 nan 0.000 0.418 141 L N 1.427 122.522 121.223 -0.214 0.000 2.012 141 L HA -0.203 4.137 4.340 0.000 0.000 0.210 141 L C 2.611 179.419 176.870 -0.103 0.000 1.073 141 L CA 2.230 56.982 54.840 -0.147 0.000 0.748 141 L CB -0.811 41.186 42.059 -0.103 0.000 0.891 141 L HN 0.195 nan 8.230 nan 0.000 0.431 142 A N -0.599 122.166 122.820 -0.092 0.000 1.883 142 A HA -0.271 4.049 4.320 0.000 0.000 0.217 142 A C 2.379 179.924 177.584 -0.064 0.000 1.186 142 A CA 2.233 54.232 52.037 -0.063 0.000 0.624 142 A CB -0.810 18.155 19.000 -0.058 0.000 0.822 142 A HN 0.591 nan 8.150 nan 0.000 0.444 143 M N -0.193 119.355 119.600 -0.087 0.000 2.108 143 M HA -0.220 4.260 4.480 0.000 0.000 0.261 143 M C 2.075 178.327 176.300 -0.079 0.000 1.066 143 M CA 2.112 57.364 55.300 -0.080 0.000 1.107 143 M CB -0.939 31.604 32.600 -0.096 0.000 1.356 143 M HN 0.603 nan 8.290 nan 0.000 0.406 144 Q N -0.458 119.287 119.800 -0.093 0.000 2.050 144 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 144 Q C 2.144 178.106 176.000 -0.063 0.000 0.980 144 Q CA 1.569 57.328 55.803 -0.073 0.000 0.840 144 Q CB -0.215 28.480 28.738 -0.073 0.000 0.898 144 Q HN 0.562 nan 8.270 nan 0.000 0.424 145 R N 0.264 120.736 120.500 -0.047 0.000 2.091 145 R HA -0.170 4.170 4.340 0.000 0.000 0.238 145 R C 2.354 178.645 176.300 -0.015 0.000 1.136 145 R CA 1.184 57.273 56.100 -0.019 0.000 0.959 145 R CB -0.514 29.784 30.300 -0.004 0.000 0.856 145 R HN 0.191 nan 8.270 nan 0.000 0.437 146 L N 1.676 122.885 121.223 -0.024 0.000 2.012 146 L HA -0.174 4.166 4.340 0.000 0.000 0.210 146 L C 1.405 178.170 176.870 -0.174 0.000 1.073 146 L CA 1.891 56.728 54.840 -0.005 0.000 0.748 146 L CB -0.571 41.481 42.059 -0.012 0.000 0.891 146 L HN 0.129 nan 8.230 nan 0.000 0.431 147 N N -0.383 118.200 118.700 -0.195 0.000 2.446 147 N HA -0.088 4.652 4.740 0.000 0.000 0.179 147 N C 1.441 176.719 175.510 -0.388 0.000 1.054 147 N CA 1.002 53.873 53.050 -0.298 0.000 0.905 147 N CB 0.047 38.445 38.487 -0.149 0.000 0.973 147 N HN 0.598 nan 8.380 nan 0.000 0.448 148 E N -0.384 119.660 120.200 -0.259 0.000 2.452 148 E HA 0.043 4.393 4.350 0.000 0.000 0.197 148 E C -0.543 175.976 176.600 -0.135 0.000 1.022 148 E CA -0.041 56.255 56.400 -0.174 0.000 0.890 148 E CB 0.211 29.874 29.700 -0.062 0.000 0.918 148 E HN 0.226 nan 8.360 nan 0.000 0.496 149 H N 0.832 119.901 119.070 -0.002 0.000 2.827 149 H HA -0.122 4.434 4.556 0.000 0.000 0.330 149 H C -0.570 174.758 175.328 0.000 0.000 1.236 149 H CA 0.638 56.685 56.048 -0.002 0.000 1.165 149 H CB -1.740 28.022 29.762 -0.000 0.000 1.532 149 H HN 0.210 nan 8.280 nan 0.000 0.434 150 Q N -0.032 119.829 119.800 0.102 0.000 2.501 150 Q HA 0.319 4.659 4.340 0.000 0.000 0.288 150 Q C -2.013 174.013 176.000 0.044 0.000 1.051 150 Q CA -1.600 54.240 55.803 0.061 0.000 0.788 150 Q CB 2.474 31.234 28.738 0.037 0.000 1.469 150 Q HN 0.081 nan 8.270 nan 0.000 0.416 151 P HA 0.055 nan 4.420 nan 0.000 0.256 151 P C -0.866 176.442 177.300 0.013 0.000 1.384 151 P CA 0.416 63.528 63.100 0.020 0.000 0.879 151 P CB 0.155 31.865 31.700 0.017 0.000 1.403 152 N N -2.543 116.166 118.700 0.014 0.000 2.823 152 N HA 0.499 5.239 4.740 0.000 0.000 0.251 152 N C -0.151 175.362 175.510 0.005 0.000 1.392 152 N CA -0.933 52.121 53.050 0.008 0.000 0.864 152 N CB 0.302 38.797 38.487 0.013 0.000 1.481 152 N HN -0.181 nan 8.380 nan 0.000 0.508 153 G N -0.996 107.805 108.800 0.001 0.000 2.543 153 G HA2 0.515 4.475 3.960 0.000 0.000 0.267 153 G HA3 0.515 4.475 3.960 0.000 0.000 0.267 153 G C -2.473 172.439 174.900 0.020 0.000 1.406 153 G CA -1.731 43.370 45.100 0.001 0.000 1.048 153 G HN 0.500 nan 8.290 nan 0.000 0.548 154 P HA 0.176 nan 4.420 nan 0.000 0.261 154 P C 0.002 177.327 177.300 0.041 0.000 1.173 154 P CA 1.042 64.168 63.100 0.042 0.000 0.760 154 P CB 1.112 32.853 31.700 0.069 0.000 0.783 155 A N 2.060 124.901 122.820 0.034 0.000 2.653 155 A HA 0.215 4.535 4.320 0.000 0.000 0.248 155 A C 0.679 178.283 177.584 0.032 0.000 1.211 155 A CA 0.217 52.274 52.037 0.033 0.000 0.991 155 A CB -0.189 18.827 19.000 0.028 0.000 1.252 155 A HN 0.488 nan 8.150 nan 0.000 0.593 156 T N -3.170 111.404 114.554 0.033 0.000 2.918 156 T HA 0.491 4.841 4.350 0.000 0.000 0.283 156 T C -1.864 172.850 174.700 0.022 0.000 1.001 156 T CA -1.536 60.585 62.100 0.036 0.000 1.041 156 T CB 1.543 70.441 68.868 0.050 0.000 1.028 156 T HN -0.137 nan 8.240 nan 0.000 0.511 157 P HA -0.176 nan 4.420 nan 0.000 0.215 157 P C 1.848 179.127 177.300 -0.035 0.000 1.163 157 P CA 0.999 64.103 63.100 0.007 0.000 0.894 157 P CB -0.156 31.573 31.700 0.048 0.000 0.791 158 V N -0.053 119.801 119.914 -0.099 0.000 2.307 158 V HA -0.224 3.896 4.120 0.000 0.000 0.245 158 V C 1.668 177.688 176.094 -0.123 0.000 1.045 158 V CA 2.392 64.561 62.300 -0.219 0.000 1.024 158 V CB -1.239 30.241 31.823 -0.573 0.000 0.651 158 V HN -0.017 nan 8.190 nan 0.000 0.449 159 D N -0.280 120.076 120.400 -0.073 0.000 2.178 159 D HA -0.126 4.514 4.640 0.000 0.000 0.202 159 D C 2.198 178.515 176.300 0.029 0.000 0.974 159 D CA 1.817 55.798 54.000 -0.031 0.000 0.841 159 D CB -0.231 40.566 40.800 -0.006 0.000 0.953 159 D HN 0.478 nan 8.370 nan 0.000 0.478 160 M N -0.049 119.572 119.600 0.036 0.000 2.132 160 M HA -0.100 4.380 4.480 0.000 0.000 0.263 160 M C 2.355 178.729 176.300 0.123 0.000 1.065 160 M CA 0.768 56.119 55.300 0.084 0.000 1.122 160 M CB -0.106 32.532 32.600 0.064 0.000 1.365 160 M HN -0.100 nan 8.290 nan 0.000 0.411 161 V N -0.060 119.897 119.914 0.072 0.000 2.667 161 V HA -0.134 3.986 4.120 0.000 0.000 0.252 161 V C 2.098 178.295 176.094 0.172 0.000 1.065 161 V CA 1.147 63.513 62.300 0.110 0.000 1.083 161 V CB 0.048 31.905 31.823 0.056 0.000 0.692 161 V HN 0.237 nan 8.190 nan 0.000 0.468 162 V N 0.475 120.449 119.914 0.100 0.000 2.343 162 V HA -0.231 3.889 4.120 0.000 0.000 0.247 162 V C 2.341 178.544 176.094 0.181 0.000 1.051 162 V CA 2.503 64.872 62.300 0.116 0.000 1.036 162 V CB -0.683 31.150 31.823 0.016 0.000 0.654 162 V HN 0.694 nan 8.190 nan 0.000 0.451 163 D N -1.070 119.443 120.400 0.188 0.000 2.097 163 D HA -0.245 4.395 4.640 0.000 0.000 0.195 163 D C 2.010 178.493 176.300 0.304 0.000 0.989 163 D CA 1.509 55.674 54.000 0.275 0.000 0.827 163 D CB -0.230 40.722 40.800 0.254 0.000 0.966 163 D HN 0.527 nan 8.370 nan 0.000 0.456 164 Y N -0.590 119.803 120.300 0.155 0.000 2.181 164 Y HA -0.265 4.285 4.550 0.000 0.000 0.288 164 Y C 2.106 178.057 175.900 0.085 0.000 1.146 164 Y CA 1.883 60.066 58.100 0.138 0.000 1.164 164 Y CB -0.523 37.999 38.460 0.104 0.000 0.982 164 Y HN 0.120 nan 8.280 nan 0.000 0.515 165 Y N 0.989 121.393 120.300 0.173 0.000 2.181 165 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 165 Y C 2.093 177.922 175.900 -0.117 0.000 1.146 165 Y CA 2.062 60.158 58.100 -0.006 0.000 1.164 165 Y CB -0.443 37.966 38.460 -0.085 0.000 0.982 165 Y HN 0.002 nan 8.280 nan 0.000 0.515 166 K N -1.197 118.926 120.400 -0.462 0.000 2.155 166 K HA -0.065 4.255 4.320 0.000 0.000 0.203 166 K C 1.383 177.403 176.600 -0.966 0.000 1.052 166 K CA 1.722 57.484 56.287 -0.874 0.000 0.948 166 K CB -0.141 31.813 32.500 -0.909 0.000 0.728 166 K HN 0.341 nan 8.250 nan 0.000 0.448 167 F N 0.006 119.854 119.950 -0.170 0.000 2.522 167 F HA 0.067 4.594 4.527 0.000 0.000 0.275 167 F C 1.627 177.357 175.800 -0.116 0.000 0.890 167 F CA -0.228 57.742 58.000 -0.051 0.000 1.157 167 F CB -0.158 38.889 39.000 0.077 0.000 1.117 167 F HN -0.173 nan 8.300 nan 0.000 0.787 168 D N -0.081 120.287 120.400 -0.054 0.000 2.149 168 D HA -0.247 4.393 4.640 0.000 0.000 0.198 168 D C 1.715 177.864 176.300 -0.251 0.000 0.990 168 D CA 1.348 55.160 54.000 -0.312 0.000 0.839 168 D CB -0.592 39.581 40.800 -1.046 0.000 0.948 168 D HN 0.236 nan 8.370 nan 0.000 0.460 169 Y N 0.907 120.943 120.300 -0.441 0.000 2.403 169 Y HA -0.132 4.418 4.550 0.000 0.000 0.291 169 Y C 2.043 177.838 175.900 -0.174 0.000 1.143 169 Y CA 1.175 59.151 58.100 -0.205 0.000 1.257 169 Y CB 0.072 38.385 38.460 -0.245 0.000 0.984 169 Y HN -0.100 nan 8.280 nan 0.000 0.550 170 E N -1.118 118.826 120.200 -0.426 0.000 2.162 170 E HA 0.016 4.366 4.350 0.000 0.000 0.193 170 E C 1.303 177.507 176.600 -0.660 0.000 0.953 170 E CA 1.186 57.142 56.400 -0.740 0.000 0.849 170 E CB -0.469 28.549 29.700 -1.136 0.000 0.810 170 E HN 0.379 nan 8.360 nan 0.000 0.470 171 F N -0.452 119.546 119.950 0.079 0.000 2.717 171 F HA 0.453 4.980 4.527 0.000 0.000 0.295 171 F C 1.348 177.304 175.800 0.260 0.000 1.117 171 F CA 0.260 58.365 58.000 0.175 0.000 1.361 171 F CB 0.528 39.604 39.000 0.126 0.000 1.112 171 F HN 0.097 nan 8.300 nan 0.000 0.594 172 A N 0.160 123.156 122.820 0.294 0.000 3.021 172 A HA -0.238 4.082 4.320 0.000 0.000 0.257 172 A C 0.259 177.883 177.584 0.067 0.000 1.277 172 A CA 1.269 53.415 52.037 0.181 0.000 1.012 172 A CB -2.171 16.886 19.000 0.095 0.000 1.147 172 A HN 0.476 nan 8.150 nan 0.000 0.861 173 E N -1.369 118.887 120.200 0.093 0.000 2.413 173 E HA 0.526 4.876 4.350 0.000 0.000 0.277 173 E C -3.088 173.536 176.600 0.041 0.000 0.958 173 E CA -2.387 54.035 56.400 0.035 0.000 0.779 173 E CB 2.030 31.741 29.700 0.017 0.000 1.278 173 E HN 0.155 nan 8.360 nan 0.000 0.456 174 P HA 0.102 nan 4.420 nan 0.000 0.274 174 P C -2.169 175.113 177.300 -0.030 0.000 1.237 174 P CA -1.191 61.917 63.100 0.014 0.000 0.793 174 P CB 0.243 31.956 31.700 0.021 0.000 0.977 175 P HA -0.188 nan 4.420 nan 0.000 0.216 175 P C 1.279 178.472 177.300 -0.179 0.000 1.150 175 P CA 1.758 64.715 63.100 -0.239 0.000 0.843 175 P CB -0.214 31.265 31.700 -0.368 0.000 0.787 176 R N -0.969 119.464 120.500 -0.111 0.000 2.285 176 R HA -0.005 4.335 4.340 0.000 0.000 0.213 176 R C 1.186 177.439 176.300 -0.079 0.000 1.068 176 R CA 1.106 57.152 56.100 -0.089 0.000 1.004 176 R CB -0.999 29.268 30.300 -0.055 0.000 0.873 176 R HN 0.096 nan 8.270 nan 0.000 0.467 177 V N 0.533 120.400 119.914 -0.079 0.000 3.661 177 V HA 0.053 4.173 4.120 0.000 0.000 0.271 177 V C 0.347 176.384 176.094 -0.096 0.000 1.315 177 V CA 0.577 62.834 62.300 -0.072 0.000 1.072 177 V CB 0.879 32.667 31.823 -0.057 0.000 0.830 177 V HN 0.274 nan 8.190 nan 0.000 0.443 178 T N 1.170 115.647 114.554 -0.128 0.000 2.856 178 T HA 0.185 4.535 4.350 0.000 0.000 0.292 178 T C 0.338 174.918 174.700 -0.201 0.000 0.980 178 T CA 0.265 62.258 62.100 -0.178 0.000 1.091 178 T CB 1.279 70.009 68.868 -0.231 0.000 0.936 178 T HN 0.295 nan 8.240 nan 0.000 0.503 179 S N 2.880 118.467 115.700 -0.188 0.000 2.515 179 S HA 0.033 4.503 4.470 0.000 0.000 0.285 179 S C 1.324 175.745 174.600 -0.298 0.000 1.265 179 S CA -0.774 57.292 58.200 -0.224 0.000 1.079 179 S CB -0.146 62.866 63.200 -0.313 0.000 0.877 179 S HN 0.629 nan 8.310 nan 0.000 0.493 180 L N 5.668 126.746 121.223 -0.241 0.000 1.994 180 L HA -0.077 4.263 4.340 0.000 0.000 0.208 180 L C 2.585 179.311 176.870 -0.240 0.000 1.071 180 L CA 2.175 56.882 54.840 -0.222 0.000 0.745 180 L CB -0.886 41.074 42.059 -0.165 0.000 0.892 180 L HN 0.930 nan 8.230 nan 0.000 0.431 181 Q N -0.649 118.995 119.800 -0.260 0.000 2.135 181 Q HA -0.215 4.126 4.340 0.000 0.000 0.204 181 Q C 1.412 177.180 176.000 -0.387 0.000 0.981 181 Q CA 1.847 57.484 55.803 -0.276 0.000 0.856 181 Q CB -0.051 28.527 28.738 -0.267 0.000 0.902 181 Q HN 0.637 nan 8.270 nan 0.000 0.425 182 N N -0.888 117.467 118.700 -0.574 0.000 2.336 182 N HA -0.019 4.721 4.740 0.000 0.000 0.189 182 N C 0.640 175.915 175.510 -0.392 0.000 1.113 182 N CA 1.222 53.859 53.050 -0.688 0.000 0.858 182 N CB 0.893 38.521 38.487 -1.432 0.000 0.970 182 N HN 0.369 nan 8.380 nan 0.000 0.471 183 T N -4.222 110.143 114.554 -0.316 0.000 3.080 183 T HA 0.228 4.578 4.350 0.000 0.000 0.280 183 T C 0.123 174.812 174.700 -0.018 0.000 0.926 183 T CA -0.111 61.851 62.100 -0.230 0.000 0.883 183 T CB 0.394 68.854 68.868 -0.679 0.000 1.194 183 T HN -0.227 nan 8.240 nan 0.000 0.541 184 V N 4.649 124.532 119.914 -0.052 0.000 2.419 184 V HA 0.515 4.635 4.120 0.000 0.000 0.287 184 V C -2.547 173.542 176.094 -0.009 0.000 1.017 184 V CA -2.072 60.257 62.300 0.048 0.000 0.844 184 V CB 2.199 34.055 31.823 0.055 0.000 1.011 184 V HN 0.215 nan 8.190 nan 0.000 0.429 185 P HA 0.280 nan 4.420 nan 0.000 0.276 185 P C -0.876 176.460 177.300 0.061 0.000 1.261 185 P CA -0.549 62.585 63.100 0.057 0.000 0.800 185 P CB 1.727 33.443 31.700 0.026 0.000 1.066 186 L N 1.214 122.525 121.223 0.147 0.000 2.264 186 L HA 0.430 4.770 4.340 0.000 0.000 0.289 186 L C 1.558 178.442 176.870 0.022 0.000 1.044 186 L CA -0.318 54.599 54.840 0.129 0.000 0.807 186 L CB 0.473 42.696 42.059 0.273 0.000 1.192 186 L HN 0.531 nan 8.230 nan 0.000 0.425 187 A N 3.236 126.036 122.820 -0.033 0.000 1.948 187 A HA -0.183 4.137 4.320 0.000 0.000 0.220 187 A C 1.954 179.507 177.584 -0.051 0.000 1.177 187 A CA 2.410 54.394 52.037 -0.088 0.000 0.636 187 A CB -0.884 17.987 19.000 -0.216 0.000 0.815 187 A HN 0.864 nan 8.150 nan 0.000 0.449 188 T N -0.546 113.988 114.554 -0.032 0.000 2.665 188 T HA -0.185 4.165 4.350 0.000 0.000 0.268 188 T C 1.518 176.009 174.700 -0.348 0.000 1.035 188 T CA 1.968 63.942 62.100 -0.209 0.000 1.151 188 T CB -0.482 67.964 68.868 -0.703 0.000 0.862 188 T HN 0.547 nan 8.240 nan 0.000 0.438 189 F N 0.976 120.896 119.950 -0.051 0.000 2.187 189 F HA -0.017 4.510 4.527 0.000 0.000 0.295 189 F C 2.952 178.712 175.800 -0.067 0.000 1.091 189 F CA 0.424 58.388 58.000 -0.060 0.000 1.308 189 F CB -0.376 38.586 39.000 -0.063 0.000 1.030 189 F HN 0.045 nan 8.300 nan 0.000 0.487 190 S N 0.096 115.838 115.700 0.070 0.000 2.356 190 S HA -0.186 4.284 4.470 0.000 0.000 0.223 190 S C 1.459 176.013 174.600 -0.075 0.000 1.032 190 S CA 1.692 59.890 58.200 -0.003 0.000 1.005 190 S CB -0.337 62.837 63.200 -0.043 0.000 0.867 190 S HN 0.330 nan 8.310 nan 0.000 0.449 191 D N 0.440 120.717 120.400 -0.206 0.000 2.120 191 D HA 0.069 4.709 4.640 0.000 0.000 0.202 191 D C 1.390 177.554 176.300 -0.227 0.000 0.972 191 D CA 0.923 54.720 54.000 -0.338 0.000 0.837 191 D CB -0.291 40.066 40.800 -0.737 0.000 0.989 191 D HN 0.465 nan 8.370 nan 0.000 0.469 192 F N 0.153 120.071 119.950 -0.054 0.000 2.749 192 F HA 0.361 4.888 4.527 0.000 0.000 0.300 192 F C 1.272 177.037 175.800 -0.059 0.000 1.103 192 F CA 0.065 58.000 58.000 -0.108 0.000 1.342 192 F CB 0.850 39.690 39.000 -0.268 0.000 1.098 192 F HN -0.042 nan 8.300 nan 0.000 0.586 193 G N 0.659 109.555 108.800 0.160 0.000 2.525 193 G HA2 -0.162 3.798 3.960 0.000 0.000 0.685 193 G HA3 -0.162 3.798 3.960 0.000 0.000 0.685 193 G C -0.602 174.425 174.900 0.211 0.000 1.285 193 G CA -0.760 44.418 45.100 0.131 0.000 0.849 193 G HN 0.001 nan 8.290 nan 0.000 0.653 194 D N 0.051 120.505 120.400 0.089 0.000 2.317 194 D HA 0.057 4.697 4.640 0.000 0.000 0.211 194 D C 0.709 176.961 176.300 -0.080 0.000 0.966 194 D CA 0.796 54.759 54.000 -0.062 0.000 0.876 194 D CB 0.147 40.873 40.800 -0.124 0.000 0.927 194 D HN 0.447 nan 8.370 nan 0.000 0.519 195 D N 0.252 120.673 120.400 0.035 0.000 2.344 195 D HA 0.210 4.850 4.640 0.000 0.000 0.244 195 D C 0.436 176.811 176.300 0.125 0.000 1.134 195 D CA -0.222 53.801 54.000 0.038 0.000 0.930 195 D CB 2.048 42.903 40.800 0.091 0.000 1.175 195 D HN -0.114 nan 8.370 nan 0.000 0.437 196 V N -0.875 119.096 119.914 0.094 0.000 2.841 196 V HA 0.605 4.725 4.120 0.000 0.000 0.310 196 V C -1.661 174.566 176.094 0.221 0.000 1.090 196 V CA -0.804 61.662 62.300 0.276 0.000 0.930 196 V CB 1.575 33.536 31.823 0.231 0.000 1.014 196 V HN 0.361 nan 8.190 nan 0.000 0.425 197 Y N 3.658 124.187 120.300 0.382 0.000 2.338 197 Y HA 0.586 5.136 4.550 0.000 0.000 0.333 197 Y C -0.432 175.699 175.900 0.384 0.000 0.968 197 Y CA -0.974 57.337 58.100 0.353 0.000 1.123 197 Y CB 2.087 40.638 38.460 0.152 0.000 1.165 197 Y HN 0.847 nan 8.280 nan 0.000 0.452 198 F N 4.191 124.245 119.950 0.173 0.000 2.445 198 F HA 0.488 5.015 4.527 0.000 0.000 0.359 198 F C -0.353 175.406 175.800 -0.070 0.000 1.101 198 F CA -0.622 57.179 58.000 -0.331 0.000 1.177 198 F CB 0.442 39.253 39.000 -0.315 0.000 1.110 198 F HN 0.182 nan 8.300 nan 0.000 0.522 199 V N 6.534 126.277 119.914 -0.286 0.000 2.455 199 V HA 0.436 4.556 4.120 0.000 0.000 0.273 199 V C 0.296 176.418 176.094 0.047 0.000 1.045 199 V CA -0.155 62.063 62.300 -0.137 0.000 0.976 199 V CB 0.681 32.244 31.823 -0.433 0.000 0.993 199 V HN 0.887 nan 8.190 nan 0.000 0.475 200 A N 4.356 127.331 122.820 0.259 0.000 3.030 200 A HA 0.545 4.865 4.320 0.000 0.000 0.335 200 A C -0.514 177.202 177.584 0.219 0.000 1.089 200 A CA -0.430 51.803 52.037 0.327 0.000 0.807 200 A CB 0.155 19.336 19.000 0.302 0.000 1.099 200 A HN 0.729 nan 8.150 nan 0.000 0.474 201 D N 0.762 121.252 120.400 0.150 0.000 2.787 201 D HA 0.179 4.819 4.640 0.000 0.000 0.246 201 D C 0.396 176.746 176.300 0.083 0.000 1.150 201 D CA -0.347 53.711 54.000 0.096 0.000 0.864 201 D CB 1.597 42.419 40.800 0.037 0.000 1.481 201 D HN 0.227 nan 8.370 nan 0.000 0.509 202 Q N 2.107 121.947 119.800 0.068 0.000 2.248 202 Q HA -0.145 4.195 4.340 0.000 0.000 0.208 202 Q C 1.467 177.471 176.000 0.006 0.000 0.984 202 Q CA 1.244 57.067 55.803 0.033 0.000 0.875 202 Q CB 0.077 28.827 28.738 0.019 0.000 0.910 202 Q HN 0.507 nan 8.270 nan 0.000 0.433 203 R N -0.547 119.959 120.500 0.010 0.000 2.236 203 R HA 0.112 4.452 4.340 0.000 0.000 0.208 203 R C 0.802 177.116 176.300 0.023 0.000 1.036 203 R CA 0.570 56.668 56.100 -0.005 0.000 1.001 203 R CB 0.036 30.333 30.300 -0.005 0.000 0.896 203 R HN 0.254 nan 8.270 nan 0.000 0.464 204 G N -0.038 108.794 108.800 0.055 0.000 2.716 204 G HA2 -0.327 3.633 3.960 0.000 0.000 0.686 204 G HA3 -0.327 3.633 3.960 0.000 0.000 0.686 204 G C -0.010 175.005 174.900 0.191 0.000 1.337 204 G CA -0.231 44.931 45.100 0.104 0.000 0.829 204 G HN 0.360 nan 8.290 nan 0.000 0.599 205 Y N 0.651 120.991 120.300 0.066 0.000 2.256 205 Y HA -0.221 4.329 4.550 0.000 0.000 0.288 205 Y C 2.852 178.830 175.900 0.131 0.000 1.155 205 Y CA 1.999 60.148 58.100 0.082 0.000 1.203 205 Y CB 0.175 38.680 38.460 0.076 0.000 0.980 205 Y HN 0.833 nan 8.280 nan 0.000 0.530 206 E N 0.141 120.526 120.200 0.308 0.000 2.331 206 E HA -0.221 4.129 4.350 0.000 0.000 0.199 206 E C 2.026 178.860 176.600 0.390 0.000 1.008 206 E CA 0.798 57.376 56.400 0.297 0.000 0.843 206 E CB -0.379 29.547 29.700 0.377 0.000 0.761 206 E HN 0.482 nan 8.360 nan 0.000 0.507 207 A N 1.640 124.657 122.820 0.329 0.000 2.032 207 A HA -0.139 4.181 4.320 0.000 0.000 0.221 207 A C 2.459 180.232 177.584 0.314 0.000 1.165 207 A CA 1.478 53.696 52.037 0.303 0.000 0.645 207 A CB -0.728 18.365 19.000 0.155 0.000 0.807 207 A HN 0.217 nan 8.150 nan 0.000 0.453 208 V N -0.519 119.559 119.914 0.274 0.000 2.343 208 V HA -0.242 3.878 4.120 0.000 0.000 0.247 208 V C 2.545 178.800 176.094 0.269 0.000 1.051 208 V CA 2.073 64.521 62.300 0.247 0.000 1.036 208 V CB -0.718 31.237 31.823 0.221 0.000 0.654 208 V HN 0.413 nan 8.190 nan 0.000 0.451 209 V N -1.461 118.580 119.914 0.211 0.000 2.379 209 V HA -0.234 3.886 4.120 0.000 0.000 0.245 209 V C 2.170 178.305 176.094 0.069 0.000 1.044 209 V CA 1.825 64.195 62.300 0.116 0.000 1.036 209 V CB -0.819 31.021 31.823 0.029 0.000 0.664 209 V HN 0.494 nan 8.190 nan 0.000 0.453 210 Y N -0.879 119.506 120.300 0.140 0.000 2.207 210 Y HA -0.283 4.267 4.550 0.000 0.000 0.287 210 Y C 2.449 178.417 175.900 0.113 0.000 1.156 210 Y CA 2.283 60.445 58.100 0.103 0.000 1.182 210 Y CB -0.600 37.922 38.460 0.102 0.000 0.979 210 Y HN 0.348 nan 8.280 nan 0.000 0.521 211 Y N 0.202 120.618 120.300 0.194 0.000 2.145 211 Y HA -0.247 4.303 4.550 0.000 0.000 0.286 211 Y C 1.975 177.942 175.900 0.112 0.000 1.145 211 Y CA 1.519 59.694 58.100 0.124 0.000 1.148 211 Y CB -0.714 37.801 38.460 0.092 0.000 0.981 211 Y HN 0.027 nan 8.280 nan 0.000 0.507 212 L N -0.046 121.171 121.223 -0.011 0.000 2.046 212 L HA -0.216 4.124 4.340 0.000 0.000 0.208 212 L C 2.830 179.712 176.870 0.020 0.000 1.077 212 L CA 1.194 55.990 54.840 -0.073 0.000 0.747 212 L CB -1.103 41.067 42.059 0.184 0.000 0.896 212 L HN 0.354 nan 8.230 nan 0.000 0.432 213 A N 0.489 123.297 122.820 -0.020 0.000 1.908 213 A HA -0.169 4.151 4.320 0.000 0.000 0.218 213 A C 2.384 179.716 177.584 -0.420 0.000 1.181 213 A CA 1.847 53.732 52.037 -0.252 0.000 0.627 213 A CB -1.345 17.524 19.000 -0.219 0.000 0.818 213 A HN 0.453 nan 8.150 nan 0.000 0.445 214 G N -1.404 107.272 108.800 -0.208 0.000 2.498 214 G HA2 -0.143 3.817 3.960 0.000 0.000 0.219 214 G HA3 -0.143 3.817 3.960 0.000 0.000 0.219 214 G C 1.351 176.146 174.900 -0.175 0.000 1.119 214 G CA 0.739 45.739 45.100 -0.167 0.000 0.766 214 G HN 0.495 nan 8.290 nan 0.000 0.552 215 Q N -0.556 119.139 119.800 -0.175 0.000 2.436 215 Q HA -0.020 4.320 4.340 0.000 0.000 0.209 215 Q C 1.273 177.340 176.000 0.111 0.000 0.965 215 Q CA 0.875 56.638 55.803 -0.066 0.000 0.910 215 Q CB -0.050 28.639 28.738 -0.082 0.000 0.980 215 Q HN 0.988 nan 8.270 nan 0.000 0.491 216 Y N -4.535 115.710 120.300 -0.091 0.000 2.710 216 Y HA 0.383 4.933 4.550 0.000 0.000 0.278 216 Y C -0.110 175.761 175.900 -0.048 0.000 1.014 216 Y CA -0.714 57.349 58.100 -0.062 0.000 1.227 216 Y CB 0.423 38.846 38.460 -0.060 0.000 1.408 216 Y HN -0.180 nan 8.280 nan 0.000 0.580 217 L N 2.729 123.640 121.223 -0.521 0.000 2.331 217 L HA 0.452 4.792 4.340 0.000 0.000 0.275 217 L C -0.132 176.627 176.870 -0.185 0.000 1.022 217 L CA -1.465 53.153 54.840 -0.370 0.000 0.812 217 L CB 1.729 43.491 42.059 -0.494 0.000 1.257 217 L HN 0.064 nan 8.230 nan 0.000 0.435 218 K N 1.128 121.463 120.400 -0.109 0.000 2.401 218 K HA 0.371 4.692 4.320 0.000 0.000 0.278 218 K C -0.290 176.279 176.600 -0.052 0.000 1.018 218 K CA -0.015 56.235 56.287 -0.062 0.000 0.981 218 K CB 0.298 32.775 32.500 -0.038 0.000 0.933 218 K HN 0.760 nan 8.250 nan 0.000 0.477 219 T N -1.063 113.472 114.554 -0.031 0.000 2.906 219 T HA 0.149 4.499 4.350 0.000 0.000 0.295 219 T C -0.677 174.020 174.700 -0.004 0.000 1.061 219 T CA -1.140 60.952 62.100 -0.013 0.000 1.000 219 T CB 1.736 70.602 68.868 -0.004 0.000 1.103 219 T HN 0.439 nan 8.240 nan 0.000 0.486 220 D N 0.726 121.127 120.400 0.001 0.000 2.425 220 D HA 0.171 4.811 4.640 0.000 0.000 0.247 220 D C 0.634 176.936 176.300 0.003 0.000 1.147 220 D CA -0.153 53.848 54.000 0.002 0.000 0.879 220 D CB 0.735 41.537 40.800 0.004 0.000 1.179 220 D HN 0.448 nan 8.370 nan 0.000 0.456 221 D N 2.951 123.352 120.400 0.002 0.000 2.182 221 D HA -0.164 4.476 4.640 0.000 0.000 0.201 221 D C 1.405 177.707 176.300 0.003 0.000 0.986 221 D CA 1.076 55.078 54.000 0.003 0.000 0.847 221 D CB 0.125 40.927 40.800 0.003 0.000 0.942 221 D HN 0.484 nan 8.370 nan 0.000 0.467 222 K N 0.096 120.497 120.400 0.002 0.000 2.244 222 K HA 0.008 4.328 4.320 0.000 0.000 0.200 222 K C 2.060 178.659 176.600 -0.001 0.000 1.052 222 K CA 0.681 56.968 56.287 0.000 0.000 0.980 222 K CB 0.321 32.821 32.500 -0.001 0.000 0.838 222 K HN 0.098 nan 8.250 nan 0.000 0.481 223 S N -0.875 114.825 115.700 -0.001 0.000 2.406 223 S HA 0.111 4.582 4.470 0.000 0.000 0.224 223 S C 1.602 176.200 174.600 -0.003 0.000 1.030 223 S CA 0.671 58.869 58.200 -0.003 0.000 0.958 223 S CB 0.033 63.233 63.200 -0.000 0.000 0.811 223 S HN 0.507 nan 8.310 nan 0.000 0.489 224 G N 1.444 110.246 108.800 0.004 0.000 2.184 224 G HA2 -0.289 3.671 3.960 0.000 0.000 0.264 224 G HA3 -0.289 3.671 3.960 0.000 0.000 0.264 224 G C 0.020 174.932 174.900 0.020 0.000 0.975 224 G CA 0.378 45.484 45.100 0.011 0.000 0.642 224 G HN 0.601 nan 8.290 nan 0.000 0.536 225 K N 0.046 120.456 120.400 0.017 0.000 2.414 225 K HA 0.399 4.719 4.320 0.000 0.000 0.272 225 K C 0.858 177.481 176.600 0.038 0.000 0.993 225 K CA -0.188 56.120 56.287 0.036 0.000 0.964 225 K CB 0.754 33.271 32.500 0.028 0.000 0.925 225 K HN 0.310 nan 8.250 nan 0.000 0.487 226 I N 2.551 123.158 120.570 0.061 0.000 2.529 226 I HA -0.065 4.105 4.170 0.000 0.000 0.284 226 I C 1.046 177.166 176.117 0.005 0.000 1.082 226 I CA 0.012 61.322 61.300 0.018 0.000 1.406 226 I CB 0.930 38.934 38.000 0.007 0.000 1.405 226 I HN 0.454 nan 8.210 nan 0.000 0.548 227 V N 0.313 120.219 119.914 -0.015 0.000 3.337 227 V HA 0.234 4.354 4.120 0.000 0.000 0.307 227 V C 0.298 176.377 176.094 -0.024 0.000 1.505 227 V CA -0.460 61.834 62.300 -0.012 0.000 1.072 227 V CB 0.156 31.976 31.823 -0.006 0.000 0.929 227 V HN 0.686 nan 8.190 nan 0.000 0.455 228 D N 3.901 124.275 120.400 -0.042 0.000 2.450 228 D HA 0.166 4.806 4.640 0.000 0.000 0.247 228 D C -1.059 175.215 176.300 -0.044 0.000 1.162 228 D CA -1.329 52.642 54.000 -0.049 0.000 0.879 228 D CB 2.166 42.917 40.800 -0.081 0.000 1.163 228 D HN 0.234 nan 8.370 nan 0.000 0.472 229 P HA -0.078 nan 4.420 nan 0.000 0.228 229 P C 0.871 178.145 177.300 -0.043 0.000 1.151 229 P CA 0.571 63.654 63.100 -0.027 0.000 0.770 229 P CB 0.282 31.974 31.700 -0.013 0.000 0.786 230 R N -0.953 119.518 120.500 -0.048 0.000 2.280 230 R HA 0.057 4.397 4.340 0.000 0.000 0.207 230 R C 0.708 176.959 176.300 -0.082 0.000 1.043 230 R CA 0.078 56.143 56.100 -0.059 0.000 1.006 230 R CB -0.335 29.944 30.300 -0.035 0.000 0.885 230 R HN 0.186 nan 8.270 nan 0.000 0.467 231 L N 1.390 122.563 121.223 -0.083 0.000 2.272 231 L HA 0.231 4.571 4.340 0.000 0.000 0.289 231 L C -1.085 175.733 176.870 -0.086 0.000 1.032 231 L CA -0.166 54.618 54.840 -0.093 0.000 0.810 231 L CB 1.590 43.592 42.059 -0.096 0.000 1.205 231 L HN -0.117 nan 8.230 nan 0.000 0.422 232 Q N 6.203 125.939 119.800 -0.106 0.000 2.320 232 Q HA 0.447 4.787 4.340 0.000 0.000 0.268 232 Q C -0.916 175.030 176.000 -0.090 0.000 1.023 232 Q CA -0.365 55.386 55.803 -0.087 0.000 0.744 232 Q CB 2.209 30.881 28.738 -0.110 0.000 1.246 232 Q HN 0.714 nan 8.270 nan 0.000 0.462 233 L N 1.611 122.794 121.223 -0.067 0.000 2.454 233 L HA 0.333 4.673 4.340 0.000 0.000 0.256 233 L C 0.765 177.590 176.870 -0.075 0.000 1.136 233 L CA -0.622 54.169 54.840 -0.082 0.000 0.804 233 L CB 0.367 42.399 42.059 -0.045 0.000 1.181 233 L HN 0.670 nan 8.230 nan 0.000 0.469 234 N N 0.297 118.933 118.700 -0.107 0.000 2.735 234 N HA -0.155 4.585 4.740 0.000 0.000 0.248 234 N C -0.828 174.640 175.510 -0.070 0.000 1.083 234 N CA 0.868 53.867 53.050 -0.085 0.000 0.703 234 N CB -0.880 37.590 38.487 -0.028 0.000 1.005 234 N HN 0.458 nan 8.380 nan 0.000 0.550 235 K N 0.824 121.161 120.400 -0.105 0.000 2.527 235 K HA 0.369 4.689 4.320 0.000 0.000 0.240 235 K C -0.365 176.175 176.600 -0.099 0.000 0.989 235 K CA -0.474 55.779 56.287 -0.057 0.000 0.985 235 K CB 1.747 34.220 32.500 -0.046 0.000 1.221 235 K HN -0.111 nan 8.250 nan 0.000 0.458 236 V N 3.764 123.636 119.914 -0.070 0.000 2.389 236 V HA 0.116 4.237 4.120 0.000 0.000 0.264 236 V C 0.534 176.614 176.094 -0.023 0.000 1.049 236 V CA -0.816 61.443 62.300 -0.069 0.000 0.932 236 V CB 1.251 33.096 31.823 0.037 0.000 1.011 236 V HN 0.312 nan 8.190 nan 0.000 0.475 237 V N 7.618 127.504 119.914 -0.046 0.000 2.521 237 V HA 0.141 4.261 4.120 0.000 0.000 0.286 237 V C 1.341 177.406 176.094 -0.048 0.000 1.034 237 V CA 0.222 62.498 62.300 -0.040 0.000 1.045 237 V CB 0.801 32.583 31.823 -0.070 0.000 0.974 237 V HN 1.034 nan 8.190 nan 0.000 0.480 238 R N 3.229 123.699 120.500 -0.050 0.000 2.344 238 R HA 0.407 4.748 4.340 0.000 0.000 0.209 238 R C 0.444 176.680 176.300 -0.107 0.000 0.886 238 R CA -0.164 55.901 56.100 -0.058 0.000 1.040 238 R CB 0.870 31.152 30.300 -0.029 0.000 1.114 238 R HN 0.661 nan 8.270 nan 0.000 0.547 239 E N 0.916 121.042 120.200 -0.124 0.000 2.352 239 E HA 0.390 4.740 4.350 0.000 0.000 0.280 239 E C -1.577 174.923 176.600 -0.167 0.000 0.930 239 E CA -0.767 55.539 56.400 -0.157 0.000 0.765 239 E CB 2.015 31.665 29.700 -0.084 0.000 1.219 239 E HN 0.183 nan 8.360 nan 0.000 0.434 240 I N 4.028 124.458 120.570 -0.233 0.000 2.439 240 I HA 0.334 4.504 4.170 0.000 0.000 0.283 240 I C -0.649 175.527 176.117 0.097 0.000 1.023 240 I CA -0.720 60.514 61.300 -0.109 0.000 1.100 240 I CB 1.652 39.510 38.000 -0.237 0.000 1.238 240 I HN 0.272 nan 8.210 nan 0.000 0.445 241 K N 6.990 127.450 120.400 0.101 0.000 2.185 241 K HA 0.591 4.911 4.320 0.000 0.000 0.269 241 K C -1.381 175.322 176.600 0.173 0.000 0.987 241 K CA -0.691 55.645 56.287 0.082 0.000 0.865 241 K CB 1.869 34.366 32.500 -0.005 0.000 1.090 241 K HN 0.489 nan 8.250 nan 0.000 0.450 242 Y N -1.502 118.817 120.300 0.032 0.000 2.524 242 Y HA 0.638 5.188 4.550 0.000 0.000 0.347 242 Y C -0.508 175.402 175.900 0.016 0.000 1.005 242 Y CA -1.078 57.037 58.100 0.024 0.000 1.025 242 Y CB 1.781 40.267 38.460 0.042 0.000 1.275 242 Y HN 0.623 nan 8.280 nan 0.000 0.460 243 S N 0.345 116.096 115.700 0.085 0.000 2.671 243 S HA 0.569 5.039 4.470 0.000 0.000 0.277 243 S C -2.777 171.861 174.600 0.064 0.000 1.165 243 S CA -1.604 56.605 58.200 0.016 0.000 0.822 243 S CB 1.865 65.049 63.200 -0.027 0.000 1.150 243 S HN 0.393 nan 8.310 nan 0.000 0.479 244 P HA 0.074 nan 4.420 nan 0.000 0.218 244 P C 1.524 178.839 177.300 0.024 0.000 1.148 244 P CA 1.779 64.908 63.100 0.047 0.000 0.822 244 P CB -0.345 31.374 31.700 0.032 0.000 0.784 245 G N -1.805 106.998 108.800 0.005 0.000 2.430 245 G HA2 0.316 4.276 3.960 0.000 0.000 0.216 245 G HA3 0.316 4.276 3.960 0.000 0.000 0.216 245 G C 0.722 175.594 174.900 -0.047 0.000 1.146 245 G CA 0.796 45.886 45.100 -0.017 0.000 0.793 245 G HN 0.553 nan 8.290 nan 0.000 0.537 246 G N -1.964 106.816 108.800 -0.032 0.000 2.364 246 G HA2 0.441 4.401 3.960 0.000 0.000 0.286 246 G HA3 0.441 4.401 3.960 0.000 0.000 0.286 246 G C -2.092 172.810 174.900 0.004 0.000 1.241 246 G CA 0.096 45.157 45.100 -0.064 0.000 0.887 246 G HN 0.544 nan 8.290 nan 0.000 0.484 247 V N -0.380 119.535 119.914 0.002 0.000 3.049 247 V HA 0.819 4.939 4.120 0.000 0.000 0.309 247 V C -0.528 175.589 176.094 0.039 0.000 1.148 247 V CA -0.549 61.785 62.300 0.057 0.000 0.990 247 V CB 2.268 34.130 31.823 0.065 0.000 1.039 247 V HN 0.945 nan 8.190 nan 0.000 0.430 248 T N 2.375 116.958 114.554 0.049 0.000 2.861 248 T HA 0.691 5.041 4.350 0.000 0.000 0.287 248 T C -0.987 173.738 174.700 0.041 0.000 1.003 248 T CA -0.430 61.692 62.100 0.036 0.000 0.977 248 T CB 1.802 70.676 68.868 0.010 0.000 0.996 248 T HN 0.390 nan 8.240 nan 0.000 0.448 249 V N 3.810 123.763 119.914 0.065 0.000 2.540 249 V HA 0.545 4.665 4.120 0.000 0.000 0.302 249 V C -0.434 175.708 176.094 0.081 0.000 1.035 249 V CA -0.933 61.406 62.300 0.064 0.000 0.873 249 V CB 1.951 33.826 31.823 0.086 0.000 0.992 249 V HN 0.731 nan 8.190 nan 0.000 0.428 250 K N 2.488 122.901 120.400 0.023 0.000 2.324 250 K HA 0.690 5.010 4.320 0.000 0.000 0.253 250 K C -0.282 176.326 176.600 0.013 0.000 0.932 250 K CA -0.641 55.644 56.287 -0.003 0.000 0.799 250 K CB 2.407 34.884 32.500 -0.037 0.000 1.154 250 K HN 0.841 nan 8.250 nan 0.000 0.425 251 T N -2.053 112.518 114.554 0.028 0.000 2.944 251 T HA 0.171 4.521 4.350 0.000 0.000 0.284 251 T C 1.114 175.817 174.700 0.005 0.000 1.010 251 T CA -0.800 61.322 62.100 0.036 0.000 1.025 251 T CB 1.739 70.661 68.868 0.091 0.000 1.079 251 T HN 0.702 nan 8.240 nan 0.000 0.516 252 E N 0.338 120.545 120.200 0.011 0.000 2.204 252 E HA -0.179 4.171 4.350 0.000 0.000 0.195 252 E C 0.800 177.402 176.600 0.004 0.000 0.990 252 E CA 1.357 57.763 56.400 0.009 0.000 0.821 252 E CB -0.085 29.633 29.700 0.030 0.000 0.750 252 E HN 0.789 nan 8.360 nan 0.000 0.477 253 D N -0.445 119.959 120.400 0.006 0.000 2.370 253 D HA -0.042 4.598 4.640 0.000 0.000 0.230 253 D C -0.188 176.099 176.300 -0.021 0.000 1.143 253 D CA -0.073 53.926 54.000 -0.001 0.000 0.834 253 D CB -0.291 40.514 40.800 0.008 0.000 0.944 253 D HN 0.109 nan 8.370 nan 0.000 0.504 254 N N -0.789 117.893 118.700 -0.031 0.000 2.909 254 N HA -0.164 4.576 4.740 0.000 0.000 0.242 254 N C -0.662 174.784 175.510 -0.107 0.000 0.975 254 N CA 0.834 53.850 53.050 -0.058 0.000 0.921 254 N CB -1.842 36.614 38.487 -0.051 0.000 1.112 254 N HN 0.238 nan 8.380 nan 0.000 0.581 255 S N 0.363 115.991 115.700 -0.121 0.000 2.585 255 S HA 0.514 4.984 4.470 0.000 0.000 0.273 255 S C 0.608 174.951 174.600 -0.428 0.000 1.339 255 S CA -0.405 57.612 58.200 -0.306 0.000 1.028 255 S CB 2.445 65.485 63.200 -0.267 0.000 0.906 255 S HN 0.123 nan 8.310 nan 0.000 0.528 256 V N 2.566 122.083 119.914 -0.662 0.000 2.638 256 V HA 0.509 4.629 4.120 0.000 0.000 0.306 256 V C -1.476 174.240 176.094 -0.630 0.000 1.052 256 V CA -0.669 61.359 62.300 -0.454 0.000 0.885 256 V CB 1.141 32.827 31.823 -0.227 0.000 0.999 256 V HN 0.881 nan 8.190 nan 0.000 0.424 257 Y N 1.027 121.310 120.300 -0.029 0.000 2.576 257 Y HA 0.745 5.295 4.550 0.000 0.000 0.346 257 Y C 0.333 176.217 175.900 -0.025 0.000 1.018 257 Y CA -0.790 57.295 58.100 -0.026 0.000 1.050 257 Y CB 2.574 41.018 38.460 -0.027 0.000 1.280 257 Y HN 0.522 nan 8.280 nan 0.000 0.474 258 S N 0.719 116.506 115.700 0.145 0.000 2.542 258 S HA 0.950 5.420 4.470 0.000 0.000 0.293 258 S C -0.967 173.659 174.600 0.044 0.000 1.089 258 S CA -0.657 57.581 58.200 0.063 0.000 0.961 258 S CB 1.923 65.139 63.200 0.026 0.000 1.062 258 S HN 0.856 nan 8.310 nan 0.000 0.483 259 A N 0.963 123.786 122.820 0.007 0.000 2.536 259 A HA 0.644 4.964 4.320 0.000 0.000 0.293 259 A C -0.524 177.000 177.584 -0.099 0.000 1.119 259 A CA -0.573 51.451 52.037 -0.023 0.000 0.654 259 A CB 0.393 19.395 19.000 0.003 0.000 1.291 259 A HN 0.636 nan 8.150 nan 0.000 0.439 260 D N -1.064 119.225 120.400 -0.186 0.000 2.240 260 D HA 0.169 4.809 4.640 0.000 0.000 0.206 260 D C -0.536 175.279 176.300 -0.809 0.000 0.963 260 D CA 1.905 55.592 54.000 -0.521 0.000 0.863 260 D CB 0.166 40.576 40.800 -0.650 0.000 0.973 260 D HN 0.470 nan 8.370 nan 0.000 0.501 261 Y N -1.168 119.155 120.300 0.038 0.000 2.625 261 Y HA 0.440 4.990 4.550 0.000 0.000 0.338 261 Y C -0.500 175.416 175.900 0.026 0.000 1.123 261 Y CA -1.170 56.970 58.100 0.066 0.000 1.046 261 Y CB 2.206 40.704 38.460 0.063 0.000 1.299 261 Y HN -0.374 nan 8.280 nan 0.000 0.464 262 V N 2.744 122.782 119.914 0.207 0.000 2.876 262 V HA 0.741 4.861 4.120 0.000 0.000 0.312 262 V C -1.558 174.562 176.094 0.043 0.000 1.085 262 V CA -0.815 61.525 62.300 0.067 0.000 0.945 262 V CB 1.983 33.813 31.823 0.013 0.000 1.017 262 V HN 0.769 nan 8.190 nan 0.000 0.428 263 M N 6.812 126.396 119.600 -0.027 0.000 2.085 263 M HA 0.605 5.086 4.480 0.000 0.000 0.309 263 M C -1.560 174.683 176.300 -0.096 0.000 0.947 263 M CA -0.213 55.046 55.300 -0.068 0.000 0.918 263 M CB 1.401 33.955 32.600 -0.077 0.000 1.504 263 M HN 0.380 nan 8.290 nan 0.000 0.420 264 V N 4.563 124.376 119.914 -0.168 0.000 2.385 264 V HA 0.411 4.531 4.120 0.000 0.000 0.269 264 V C 0.646 176.766 176.094 0.042 0.000 1.043 264 V CA 0.160 62.419 62.300 -0.068 0.000 0.906 264 V CB 0.800 32.577 31.823 -0.076 0.000 0.995 264 V HN 1.003 nan 8.190 nan 0.000 0.467 265 S N 3.171 118.903 115.700 0.054 0.000 2.578 265 S HA 0.387 4.857 4.470 0.000 0.000 0.231 265 S C 0.770 175.457 174.600 0.146 0.000 0.994 265 S CA 0.239 58.494 58.200 0.091 0.000 0.956 265 S CB 0.369 63.591 63.200 0.037 0.000 0.870 265 S HN 0.932 nan 8.310 nan 0.000 0.494 266 A N 2.586 125.482 122.820 0.126 0.000 2.483 266 A HA 0.554 4.874 4.320 0.000 0.000 0.238 266 A C 0.880 178.531 177.584 0.112 0.000 1.070 266 A CA 0.150 52.238 52.037 0.085 0.000 0.770 266 A CB -0.134 18.899 19.000 0.055 0.000 1.008 266 A HN 1.000 nan 8.150 nan 0.000 0.497 267 S N 1.362 117.092 115.700 0.050 0.000 2.572 267 S HA 0.098 4.568 4.470 0.000 0.000 0.267 267 S C 1.107 175.507 174.600 -0.334 0.000 1.361 267 S CA 0.253 58.425 58.200 -0.046 0.000 1.009 267 S CB 0.228 63.466 63.200 0.065 0.000 0.888 267 S HN 1.412 nan 8.310 nan 0.000 0.553 268 L N 2.480 123.307 121.223 -0.660 0.000 2.042 268 L HA 0.136 4.476 4.340 0.000 0.000 0.210 268 L C 2.371 179.085 176.870 -0.260 0.000 1.076 268 L CA 2.515 56.975 54.840 -0.633 0.000 0.749 268 L CB -1.555 40.245 42.059 -0.431 0.000 0.893 268 L HN 0.963 nan 8.230 nan 0.000 0.432 269 G N -1.101 107.632 108.800 -0.112 0.000 2.422 269 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 269 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 269 G C 1.528 176.422 174.900 -0.011 0.000 1.146 269 G CA 1.016 46.115 45.100 -0.002 0.000 0.769 269 G HN 0.347 nan 8.290 nan 0.000 0.547 270 V N 0.836 120.734 119.914 -0.027 0.000 2.358 270 V HA -0.084 4.036 4.120 0.000 0.000 0.246 270 V C 2.898 178.984 176.094 -0.013 0.000 1.047 270 V CA 1.252 63.546 62.300 -0.010 0.000 1.035 270 V CB -0.327 31.493 31.823 -0.005 0.000 0.658 270 V HN 0.349 nan 8.190 nan 0.000 0.452 271 L N -0.519 120.664 121.223 -0.068 0.000 2.083 271 L HA -0.237 4.103 4.340 0.000 0.000 0.209 271 L C 2.479 179.252 176.870 -0.163 0.000 1.083 271 L CA 1.611 56.404 54.840 -0.078 0.000 0.752 271 L CB -0.546 41.396 42.059 -0.194 0.000 0.899 271 L HN 0.393 nan 8.230 nan 0.000 0.433 272 Q N -0.678 118.989 119.800 -0.222 0.000 2.482 272 Q HA -0.073 4.267 4.340 0.000 0.000 0.209 272 Q C 1.795 177.871 176.000 0.126 0.000 0.961 272 Q CA 1.081 56.717 55.803 -0.278 0.000 0.945 272 Q CB 0.138 28.759 28.738 -0.195 0.000 1.012 272 Q HN 0.534 nan 8.270 nan 0.000 0.515 273 S N -1.377 114.370 115.700 0.078 0.000 2.539 273 S HA 0.079 4.549 4.470 0.000 0.000 0.221 273 S C 0.034 174.691 174.600 0.096 0.000 0.987 273 S CA -0.134 58.128 58.200 0.103 0.000 0.929 273 S CB 0.477 63.703 63.200 0.043 0.000 0.832 273 S HN 0.170 nan 8.310 nan 0.000 0.492 274 D N 0.044 120.514 120.400 0.117 0.000 3.076 274 D HA -0.136 4.504 4.640 0.000 0.000 0.218 274 D C 0.523 176.857 176.300 0.057 0.000 1.156 274 D CA 0.821 54.886 54.000 0.108 0.000 0.921 274 D CB -1.714 39.144 40.800 0.096 0.000 1.113 274 D HN 0.493 nan 8.370 nan 0.000 0.418 275 L N -0.018 121.228 121.223 0.039 0.000 2.046 275 L HA 0.073 4.413 4.340 0.000 0.000 0.208 275 L C 0.834 177.699 176.870 -0.009 0.000 1.077 275 L CA 1.595 56.441 54.840 0.010 0.000 0.747 275 L CB 0.060 42.126 42.059 0.012 0.000 0.896 275 L HN 0.193 nan 8.230 nan 0.000 0.432 276 I N 0.775 121.333 120.570 -0.019 0.000 2.331 276 I HA 0.196 4.366 4.170 0.000 0.000 0.292 276 I C -0.021 175.986 176.117 -0.183 0.000 0.998 276 I CA -0.304 60.903 61.300 -0.155 0.000 1.267 276 I CB 1.241 39.064 38.000 -0.295 0.000 1.386 276 I HN 0.209 nan 8.210 nan 0.000 0.476 277 Q N 6.232 125.918 119.800 -0.191 0.000 2.274 277 Q HA 0.397 4.737 4.340 0.000 0.000 0.256 277 Q C -1.629 174.247 176.000 -0.206 0.000 0.927 277 Q CA -0.420 55.328 55.803 -0.090 0.000 0.939 277 Q CB 0.978 29.692 28.738 -0.040 0.000 1.201 277 Q HN 0.454 nan 8.270 nan 0.000 0.426 278 F N 2.853 122.852 119.950 0.082 0.000 2.421 278 F HA 0.449 4.976 4.527 0.000 0.000 0.337 278 F C 0.176 176.053 175.800 0.130 0.000 1.105 278 F CA -0.532 57.564 58.000 0.160 0.000 1.049 278 F CB 1.615 40.733 39.000 0.196 0.000 1.139 278 F HN 0.404 nan 8.300 nan 0.000 0.479 279 K N 5.405 125.960 120.400 0.257 0.000 2.613 279 K HA 0.370 4.690 4.320 0.000 0.000 0.248 279 K C -2.885 173.531 176.600 -0.307 0.000 0.959 279 K CA -2.098 54.198 56.287 0.014 0.000 0.855 279 K CB 1.878 34.369 32.500 -0.015 0.000 1.143 279 K HN 0.194 nan 8.250 nan 0.000 0.437 280 P HA 0.054 nan 4.420 nan 0.000 0.274 280 P C -0.888 176.462 177.300 0.084 0.000 1.246 280 P CA -0.320 62.685 63.100 -0.159 0.000 0.795 280 P CB 0.798 32.384 31.700 -0.190 0.000 1.006 281 K N 0.699 121.152 120.400 0.088 0.000 2.518 281 K HA 0.071 4.391 4.320 0.000 0.000 0.276 281 K C 0.522 177.179 176.600 0.095 0.000 0.974 281 K CA -0.071 56.289 56.287 0.123 0.000 0.986 281 K CB -0.164 32.368 32.500 0.054 0.000 0.901 281 K HN 0.387 nan 8.250 nan 0.000 0.497 282 L N 3.977 125.201 121.223 0.002 0.000 2.483 282 L HA 0.099 4.439 4.340 0.000 0.000 0.275 282 L C -1.760 174.957 176.870 -0.255 0.000 1.220 282 L CA -1.775 52.941 54.840 -0.206 0.000 0.833 282 L CB -0.066 41.726 42.059 -0.445 0.000 1.102 282 L HN 0.450 nan 8.230 nan 0.000 0.490 283 P HA 0.054 nan 4.420 nan 0.000 0.271 283 P C 0.490 177.467 177.300 -0.540 0.000 1.218 283 P CA -0.205 62.622 63.100 -0.455 0.000 0.780 283 P CB 0.604 31.837 31.700 -0.779 0.000 0.901 284 T N 1.227 115.634 114.554 -0.246 0.000 2.699 284 T HA -0.162 4.188 4.350 0.000 0.000 0.268 284 T C 1.542 176.172 174.700 -0.116 0.000 1.036 284 T CA 1.625 63.649 62.100 -0.126 0.000 1.147 284 T CB -0.527 68.344 68.868 0.005 0.000 0.862 284 T HN 0.631 nan 8.240 nan 0.000 0.446 285 W N 2.319 123.603 121.300 -0.028 0.000 2.374 285 W HA -0.057 4.603 4.660 0.000 0.000 0.288 285 W C 1.957 178.412 176.519 -0.107 0.000 1.218 285 W CA 1.160 58.478 57.345 -0.045 0.000 1.245 285 W CB -0.790 28.652 29.460 -0.030 0.000 1.126 285 W HN 0.173 nan 8.180 nan 0.000 0.545 286 K N 1.809 121.600 120.400 -1.014 0.000 2.031 286 K HA -0.099 4.221 4.320 0.000 0.000 0.205 286 K C 1.960 178.258 176.600 -0.504 0.000 1.049 286 K CA 2.326 58.011 56.287 -1.003 0.000 0.939 286 K CB -0.878 30.712 32.500 -1.516 0.000 0.717 286 K HN 0.026 nan 8.250 nan 0.000 0.438 287 V N 1.579 121.252 119.914 -0.401 0.000 2.287 287 V HA -0.262 3.858 4.120 0.000 0.000 0.248 287 V C 2.470 178.556 176.094 -0.013 0.000 1.053 287 V CA 2.261 64.462 62.300 -0.165 0.000 1.027 287 V CB -0.515 31.270 31.823 -0.065 0.000 0.646 287 V HN 0.337 nan 8.190 nan 0.000 0.447 288 R N -0.150 120.347 120.500 -0.004 0.000 2.096 288 R HA -0.097 4.243 4.340 0.000 0.000 0.235 288 R C 2.428 178.749 176.300 0.036 0.000 1.127 288 R CA 1.380 57.522 56.100 0.070 0.000 0.968 288 R CB -0.547 29.800 30.300 0.079 0.000 0.861 288 R HN 0.552 nan 8.270 nan 0.000 0.440 289 A N 1.198 123.998 122.820 -0.032 0.000 1.933 289 A HA -0.134 4.186 4.320 0.000 0.000 0.218 289 A C 2.113 179.615 177.584 -0.136 0.000 1.175 289 A CA 1.104 53.102 52.037 -0.065 0.000 0.628 289 A CB -0.409 18.526 19.000 -0.107 0.000 0.814 289 A HN 0.168 nan 8.150 nan 0.000 0.444 290 I N -1.909 118.510 120.570 -0.252 0.000 2.142 290 I HA -0.302 3.868 4.170 0.000 0.000 0.240 290 I C 2.326 178.235 176.117 -0.346 0.000 1.078 290 I CA 1.651 62.721 61.300 -0.385 0.000 1.343 290 I CB -0.430 37.231 38.000 -0.565 0.000 1.046 290 I HN 0.427 nan 8.210 nan 0.000 0.405 291 Y N 0.597 120.864 120.300 -0.056 0.000 2.352 291 Y HA -0.185 4.365 4.550 0.000 0.000 0.292 291 Y C 2.622 178.525 175.900 0.006 0.000 1.136 291 Y CA 0.924 59.012 58.100 -0.019 0.000 1.227 291 Y CB -0.279 38.169 38.460 -0.022 0.000 0.991 291 Y HN 0.232 nan 8.280 nan 0.000 0.545 292 Q N -0.977 118.894 119.800 0.119 0.000 2.245 292 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 292 Q C 0.247 176.286 176.000 0.064 0.000 0.955 292 Q CA 0.398 56.256 55.803 0.093 0.000 0.870 292 Q CB -0.004 28.787 28.738 0.088 0.000 0.945 292 Q HN 0.302 nan 8.270 nan 0.000 0.461 293 F N 1.548 121.445 119.950 -0.088 0.000 2.406 293 F HA 0.057 4.584 4.527 0.000 0.000 0.327 293 F C 0.073 175.832 175.800 -0.069 0.000 1.153 293 F CA -0.438 57.493 58.000 -0.115 0.000 1.218 293 F CB 0.808 39.713 39.000 -0.158 0.000 1.215 293 F HN -0.129 nan 8.300 nan 0.000 0.570 294 D N 3.216 123.472 120.400 -0.241 0.000 2.177 294 D HA 0.267 4.907 4.640 0.000 0.000 0.247 294 D C -0.753 175.570 176.300 0.038 0.000 1.063 294 D CA -0.202 53.746 54.000 -0.088 0.000 0.867 294 D CB 1.618 42.319 40.800 -0.165 0.000 1.168 294 D HN 0.321 nan 8.370 nan 0.000 0.445 295 M N 2.629 122.248 119.600 0.032 0.000 2.047 295 M HA 0.521 5.001 4.480 0.000 0.000 0.342 295 M C -0.760 175.518 176.300 -0.037 0.000 1.058 295 M CA -0.461 54.858 55.300 0.032 0.000 0.991 295 M CB 0.707 33.334 32.600 0.045 0.000 1.474 295 M HN 0.375 nan 8.290 nan 0.000 0.419 296 A N 4.076 126.829 122.820 -0.112 0.000 2.259 296 A HA 0.812 5.132 4.320 0.000 0.000 0.278 296 A C -0.904 176.493 177.584 -0.312 0.000 1.107 296 A CA -0.637 51.270 52.037 -0.215 0.000 0.828 296 A CB 0.736 19.594 19.000 -0.237 0.000 1.111 296 A HN 0.696 nan 8.150 nan 0.000 0.498 297 V N -0.003 119.753 119.914 -0.264 0.000 2.577 297 V HA 0.407 4.528 4.120 0.000 0.000 0.303 297 V C -1.412 174.630 176.094 -0.086 0.000 1.042 297 V CA -0.271 61.934 62.300 -0.160 0.000 0.872 297 V CB 1.362 33.138 31.823 -0.077 0.000 0.998 297 V HN 0.783 nan 8.190 nan 0.000 0.423 298 Y N 2.655 122.829 120.300 -0.211 0.000 2.327 298 Y HA 0.617 5.167 4.550 0.000 0.000 0.325 298 Y C -0.016 175.942 175.900 0.098 0.000 0.999 298 Y CA -0.218 57.853 58.100 -0.049 0.000 1.195 298 Y CB 1.899 40.333 38.460 -0.044 0.000 1.132 298 Y HN 0.659 nan 8.280 nan 0.000 0.455 299 T N 6.682 121.236 114.554 -0.000 0.000 2.756 299 T HA 0.317 4.667 4.350 0.000 0.000 0.290 299 T C -0.607 174.072 174.700 -0.035 0.000 0.985 299 T CA -0.850 61.307 62.100 0.095 0.000 0.955 299 T CB 0.455 69.377 68.868 0.091 0.000 0.930 299 T HN 0.473 nan 8.240 nan 0.000 0.451 300 K N 3.703 124.159 120.400 0.093 0.000 2.231 300 K HA 0.346 4.666 4.320 0.000 0.000 0.275 300 K C -0.296 176.192 176.600 -0.187 0.000 1.105 300 K CA -0.221 56.028 56.287 -0.064 0.000 0.931 300 K CB 0.330 32.924 32.500 0.157 0.000 1.296 300 K HN 0.578 nan 8.250 nan 0.000 0.446 301 I N 4.406 124.824 120.570 -0.253 0.000 2.308 301 I HA 0.138 4.308 4.170 0.000 0.000 0.293 301 I C -0.199 175.726 176.117 -0.320 0.000 1.078 301 I CA -0.488 60.700 61.300 -0.186 0.000 1.292 301 I CB 0.049 37.989 38.000 -0.099 0.000 1.423 301 I HN 0.294 nan 8.210 nan 0.000 0.493 302 F N 6.872 126.687 119.950 -0.225 0.000 2.396 302 F HA 0.508 5.035 4.527 0.000 0.000 0.343 302 F C 0.106 175.703 175.800 -0.337 0.000 1.104 302 F CA -0.330 57.444 58.000 -0.377 0.000 1.161 302 F CB 0.858 39.285 39.000 -0.955 0.000 1.146 302 F HN 0.207 nan 8.300 nan 0.000 0.522 303 L N 3.008 124.338 121.223 0.179 0.000 2.408 303 L HA 0.489 4.829 4.340 0.000 0.000 0.268 303 L C -0.740 176.283 176.870 0.254 0.000 0.986 303 L CA -0.907 54.044 54.840 0.185 0.000 0.820 303 L CB 2.244 44.346 42.059 0.072 0.000 1.303 303 L HN 0.461 nan 8.230 nan 0.000 0.411 304 K N 2.286 122.743 120.400 0.095 0.000 2.274 304 K HA 0.688 5.008 4.320 0.000 0.000 0.262 304 K C -1.525 174.904 176.600 -0.285 0.000 0.961 304 K CA -0.164 56.119 56.287 -0.006 0.000 0.833 304 K CB 0.934 33.340 32.500 -0.157 0.000 1.102 304 K HN 0.272 nan 8.250 nan 0.000 0.436 305 F N 4.826 124.952 119.950 0.293 0.000 2.507 305 F HA 0.412 4.939 4.527 0.000 0.000 0.327 305 F C -1.264 174.652 175.800 0.194 0.000 1.068 305 F CA -2.142 56.037 58.000 0.298 0.000 0.965 305 F CB 1.770 41.072 39.000 0.503 0.000 1.192 305 F HN 0.520 nan 8.300 nan 0.000 0.476 306 P HA -0.063 nan 4.420 nan 0.000 0.222 306 P C -0.495 176.902 177.300 0.162 0.000 1.153 306 P CA 1.212 64.426 63.100 0.190 0.000 0.798 306 P CB 0.557 32.348 31.700 0.151 0.000 0.796 307 R N -1.695 118.928 120.500 0.205 0.000 2.734 307 R HA 0.478 4.818 4.340 0.000 0.000 0.271 307 R C -0.797 175.457 176.300 -0.077 0.000 1.021 307 R CA -1.141 54.986 56.100 0.046 0.000 0.893 307 R CB 1.102 31.400 30.300 -0.004 0.000 1.244 307 R HN -0.310 nan 8.270 nan 0.000 0.464 308 K N 1.482 121.603 120.400 -0.465 0.000 2.276 308 K HA 0.183 4.503 4.320 0.000 0.000 0.283 308 K C -0.656 175.267 176.600 -1.129 0.000 1.044 308 K CA -0.383 55.075 56.287 -1.383 0.000 0.944 308 K CB 0.428 32.191 32.500 -1.229 0.000 1.012 308 K HN 0.666 nan 8.250 nan 0.000 0.472 309 F N 1.294 120.518 119.950 -1.209 0.000 2.838 309 F HA 0.333 4.860 4.527 0.000 0.000 0.329 309 F C -0.619 174.657 175.800 -0.875 0.000 1.116 309 F CA -1.287 56.259 58.000 -0.756 0.000 1.155 309 F CB -0.451 38.229 39.000 -0.534 0.000 1.106 309 F HN 0.390 nan 8.300 nan 0.000 0.538 310 W N 0.796 121.366 121.300 -1.216 0.000 2.578 310 W HA 0.890 5.550 4.660 0.000 0.000 0.364 310 W C -2.987 173.175 176.519 -0.595 0.000 1.144 310 W CA -2.966 53.685 57.345 -1.157 0.000 1.242 310 W CB -0.524 28.231 29.460 -1.175 0.000 1.382 310 W HN -0.360 nan 8.180 nan 0.000 0.625 311 P HA 0.214 nan 4.420 nan 0.000 0.274 311 P C -0.966 176.310 177.300 -0.039 0.000 1.231 311 P CA -0.087 62.947 63.100 -0.110 0.000 0.790 311 P CB 0.914 32.602 31.700 -0.020 0.000 0.951 312 E N 0.075 120.221 120.200 -0.089 0.000 2.367 312 E HA 0.680 5.030 4.350 0.000 0.000 0.273 312 E C -0.451 176.097 176.600 -0.087 0.000 0.903 312 E CA -0.849 55.514 56.400 -0.062 0.000 0.764 312 E CB 2.185 31.836 29.700 -0.082 0.000 1.252 312 E HN 0.688 nan 8.360 nan 0.000 0.446 313 G N 1.451 110.194 108.800 -0.095 0.000 2.331 313 G HA2 -0.105 3.855 3.960 0.000 0.000 0.402 313 G HA3 -0.105 3.855 3.960 0.000 0.000 0.402 313 G C -1.202 173.605 174.900 -0.156 0.000 1.275 313 G CA -1.001 44.032 45.100 -0.111 0.000 1.003 313 G HN 0.428 nan 8.290 nan 0.000 0.500 314 K N 0.547 120.830 120.400 -0.194 0.000 2.472 314 K HA 0.396 4.717 4.320 0.000 0.000 0.280 314 K C 1.532 177.825 176.600 -0.510 0.000 1.028 314 K CA 1.634 57.713 56.287 -0.346 0.000 1.045 314 K CB -0.070 32.225 32.500 -0.341 0.000 0.902 314 K HN 2.332 nan 8.250 nan 0.000 0.478 315 G N 3.842 112.244 108.800 -0.663 0.000 2.189 315 G HA2 -0.292 3.668 3.960 0.000 0.000 0.267 315 G HA3 -0.292 3.668 3.960 0.000 0.000 0.267 315 G C 0.804 175.667 174.900 -0.062 0.000 0.975 315 G CA 0.316 45.120 45.100 -0.492 0.000 0.644 315 G HN 0.669 nan 8.290 nan 0.000 0.537 316 R N 0.413 120.859 120.500 -0.091 0.000 2.240 316 R HA 0.144 4.485 4.340 0.000 0.000 0.203 316 R C 2.031 178.344 176.300 0.022 0.000 1.011 316 R CA 1.021 57.117 56.100 -0.006 0.000 1.007 316 R CB -0.453 29.818 30.300 -0.048 0.000 0.911 316 R HN 0.752 nan 8.270 nan 0.000 0.468 317 E N 0.145 120.282 120.200 -0.106 0.000 2.097 317 E HA -0.141 4.209 4.350 0.000 0.000 0.196 317 E C -0.554 175.774 176.600 -0.453 0.000 1.000 317 E CA 1.026 57.199 56.400 -0.378 0.000 0.804 317 E CB 0.100 29.413 29.700 -0.645 0.000 0.740 317 E HN 0.117 nan 8.360 nan 0.000 0.454 318 F N 0.034 120.110 119.950 0.210 0.000 2.469 318 F HA 0.405 4.932 4.527 0.000 0.000 0.332 318 F C -0.401 175.655 175.800 0.426 0.000 1.103 318 F CA -1.174 56.982 58.000 0.259 0.000 0.979 318 F CB 1.428 40.588 39.000 0.266 0.000 1.137 318 F HN -0.081 nan 8.300 nan 0.000 0.463 319 F N 0.931 121.098 119.950 0.361 0.000 2.631 319 F HA 0.836 5.363 4.527 0.000 0.000 0.308 319 F C -2.120 173.927 175.800 0.412 0.000 1.097 319 F CA -1.433 56.784 58.000 0.361 0.000 0.952 319 F CB 1.340 40.584 39.000 0.406 0.000 1.307 319 F HN 0.172 nan 8.300 nan 0.000 0.450 320 L N 2.175 123.707 121.223 0.515 0.000 2.342 320 L HA 0.485 4.825 4.340 0.000 0.000 0.271 320 L C -1.598 175.621 176.870 0.582 0.000 1.008 320 L CA -1.212 53.881 54.840 0.422 0.000 0.818 320 L CB 2.228 44.429 42.059 0.235 0.000 1.296 320 L HN 0.734 nan 8.230 nan 0.000 0.427 321 Y N 1.618 122.147 120.300 0.381 0.000 2.334 321 Y HA 0.560 5.111 4.550 0.000 0.000 0.336 321 Y C 0.066 176.125 175.900 0.266 0.000 0.960 321 Y CA -1.370 56.935 58.100 0.341 0.000 1.164 321 Y CB 1.595 40.282 38.460 0.378 0.000 1.155 321 Y HN 0.580 nan 8.280 nan 0.000 0.478 322 A N 5.094 127.834 122.820 -0.134 0.000 3.037 322 A HA 0.311 4.631 4.320 0.000 0.000 0.272 322 A C 0.502 177.850 177.584 -0.393 0.000 1.723 322 A CA 0.105 52.060 52.037 -0.137 0.000 1.413 322 A CB -0.977 18.092 19.000 0.114 0.000 1.112 322 A HN 0.654 nan 8.150 nan 0.000 0.606 323 S N 0.920 116.350 115.700 -0.449 0.000 2.576 323 S HA 0.216 4.686 4.470 0.000 0.000 0.276 323 S C 1.584 176.136 174.600 -0.080 0.000 1.339 323 S CA 0.088 58.113 58.200 -0.293 0.000 1.039 323 S CB 0.555 63.806 63.200 0.086 0.000 0.902 323 S HN 1.109 nan 8.310 nan 0.000 0.516 324 S N 3.292 118.975 115.700 -0.029 0.000 2.561 324 S HA 0.050 4.520 4.470 0.000 0.000 0.225 324 S C 0.751 175.349 174.600 -0.003 0.000 0.977 324 S CA -0.007 58.190 58.200 -0.004 0.000 0.926 324 S CB -0.213 62.991 63.200 0.007 0.000 0.769 324 S HN 0.729 nan 8.310 nan 0.000 0.533 325 R N 2.009 122.509 120.500 -0.001 0.000 2.233 325 R HA 0.316 4.656 4.340 0.000 0.000 0.334 325 R C -0.143 176.176 176.300 0.032 0.000 1.037 325 R CA -0.720 55.372 56.100 -0.013 0.000 0.920 325 R CB 0.520 30.748 30.300 -0.120 0.000 1.137 325 R HN 0.252 nan 8.270 nan 0.000 0.492 326 R N 2.756 123.270 120.500 0.023 0.000 2.523 326 R HA -0.065 4.275 4.340 0.000 0.000 0.281 326 R C 0.571 176.862 176.300 -0.015 0.000 0.969 326 R CA 1.912 58.028 56.100 0.025 0.000 1.093 326 R CB 0.147 30.491 30.300 0.073 0.000 0.917 326 R HN 1.000 nan 8.270 nan 0.000 0.408 327 G N 3.064 111.724 108.800 -0.233 0.000 2.168 327 G HA2 -0.339 3.621 3.960 0.000 0.000 0.263 327 G HA3 -0.339 3.621 3.960 0.000 0.000 0.263 327 G C -0.381 174.309 174.900 -0.349 0.000 0.977 327 G CA 0.454 45.181 45.100 -0.622 0.000 0.659 327 G HN 0.710 nan 8.290 nan 0.000 0.533 328 Y N 1.111 121.257 120.300 -0.257 0.000 2.539 328 Y HA 0.448 4.998 4.550 0.000 0.000 0.352 328 Y C 1.079 176.969 175.900 -0.017 0.000 1.004 328 Y CA -0.949 57.045 58.100 -0.177 0.000 1.278 328 Y CB -0.614 37.857 38.460 0.017 0.000 1.136 328 Y HN 0.357 nan 8.280 nan 0.000 0.528 329 Y N 2.764 122.832 120.300 -0.386 0.000 2.973 329 Y HA -0.318 4.232 4.550 0.000 0.000 0.210 329 Y C 1.567 177.424 175.900 -0.071 0.000 1.191 329 Y CA 0.553 58.449 58.100 -0.340 0.000 0.991 329 Y CB -1.061 37.201 38.460 -0.331 0.000 1.231 329 Y HN 0.839 nan 8.280 nan 0.000 0.504 330 G N -0.705 108.019 108.800 -0.127 0.000 2.744 330 G HA2 0.261 4.221 3.960 0.000 0.000 0.211 330 G HA3 0.261 4.221 3.960 0.000 0.000 0.211 330 G C 0.097 175.016 174.900 0.031 0.000 1.146 330 G CA 0.552 45.664 45.100 0.020 0.000 0.787 330 G HN 0.195 nan 8.290 nan 0.000 0.534 331 V N 0.875 120.646 119.914 -0.238 0.000 2.376 331 V HA 0.474 4.594 4.120 0.000 0.000 0.287 331 V C -1.202 174.601 176.094 -0.484 0.000 1.015 331 V CA -1.049 61.106 62.300 -0.242 0.000 0.834 331 V CB 0.922 32.529 31.823 -0.359 0.000 1.001 331 V HN 0.283 nan 8.190 nan 0.000 0.428 332 W N 2.833 123.890 121.300 -0.407 0.000 2.570 332 W HA 0.740 5.400 4.660 0.000 0.000 0.337 332 W C 0.072 176.186 176.519 -0.675 0.000 1.067 332 W CA -0.378 56.504 57.345 -0.773 0.000 1.229 332 W CB 1.450 29.799 29.460 -1.853 0.000 1.355 332 W HN 0.444 nan 8.180 nan 0.000 0.555 333 Q N 2.140 121.739 119.800 -0.336 0.000 2.331 333 Q HA 0.332 4.672 4.340 0.000 0.000 0.272 333 Q C -1.223 174.362 176.000 -0.691 0.000 1.062 333 Q CA -0.774 54.756 55.803 -0.455 0.000 0.806 333 Q CB 2.137 30.672 28.738 -0.337 0.000 1.312 333 Q HN 0.566 nan 8.270 nan 0.000 0.431 334 E N 2.129 121.956 120.200 -0.622 0.000 2.195 334 E HA 0.339 4.689 4.350 0.000 0.000 0.271 334 E C -1.181 175.006 176.600 -0.690 0.000 0.923 334 E CA -0.569 55.485 56.400 -0.575 0.000 0.790 334 E CB 0.802 30.327 29.700 -0.291 0.000 1.155 334 E HN 0.518 nan 8.360 nan 0.000 0.402 335 F N 1.554 121.476 119.950 -0.046 0.000 2.916 335 F HA 0.163 4.690 4.527 0.000 0.000 0.294 335 F C 1.338 177.050 175.800 -0.146 0.000 1.189 335 F CA -0.417 57.496 58.000 -0.144 0.000 1.369 335 F CB 0.129 39.164 39.000 0.059 0.000 0.961 335 F HN 0.688 nan 8.300 nan 0.000 0.508 336 E N 0.484 120.681 120.200 -0.006 0.000 2.147 336 E HA -0.267 4.083 4.350 0.000 0.000 0.199 336 E C 1.371 177.884 176.600 -0.145 0.000 1.005 336 E CA 1.599 57.980 56.400 -0.032 0.000 0.810 336 E CB -0.180 29.487 29.700 -0.055 0.000 0.736 336 E HN 0.487 nan 8.360 nan 0.000 0.460 337 K N 0.038 120.238 120.400 -0.333 0.000 2.168 337 K HA -0.000 4.320 4.320 0.000 0.000 0.201 337 K C 2.297 178.483 176.600 -0.690 0.000 1.049 337 K CA 0.919 56.866 56.287 -0.567 0.000 0.974 337 K CB 0.107 31.988 32.500 -1.031 0.000 0.792 337 K HN 0.003 nan 8.250 nan 0.000 0.463 338 Q N -0.149 119.188 119.800 -0.771 0.000 2.046 338 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 338 Q C 0.084 175.644 176.000 -0.734 0.000 0.975 338 Q CA 1.417 56.697 55.803 -0.870 0.000 0.836 338 Q CB 0.127 28.101 28.738 -1.273 0.000 0.896 338 Q HN 0.361 nan 8.270 nan 0.000 0.428 339 Y N -0.026 120.268 120.300 -0.010 0.000 2.470 339 Y HA 0.339 4.889 4.550 0.000 0.000 0.352 339 Y C -2.235 173.708 175.900 0.073 0.000 0.967 339 Y CA -2.878 55.241 58.100 0.030 0.000 1.121 339 Y CB 0.537 39.010 38.460 0.021 0.000 1.149 339 Y HN 0.011 nan 8.280 nan 0.000 0.641 340 P HA -0.091 nan 4.420 nan 0.000 0.261 340 P C 0.132 177.499 177.300 0.113 0.000 1.173 340 P CA 0.917 64.069 63.100 0.086 0.000 0.760 340 P CB 0.784 32.505 31.700 0.036 0.000 0.783 341 D N 1.026 121.491 120.400 0.107 0.000 2.978 341 D HA -0.228 4.412 4.640 0.000 0.000 0.205 341 D C 1.194 177.571 176.300 0.128 0.000 1.093 341 D CA 1.772 55.825 54.000 0.089 0.000 1.006 341 D CB -1.604 39.224 40.800 0.047 0.000 1.116 341 D HN 0.532 nan 8.370 nan 0.000 0.419 342 A N 0.349 123.284 122.820 0.192 0.000 2.119 342 A HA -0.054 4.266 4.320 0.000 0.000 0.217 342 A C 1.069 178.812 177.584 0.265 0.000 1.153 342 A CA 1.308 53.461 52.037 0.193 0.000 0.692 342 A CB 0.043 19.162 19.000 0.198 0.000 0.799 342 A HN 0.274 nan 8.150 nan 0.000 0.458 343 N N -1.566 117.361 118.700 0.378 0.000 2.754 343 N HA -0.123 4.617 4.740 0.000 0.000 0.248 343 N C -0.547 175.375 175.510 0.686 0.000 1.093 343 N CA 1.029 54.430 53.050 0.585 0.000 0.699 343 N CB -1.852 36.888 38.487 0.421 0.000 1.016 343 N HN 0.257 nan 8.380 nan 0.000 0.552 344 V N 0.671 120.931 119.914 0.577 0.000 2.612 344 V HA 0.613 4.733 4.120 0.000 0.000 0.301 344 V C 0.707 177.062 176.094 0.434 0.000 1.046 344 V CA -0.569 62.071 62.300 0.565 0.000 0.946 344 V CB 2.320 34.498 31.823 0.592 0.000 1.003 344 V HN 0.131 nan 8.190 nan 0.000 0.459 345 L N 3.958 125.416 121.223 0.392 0.000 2.371 345 L HA 0.644 4.984 4.340 0.000 0.000 0.262 345 L C -1.363 175.685 176.870 0.296 0.000 1.006 345 L CA -0.845 54.093 54.840 0.163 0.000 0.818 345 L CB 2.255 44.391 42.059 0.129 0.000 1.354 345 L HN 0.456 nan 8.230 nan 0.000 0.415 346 L N 2.588 123.874 121.223 0.104 0.000 2.372 346 L HA 0.642 4.982 4.340 0.000 0.000 0.274 346 L C -1.284 175.383 176.870 -0.337 0.000 0.988 346 L CA -0.344 54.424 54.840 -0.120 0.000 0.833 346 L CB 1.798 43.880 42.059 0.038 0.000 1.236 346 L HN 0.312 nan 8.230 nan 0.000 0.410 347 V N 4.972 124.533 119.914 -0.588 0.000 2.459 347 V HA 0.683 4.803 4.120 0.000 0.000 0.295 347 V C -0.257 175.516 176.094 -0.534 0.000 1.029 347 V CA 0.032 61.714 62.300 -1.030 0.000 0.874 347 V CB 2.070 32.808 31.823 -1.808 0.000 0.985 347 V HN 0.934 nan 8.190 nan 0.000 0.438 348 T N 6.586 120.894 114.554 -0.410 0.000 2.824 348 T HA 0.685 5.035 4.350 0.000 0.000 0.280 348 T C -0.399 174.179 174.700 -0.203 0.000 0.995 348 T CA -0.266 61.678 62.100 -0.261 0.000 1.009 348 T CB 1.409 70.209 68.868 -0.114 0.000 0.955 348 T HN 0.997 nan 8.240 nan 0.000 0.452 349 V N 0.472 120.274 119.914 -0.188 0.000 3.102 349 V HA 1.019 5.139 4.120 0.000 0.000 0.312 349 V C -0.259 175.810 176.094 -0.042 0.000 1.135 349 V CA -0.948 61.299 62.300 -0.088 0.000 1.022 349 V CB 1.843 33.554 31.823 -0.186 0.000 1.056 349 V HN 1.024 nan 8.190 nan 0.000 0.436 350 T N -2.383 112.215 114.554 0.074 0.000 2.778 350 T HA 0.655 5.005 4.350 0.000 0.000 0.293 350 T C 0.049 174.754 174.700 0.009 0.000 1.144 350 T CA 0.480 62.603 62.100 0.039 0.000 1.010 350 T CB 1.521 70.435 68.868 0.076 0.000 1.325 350 T HN 1.521 nan 8.240 nan 0.000 0.515 351 D N 0.377 120.749 120.400 -0.047 0.000 3.740 351 D HA -0.277 4.363 4.640 0.000 0.000 0.147 351 D C 1.416 177.640 176.300 -0.128 0.000 0.885 351 D CA 2.204 56.148 54.000 -0.093 0.000 1.051 351 D CB -0.949 39.838 40.800 -0.021 0.000 0.480 351 D HN 0.815 nan 8.370 nan 0.000 0.469 352 E N -0.166 119.986 120.200 -0.080 0.000 2.058 352 E HA -0.207 4.143 4.350 0.000 0.000 0.194 352 E C 2.002 178.558 176.600 -0.073 0.000 0.997 352 E CA 1.250 57.596 56.400 -0.089 0.000 0.801 352 E CB -0.205 29.473 29.700 -0.037 0.000 0.746 352 E HN 0.396 nan 8.360 nan 0.000 0.450 353 E N 0.659 120.834 120.200 -0.041 0.000 2.077 353 E HA -0.120 4.230 4.350 0.000 0.000 0.193 353 E C 2.269 178.837 176.600 -0.054 0.000 0.989 353 E CA 0.660 57.026 56.400 -0.056 0.000 0.800 353 E CB -0.187 29.443 29.700 -0.116 0.000 0.746 353 E HN 0.062 nan 8.360 nan 0.000 0.452 354 S N 0.661 116.327 115.700 -0.057 0.000 2.359 354 S HA -0.150 4.320 4.470 0.000 0.000 0.224 354 S C 1.907 176.497 174.600 -0.016 0.000 1.035 354 S CA 1.086 59.273 58.200 -0.022 0.000 1.018 354 S CB -0.137 63.044 63.200 -0.032 0.000 0.876 354 S HN 0.255 nan 8.310 nan 0.000 0.448 355 R N 0.624 121.015 120.500 -0.181 0.000 2.096 355 R HA -0.023 4.317 4.340 0.000 0.000 0.235 355 R C 2.593 178.917 176.300 0.039 0.000 1.127 355 R CA 1.107 57.040 56.100 -0.278 0.000 0.968 355 R CB -0.249 29.635 30.300 -0.693 0.000 0.861 355 R HN 0.331 nan 8.270 nan 0.000 0.440 356 R N 1.097 121.606 120.500 0.015 0.000 2.066 356 R HA -0.071 4.269 4.340 0.000 0.000 0.232 356 R C 2.180 178.552 176.300 0.119 0.000 1.131 356 R CA 1.313 57.458 56.100 0.074 0.000 0.955 356 R CB -0.174 30.157 30.300 0.051 0.000 0.851 356 R HN 0.147 nan 8.270 nan 0.000 0.432 357 I N 0.929 121.561 120.570 0.103 0.000 2.315 357 I HA -0.218 3.952 4.170 0.000 0.000 0.248 357 I C 2.029 178.241 176.117 0.158 0.000 1.117 357 I CA 1.317 62.695 61.300 0.129 0.000 1.404 357 I CB -0.235 37.828 38.000 0.105 0.000 1.071 357 I HN 0.321 nan 8.210 nan 0.000 0.419 358 E N 0.474 120.797 120.200 0.205 0.000 2.204 358 E HA -0.261 4.090 4.350 0.000 0.000 0.195 358 E C 1.778 178.499 176.600 0.201 0.000 0.990 358 E CA 0.958 57.501 56.400 0.238 0.000 0.821 358 E CB -0.092 29.845 29.700 0.395 0.000 0.750 358 E HN 0.611 nan 8.360 nan 0.000 0.477 359 Q N 0.328 120.261 119.800 0.221 0.000 2.444 359 Q HA -0.025 4.315 4.340 0.000 0.000 0.206 359 Q C 0.579 176.651 176.000 0.120 0.000 0.948 359 Q CA 0.204 56.109 55.803 0.169 0.000 0.946 359 Q CB 0.225 29.087 28.738 0.205 0.000 1.027 359 Q HN 0.323 nan 8.270 nan 0.000 0.513 360 Q N -0.947 118.924 119.800 0.117 0.000 2.587 360 Q HA 0.506 4.846 4.340 0.000 0.000 0.293 360 Q C -0.584 175.471 176.000 0.091 0.000 1.083 360 Q CA -0.947 54.915 55.803 0.098 0.000 0.792 360 Q CB 1.099 29.902 28.738 0.108 0.000 1.484 360 Q HN 0.001 nan 8.270 nan 0.000 0.446 361 S N -0.082 115.666 115.700 0.080 0.000 2.579 361 S HA 0.036 4.506 4.470 0.000 0.000 0.275 361 S C 0.035 174.683 174.600 0.080 0.000 1.345 361 S CA -0.005 58.238 58.200 0.072 0.000 1.031 361 S CB 0.572 63.809 63.200 0.062 0.000 0.892 361 S HN 0.636 nan 8.310 nan 0.000 0.529 362 D N 0.891 121.335 120.400 0.074 0.000 2.178 362 D HA -0.119 4.521 4.640 0.000 0.000 0.201 362 D C 1.731 178.074 176.300 0.072 0.000 0.980 362 D CA 1.531 55.577 54.000 0.077 0.000 0.842 362 D CB -0.280 40.565 40.800 0.074 0.000 0.948 362 D HN 0.898 nan 8.370 nan 0.000 0.472 363 E N 0.207 120.446 120.200 0.064 0.000 2.106 363 E HA -0.252 4.098 4.350 0.000 0.000 0.192 363 E C 1.892 178.531 176.600 0.065 0.000 0.984 363 E CA 0.933 57.368 56.400 0.058 0.000 0.806 363 E CB 0.129 29.860 29.700 0.051 0.000 0.750 363 E HN 0.013 nan 8.360 nan 0.000 0.458 364 Q N 0.414 120.259 119.800 0.075 0.000 2.079 364 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 364 Q C 1.970 178.033 176.000 0.106 0.000 0.974 364 Q CA 2.478 58.335 55.803 0.089 0.000 0.840 364 Q CB -0.648 28.148 28.738 0.096 0.000 0.898 364 Q HN 0.218 nan 8.270 nan 0.000 0.430 365 T N 0.608 115.228 114.554 0.111 0.000 2.746 365 T HA -0.147 4.203 4.350 0.000 0.000 0.267 365 T C 1.587 176.312 174.700 0.041 0.000 1.039 365 T CA 1.572 63.750 62.100 0.129 0.000 1.142 365 T CB -0.242 68.710 68.868 0.139 0.000 0.866 365 T HN 0.430 nan 8.240 nan 0.000 0.444 366 K N 1.215 121.640 120.400 0.041 0.000 2.057 366 K HA -0.016 4.304 4.320 0.000 0.000 0.207 366 K C 2.428 179.039 176.600 0.019 0.000 1.049 366 K CA 1.251 57.550 56.287 0.020 0.000 0.931 366 K CB -0.320 32.203 32.500 0.039 0.000 0.714 366 K HN 0.265 nan 8.250 nan 0.000 0.440 367 A N 1.159 124.004 122.820 0.042 0.000 1.930 367 A HA -0.170 4.150 4.320 0.000 0.000 0.217 367 A C 1.828 179.439 177.584 0.045 0.000 1.175 367 A CA 1.625 53.691 52.037 0.049 0.000 0.627 367 A CB -0.437 18.600 19.000 0.062 0.000 0.815 367 A HN 0.503 nan 8.150 nan 0.000 0.443 368 E N -0.237 119.995 120.200 0.054 0.000 2.051 368 E HA -0.169 4.181 4.350 0.000 0.000 0.192 368 E C 1.861 178.390 176.600 -0.119 0.000 0.991 368 E CA 1.372 57.826 56.400 0.090 0.000 0.799 368 E CB -0.311 29.532 29.700 0.238 0.000 0.748 368 E HN 0.693 nan 8.360 nan 0.000 0.449 369 I N 0.721 121.076 120.570 -0.358 0.000 2.286 369 I HA -0.279 3.891 4.170 0.000 0.000 0.248 369 I C 2.331 178.405 176.117 -0.072 0.000 1.115 369 I CA 0.677 61.740 61.300 -0.395 0.000 1.392 369 I CB -0.166 37.644 38.000 -0.316 0.000 1.065 369 I HN 0.194 nan 8.210 nan 0.000 0.418 370 M N -0.025 119.575 119.600 0.000 0.000 2.159 370 M HA -0.221 4.259 4.480 0.000 0.000 0.263 370 M C 2.272 178.568 176.300 -0.008 0.000 1.063 370 M CA 1.786 57.108 55.300 0.037 0.000 1.110 370 M CB -1.223 31.410 32.600 0.055 0.000 1.374 370 M HN 0.335 nan 8.290 nan 0.000 0.411 371 Q N -0.602 119.203 119.800 0.008 0.000 2.119 371 Q HA -0.099 4.241 4.340 0.000 0.000 0.201 371 Q C 2.267 178.259 176.000 -0.013 0.000 0.972 371 Q CA 1.274 57.090 55.803 0.022 0.000 0.847 371 Q CB -0.297 28.490 28.738 0.082 0.000 0.903 371 Q HN 0.327 nan 8.270 nan 0.000 0.433 372 V N 1.437 121.323 119.914 -0.046 0.000 2.295 372 V HA -0.273 3.847 4.120 0.000 0.000 0.246 372 V C 2.245 178.151 176.094 -0.313 0.000 1.049 372 V CA 1.636 63.806 62.300 -0.216 0.000 1.024 372 V CB -0.535 31.134 31.823 -0.256 0.000 0.648 372 V HN 0.337 nan 8.190 nan 0.000 0.447 373 L N -0.599 120.501 121.223 -0.205 0.000 2.079 373 L HA -0.206 4.134 4.340 0.000 0.000 0.210 373 L C 2.731 179.543 176.870 -0.097 0.000 1.081 373 L CA 1.702 56.445 54.840 -0.163 0.000 0.752 373 L CB -0.532 41.475 42.059 -0.086 0.000 0.896 373 L HN 0.257 nan 8.230 nan 0.000 0.433 374 R N -0.311 120.123 120.500 -0.110 0.000 2.148 374 R HA -0.102 4.238 4.340 0.000 0.000 0.223 374 R C 2.205 178.476 176.300 -0.048 0.000 1.088 374 R CA 0.813 56.865 56.100 -0.081 0.000 0.985 374 R CB -0.075 30.183 30.300 -0.070 0.000 0.880 374 R HN 0.341 nan 8.270 nan 0.000 0.451 375 K N 0.176 120.538 120.400 -0.063 0.000 2.116 375 K HA 0.017 4.337 4.320 0.000 0.000 0.203 375 K C 2.000 178.569 176.600 -0.052 0.000 1.052 375 K CA 1.078 57.357 56.287 -0.013 0.000 0.952 375 K CB 0.073 32.609 32.500 0.060 0.000 0.729 375 K HN 0.111 nan 8.250 nan 0.000 0.446 376 M N -0.500 118.973 119.600 -0.212 0.000 2.175 376 M HA -0.069 4.411 4.480 0.000 0.000 0.264 376 M C 0.205 176.148 176.300 -0.594 0.000 1.063 376 M CA 1.506 56.533 55.300 -0.454 0.000 1.119 376 M CB 0.237 32.242 32.600 -0.992 0.000 1.377 376 M HN -0.033 nan 8.290 nan 0.000 0.415 377 F N -0.363 119.547 119.950 -0.067 0.000 2.542 377 F HA 0.279 4.806 4.527 0.000 0.000 0.323 377 F C -1.677 174.092 175.800 -0.052 0.000 1.411 377 F CA -1.766 56.218 58.000 -0.025 0.000 1.124 377 F CB 0.255 39.241 39.000 -0.023 0.000 1.331 377 F HN -0.064 nan 8.300 nan 0.000 0.560 378 P HA -0.109 nan 4.420 nan 0.000 0.220 378 P C 1.628 178.950 177.300 0.038 0.000 1.148 378 P CA 1.232 64.353 63.100 0.036 0.000 0.803 378 P CB 0.280 31.992 31.700 0.020 0.000 0.782 379 G N -0.601 108.239 108.800 0.066 0.000 2.650 379 G HA2 -0.055 3.905 3.960 0.000 0.000 0.214 379 G HA3 -0.055 3.905 3.960 0.000 0.000 0.214 379 G C 0.875 175.794 174.900 0.031 0.000 1.136 379 G CA 0.259 45.386 45.100 0.045 0.000 0.789 379 G HN 0.198 nan 8.290 nan 0.000 0.536 380 K N 0.398 120.824 120.400 0.044 0.000 2.177 380 K HA 0.312 4.632 4.320 0.000 0.000 0.238 380 K C -1.250 175.314 176.600 -0.061 0.000 1.015 380 K CA -0.802 55.480 56.287 -0.007 0.000 0.922 380 K CB 1.153 33.656 32.500 0.005 0.000 1.127 380 K HN -0.073 nan 8.250 nan 0.000 0.469 381 D N 1.324 121.674 120.400 -0.083 0.000 2.454 381 D HA 0.172 4.812 4.640 0.000 0.000 0.225 381 D C -1.046 175.143 176.300 -0.184 0.000 1.081 381 D CA -0.527 53.414 54.000 -0.099 0.000 0.864 381 D CB 0.529 41.293 40.800 -0.060 0.000 1.040 381 D HN 0.011 nan 8.370 nan 0.000 0.517 382 V N 6.824 126.555 119.914 -0.305 0.000 2.408 382 V HA 0.313 4.433 4.120 0.000 0.000 0.267 382 V C -1.754 174.150 176.094 -0.316 0.000 1.047 382 V CA -1.183 60.737 62.300 -0.633 0.000 0.937 382 V CB 1.078 32.420 31.823 -0.801 0.000 0.999 382 V HN 0.493 nan 8.190 nan 0.000 0.472 383 P HA 0.211 nan 4.420 nan 0.000 0.284 383 P C -0.645 176.777 177.300 0.204 0.000 1.253 383 P CA -0.485 62.646 63.100 0.052 0.000 0.800 383 P CB 0.994 32.788 31.700 0.157 0.000 0.961 384 D N 1.818 122.315 120.400 0.162 0.000 2.488 384 D HA 0.163 4.803 4.640 0.000 0.000 0.238 384 D C 0.124 176.562 176.300 0.231 0.000 1.138 384 D CA 0.172 54.284 54.000 0.186 0.000 0.873 384 D CB 0.487 41.343 40.800 0.094 0.000 1.183 384 D HN 0.405 nan 8.370 nan 0.000 0.458 385 A N 2.840 125.738 122.820 0.129 0.000 2.531 385 A HA 0.237 4.557 4.320 0.000 0.000 0.236 385 A C 1.347 178.871 177.584 -0.100 0.000 1.062 385 A CA 0.506 52.349 52.037 -0.323 0.000 0.760 385 A CB 0.015 18.742 19.000 -0.454 0.000 0.995 385 A HN 0.716 nan 8.150 nan 0.000 0.501 386 T N -1.374 113.118 114.554 -0.102 0.000 3.060 386 T HA 0.273 4.623 4.350 0.000 0.000 0.249 386 T C 0.037 174.706 174.700 -0.052 0.000 1.079 386 T CA 0.621 62.698 62.100 -0.038 0.000 1.013 386 T CB -0.021 68.832 68.868 -0.025 0.000 0.975 386 T HN 0.636 nan 8.240 nan 0.000 0.518 387 D N -0.235 120.128 120.400 -0.061 0.000 2.717 387 D HA 0.608 5.248 4.640 0.000 0.000 0.223 387 D C -1.828 174.615 176.300 0.239 0.000 1.240 387 D CA -0.661 53.353 54.000 0.023 0.000 0.801 387 D CB 2.571 43.253 40.800 -0.197 0.000 1.556 387 D HN 0.275 nan 8.370 nan 0.000 0.462 388 I N 1.894 122.674 120.570 0.350 0.000 2.827 388 I HA 0.565 4.735 4.170 0.000 0.000 0.298 388 I C -2.161 174.105 176.117 0.247 0.000 1.235 388 I CA -0.901 60.565 61.300 0.277 0.000 1.021 388 I CB 1.981 40.050 38.000 0.115 0.000 1.259 388 I HN 0.310 nan 8.210 nan 0.000 0.427 389 L N 8.221 129.443 121.223 -0.000 0.000 2.404 389 L HA 0.639 4.979 4.340 0.000 0.000 0.272 389 L C -1.716 175.179 176.870 0.040 0.000 0.980 389 L CA -0.363 54.473 54.840 -0.007 0.000 0.836 389 L CB 1.789 43.697 42.059 -0.251 0.000 1.238 389 L HN 0.324 nan 8.230 nan 0.000 0.408 390 V N 6.734 126.690 119.914 0.070 0.000 2.293 390 V HA 0.461 4.581 4.120 0.000 0.000 0.275 390 V C -2.077 174.071 176.094 0.090 0.000 1.021 390 V CA -1.341 61.012 62.300 0.088 0.000 0.815 390 V CB 0.989 32.866 31.823 0.091 0.000 1.025 390 V HN 0.708 nan 8.190 nan 0.000 0.448 391 P HA 0.287 nan 4.420 nan 0.000 0.268 391 P C -0.134 177.215 177.300 0.082 0.000 1.204 391 P CA -0.080 63.057 63.100 0.063 0.000 0.768 391 P CB 0.449 32.308 31.700 0.265 0.000 0.842 392 R N 2.474 122.944 120.500 -0.049 0.000 3.194 392 R HA 0.164 4.504 4.340 0.000 0.000 0.306 392 R C 0.301 176.665 176.300 0.106 0.000 1.347 392 R CA -0.122 56.023 56.100 0.075 0.000 1.540 392 R CB -0.061 30.264 30.300 0.042 0.000 1.352 392 R HN 0.630 nan 8.270 nan 0.000 0.621 393 W N -0.329 121.080 121.300 0.183 0.000 2.363 393 W HA -0.180 4.480 4.660 0.000 0.000 0.296 393 W C 1.843 178.514 176.519 0.254 0.000 1.212 393 W CA 0.399 57.861 57.345 0.195 0.000 1.260 393 W CB -0.100 29.458 29.460 0.164 0.000 1.131 393 W HN 0.532 nan 8.180 nan 0.000 0.530 394 W N 1.010 122.489 121.300 0.299 0.000 2.388 394 W HA -0.157 4.503 4.660 0.000 0.000 0.294 394 W C 2.105 178.703 176.519 0.132 0.000 1.212 394 W CA 2.015 59.469 57.345 0.181 0.000 1.271 394 W CB -0.767 28.767 29.460 0.123 0.000 1.126 394 W HN -0.338 nan 8.180 nan 0.000 0.535 395 S N -0.159 115.507 115.700 -0.056 0.000 2.481 395 S HA -0.119 4.351 4.470 0.000 0.000 0.231 395 S C 0.320 174.815 174.600 -0.176 0.000 0.996 395 S CA 0.654 58.673 58.200 -0.302 0.000 0.942 395 S CB -0.470 62.625 63.200 -0.175 0.000 0.768 395 S HN 0.191 nan 8.310 nan 0.000 0.520 396 D N 1.948 122.339 120.400 -0.015 0.000 2.317 396 D HA 0.049 4.689 4.640 0.000 0.000 0.252 396 D C 1.291 177.538 176.300 -0.087 0.000 1.174 396 D CA -0.402 53.588 54.000 -0.017 0.000 0.866 396 D CB 0.755 41.682 40.800 0.213 0.000 1.127 396 D HN 0.281 nan 8.370 nan 0.000 0.467 397 R N 3.258 123.559 120.500 -0.332 0.000 2.193 397 R HA -0.113 4.227 4.340 0.000 0.000 0.229 397 R C 1.111 177.184 176.300 -0.379 0.000 1.110 397 R CA 1.099 56.965 56.100 -0.391 0.000 0.988 397 R CB -0.441 29.557 30.300 -0.504 0.000 0.871 397 R HN 0.375 nan 8.270 nan 0.000 0.458 398 F N -0.769 119.085 119.950 -0.160 0.000 2.797 398 F HA 0.181 4.709 4.527 0.000 0.000 0.302 398 F C 0.700 175.990 175.800 -0.850 0.000 1.130 398 F CA 0.015 57.726 58.000 -0.483 0.000 1.387 398 F CB 0.308 38.937 39.000 -0.617 0.000 1.107 398 F HN -0.050 nan 8.300 nan 0.000 0.577 399 Y N -1.954 118.491 120.300 0.242 0.000 2.844 399 Y HA 0.168 4.718 4.550 0.000 0.000 0.256 399 Y C 0.823 176.841 175.900 0.196 0.000 1.134 399 Y CA -0.783 57.482 58.100 0.275 0.000 1.209 399 Y CB 0.131 38.896 38.460 0.509 0.000 1.418 399 Y HN -0.389 nan 8.280 nan 0.000 0.459 400 K N 1.201 121.786 120.400 0.307 0.000 3.071 400 K HA -0.119 4.201 4.320 0.000 0.000 0.265 400 K C 0.160 176.978 176.600 0.363 0.000 1.060 400 K CA 1.126 57.560 56.287 0.245 0.000 0.767 400 K CB -1.790 30.792 32.500 0.136 0.000 1.241 400 K HN 0.842 nan 8.250 nan 0.000 0.486 401 G N -2.266 106.779 108.800 0.409 0.000 2.369 401 G HA2 0.080 4.040 3.960 0.000 0.000 0.295 401 G HA3 0.080 4.040 3.960 0.000 0.000 0.295 401 G C 0.460 175.438 174.900 0.129 0.000 1.298 401 G CA 0.500 45.760 45.100 0.266 0.000 0.940 401 G HN 0.228 nan 8.290 nan 0.000 0.536 402 T N -2.613 111.845 114.554 -0.159 0.000 3.056 402 T HA 0.630 4.980 4.350 0.000 0.000 0.241 402 T C 0.504 175.073 174.700 -0.219 0.000 1.006 402 T CA 1.645 63.508 62.100 -0.394 0.000 1.115 402 T CB 0.095 68.636 68.868 -0.545 0.000 0.939 402 T HN 1.916 nan 8.240 nan 0.000 0.462 403 F N 0.732 120.632 119.950 -0.083 0.000 2.744 403 F HA 0.707 5.234 4.527 0.000 0.000 0.311 403 F C -0.503 175.305 175.800 0.013 0.000 1.144 403 F CA -1.663 56.293 58.000 -0.072 0.000 0.938 403 F CB 0.635 39.519 39.000 -0.193 0.000 1.292 403 F HN 0.135 nan 8.300 nan 0.000 0.444 404 S N 1.254 117.149 115.700 0.324 0.000 2.593 404 S HA 0.574 5.044 4.470 0.000 0.000 0.269 404 S C -0.718 174.116 174.600 0.390 0.000 1.334 404 S CA -0.295 58.116 58.200 0.353 0.000 1.015 404 S CB 1.265 64.761 63.200 0.493 0.000 0.912 404 S HN 0.885 nan 8.310 nan 0.000 0.541 405 N N 0.454 119.295 118.700 0.235 0.000 2.310 405 N HA 0.246 4.986 4.740 0.000 0.000 0.292 405 N C -1.849 173.479 175.510 -0.304 0.000 1.049 405 N CA -0.599 52.518 53.050 0.112 0.000 0.849 405 N CB 1.062 39.593 38.487 0.074 0.000 1.532 405 N HN 0.807 nan 8.380 nan 0.000 0.479 406 W N 7.062 128.119 121.300 -0.406 0.000 2.437 406 W HA 0.387 5.047 4.660 0.000 0.000 0.312 406 W C -2.519 173.678 176.519 -0.537 0.000 1.242 406 W CA -1.773 55.138 57.345 -0.724 0.000 1.340 406 W CB 0.305 29.632 29.460 -0.221 0.000 1.327 406 W HN 0.425 nan 8.180 nan 0.000 0.476 407 P HA 0.079 nan 4.420 nan 0.000 0.282 407 P C -0.599 176.730 177.300 0.048 0.000 1.259 407 P CA -0.436 62.597 63.100 -0.112 0.000 0.826 407 P CB 2.133 33.720 31.700 -0.188 0.000 1.064 408 V N 1.297 121.203 119.914 -0.013 0.000 2.585 408 V HA 0.412 4.532 4.120 0.000 0.000 0.296 408 V C 1.214 177.327 176.094 0.033 0.000 1.035 408 V CA 1.901 64.203 62.300 0.004 0.000 1.084 408 V CB -0.533 31.267 31.823 -0.039 0.000 0.953 408 V HN 1.022 nan 8.190 nan 0.000 0.483 409 G N 4.383 113.229 108.800 0.077 0.000 2.380 409 G HA2 -0.160 3.800 3.960 0.000 0.000 0.197 409 G HA3 -0.160 3.800 3.960 0.000 0.000 0.197 409 G C -0.053 174.932 174.900 0.140 0.000 1.001 409 G CA -0.039 45.109 45.100 0.081 0.000 0.668 409 G HN 1.201 nan 8.290 nan 0.000 0.483 410 V N 4.149 124.196 119.914 0.221 0.000 2.383 410 V HA 0.461 4.581 4.120 0.000 0.000 0.275 410 V C 0.534 176.924 176.094 0.493 0.000 1.036 410 V CA -0.313 62.163 62.300 0.294 0.000 0.889 410 V CB 1.074 33.004 31.823 0.178 0.000 0.985 410 V HN 0.614 nan 8.190 nan 0.000 0.459 411 N N 4.920 123.843 118.700 0.371 0.000 2.491 411 N HA 0.341 5.081 4.740 0.000 0.000 0.279 411 N C 1.070 176.871 175.510 0.485 0.000 1.236 411 N CA -0.898 52.384 53.050 0.388 0.000 0.982 411 N CB 1.651 40.297 38.487 0.265 0.000 1.194 411 N HN 0.450 nan 8.380 nan 0.000 0.582 412 R N -0.606 120.147 120.500 0.423 0.000 2.096 412 R HA -0.260 4.080 4.340 0.000 0.000 0.240 412 R C 1.884 178.425 176.300 0.403 0.000 1.139 412 R CA 1.621 57.983 56.100 0.437 0.000 0.952 412 R CB -0.602 29.868 30.300 0.283 0.000 0.854 412 R HN 0.734 nan 8.270 nan 0.000 0.436 413 Y N 1.534 121.960 120.300 0.210 0.000 2.200 413 Y HA -0.133 4.417 4.550 0.000 0.000 0.290 413 Y C 1.774 177.762 175.900 0.147 0.000 1.137 413 Y CA 1.964 60.154 58.100 0.149 0.000 1.163 413 Y CB -0.100 38.416 38.460 0.094 0.000 0.988 413 Y HN 0.207 nan 8.280 nan 0.000 0.518 414 E N -1.407 118.866 120.200 0.121 0.000 2.110 414 E HA -0.273 4.077 4.350 0.000 0.000 0.193 414 E C 1.841 178.429 176.600 -0.021 0.000 0.988 414 E CA 1.437 57.846 56.400 0.014 0.000 0.804 414 E CB -0.461 29.318 29.700 0.132 0.000 0.745 414 E HN 0.596 nan 8.360 nan 0.000 0.458 415 Y N 1.627 121.882 120.300 -0.074 0.000 2.242 415 Y HA -0.195 4.355 4.550 0.000 0.000 0.291 415 Y C 1.861 177.634 175.900 -0.212 0.000 1.137 415 Y CA 1.750 59.686 58.100 -0.273 0.000 1.181 415 Y CB -0.083 38.159 38.460 -0.364 0.000 0.989 415 Y HN -0.022 nan 8.280 nan 0.000 0.527 416 D N -0.526 119.857 120.400 -0.028 0.000 2.178 416 D HA -0.189 4.451 4.640 0.000 0.000 0.201 416 D C 1.897 178.073 176.300 -0.206 0.000 0.980 416 D CA 1.467 55.429 54.000 -0.063 0.000 0.842 416 D CB -0.063 40.821 40.800 0.141 0.000 0.948 416 D HN 0.507 nan 8.370 nan 0.000 0.472 417 Q N -0.692 118.928 119.800 -0.300 0.000 2.224 417 Q HA -0.096 4.244 4.340 0.000 0.000 0.203 417 Q C 2.018 177.929 176.000 -0.149 0.000 0.970 417 Q CA 0.481 56.183 55.803 -0.169 0.000 0.865 417 Q CB -0.051 28.610 28.738 -0.128 0.000 0.922 417 Q HN 0.310 nan 8.270 nan 0.000 0.445 418 L N 1.081 122.089 121.223 -0.358 0.000 2.083 418 L HA -0.176 4.164 4.340 0.000 0.000 0.209 418 L C 1.914 178.426 176.870 -0.597 0.000 1.083 418 L CA 1.792 56.319 54.840 -0.522 0.000 0.752 418 L CB -0.155 41.490 42.059 -0.689 0.000 0.899 418 L HN 0.022 nan 8.230 nan 0.000 0.433 419 R N 0.100 120.262 120.500 -0.563 0.000 2.161 419 R HA 0.253 4.593 4.340 0.000 0.000 0.213 419 R C 1.095 177.156 176.300 -0.398 0.000 1.055 419 R CA 0.476 56.304 56.100 -0.453 0.000 0.996 419 R CB -0.577 29.502 30.300 -0.368 0.000 0.901 419 R HN 0.403 nan 8.270 nan 0.000 0.456 420 A N 3.616 126.177 122.820 -0.431 0.000 2.561 420 A HA 0.115 4.435 4.320 0.000 0.000 0.234 420 A C -2.077 175.322 177.584 -0.309 0.000 1.055 420 A CA -0.895 50.763 52.037 -0.633 0.000 0.756 420 A CB -0.194 18.638 19.000 -0.280 0.000 0.986 420 A HN 0.001 nan 8.150 nan 0.000 0.505 421 P HA 0.372 nan 4.420 nan 0.000 0.274 421 P C -0.842 176.326 177.300 -0.220 0.000 1.246 421 P CA -0.281 62.570 63.100 -0.414 0.000 0.795 421 P CB 0.828 31.973 31.700 -0.925 0.000 1.006 422 V N 1.282 121.033 119.914 -0.271 0.000 2.447 422 V HA 0.520 4.640 4.120 0.000 0.000 0.292 422 V C 0.939 176.864 176.094 -0.281 0.000 1.021 422 V CA 0.454 62.646 62.300 -0.179 0.000 0.850 422 V CB 0.412 32.077 31.823 -0.263 0.000 1.005 422 V HN 1.045 nan 8.190 nan 0.000 0.426 423 G N 5.884 114.622 108.800 -0.103 0.000 2.611 423 G HA2 -0.326 3.634 3.960 0.000 0.000 0.301 423 G HA3 -0.326 3.634 3.960 0.000 0.000 0.301 423 G C 0.689 175.520 174.900 -0.114 0.000 1.233 423 G CA 0.823 45.916 45.100 -0.012 0.000 0.993 423 G HN 0.686 nan 8.290 nan 0.000 0.553 424 R N -0.386 120.122 120.500 0.014 0.000 2.319 424 R HA 0.327 4.667 4.340 0.000 0.000 0.204 424 R C 0.258 176.571 176.300 0.022 0.000 0.954 424 R CA 0.169 56.373 56.100 0.175 0.000 1.066 424 R CB 0.223 30.644 30.300 0.202 0.000 0.991 424 R HN 0.222 nan 8.270 nan 0.000 0.486 425 V N 1.810 121.520 119.914 -0.340 0.000 2.364 425 V HA 0.185 4.305 4.120 0.000 0.000 0.272 425 V C -0.540 175.095 176.094 -0.766 0.000 1.036 425 V CA -0.527 61.492 62.300 -0.468 0.000 0.880 425 V CB 0.351 31.788 31.823 -0.644 0.000 0.991 425 V HN 0.059 nan 8.190 nan 0.000 0.460 426 Y N 4.230 124.232 120.300 -0.497 0.000 2.453 426 Y HA 0.696 5.246 4.550 0.000 0.000 0.326 426 Y C -0.158 175.290 175.900 -0.753 0.000 1.186 426 Y CA -0.765 57.049 58.100 -0.477 0.000 1.200 426 Y CB 1.518 39.809 38.460 -0.282 0.000 1.247 426 Y HN 0.479 nan 8.280 nan 0.000 0.482 427 F N -0.108 119.806 119.950 -0.061 0.000 2.561 427 F HA 0.678 5.205 4.527 0.000 0.000 0.321 427 F C 0.298 176.022 175.800 -0.125 0.000 1.065 427 F CA -0.594 57.344 58.000 -0.103 0.000 0.934 427 F CB 2.409 41.294 39.000 -0.191 0.000 1.215 427 F HN 0.365 nan 8.300 nan 0.000 0.471 428 T N 0.092 114.672 114.554 0.043 0.000 2.731 428 T HA 0.787 5.137 4.350 0.000 0.000 0.300 428 T C -0.829 173.775 174.700 -0.161 0.000 1.283 428 T CA -0.010 62.042 62.100 -0.079 0.000 1.005 428 T CB 1.570 70.402 68.868 -0.060 0.000 1.420 428 T HN 1.407 nan 8.240 nan 0.000 0.503 429 G N 1.080 109.769 108.800 -0.185 0.000 2.362 429 G HA2 0.130 4.090 3.960 0.000 0.000 0.656 429 G HA3 0.130 4.090 3.960 0.000 0.000 0.656 429 G C 0.185 174.948 174.900 -0.228 0.000 1.376 429 G CA 0.684 45.694 45.100 -0.150 0.000 0.971 429 G HN 0.998 nan 8.290 nan 0.000 0.636 430 E N -0.470 119.727 120.200 -0.006 0.000 2.160 430 E HA -0.230 4.121 4.350 0.000 0.000 0.195 430 E C 1.708 178.317 176.600 0.014 0.000 0.991 430 E CA 2.491 58.916 56.400 0.043 0.000 0.810 430 E CB -0.636 29.121 29.700 0.094 0.000 0.742 430 E HN 1.061 nan 8.360 nan 0.000 0.466 431 H N -0.407 118.661 119.070 -0.004 0.000 2.559 431 H HA 0.119 4.675 4.556 0.000 0.000 0.273 431 H C 1.264 176.443 175.328 -0.249 0.000 1.000 431 H CA 1.212 57.193 56.048 -0.112 0.000 1.195 431 H CB -0.269 29.389 29.762 -0.173 0.000 1.368 431 H HN 0.327 nan 8.280 nan 0.000 0.592 432 T N -2.844 111.360 114.554 -0.583 0.000 3.092 432 T HA 0.113 4.463 4.350 0.000 0.000 0.258 432 T C 0.761 175.367 174.700 -0.155 0.000 1.031 432 T CA -0.185 61.621 62.100 -0.489 0.000 0.925 432 T CB -0.082 68.522 68.868 -0.440 0.000 1.036 432 T HN 0.247 nan 8.240 nan 0.000 0.544 433 S N 1.126 116.841 115.700 0.024 0.000 2.488 433 S HA 0.145 4.615 4.470 0.000 0.000 0.278 433 S C 1.263 175.988 174.600 0.210 0.000 1.259 433 S CA -0.409 57.882 58.200 0.151 0.000 1.061 433 S CB 0.566 63.909 63.200 0.239 0.000 0.910 433 S HN 0.493 nan 8.310 nan 0.000 0.491 434 E N 3.102 123.358 120.200 0.094 0.000 2.070 434 E HA -0.173 4.177 4.350 0.000 0.000 0.197 434 E C 0.732 177.059 176.600 -0.455 0.000 1.004 434 E CA 1.491 57.823 56.400 -0.112 0.000 0.805 434 E CB -0.051 29.463 29.700 -0.310 0.000 0.744 434 E HN 0.782 nan 8.360 nan 0.000 0.451 435 H N -2.805 116.177 119.070 -0.146 0.000 3.058 435 H HA 0.117 4.673 4.556 0.000 0.000 0.266 435 H C -0.164 174.805 175.328 -0.598 0.000 1.135 435 H CA 0.143 55.913 56.048 -0.463 0.000 1.174 435 H CB 0.611 29.884 29.762 -0.816 0.000 1.581 435 H HN 0.190 nan 8.280 nan 0.000 0.553 436 Y N 1.661 122.136 120.300 0.292 0.000 2.634 436 Y HA 0.104 4.654 4.550 0.000 0.000 0.292 436 Y C 0.445 176.529 175.900 0.307 0.000 0.996 436 Y CA -1.154 57.139 58.100 0.323 0.000 1.165 436 Y CB -0.127 38.553 38.460 0.366 0.000 1.194 436 Y HN 0.146 nan 8.280 nan 0.000 0.585 437 N N -0.105 118.808 118.700 0.355 0.000 2.441 437 N HA 0.338 5.078 4.740 0.000 0.000 0.251 437 N C 1.268 176.880 175.510 0.170 0.000 1.242 437 N CA 0.966 54.183 53.050 0.278 0.000 0.898 437 N CB 0.842 39.520 38.487 0.318 0.000 1.100 437 N HN 0.441 nan 8.380 nan 0.000 0.443 438 G N -0.834 107.962 108.800 -0.007 0.000 2.175 438 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 438 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 438 G C -0.635 173.635 174.900 -1.050 0.000 0.982 438 G CA 0.316 45.163 45.100 -0.422 0.000 0.641 438 G HN 0.645 nan 8.290 nan 0.000 0.527 439 Y N -1.675 118.502 120.300 -0.204 0.000 2.602 439 Y HA 0.572 5.122 4.550 0.000 0.000 0.342 439 Y C 1.464 177.194 175.900 -0.282 0.000 1.029 439 Y CA -0.553 57.325 58.100 -0.369 0.000 1.080 439 Y CB 1.630 39.611 38.460 -0.799 0.000 1.284 439 Y HN -0.096 nan 8.280 nan 0.000 0.485 440 V N 1.040 120.932 119.914 -0.037 0.000 2.358 440 V HA -0.282 3.838 4.120 0.000 0.000 0.246 440 V C 2.258 178.400 176.094 0.080 0.000 1.047 440 V CA 2.411 64.710 62.300 -0.002 0.000 1.035 440 V CB -0.777 31.029 31.823 -0.028 0.000 0.658 440 V HN 0.919 nan 8.190 nan 0.000 0.452 441 H N -0.078 119.087 119.070 0.159 0.000 2.423 441 H HA -0.009 4.548 4.556 0.000 0.000 0.297 441 H C 2.341 177.807 175.328 0.229 0.000 1.075 441 H CA 1.533 57.653 56.048 0.121 0.000 1.342 441 H CB -0.715 28.995 29.762 -0.086 0.000 1.395 441 H HN 0.394 nan 8.280 nan 0.000 0.530 442 G N 1.038 109.837 108.800 -0.002 0.000 2.402 442 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 442 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 442 G C 2.033 177.042 174.900 0.181 0.000 1.162 442 G CA 1.397 46.644 45.100 0.246 0.000 0.777 442 G HN 0.621 nan 8.290 nan 0.000 0.539 443 A N 0.104 122.995 122.820 0.118 0.000 1.877 443 A HA -0.044 4.276 4.320 0.000 0.000 0.216 443 A C 2.199 179.856 177.584 0.121 0.000 1.186 443 A CA 1.752 53.846 52.037 0.095 0.000 0.620 443 A CB -0.767 18.283 19.000 0.083 0.000 0.822 443 A HN 0.478 nan 8.150 nan 0.000 0.443 444 Y N 0.595 120.932 120.300 0.062 0.000 2.097 444 Y HA -0.207 4.343 4.550 0.000 0.000 0.282 444 Y C 1.992 177.938 175.900 0.077 0.000 1.152 444 Y CA 2.078 60.218 58.100 0.067 0.000 1.136 444 Y CB -0.409 38.099 38.460 0.081 0.000 0.975 444 Y HN 0.207 nan 8.280 nan 0.000 0.498 445 L N -0.072 121.228 121.223 0.129 0.000 2.083 445 L HA -0.220 4.120 4.340 0.000 0.000 0.209 445 L C 2.789 179.664 176.870 0.009 0.000 1.083 445 L CA 1.584 56.461 54.840 0.061 0.000 0.752 445 L CB -0.929 41.318 42.059 0.312 0.000 0.899 445 L HN 0.419 nan 8.230 nan 0.000 0.433 446 S N -0.036 115.694 115.700 0.050 0.000 2.382 446 S HA -0.139 4.331 4.470 0.000 0.000 0.228 446 S C 2.095 176.657 174.600 -0.064 0.000 1.027 446 S CA 1.064 59.267 58.200 0.004 0.000 0.991 446 S CB -1.036 62.153 63.200 -0.018 0.000 0.823 446 S HN 0.433 nan 8.310 nan 0.000 0.469 447 G N 1.825 110.562 108.800 -0.105 0.000 2.418 447 G HA2 -0.074 3.886 3.960 0.000 0.000 0.217 447 G HA3 -0.074 3.886 3.960 0.000 0.000 0.217 447 G C 1.431 176.229 174.900 -0.170 0.000 1.158 447 G CA 0.992 46.010 45.100 -0.137 0.000 0.771 447 G HN 0.578 nan 8.290 nan 0.000 0.545 448 I N 0.935 121.373 120.570 -0.220 0.000 2.252 448 I HA -0.111 4.059 4.170 0.000 0.000 0.245 448 I C 2.252 178.302 176.117 -0.112 0.000 1.102 448 I CA 1.099 62.283 61.300 -0.193 0.000 1.385 448 I CB -0.149 37.721 38.000 -0.216 0.000 1.064 448 I HN 0.038 nan 8.210 nan 0.000 0.414 449 D N 0.497 120.858 120.400 -0.064 0.000 2.117 449 D HA -0.131 4.509 4.640 0.000 0.000 0.197 449 D C 2.395 178.678 176.300 -0.028 0.000 0.987 449 D CA 1.392 55.384 54.000 -0.014 0.000 0.829 449 D CB -0.196 40.627 40.800 0.038 0.000 0.961 449 D HN 0.195 nan 8.370 nan 0.000 0.460 450 S N 0.586 116.252 115.700 -0.056 0.000 2.383 450 S HA -0.067 4.403 4.470 0.000 0.000 0.227 450 S C 2.136 176.635 174.600 -0.168 0.000 1.026 450 S CA 0.909 59.068 58.200 -0.068 0.000 0.981 450 S CB -0.186 62.975 63.200 -0.064 0.000 0.818 450 S HN 0.355 nan 8.310 nan 0.000 0.472 451 A N 1.805 124.518 122.820 -0.178 0.000 1.883 451 A HA -0.202 4.118 4.320 0.000 0.000 0.217 451 A C 2.016 179.463 177.584 -0.228 0.000 1.186 451 A CA 1.692 53.590 52.037 -0.232 0.000 0.624 451 A CB -0.632 18.249 19.000 -0.199 0.000 0.822 451 A HN 0.544 nan 8.150 nan 0.000 0.444 452 E N -0.394 119.716 120.200 -0.150 0.000 2.110 452 E HA -0.143 4.207 4.350 0.000 0.000 0.193 452 E C 1.904 178.438 176.600 -0.109 0.000 0.988 452 E CA 1.209 57.542 56.400 -0.111 0.000 0.804 452 E CB -0.276 29.390 29.700 -0.057 0.000 0.745 452 E HN 0.717 nan 8.360 nan 0.000 0.458 453 I N 0.974 121.493 120.570 -0.085 0.000 2.226 453 I HA -0.232 3.938 4.170 0.000 0.000 0.245 453 I C 2.479 178.478 176.117 -0.196 0.000 1.100 453 I CA 0.521 61.807 61.300 -0.024 0.000 1.374 453 I CB -0.326 37.735 38.000 0.102 0.000 1.057 453 I HN 0.211 nan 8.210 nan 0.000 0.413 454 L N 1.480 122.396 121.223 -0.512 0.000 2.046 454 L HA -0.138 4.202 4.340 0.000 0.000 0.208 454 L C 2.258 178.811 176.870 -0.528 0.000 1.077 454 L CA 1.771 56.066 54.840 -0.909 0.000 0.747 454 L CB -0.900 40.383 42.059 -1.293 0.000 0.896 454 L HN 0.138 nan 8.230 nan 0.000 0.432 455 I N 0.418 120.785 120.570 -0.340 0.000 2.208 455 I HA -0.308 3.862 4.170 0.000 0.000 0.245 455 I C 2.116 178.144 176.117 -0.149 0.000 1.097 455 I CA 1.280 62.449 61.300 -0.220 0.000 1.363 455 I CB -0.598 37.308 38.000 -0.156 0.000 1.051 455 I HN 0.391 nan 8.210 nan 0.000 0.413 456 N N 0.226 118.858 118.700 -0.114 0.000 2.166 456 N HA -0.189 4.551 4.740 0.000 0.000 0.186 456 N C 1.921 177.408 175.510 -0.039 0.000 1.019 456 N CA 1.418 54.438 53.050 -0.051 0.000 0.856 456 N CB -0.731 37.748 38.487 -0.012 0.000 0.993 456 N HN 0.450 nan 8.380 nan 0.000 0.426 457 c N 0.882 119.440 118.600 -0.069 0.000 2.462 457 c HA 0.148 4.718 4.570 0.000 0.000 0.278 457 c C 2.793 176.872 174.090 -0.018 0.000 1.253 457 c CA 1.182 57.503 56.329 -0.014 0.000 1.713 457 c CB -1.169 41.350 42.510 0.014 0.000 2.049 457 c HN 0.452 nan 8.230 nan 0.000 0.477 458 A N -0.445 122.292 122.820 -0.137 0.000 1.877 458 A HA -0.197 4.123 4.320 0.000 0.000 0.216 458 A C 2.129 179.718 177.584 0.009 0.000 1.186 458 A CA 1.972 53.992 52.037 -0.029 0.000 0.620 458 A CB -0.677 18.245 19.000 -0.130 0.000 0.822 458 A HN 0.839 nan 8.150 nan 0.000 0.443 459 Q N -1.272 118.508 119.800 -0.034 0.000 2.259 459 Q HA 0.075 4.415 4.340 0.000 0.000 0.201 459 Q C 1.209 177.209 176.000 0.000 0.000 0.938 459 Q CA 0.871 56.667 55.803 -0.011 0.000 0.872 459 Q CB 0.161 28.882 28.738 -0.027 0.000 0.971 459 Q HN 0.565 nan 8.270 nan 0.000 0.494 460 K N 0.460 120.857 120.400 -0.004 0.000 2.372 460 K HA 0.136 4.456 4.320 0.000 0.000 0.200 460 K C -0.340 176.272 176.600 0.020 0.000 1.022 460 K CA -0.022 56.269 56.287 0.006 0.000 1.125 460 K CB 0.547 33.047 32.500 0.001 0.000 0.855 460 K HN -0.003 nan 8.250 nan 0.000 0.524 461 K N 0.674 121.091 120.400 0.029 0.000 3.016 461 K HA -0.197 4.123 4.320 0.000 0.000 0.262 461 K C -0.520 176.108 176.600 0.046 0.000 1.043 461 K CA 0.802 57.117 56.287 0.046 0.000 0.761 461 K CB -1.396 31.131 32.500 0.045 0.000 1.230 461 K HN 0.293 nan 8.250 nan 0.000 0.485 462 M N 0.444 120.068 119.600 0.040 0.000 2.152 462 M HA 0.120 4.600 4.480 0.000 0.000 0.354 462 M C 0.596 176.937 176.300 0.068 0.000 1.173 462 M CA -0.387 54.941 55.300 0.047 0.000 1.110 462 M CB 0.849 33.471 32.600 0.035 0.000 1.366 462 M HN 0.167 nan 8.290 nan 0.000 0.415 463 c N 1.045 119.696 118.600 0.085 0.000 3.070 463 c HA 0.174 4.744 4.570 0.000 0.000 0.280 463 c C 0.970 175.134 174.090 0.123 0.000 1.264 463 c CA -0.263 56.135 56.329 0.116 0.000 1.690 463 c CB -0.485 42.100 42.510 0.125 0.000 2.049 463 c HN 0.664 nan 8.230 nan 0.000 0.636 464 K N 1.083 121.545 120.400 0.105 0.000 2.322 464 K HA 0.293 4.613 4.320 0.000 0.000 0.283 464 K C -0.853 175.840 176.600 0.154 0.000 1.042 464 K CA 0.066 56.418 56.287 0.108 0.000 0.958 464 K CB 0.720 33.263 32.500 0.072 0.000 0.984 464 K HN 0.336 nan 8.250 nan 0.000 0.473 465 Y N 3.961 124.273 120.300 0.019 0.000 2.352 465 Y HA 0.148 4.698 4.550 0.000 0.000 0.339 465 Y C -0.059 175.873 175.900 0.053 0.000 0.992 465 Y CA -0.399 57.697 58.100 -0.006 0.000 1.100 465 Y CB 0.492 38.884 38.460 -0.113 0.000 1.192 465 Y HN 0.732 nan 8.280 nan 0.000 0.458 466 H N 0.000 118.737 119.070 -0.555 0.000 2.539 466 H HA 0.000 4.556 4.556 0.000 0.000 0.296 466 H CA 0.000 55.813 56.048 -0.391 0.000 1.023 466 H CB 0.000 29.463 29.762 -0.498 0.000 1.292 466 H HN 0.000 nan 8.280 nan 0.000 0.496