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 2zh4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEEILEKA LELVIPDEEE VRKGREAEEE LRRRLDELGV EYVFVGSYAR DATA SEQUENCE NTWLKGSLEI DVFLLFPEEF SKEELRERGL EIGKAVLDSY EIRYAEHPYV DATA SEQUENCE HGVVKGVEVD VVPCYKLKEP KNIKSAVDRT PFHHKWLEGR IKGKENEVRL DATA SEQUENCE LKGFLKANGI YGAEYKVRGF SGYLCELLIV FYGSFLETVK NARRWTRRTV DATA SEQUENCE IDVAKGEVRK GEEFFVVDPV DEKRNVAANL SLDNLARFVH LCREFMEAPS DATA SEQUENCE LGFFKPKHPL EIEPERLRKI VEERGTAVFA VKFRKPDIVD DNLYPQLERA DATA SEQUENCE SRKIFEFLER ENFMPLRSAF KASEEFCYLL FECQIKEISR VFRRMGPQFE DATA SEQUENCE DERNVKKFLS RNRAFRPFIE NGRWWAFEMR KFTTPEEGVR SYASTHWHTL DATA SEQUENCE GKNVGESIRE YFEIISGEKL FKEPVTAELC EMMGVKD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.021 0.000 1.302 2 K N 0.659 121.033 120.400 -0.043 0.000 2.211 2 K HA 0.576 4.885 4.320 -0.018 0.000 0.237 2 K C 1.200 177.767 176.600 -0.054 0.000 1.002 2 K CA -0.353 55.898 56.287 -0.060 0.000 0.885 2 K CB 2.630 35.101 32.500 -0.047 0.000 1.136 2 K HN -0.154 nan 8.250 nan 0.000 0.448 3 V N 1.887 121.760 119.914 -0.070 0.000 2.250 3 V HA -0.342 3.767 4.120 -0.018 0.000 0.253 3 V C 1.958 178.078 176.094 0.045 0.000 1.065 3 V CA 2.296 64.588 62.300 -0.013 0.000 1.039 3 V CB -0.785 31.039 31.823 0.002 0.000 0.647 3 V HN 0.852 nan 8.190 nan 0.000 0.446 4 E N -0.120 120.089 120.200 0.015 0.000 2.049 4 E HA -0.240 4.099 4.350 -0.018 0.000 0.198 4 E C 2.271 178.865 176.600 -0.011 0.000 1.007 4 E CA 1.522 57.926 56.400 0.006 0.000 0.809 4 E CB -0.287 29.410 29.700 -0.006 0.000 0.749 4 E HN 0.692 nan 8.360 nan 0.000 0.450 5 E N 0.995 121.184 120.200 -0.017 0.000 2.021 5 E HA -0.217 4.122 4.350 -0.018 0.000 0.200 5 E C 2.279 178.859 176.600 -0.034 0.000 1.015 5 E CA 1.006 57.390 56.400 -0.026 0.000 0.824 5 E CB -0.433 29.253 29.700 -0.024 0.000 0.762 5 E HN 0.269 nan 8.360 nan 0.000 0.454 6 I N 1.442 122.003 120.570 -0.015 0.000 2.145 6 I HA -0.276 3.883 4.170 -0.018 0.000 0.244 6 I C 2.714 178.771 176.117 -0.100 0.000 1.075 6 I CA 1.245 62.540 61.300 -0.009 0.000 1.332 6 I CB -1.233 36.819 38.000 0.087 0.000 1.033 6 I HN 0.104 nan 8.210 nan 0.000 0.410 7 L N 0.012 121.191 121.223 -0.074 0.000 2.127 7 L HA -0.189 4.140 4.340 -0.018 0.000 0.211 7 L C 2.570 179.307 176.870 -0.222 0.000 1.089 7 L CA 1.135 55.855 54.840 -0.200 0.000 0.757 7 L CB -0.554 41.465 42.059 -0.067 0.000 0.899 7 L HN 0.282 nan 8.230 nan 0.000 0.434 8 E N 0.557 120.677 120.200 -0.135 0.000 2.152 8 E HA -0.150 4.189 4.350 -0.018 0.000 0.192 8 E C 2.060 178.580 176.600 -0.133 0.000 0.983 8 E CA 0.962 57.291 56.400 -0.117 0.000 0.818 8 E CB 0.108 29.764 29.700 -0.073 0.000 0.758 8 E HN 0.497 nan 8.360 nan 0.000 0.467 9 K N 0.174 120.492 120.400 -0.137 0.000 2.296 9 K HA 0.075 4.384 4.320 -0.018 0.000 0.200 9 K C 1.938 178.426 176.600 -0.187 0.000 1.048 9 K CA 0.705 56.917 56.287 -0.125 0.000 0.966 9 K CB 0.172 32.620 32.500 -0.086 0.000 0.754 9 K HN -0.025 nan 8.250 nan 0.000 0.466 10 A N 1.278 123.903 122.820 -0.325 0.000 1.970 10 A HA -0.010 4.299 4.320 -0.018 0.000 0.216 10 A C 1.977 179.348 177.584 -0.354 0.000 1.170 10 A CA 0.662 52.395 52.037 -0.507 0.000 0.645 10 A CB -0.447 17.830 19.000 -1.205 0.000 0.816 10 A HN 0.135 nan 8.150 nan 0.000 0.447 11 L N -0.544 120.511 121.223 -0.279 0.000 2.189 11 L HA -0.231 4.098 4.340 -0.018 0.000 0.214 11 L C 2.421 179.207 176.870 -0.139 0.000 1.097 11 L CA 1.737 56.461 54.840 -0.195 0.000 0.764 11 L CB -0.427 41.541 42.059 -0.153 0.000 0.900 11 L HN 0.541 nan 8.230 nan 0.000 0.436 12 E N 0.282 120.407 120.200 -0.124 0.000 2.285 12 E HA -0.119 4.220 4.350 -0.018 0.000 0.194 12 E C 2.094 178.660 176.600 -0.056 0.000 0.997 12 E CA 0.468 56.821 56.400 -0.078 0.000 0.845 12 E CB 0.175 29.836 29.700 -0.065 0.000 0.782 12 E HN 0.520 nan 8.360 nan 0.000 0.491 13 L N -0.203 120.979 121.223 -0.068 0.000 2.477 13 L HA 0.051 4.380 4.340 -0.018 0.000 0.220 13 L C 1.821 178.687 176.870 -0.008 0.000 1.106 13 L CA 0.110 54.937 54.840 -0.020 0.000 0.851 13 L CB 0.591 42.652 42.059 0.004 0.000 0.994 13 L HN 0.128 nan 8.230 nan 0.000 0.462 14 V N -4.460 115.426 119.914 -0.047 0.000 3.604 14 V HA 0.314 4.423 4.120 -0.018 0.000 0.277 14 V C 0.827 176.869 176.094 -0.086 0.000 1.399 14 V CA -0.209 62.063 62.300 -0.046 0.000 1.034 14 V CB 0.273 32.064 31.823 -0.052 0.000 0.824 14 V HN 0.057 nan 8.190 nan 0.000 0.439 15 I N 2.965 123.476 120.570 -0.099 0.000 2.315 15 I HA 0.449 4.608 4.170 -0.018 0.000 0.291 15 I C -2.433 173.626 176.117 -0.096 0.000 1.006 15 I CA -2.098 59.119 61.300 -0.137 0.000 1.265 15 I CB 1.733 39.654 38.000 -0.130 0.000 1.387 15 I HN 0.058 nan 8.210 nan 0.000 0.475 16 P HA -0.001 nan 4.420 nan 0.000 0.266 16 P C -1.148 176.161 177.300 0.015 0.000 1.195 16 P CA -0.160 62.947 63.100 0.012 0.000 0.768 16 P CB 0.313 32.060 31.700 0.077 0.000 0.838 17 D N 0.840 121.275 120.400 0.059 0.000 2.354 17 D HA 0.046 4.675 4.640 -0.018 0.000 0.247 17 D C 0.924 177.266 176.300 0.070 0.000 1.138 17 D CA -0.469 53.557 54.000 0.044 0.000 0.958 17 D CB 0.228 41.053 40.800 0.041 0.000 1.144 17 D HN 0.357 nan 8.370 nan 0.000 0.458 18 E N -0.314 119.917 120.200 0.051 0.000 2.187 18 E HA -0.246 4.094 4.350 -0.018 0.000 0.199 18 E C 1.563 178.213 176.600 0.085 0.000 1.004 18 E CA 1.433 57.870 56.400 0.063 0.000 0.813 18 E CB 0.091 29.816 29.700 0.041 0.000 0.736 18 E HN 0.543 nan 8.360 nan 0.000 0.468 19 E N 0.631 120.879 120.200 0.079 0.000 2.107 19 E HA -0.208 4.131 4.350 -0.018 0.000 0.191 19 E C 1.826 178.492 176.600 0.110 0.000 0.982 19 E CA 0.923 57.371 56.400 0.080 0.000 0.809 19 E CB -0.344 29.394 29.700 0.064 0.000 0.756 19 E HN 0.408 nan 8.360 nan 0.000 0.459 20 E N 1.180 121.467 120.200 0.145 0.000 2.152 20 E HA -0.084 4.255 4.350 -0.018 0.000 0.192 20 E C 2.084 178.858 176.600 0.289 0.000 0.983 20 E CA 0.652 57.174 56.400 0.203 0.000 0.818 20 E CB 0.278 30.130 29.700 0.254 0.000 0.758 20 E HN 0.041 nan 8.360 nan 0.000 0.467 21 V N 1.198 121.294 119.914 0.303 0.000 2.379 21 V HA -0.199 3.910 4.120 -0.018 0.000 0.245 21 V C 2.575 178.824 176.094 0.259 0.000 1.044 21 V CA 2.030 64.554 62.300 0.374 0.000 1.036 21 V CB -0.548 31.422 31.823 0.245 0.000 0.664 21 V HN 0.279 nan 8.190 nan 0.000 0.453 22 R N 0.666 121.265 120.500 0.166 0.000 2.075 22 R HA -0.201 4.129 4.340 -0.018 0.000 0.232 22 R C 2.397 178.759 176.300 0.103 0.000 1.126 22 R CA 2.001 58.172 56.100 0.118 0.000 0.963 22 R CB -0.312 30.038 30.300 0.082 0.000 0.858 22 R HN 0.452 nan 8.270 nan 0.000 0.435 23 K N -0.497 119.960 120.400 0.095 0.000 2.152 23 K HA -0.114 4.195 4.320 -0.018 0.000 0.206 23 K C 1.807 178.428 176.600 0.035 0.000 1.048 23 K CA 1.701 58.022 56.287 0.056 0.000 0.933 23 K CB -0.278 32.253 32.500 0.051 0.000 0.721 23 K HN 0.390 nan 8.250 nan 0.000 0.447 24 G N 0.602 109.450 108.800 0.080 0.000 2.396 24 G HA2 -0.155 3.794 3.960 -0.018 0.000 0.214 24 G HA3 -0.155 3.794 3.960 -0.018 0.000 0.214 24 G C 1.468 176.438 174.900 0.116 0.000 1.166 24 G CA -0.042 45.081 45.100 0.039 0.000 0.793 24 G HN 0.122 nan 8.290 nan 0.000 0.533 25 R N 0.722 121.338 120.500 0.193 0.000 2.075 25 R HA 0.005 4.334 4.340 -0.018 0.000 0.232 25 R C 2.379 178.729 176.300 0.083 0.000 1.126 25 R CA 1.130 57.333 56.100 0.171 0.000 0.963 25 R CB -0.672 29.713 30.300 0.141 0.000 0.858 25 R HN 0.503 nan 8.270 nan 0.000 0.435 26 E N 0.291 120.525 120.200 0.057 0.000 2.110 26 E HA -0.111 4.228 4.350 -0.018 0.000 0.193 26 E C 1.915 178.519 176.600 0.006 0.000 0.988 26 E CA 1.165 57.582 56.400 0.028 0.000 0.804 26 E CB -0.041 29.674 29.700 0.025 0.000 0.745 26 E HN 0.314 nan 8.360 nan 0.000 0.458 27 A N 1.370 124.181 122.820 -0.015 0.000 1.897 27 A HA -0.223 4.086 4.320 -0.018 0.000 0.215 27 A C 2.076 179.635 177.584 -0.041 0.000 1.181 27 A CA 1.500 53.506 52.037 -0.053 0.000 0.620 27 A CB -0.374 18.559 19.000 -0.111 0.000 0.821 27 A HN 0.297 nan 8.150 nan 0.000 0.443 28 E N -0.088 120.098 120.200 -0.023 0.000 2.028 28 E HA -0.275 4.065 4.350 -0.018 0.000 0.191 28 E C 1.946 178.556 176.600 0.015 0.000 0.988 28 E CA 1.573 57.996 56.400 0.040 0.000 0.799 28 E CB -0.249 29.511 29.700 0.101 0.000 0.755 28 E HN 0.500 nan 8.360 nan 0.000 0.447 29 E N 1.039 121.242 120.200 0.005 0.000 2.058 29 E HA -0.273 4.066 4.350 -0.018 0.000 0.194 29 E C 1.926 178.529 176.600 0.005 0.000 0.997 29 E CA 1.954 58.352 56.400 -0.003 0.000 0.801 29 E CB -0.341 29.364 29.700 0.007 0.000 0.746 29 E HN 0.319 nan 8.360 nan 0.000 0.450 30 E N -0.294 119.908 120.200 0.004 0.000 2.160 30 E HA -0.163 4.176 4.350 -0.018 0.000 0.195 30 E C 1.862 178.459 176.600 -0.006 0.000 0.991 30 E CA 1.029 57.428 56.400 -0.002 0.000 0.810 30 E CB -0.506 29.188 29.700 -0.010 0.000 0.742 30 E HN 0.372 nan 8.360 nan 0.000 0.466 31 L N 0.414 121.639 121.223 0.004 0.000 2.156 31 L HA 0.070 4.399 4.340 -0.018 0.000 0.208 31 L C 2.189 179.052 176.870 -0.011 0.000 1.095 31 L CA 1.488 56.324 54.840 -0.006 0.000 0.770 31 L CB -0.317 41.760 42.059 0.031 0.000 0.914 31 L HN 0.031 nan 8.230 nan 0.000 0.439 32 R N -0.788 119.737 120.500 0.041 0.000 2.081 32 R HA -0.115 4.214 4.340 -0.018 0.000 0.235 32 R C 2.313 178.645 176.300 0.053 0.000 1.131 32 R CA 1.444 57.577 56.100 0.054 0.000 0.960 32 R CB -0.249 30.096 30.300 0.075 0.000 0.856 32 R HN 0.374 nan 8.270 nan 0.000 0.436 33 R N 0.240 120.758 120.500 0.031 0.000 2.073 33 R HA -0.098 4.231 4.340 -0.018 0.000 0.234 33 R C 2.380 178.690 176.300 0.016 0.000 1.134 33 R CA 1.449 57.566 56.100 0.028 0.000 0.952 33 R CB -0.209 30.100 30.300 0.015 0.000 0.850 33 R HN 0.197 nan 8.270 nan 0.000 0.433 34 R N 0.427 120.921 120.500 -0.010 0.000 2.081 34 R HA -0.077 4.252 4.340 -0.018 0.000 0.235 34 R C 2.317 178.601 176.300 -0.026 0.000 1.131 34 R CA 1.159 57.245 56.100 -0.023 0.000 0.960 34 R CB -0.364 29.910 30.300 -0.044 0.000 0.856 34 R HN 0.209 nan 8.270 nan 0.000 0.436 35 L N 0.572 121.761 121.223 -0.057 0.000 2.156 35 L HA -0.143 4.186 4.340 -0.018 0.000 0.208 35 L C 1.617 178.547 176.870 0.099 0.000 1.095 35 L CA 0.969 55.777 54.840 -0.053 0.000 0.770 35 L CB -0.253 41.610 42.059 -0.327 0.000 0.914 35 L HN 0.115 nan 8.230 nan 0.000 0.439 36 D N -0.401 120.078 120.400 0.132 0.000 2.149 36 D HA -0.186 4.443 4.640 -0.018 0.000 0.201 36 D C 2.020 178.366 176.300 0.077 0.000 0.972 36 D CA 0.810 54.898 54.000 0.148 0.000 0.835 36 D CB 0.032 40.913 40.800 0.135 0.000 0.966 36 D HN 0.150 nan 8.370 nan 0.000 0.476 37 E N 0.656 120.885 120.200 0.049 0.000 2.209 37 E HA -0.102 4.237 4.350 -0.018 0.000 0.196 37 E C 1.773 178.391 176.600 0.029 0.000 0.993 37 E CA 0.703 57.121 56.400 0.031 0.000 0.819 37 E CB -0.224 29.487 29.700 0.017 0.000 0.745 37 E HN 0.294 nan 8.360 nan 0.000 0.477 38 L N -1.365 119.878 121.223 0.034 0.000 2.567 38 L HA 0.272 4.601 4.340 -0.018 0.000 0.225 38 L C 1.324 178.220 176.870 0.043 0.000 1.119 38 L CA 0.259 55.117 54.840 0.031 0.000 0.871 38 L CB -0.323 41.748 42.059 0.020 0.000 1.036 38 L HN 0.315 nan 8.230 nan 0.000 0.459 39 G N 1.575 110.410 108.800 0.059 0.000 2.305 39 G HA2 -0.248 3.701 3.960 -0.018 0.000 0.287 39 G HA3 -0.248 3.701 3.960 -0.018 0.000 0.287 39 G C 0.144 175.074 174.900 0.050 0.000 1.036 39 G CA 0.197 45.330 45.100 0.055 0.000 0.887 39 G HN 0.148 nan 8.290 nan 0.000 0.505 40 V N -0.340 119.626 119.914 0.087 0.000 2.686 40 V HA 0.340 4.449 4.120 -0.018 0.000 0.295 40 V C 0.900 177.023 176.094 0.047 0.000 1.057 40 V CA -0.490 61.844 62.300 0.056 0.000 1.012 40 V CB 1.858 33.717 31.823 0.059 0.000 1.006 40 V HN 0.453 nan 8.190 nan 0.000 0.477 41 E N 2.969 123.115 120.200 -0.091 0.000 2.152 41 E HA 0.412 4.751 4.350 -0.018 0.000 0.285 41 E C -1.475 175.038 176.600 -0.146 0.000 1.043 41 E CA -0.267 56.025 56.400 -0.180 0.000 0.839 41 E CB 0.630 30.209 29.700 -0.203 0.000 1.069 41 E HN 0.622 nan 8.360 nan 0.000 0.399 42 Y N 0.830 121.072 120.300 -0.096 0.000 2.615 42 Y HA 0.718 5.257 4.550 -0.018 0.000 0.341 42 Y C -1.598 174.311 175.900 0.016 0.000 1.089 42 Y CA -1.299 56.756 58.100 -0.074 0.000 1.049 42 Y CB 1.185 39.609 38.460 -0.060 0.000 1.296 42 Y HN 0.133 nan 8.280 nan 0.000 0.470 43 V N 2.738 122.811 119.914 0.264 0.000 2.668 43 V HA 0.508 4.617 4.120 -0.018 0.000 0.304 43 V C -1.767 174.482 176.094 0.259 0.000 1.071 43 V CA -0.921 61.519 62.300 0.234 0.000 0.894 43 V CB 1.398 33.251 31.823 0.049 0.000 1.008 43 V HN 0.674 nan 8.190 nan 0.000 0.425 44 F N 6.501 126.508 119.950 0.095 0.000 2.438 44 F HA 0.614 5.130 4.527 -0.019 0.000 0.356 44 F C 0.634 176.278 175.800 -0.260 0.000 1.099 44 F CA 0.334 58.346 58.000 0.019 0.000 1.185 44 F CB 1.479 40.548 39.000 0.115 0.000 1.115 44 F HN 0.525 nan 8.300 nan 0.000 0.526 45 V N 0.405 120.187 119.914 -0.221 0.000 3.204 45 V HA 1.051 5.160 4.120 -0.018 0.000 0.308 45 V C 0.315 176.284 176.094 -0.208 0.000 1.324 45 V CA -0.483 61.469 62.300 -0.580 0.000 1.042 45 V CB 0.893 32.288 31.823 -0.714 0.000 1.167 45 V HN 1.285 nan 8.190 nan 0.000 0.478 46 G N 0.580 109.294 108.800 -0.142 0.000 2.741 46 G HA2 -0.115 3.834 3.960 -0.018 0.000 0.222 46 G HA3 -0.115 3.834 3.960 -0.018 0.000 0.222 46 G C 0.696 175.712 174.900 0.194 0.000 1.364 46 G CA 0.754 45.888 45.100 0.057 0.000 0.866 46 G HN 2.420 nan 8.290 nan 0.000 0.555 47 S N -1.471 114.385 115.700 0.260 0.000 2.515 47 S HA -0.004 4.455 4.470 -0.018 0.000 0.231 47 S C 1.781 176.644 174.600 0.438 0.000 0.987 47 S CA 1.771 60.173 58.200 0.337 0.000 0.936 47 S CB -0.120 63.305 63.200 0.374 0.000 0.766 47 S HN 1.227 nan 8.310 nan 0.000 0.528 48 Y N 2.390 122.867 120.300 0.296 0.000 2.243 48 Y HA 0.309 4.849 4.550 -0.018 0.000 0.293 48 Y C 2.502 178.601 175.900 0.332 0.000 1.124 48 Y CA 0.607 58.888 58.100 0.302 0.000 1.159 48 Y CB -0.851 37.624 38.460 0.025 0.000 1.008 48 Y HN 0.286 nan 8.280 nan 0.000 0.527 49 A N 0.589 123.522 122.820 0.189 0.000 2.019 49 A HA -0.141 4.168 4.320 -0.018 0.000 0.219 49 A C 2.067 179.741 177.584 0.150 0.000 1.164 49 A CA 1.655 53.782 52.037 0.150 0.000 0.644 49 A CB -0.467 18.628 19.000 0.158 0.000 0.805 49 A HN 0.542 nan 8.150 nan 0.000 0.449 50 R N -0.766 119.851 120.500 0.196 0.000 2.362 50 R HA 0.113 4.442 4.340 -0.018 0.000 0.227 50 R C -0.363 175.989 176.300 0.086 0.000 0.905 50 R CA 0.080 56.275 56.100 0.159 0.000 1.067 50 R CB 0.135 30.557 30.300 0.203 0.000 1.078 50 R HN 0.454 nan 8.270 nan 0.000 0.516 51 N N 1.296 120.051 118.700 0.091 0.000 2.725 51 N HA -0.142 4.587 4.740 -0.018 0.000 0.251 51 N C -0.010 175.434 175.510 -0.110 0.000 1.031 51 N CA 1.694 54.725 53.050 -0.032 0.000 0.720 51 N CB -1.138 37.278 38.487 -0.118 0.000 0.930 51 N HN 0.460 nan 8.380 nan 0.000 0.543 52 T N -4.833 109.756 114.554 0.059 0.000 3.170 52 T HA 0.206 4.545 4.350 -0.018 0.000 0.288 52 T C 0.360 175.130 174.700 0.117 0.000 0.992 52 T CA -0.673 61.452 62.100 0.041 0.000 0.909 52 T CB -0.331 68.613 68.868 0.127 0.000 1.133 52 T HN 0.393 nan 8.240 nan 0.000 0.530 53 W N 2.022 123.385 121.300 0.105 0.000 2.216 53 W HA 0.666 5.316 4.660 -0.017 0.000 0.326 53 W C -0.329 176.248 176.519 0.096 0.000 1.319 53 W CA -2.039 55.386 57.345 0.133 0.000 1.213 53 W CB 0.270 29.834 29.460 0.175 0.000 1.171 53 W HN 0.030 nan 8.180 nan 0.000 0.557 54 L N 4.857 126.234 121.223 0.257 0.000 2.426 54 L HA 0.167 4.496 4.340 -0.018 0.000 0.271 54 L C 0.892 177.893 176.870 0.218 0.000 1.169 54 L CA -0.483 54.423 54.840 0.110 0.000 0.836 54 L CB 0.281 42.377 42.059 0.063 0.000 1.112 54 L HN 0.653 nan 8.230 nan 0.000 0.465 55 K N 3.985 124.435 120.400 0.084 0.000 2.504 55 K HA 0.200 4.509 4.320 -0.018 0.000 0.278 55 K C 0.949 177.673 176.600 0.206 0.000 1.025 55 K CA 1.056 57.429 56.287 0.144 0.000 1.093 55 K CB -0.208 32.326 32.500 0.057 0.000 0.873 55 K HN 0.975 nan 8.250 nan 0.000 0.483 56 G N 2.402 111.359 108.800 0.263 0.000 2.175 56 G HA2 -0.232 3.717 3.960 -0.018 0.000 0.244 56 G HA3 -0.232 3.717 3.960 -0.018 0.000 0.244 56 G C 0.256 175.280 174.900 0.206 0.000 0.982 56 G CA 0.308 45.528 45.100 0.200 0.000 0.641 56 G HN 0.567 nan 8.290 nan 0.000 0.527 57 S N -0.030 115.847 115.700 0.294 0.000 2.661 57 S HA 0.404 4.863 4.470 -0.018 0.000 0.245 57 S C 0.167 174.848 174.600 0.135 0.000 1.117 57 S CA -0.377 57.968 58.200 0.241 0.000 1.091 57 S CB 0.531 63.910 63.200 0.299 0.000 0.887 57 S HN 0.680 nan 8.310 nan 0.000 0.491 58 L N 3.444 124.650 121.223 -0.030 0.000 2.530 58 L HA 0.331 4.660 4.340 -0.018 0.000 0.273 58 L C 0.100 176.807 176.870 -0.271 0.000 1.141 58 L CA 0.937 55.507 54.840 -0.449 0.000 0.905 58 L CB -0.224 41.608 42.059 -0.378 0.000 1.202 58 L HN 0.258 nan 8.230 nan 0.000 0.473 59 E N 5.089 125.131 120.200 -0.263 0.000 2.278 59 E HA 0.370 4.709 4.350 -0.018 0.000 0.272 59 E C -1.289 175.204 176.600 -0.178 0.000 0.890 59 E CA -0.626 55.688 56.400 -0.143 0.000 0.770 59 E CB 1.267 30.974 29.700 0.011 0.000 1.212 59 E HN 0.625 nan 8.360 nan 0.000 0.415 60 I N 3.743 124.147 120.570 -0.278 0.000 2.342 60 I HA 0.201 4.361 4.170 -0.018 0.000 0.291 60 I C -0.409 175.606 176.117 -0.171 0.000 1.010 60 I CA -0.422 60.693 61.300 -0.307 0.000 1.308 60 I CB 0.962 38.669 38.000 -0.488 0.000 1.400 60 I HN 0.342 nan 8.210 nan 0.000 0.488 61 D N 6.918 127.276 120.400 -0.070 0.000 2.280 61 D HA 0.319 4.948 4.640 -0.018 0.000 0.236 61 D C -0.659 175.544 176.300 -0.161 0.000 1.082 61 D CA -0.150 53.833 54.000 -0.027 0.000 0.834 61 D CB 2.602 43.457 40.800 0.092 0.000 1.100 61 D HN 0.068 nan 8.370 nan 0.000 0.486 62 V N 3.783 123.571 119.914 -0.210 0.000 2.376 62 V HA 0.271 4.380 4.120 -0.018 0.000 0.287 62 V C -0.576 175.498 176.094 -0.033 0.000 1.015 62 V CA -0.746 61.325 62.300 -0.383 0.000 0.834 62 V CB 0.795 32.220 31.823 -0.663 0.000 1.001 62 V HN 0.317 nan 8.190 nan 0.000 0.428 63 F N 5.036 124.850 119.950 -0.226 0.000 2.405 63 F HA 0.549 5.065 4.527 -0.018 0.000 0.355 63 F C 0.276 175.997 175.800 -0.132 0.000 1.121 63 F CA -1.011 56.896 58.000 -0.155 0.000 1.112 63 F CB 1.428 40.348 39.000 -0.133 0.000 1.126 63 F HN 0.245 nan 8.300 nan 0.000 0.481 64 L N 5.330 126.488 121.223 -0.108 0.000 2.281 64 L HA 0.265 4.594 4.340 -0.018 0.000 0.285 64 L C -0.699 175.915 176.870 -0.427 0.000 1.074 64 L CA -0.857 53.824 54.840 -0.265 0.000 0.817 64 L CB 0.486 42.350 42.059 -0.325 0.000 1.168 64 L HN 0.253 nan 8.230 nan 0.000 0.434 65 L N 4.714 125.679 121.223 -0.429 0.000 2.315 65 L HA 0.375 4.704 4.340 -0.018 0.000 0.283 65 L C -0.248 176.259 176.870 -0.606 0.000 1.089 65 L CA 0.368 54.985 54.840 -0.372 0.000 0.833 65 L CB -0.010 41.921 42.059 -0.213 0.000 1.170 65 L HN 0.253 nan 8.230 nan 0.000 0.442 66 F N 4.244 124.065 119.950 -0.215 0.000 2.522 66 F HA 0.562 5.078 4.527 -0.018 0.000 0.324 66 F C -1.832 173.803 175.800 -0.275 0.000 1.077 66 F CA -2.558 55.205 58.000 -0.395 0.000 0.944 66 F CB 1.174 39.886 39.000 -0.481 0.000 1.175 66 F HN 0.367 nan 8.300 nan 0.000 0.468 67 P HA 0.018 nan 4.420 nan 0.000 0.267 67 P C 0.659 178.080 177.300 0.202 0.000 1.200 67 P CA 0.167 63.237 63.100 -0.049 0.000 0.772 67 P CB 0.634 32.302 31.700 -0.055 0.000 0.855 68 E N 1.407 121.699 120.200 0.153 0.000 2.219 68 E HA -0.272 4.067 4.350 -0.018 0.000 0.198 68 E C 0.787 177.378 176.600 -0.014 0.000 0.998 68 E CA 1.421 57.828 56.400 0.011 0.000 0.818 68 E CB 0.105 29.799 29.700 -0.010 0.000 0.741 68 E HN 0.440 nan 8.360 nan 0.000 0.477 69 E N -0.551 119.753 120.200 0.174 0.000 2.371 69 E HA 0.001 4.340 4.350 -0.018 0.000 0.194 69 E C -0.144 176.627 176.600 0.284 0.000 1.012 69 E CA 0.041 56.549 56.400 0.181 0.000 0.860 69 E CB -0.007 29.796 29.700 0.171 0.000 0.811 69 E HN 0.110 nan 8.360 nan 0.000 0.502 70 F N 1.512 121.541 119.950 0.131 0.000 2.589 70 F HA 0.007 4.523 4.527 -0.018 0.000 0.352 70 F C 1.337 177.220 175.800 0.138 0.000 1.168 70 F CA -0.783 57.295 58.000 0.131 0.000 1.353 70 F CB 0.237 39.323 39.000 0.143 0.000 1.116 70 F HN -0.189 nan 8.300 nan 0.000 0.608 71 S N 1.835 117.632 115.700 0.162 0.000 2.617 71 S HA 0.248 4.707 4.470 -0.018 0.000 0.269 71 S C 0.981 175.646 174.600 0.108 0.000 1.292 71 S CA -0.468 57.791 58.200 0.098 0.000 1.010 71 S CB 1.196 64.395 63.200 -0.001 0.000 0.944 71 S HN 0.724 nan 8.310 nan 0.000 0.536 72 K N 0.801 121.247 120.400 0.076 0.000 2.152 72 K HA -0.167 4.142 4.320 -0.018 0.000 0.206 72 K C 1.227 177.773 176.600 -0.091 0.000 1.048 72 K CA 1.782 58.048 56.287 -0.035 0.000 0.933 72 K CB -0.363 32.088 32.500 -0.083 0.000 0.721 72 K HN 0.603 nan 8.250 nan 0.000 0.447 73 E N 1.142 121.314 120.200 -0.047 0.000 2.077 73 E HA -0.139 4.200 4.350 -0.018 0.000 0.193 73 E C 2.034 178.575 176.600 -0.098 0.000 0.989 73 E CA 1.160 57.526 56.400 -0.056 0.000 0.800 73 E CB -0.076 29.603 29.700 -0.035 0.000 0.746 73 E HN 0.329 nan 8.360 nan 0.000 0.452 74 E N 0.124 120.259 120.200 -0.109 0.000 2.051 74 E HA -0.154 4.185 4.350 -0.018 0.000 0.192 74 E C 2.036 178.460 176.600 -0.295 0.000 0.991 74 E CA 0.738 57.049 56.400 -0.148 0.000 0.799 74 E CB -0.184 29.450 29.700 -0.111 0.000 0.748 74 E HN 0.167 nan 8.360 nan 0.000 0.449 75 L N 0.954 121.927 121.223 -0.418 0.000 2.013 75 L HA -0.238 4.091 4.340 -0.018 0.000 0.212 75 L C 2.500 179.140 176.870 -0.382 0.000 1.073 75 L CA 2.044 56.452 54.840 -0.720 0.000 0.753 75 L CB -0.805 40.896 42.059 -0.596 0.000 0.890 75 L HN 0.145 nan 8.230 nan 0.000 0.432 76 R N -0.568 119.797 120.500 -0.225 0.000 2.090 76 R HA -0.066 4.263 4.340 -0.018 0.000 0.228 76 R C 1.915 178.152 176.300 -0.105 0.000 1.110 76 R CA 1.219 57.242 56.100 -0.127 0.000 0.973 76 R CB -0.840 29.417 30.300 -0.072 0.000 0.869 76 R HN 0.366 nan 8.270 nan 0.000 0.440 77 E N 0.440 120.573 120.200 -0.110 0.000 2.016 77 E HA -0.010 4.329 4.350 -0.018 0.000 0.190 77 E C 2.157 178.716 176.600 -0.070 0.000 0.985 77 E CA 0.677 57.031 56.400 -0.077 0.000 0.802 77 E CB -0.035 29.624 29.700 -0.067 0.000 0.762 77 E HN 0.172 nan 8.360 nan 0.000 0.448 78 R N 0.201 120.647 120.500 -0.090 0.000 2.103 78 R HA -0.123 4.206 4.340 -0.018 0.000 0.242 78 R C 2.411 178.748 176.300 0.063 0.000 1.142 78 R CA 1.372 57.470 56.100 -0.004 0.000 0.960 78 R CB -0.934 29.356 30.300 -0.016 0.000 0.858 78 R HN 0.279 nan 8.270 nan 0.000 0.439 79 G N 1.212 110.022 108.800 0.018 0.000 2.442 79 G HA2 -0.249 3.700 3.960 -0.018 0.000 0.219 79 G HA3 -0.249 3.700 3.960 -0.018 0.000 0.219 79 G C 1.399 176.294 174.900 -0.008 0.000 1.141 79 G CA 0.451 45.596 45.100 0.075 0.000 0.763 79 G HN 0.234 nan 8.290 nan 0.000 0.554 80 L N 0.466 121.659 121.223 -0.051 0.000 2.109 80 L HA 0.178 4.507 4.340 -0.018 0.000 0.207 80 L C 2.511 179.307 176.870 -0.124 0.000 1.086 80 L CA 1.922 56.707 54.840 -0.092 0.000 0.760 80 L CB -0.708 41.298 42.059 -0.088 0.000 0.910 80 L HN 0.200 nan 8.230 nan 0.000 0.437 81 E N 0.074 120.226 120.200 -0.080 0.000 2.033 81 E HA -0.236 4.103 4.350 -0.018 0.000 0.199 81 E C 2.166 178.715 176.600 -0.084 0.000 1.011 81 E CA 2.287 58.639 56.400 -0.079 0.000 0.815 81 E CB -0.386 29.297 29.700 -0.028 0.000 0.755 81 E HN 0.560 nan 8.360 nan 0.000 0.451 82 I N -0.159 120.390 120.570 -0.036 0.000 2.163 82 I HA -0.246 3.913 4.170 -0.018 0.000 0.243 82 I C 2.355 178.418 176.117 -0.089 0.000 1.085 82 I CA 1.313 62.589 61.300 -0.040 0.000 1.347 82 I CB -0.696 37.307 38.000 0.004 0.000 1.044 82 I HN 0.251 nan 8.210 nan 0.000 0.408 83 G N 0.724 109.463 108.800 -0.101 0.000 2.459 83 G HA2 -0.321 3.629 3.960 -0.018 0.000 0.217 83 G HA3 -0.321 3.629 3.960 -0.018 0.000 0.217 83 G C 1.690 176.483 174.900 -0.179 0.000 1.183 83 G CA 1.009 46.035 45.100 -0.124 0.000 0.776 83 G HN 0.303 nan 8.290 nan 0.000 0.552 84 K N 0.560 120.775 120.400 -0.309 0.000 2.020 84 K HA -0.089 4.220 4.320 -0.018 0.000 0.212 84 K C 2.790 179.233 176.600 -0.263 0.000 1.050 84 K CA 1.516 57.489 56.287 -0.524 0.000 0.929 84 K CB -0.374 31.724 32.500 -0.669 0.000 0.714 84 K HN 0.228 nan 8.250 nan 0.000 0.443 85 A N 0.349 123.063 122.820 -0.176 0.000 1.969 85 A HA -0.085 4.224 4.320 -0.018 0.000 0.218 85 A C 2.043 179.581 177.584 -0.077 0.000 1.169 85 A CA 1.403 53.379 52.037 -0.103 0.000 0.635 85 A CB -0.205 18.749 19.000 -0.076 0.000 0.810 85 A HN 0.251 nan 8.150 nan 0.000 0.445 86 V N -0.445 119.416 119.914 -0.089 0.000 3.608 86 V HA 0.266 4.375 4.120 -0.018 0.000 0.269 86 V C 0.231 176.280 176.094 -0.076 0.000 1.245 86 V CA 0.341 62.591 62.300 -0.082 0.000 1.138 86 V CB -0.255 31.503 31.823 -0.107 0.000 0.841 86 V HN 0.409 nan 8.190 nan 0.000 0.451 87 L N -0.281 120.905 121.223 -0.061 0.000 2.334 87 L HA 0.487 4.816 4.340 -0.018 0.000 0.276 87 L C 0.977 177.851 176.870 0.006 0.000 1.014 87 L CA -0.717 54.102 54.840 -0.036 0.000 0.815 87 L CB 1.451 43.498 42.059 -0.021 0.000 1.268 87 L HN -0.004 nan 8.230 nan 0.000 0.428 88 D N 0.561 120.957 120.400 -0.006 0.000 2.092 88 D HA -0.084 4.545 4.640 -0.018 0.000 0.193 88 D C 0.164 176.488 176.300 0.039 0.000 0.994 88 D CA 1.496 55.500 54.000 0.008 0.000 0.828 88 D CB 0.224 41.017 40.800 -0.010 0.000 0.963 88 D HN 0.429 nan 8.370 nan 0.000 0.450 89 S N -0.634 115.086 115.700 0.033 0.000 2.561 89 S HA 0.455 4.914 4.470 -0.018 0.000 0.303 89 S C -0.538 174.106 174.600 0.072 0.000 1.110 89 S CA -0.963 57.257 58.200 0.032 0.000 1.034 89 S CB 1.474 64.666 63.200 -0.014 0.000 1.010 89 S HN 0.250 nan 8.310 nan 0.000 0.482 90 Y N 0.368 120.648 120.300 -0.034 0.000 2.654 90 Y HA 0.860 5.399 4.550 -0.018 0.000 0.327 90 Y C -0.305 175.585 175.900 -0.016 0.000 1.122 90 Y CA -1.028 57.049 58.100 -0.037 0.000 1.227 90 Y CB 1.087 39.520 38.460 -0.045 0.000 1.370 90 Y HN 0.659 nan 8.280 nan 0.000 0.528 91 E N 1.555 121.812 120.200 0.094 0.000 3.386 91 E HA 0.221 4.560 4.350 -0.018 0.000 0.370 91 E C -1.897 174.717 176.600 0.024 0.000 1.006 91 E CA -0.430 55.953 56.400 -0.027 0.000 0.812 91 E CB 0.984 30.666 29.700 -0.029 0.000 1.301 91 E HN 0.836 nan 8.360 nan 0.000 0.460 92 I N 3.087 123.655 120.570 -0.004 0.000 2.752 92 I HA 0.151 4.310 4.170 -0.018 0.000 0.287 92 I C 0.637 176.560 176.117 -0.324 0.000 1.188 92 I CA 0.444 61.634 61.300 -0.183 0.000 1.427 92 I CB 0.426 38.322 38.000 -0.173 0.000 1.365 92 I HN 0.486 nan 8.210 nan 0.000 0.585 93 R N 3.834 123.909 120.500 -0.709 0.000 2.905 93 R HA 0.646 4.975 4.340 -0.018 0.000 0.260 93 R C -1.830 173.814 176.300 -1.094 0.000 1.086 93 R CA -0.668 54.984 56.100 -0.745 0.000 0.978 93 R CB 1.655 31.376 30.300 -0.965 0.000 1.215 93 R HN 0.356 nan 8.270 nan 0.000 0.480 94 Y N -0.648 119.419 120.300 -0.388 0.000 2.534 94 Y HA 0.764 5.303 4.550 -0.018 0.000 0.345 94 Y C 0.125 176.062 175.900 0.061 0.000 1.031 94 Y CA -0.387 57.628 58.100 -0.141 0.000 1.022 94 Y CB 2.323 40.740 38.460 -0.070 0.000 1.292 94 Y HN 0.724 nan 8.280 nan 0.000 0.459 95 A N 1.020 124.013 122.820 0.289 0.000 3.069 95 A HA 0.344 4.653 4.320 -0.018 0.000 0.173 95 A C 1.103 178.760 177.584 0.121 0.000 0.939 95 A CA 0.257 52.432 52.037 0.229 0.000 1.472 95 A CB -0.054 19.109 19.000 0.272 0.000 2.157 95 A HN 0.726 nan 8.150 nan 0.000 0.821 96 E N -0.679 119.553 120.200 0.054 0.000 2.107 96 E HA -0.081 4.259 4.350 -0.018 0.000 0.191 96 E C -0.184 176.193 176.600 -0.372 0.000 0.982 96 E CA 0.867 57.180 56.400 -0.144 0.000 0.809 96 E CB -0.015 29.608 29.700 -0.129 0.000 0.756 96 E HN 0.575 nan 8.360 nan 0.000 0.459 97 H N -0.685 118.467 119.070 0.136 0.000 2.895 97 H HA 0.294 4.839 4.556 -0.018 0.000 0.373 97 H C -2.402 172.989 175.328 0.105 0.000 1.174 97 H CA -2.231 53.884 56.048 0.111 0.000 1.144 97 H CB 1.488 31.288 29.762 0.064 0.000 1.793 97 H HN 0.092 nan 8.280 nan 0.000 0.551 98 P HA 0.063 nan 4.420 nan 0.000 0.269 98 P C -0.927 176.324 177.300 -0.082 0.000 1.209 98 P CA 0.346 63.331 63.100 -0.191 0.000 0.776 98 P CB 0.907 32.430 31.700 -0.294 0.000 0.876 99 Y N -0.757 119.395 120.300 -0.246 0.000 2.896 99 Y HA 0.725 5.264 4.550 -0.018 0.000 0.317 99 Y C -1.561 174.243 175.900 -0.160 0.000 1.444 99 Y CA -1.413 56.580 58.100 -0.178 0.000 1.084 99 Y CB 0.429 38.793 38.460 -0.160 0.000 1.382 99 Y HN 0.095 nan 8.280 nan 0.000 0.471 100 V N 1.138 121.146 119.914 0.157 0.000 2.588 100 V HA 0.397 4.506 4.120 -0.018 0.000 0.304 100 V C -1.255 174.960 176.094 0.201 0.000 1.042 100 V CA -0.491 61.850 62.300 0.067 0.000 0.877 100 V CB 1.185 33.017 31.823 0.015 0.000 0.996 100 V HN 0.962 nan 8.190 nan 0.000 0.425 101 H N 1.958 121.070 119.070 0.069 0.000 2.573 101 H HA 0.904 5.449 4.556 -0.018 0.000 0.351 101 H C 0.114 175.471 175.328 0.047 0.000 1.163 101 H CA 0.676 56.778 56.048 0.090 0.000 1.205 101 H CB 2.077 31.899 29.762 0.099 0.000 1.605 101 H HN 0.950 nan 8.280 nan 0.000 0.525 102 G N 0.850 109.300 108.800 -0.582 0.000 2.427 102 G HA2 0.415 4.364 3.960 -0.018 0.000 0.306 102 G HA3 0.415 4.364 3.960 -0.018 0.000 0.306 102 G C -1.933 172.790 174.900 -0.294 0.000 1.280 102 G CA -0.204 44.739 45.100 -0.262 0.000 0.837 102 G HN 0.635 nan 8.290 nan 0.000 0.482 103 V N -0.512 119.318 119.914 -0.140 0.000 2.789 103 V HA 0.764 4.873 4.120 -0.018 0.000 0.311 103 V C -0.655 175.385 176.094 -0.090 0.000 1.073 103 V CA -0.661 61.570 62.300 -0.114 0.000 0.921 103 V CB 1.846 33.633 31.823 -0.059 0.000 1.009 103 V HN 0.745 nan 8.190 nan 0.000 0.426 104 V N 3.843 123.698 119.914 -0.097 0.000 2.623 104 V HA 0.454 4.563 4.120 -0.018 0.000 0.304 104 V C 0.089 176.143 176.094 -0.066 0.000 1.054 104 V CA -1.144 61.110 62.300 -0.078 0.000 0.882 104 V CB 1.801 33.568 31.823 -0.093 0.000 1.002 104 V HN 0.924 nan 8.190 nan 0.000 0.424 105 K N 3.693 124.067 120.400 -0.043 0.000 3.177 105 K HA -0.267 4.042 4.320 -0.018 0.000 0.266 105 K C 1.121 177.702 176.600 -0.033 0.000 0.937 105 K CA 0.766 57.034 56.287 -0.031 0.000 0.702 105 K CB -1.298 31.186 32.500 -0.027 0.000 1.365 105 K HN 1.621 nan 8.250 nan 0.000 0.466 106 G N -1.276 107.504 108.800 -0.033 0.000 2.184 106 G HA2 -0.316 3.633 3.960 -0.018 0.000 0.264 106 G HA3 -0.316 3.633 3.960 -0.018 0.000 0.264 106 G C 0.085 174.961 174.900 -0.040 0.000 0.975 106 G CA 0.290 45.373 45.100 -0.027 0.000 0.642 106 G HN 0.933 nan 8.290 nan 0.000 0.536 107 V N -2.447 117.424 119.914 -0.073 0.000 2.864 107 V HA 0.866 4.975 4.120 -0.018 0.000 0.314 107 V C 0.044 176.062 176.094 -0.125 0.000 1.073 107 V CA -1.378 60.861 62.300 -0.103 0.000 0.956 107 V CB 2.042 33.769 31.823 -0.160 0.000 1.023 107 V HN 0.148 nan 8.190 nan 0.000 0.435 108 E N 2.456 122.592 120.200 -0.106 0.000 2.392 108 E HA 0.482 4.821 4.350 -0.018 0.000 0.264 108 E C -0.681 175.793 176.600 -0.210 0.000 1.024 108 E CA 0.071 56.407 56.400 -0.107 0.000 0.903 108 E CB 1.578 31.314 29.700 0.059 0.000 0.963 108 E HN 0.682 nan 8.360 nan 0.000 0.432 109 V N 2.906 122.599 119.914 -0.368 0.000 2.808 109 V HA 0.213 4.322 4.120 -0.018 0.000 0.308 109 V C -0.689 175.200 176.094 -0.342 0.000 1.099 109 V CA -0.977 61.131 62.300 -0.320 0.000 0.920 109 V CB 2.511 34.161 31.823 -0.288 0.000 1.014 109 V HN 0.495 nan 8.190 nan 0.000 0.425 110 D N 2.210 122.519 120.400 -0.152 0.000 2.256 110 D HA 0.628 5.257 4.640 -0.018 0.000 0.246 110 D C -0.855 175.362 176.300 -0.137 0.000 1.042 110 D CA -0.124 53.851 54.000 -0.043 0.000 0.841 110 D CB 2.481 43.274 40.800 -0.012 0.000 1.223 110 D HN 0.265 nan 8.370 nan 0.000 0.470 111 V N 2.856 122.708 119.914 -0.103 0.000 2.349 111 V HA 0.305 4.415 4.120 -0.018 0.000 0.284 111 V C -0.242 175.734 176.094 -0.197 0.000 1.014 111 V CA -0.703 61.496 62.300 -0.168 0.000 0.826 111 V CB 1.663 33.410 31.823 -0.126 0.000 1.009 111 V HN 0.267 nan 8.190 nan 0.000 0.431 112 V N 7.170 126.813 119.914 -0.452 0.000 2.448 112 V HA 0.466 4.576 4.120 -0.018 0.000 0.295 112 V C -2.533 173.252 176.094 -0.514 0.000 1.025 112 V CA -2.203 59.731 62.300 -0.609 0.000 0.859 112 V CB 2.171 33.244 31.823 -1.250 0.000 0.988 112 V HN 0.635 nan 8.190 nan 0.000 0.431 113 P HA 0.457 nan 4.420 nan 0.000 0.280 113 P C -0.726 176.493 177.300 -0.136 0.000 1.244 113 P CA -0.141 62.943 63.100 -0.027 0.000 0.784 113 P CB 0.642 32.371 31.700 0.049 0.000 0.913 114 C N 1.776 121.039 119.300 -0.062 0.000 3.288 114 C HA 0.558 5.007 4.460 -0.018 0.000 0.318 114 C C -1.164 173.764 174.990 -0.104 0.000 1.356 114 C CA -1.162 57.801 59.018 -0.092 0.000 1.359 114 C CB 0.303 28.104 27.740 0.102 0.000 1.688 114 C HN 0.447 nan 8.230 nan 0.000 0.467 115 Y N 1.121 121.492 120.300 0.119 0.000 2.316 115 Y HA 0.423 4.962 4.550 -0.018 0.000 0.331 115 Y C 0.916 176.848 175.900 0.054 0.000 1.083 115 Y CA -0.002 58.153 58.100 0.091 0.000 1.206 115 Y CB 0.878 39.392 38.460 0.091 0.000 1.195 115 Y HN 0.712 nan 8.280 nan 0.000 0.497 116 K N 5.477 125.983 120.400 0.176 0.000 2.310 116 K HA 0.444 4.753 4.320 -0.018 0.000 0.290 116 K C -1.526 175.141 176.600 0.111 0.000 1.077 116 K CA 0.032 56.358 56.287 0.065 0.000 0.922 116 K CB -0.071 32.425 32.500 -0.007 0.000 1.057 116 K HN 0.677 nan 8.250 nan 0.000 0.479 117 L N 2.597 123.898 121.223 0.130 0.000 2.322 117 L HA 0.583 4.912 4.340 -0.018 0.000 0.252 117 L C -0.865 176.185 176.870 0.301 0.000 1.055 117 L CA -1.245 53.722 54.840 0.212 0.000 0.849 117 L CB 1.994 44.228 42.059 0.292 0.000 1.446 117 L HN 0.449 nan 8.230 nan 0.000 0.416 118 K N 0.678 121.264 120.400 0.309 0.000 2.371 118 K HA 0.475 4.784 4.320 -0.018 0.000 0.251 118 K C -1.573 175.179 176.600 0.253 0.000 0.934 118 K CA -0.361 56.137 56.287 0.352 0.000 0.798 118 K CB 1.387 33.996 32.500 0.183 0.000 1.204 118 K HN 0.552 nan 8.250 nan 0.000 0.427 119 E N 1.726 122.042 120.200 0.192 0.000 7.504 119 E HA -0.108 4.231 4.350 -0.018 0.000 0.337 119 E C -2.406 173.945 176.600 -0.414 0.000 0.701 119 E CA 0.016 56.360 56.400 -0.093 0.000 1.302 119 E CB -0.524 29.163 29.700 -0.020 0.000 0.927 119 E HN 0.587 nan 8.360 nan 0.000 0.263 120 P HA -0.243 nan 4.420 nan 0.000 0.219 120 P C 0.605 177.690 177.300 -0.358 0.000 1.151 120 P CA 1.705 64.320 63.100 -0.808 0.000 0.850 120 P CB 0.257 31.657 31.700 -0.499 0.000 0.784 121 K N -0.757 119.519 120.400 -0.208 0.000 2.136 121 K HA 0.082 4.391 4.320 -0.018 0.000 0.237 121 K C 0.953 177.515 176.600 -0.062 0.000 1.048 121 K CA -0.161 56.066 56.287 -0.099 0.000 0.880 121 K CB -0.265 32.197 32.500 -0.063 0.000 1.105 121 K HN 0.030 nan 8.250 nan 0.000 0.507 122 N N -1.314 117.370 118.700 -0.026 0.000 2.967 122 N HA -0.227 4.502 4.740 -0.018 0.000 0.212 122 N C 0.312 175.828 175.510 0.009 0.000 0.884 122 N CA 0.811 53.856 53.050 -0.007 0.000 1.030 122 N CB -1.426 37.067 38.487 0.009 0.000 1.018 122 N HN 0.704 nan 8.380 nan 0.000 0.596 123 I N 2.083 122.666 120.570 0.020 0.000 2.919 123 I HA -0.175 3.984 4.170 -0.018 0.000 0.303 123 I C 1.391 177.552 176.117 0.073 0.000 1.221 123 I CA 1.131 62.474 61.300 0.071 0.000 1.444 123 I CB 0.497 38.524 38.000 0.046 0.000 1.331 123 I HN 0.119 nan 8.210 nan 0.000 0.572 124 K N 3.636 124.113 120.400 0.129 0.000 2.387 124 K HA 0.185 4.494 4.320 -0.018 0.000 0.197 124 K C 0.242 176.965 176.600 0.205 0.000 1.127 124 K CA 0.105 56.471 56.287 0.131 0.000 0.950 124 K CB 0.660 33.213 32.500 0.088 0.000 1.017 124 K HN 0.550 nan 8.250 nan 0.000 0.519 125 S N -0.919 114.930 115.700 0.248 0.000 2.549 125 S HA 0.492 4.951 4.470 -0.018 0.000 0.280 125 S C 0.304 175.018 174.600 0.190 0.000 1.109 125 S CA -0.373 57.978 58.200 0.253 0.000 0.905 125 S CB 1.754 65.159 63.200 0.341 0.000 1.081 125 S HN 0.210 nan 8.310 nan 0.000 0.477 126 A N 2.423 125.334 122.820 0.152 0.000 1.958 126 A HA -0.145 4.164 4.320 -0.018 0.000 0.221 126 A C 2.059 179.716 177.584 0.122 0.000 1.178 126 A CA 2.599 54.704 52.037 0.113 0.000 0.642 126 A CB -1.417 17.639 19.000 0.094 0.000 0.816 126 A HN 1.526 nan 8.150 nan 0.000 0.453 127 V N -2.329 117.682 119.914 0.162 0.000 2.913 127 V HA -0.169 3.940 4.120 -0.018 0.000 0.260 127 V C 1.479 177.718 176.094 0.242 0.000 1.098 127 V CA 2.112 64.540 62.300 0.213 0.000 1.121 127 V CB -0.824 31.099 31.823 0.167 0.000 0.714 127 V HN 0.421 nan 8.190 nan 0.000 0.487 128 D N 0.676 121.200 120.400 0.207 0.000 2.219 128 D HA -0.108 4.521 4.640 -0.018 0.000 0.205 128 D C 2.274 178.712 176.300 0.230 0.000 0.970 128 D CA 1.199 55.341 54.000 0.237 0.000 0.851 128 D CB -0.156 40.815 40.800 0.286 0.000 0.943 128 D HN 0.478 nan 8.370 nan 0.000 0.488 129 R N 0.157 120.723 120.500 0.109 0.000 2.119 129 R HA -0.040 4.289 4.340 -0.018 0.000 0.222 129 R C 2.017 178.131 176.300 -0.309 0.000 1.088 129 R CA 0.922 56.992 56.100 -0.050 0.000 0.984 129 R CB -0.001 30.128 30.300 -0.285 0.000 0.884 129 R HN 0.057 nan 8.270 nan 0.000 0.447 130 T N 1.089 115.505 114.554 -0.230 0.000 2.685 130 T HA -0.145 4.195 4.350 -0.018 0.000 0.268 130 T C -1.141 173.385 174.700 -0.290 0.000 1.034 130 T CA 1.547 63.473 62.100 -0.291 0.000 1.149 130 T CB -0.946 67.719 68.868 -0.338 0.000 0.860 130 T HN 0.271 nan 8.240 nan 0.000 0.449 131 P HA 0.020 nan 4.420 nan 0.000 0.217 131 P C 1.031 178.223 177.300 -0.179 0.000 1.150 131 P CA 0.880 63.822 63.100 -0.263 0.000 0.832 131 P CB -0.187 31.320 31.700 -0.322 0.000 0.787 132 F N -1.455 118.466 119.950 -0.049 0.000 2.146 132 F HA -0.151 4.365 4.527 -0.019 0.000 0.298 132 F C 2.504 178.392 175.800 0.146 0.000 1.096 132 F CA 1.454 59.474 58.000 0.032 0.000 1.275 132 F CB -1.268 37.723 39.000 -0.015 0.000 1.008 132 F HN 0.101 nan 8.300 nan 0.000 0.480 133 H N -2.387 116.785 119.070 0.171 0.000 2.387 133 H HA -0.249 4.297 4.556 -0.017 0.000 0.299 133 H C 2.040 177.478 175.328 0.184 0.000 1.099 133 H CA 1.432 57.509 56.048 0.049 0.000 1.315 133 H CB -0.192 29.316 29.762 -0.424 0.000 1.380 133 H HN 0.265 nan 8.280 nan 0.000 0.513 134 H N 1.035 120.191 119.070 0.143 0.000 2.357 134 H HA -0.061 4.484 4.556 -0.018 0.000 0.301 134 H C 2.055 177.468 175.328 0.141 0.000 1.082 134 H CA 1.210 57.320 56.048 0.103 0.000 1.342 134 H CB 0.237 29.989 29.762 -0.016 0.000 1.389 134 H HN -0.027 nan 8.280 nan 0.000 0.511 135 K N -0.246 120.196 120.400 0.071 0.000 2.057 135 K HA -0.182 4.128 4.320 -0.018 0.000 0.207 135 K C 2.171 178.822 176.600 0.084 0.000 1.049 135 K CA 1.289 57.583 56.287 0.012 0.000 0.931 135 K CB -0.982 31.567 32.500 0.081 0.000 0.714 135 K HN 0.454 nan 8.250 nan 0.000 0.440 136 W N 0.753 122.099 121.300 0.077 0.000 2.425 136 W HA -0.156 4.492 4.660 -0.020 0.000 0.277 136 W C 1.611 178.175 176.519 0.074 0.000 1.231 136 W CA 0.753 58.160 57.345 0.103 0.000 1.248 136 W CB 0.097 29.666 29.460 0.183 0.000 1.117 136 W HN -0.024 nan 8.180 nan 0.000 0.568 137 L N 0.639 122.059 121.223 0.327 0.000 2.253 137 L HA -0.012 4.317 4.340 -0.018 0.000 0.205 137 L C 2.444 179.312 176.870 -0.004 0.000 1.078 137 L CA 2.114 57.093 54.840 0.231 0.000 0.805 137 L CB -1.253 41.028 42.059 0.371 0.000 0.963 137 L HN 0.172 nan 8.230 nan 0.000 0.459 138 E N -1.148 118.969 120.200 -0.138 0.000 2.065 138 E HA -0.226 4.113 4.350 -0.018 0.000 0.201 138 E C 2.084 178.610 176.600 -0.124 0.000 1.016 138 E CA 1.510 57.801 56.400 -0.181 0.000 0.818 138 E CB -1.069 28.423 29.700 -0.346 0.000 0.749 138 E HN 0.386 nan 8.360 nan 0.000 0.453 139 G N 0.770 109.477 108.800 -0.154 0.000 2.402 139 G HA2 -0.220 3.729 3.960 -0.018 0.000 0.216 139 G HA3 -0.220 3.729 3.960 -0.018 0.000 0.216 139 G C 1.694 176.500 174.900 -0.157 0.000 1.162 139 G CA 0.679 45.689 45.100 -0.149 0.000 0.777 139 G HN 0.127 nan 8.290 nan 0.000 0.539 140 R N -0.883 119.487 120.500 -0.216 0.000 2.240 140 R HA 0.229 4.558 4.340 -0.018 0.000 0.203 140 R C 1.959 178.210 176.300 -0.081 0.000 1.011 140 R CA 0.201 56.179 56.100 -0.204 0.000 1.007 140 R CB -0.038 30.021 30.300 -0.403 0.000 0.911 140 R HN 0.375 nan 8.270 nan 0.000 0.468 141 I N 0.769 121.321 120.570 -0.030 0.000 3.427 141 I HA 0.008 4.167 4.170 -0.018 0.000 0.288 141 I C 0.178 176.300 176.117 0.008 0.000 1.249 141 I CA 0.105 61.421 61.300 0.027 0.000 1.421 141 I CB 0.125 38.173 38.000 0.081 0.000 1.086 141 I HN -0.250 nan 8.210 nan 0.000 0.448 142 K N 1.247 121.636 120.400 -0.018 0.000 2.530 142 K HA 0.227 4.536 4.320 -0.018 0.000 0.280 142 K C 1.192 177.782 176.600 -0.018 0.000 1.004 142 K CA 1.182 57.456 56.287 -0.021 0.000 1.071 142 K CB -0.360 32.118 32.500 -0.036 0.000 0.876 142 K HN 0.420 nan 8.250 nan 0.000 0.487 143 G N 3.509 112.299 108.800 -0.017 0.000 2.179 143 G HA2 -0.304 3.645 3.960 -0.018 0.000 0.260 143 G HA3 -0.304 3.645 3.960 -0.018 0.000 0.260 143 G C 0.350 175.245 174.900 -0.008 0.000 0.977 143 G CA 0.671 45.761 45.100 -0.017 0.000 0.641 143 G HN 0.618 nan 8.290 nan 0.000 0.533 144 K N 0.109 120.510 120.400 0.003 0.000 2.564 144 K HA 0.140 4.449 4.320 -0.018 0.000 0.201 144 K C 1.660 178.271 176.600 0.020 0.000 1.086 144 K CA 0.274 56.572 56.287 0.019 0.000 1.062 144 K CB 0.459 32.985 32.500 0.043 0.000 0.849 144 K HN 0.403 nan 8.250 nan 0.000 0.529 145 E N 0.835 121.033 120.200 -0.004 0.000 2.160 145 E HA -0.216 4.123 4.350 -0.018 0.000 0.195 145 E C 0.900 177.474 176.600 -0.043 0.000 0.991 145 E CA 1.220 57.607 56.400 -0.021 0.000 0.810 145 E CB -0.246 29.416 29.700 -0.063 0.000 0.742 145 E HN 0.188 nan 8.360 nan 0.000 0.466 146 N N 0.844 119.514 118.700 -0.050 0.000 2.396 146 N HA -0.081 4.648 4.740 -0.018 0.000 0.180 146 N C 1.578 177.065 175.510 -0.038 0.000 1.028 146 N CA 0.710 53.719 53.050 -0.068 0.000 0.893 146 N CB -0.008 38.433 38.487 -0.076 0.000 0.967 146 N HN 0.217 nan 8.380 nan 0.000 0.440 147 E N 0.525 120.733 120.200 0.013 0.000 2.072 147 E HA -0.024 4.315 4.350 -0.018 0.000 0.190 147 E C 2.129 178.789 176.600 0.100 0.000 0.982 147 E CA 0.368 56.814 56.400 0.076 0.000 0.803 147 E CB -0.405 29.363 29.700 0.114 0.000 0.755 147 E HN 0.077 nan 8.360 nan 0.000 0.453 148 V N 1.537 121.500 119.914 0.081 0.000 2.287 148 V HA -0.293 3.816 4.120 -0.018 0.000 0.248 148 V C 2.468 178.590 176.094 0.047 0.000 1.053 148 V CA 2.058 64.415 62.300 0.095 0.000 1.027 148 V CB -0.464 31.414 31.823 0.092 0.000 0.646 148 V HN 0.172 nan 8.190 nan 0.000 0.447 149 R N -0.540 119.953 120.500 -0.012 0.000 2.083 149 R HA -0.125 4.204 4.340 -0.018 0.000 0.237 149 R C 2.314 178.579 176.300 -0.059 0.000 1.137 149 R CA 1.540 57.605 56.100 -0.058 0.000 0.951 149 R CB -0.512 29.726 30.300 -0.105 0.000 0.851 149 R HN 0.404 nan 8.270 nan 0.000 0.434 150 L N 0.302 121.470 121.223 -0.091 0.000 2.043 150 L HA -0.238 4.091 4.340 -0.018 0.000 0.212 150 L C 2.361 179.159 176.870 -0.121 0.000 1.075 150 L CA 0.901 55.628 54.840 -0.188 0.000 0.752 150 L CB -0.442 41.330 42.059 -0.479 0.000 0.891 150 L HN 0.227 nan 8.230 nan 0.000 0.432 151 L N -0.110 121.161 121.223 0.079 0.000 2.017 151 L HA -0.211 4.118 4.340 -0.018 0.000 0.208 151 L C 2.480 179.406 176.870 0.092 0.000 1.073 151 L CA 1.826 56.837 54.840 0.286 0.000 0.745 151 L CB -0.527 41.715 42.059 0.304 0.000 0.894 151 L HN 0.088 nan 8.230 nan 0.000 0.432 152 K N -0.666 119.695 120.400 -0.065 0.000 2.057 152 K HA -0.105 4.204 4.320 -0.018 0.000 0.207 152 K C 1.997 178.399 176.600 -0.330 0.000 1.049 152 K CA 1.235 57.288 56.287 -0.389 0.000 0.931 152 K CB -0.715 31.506 32.500 -0.465 0.000 0.714 152 K HN 0.565 nan 8.250 nan 0.000 0.440 153 G N 0.915 109.649 108.800 -0.111 0.000 2.418 153 G HA2 -0.265 3.684 3.960 -0.018 0.000 0.217 153 G HA3 -0.265 3.684 3.960 -0.018 0.000 0.217 153 G C 1.337 176.227 174.900 -0.015 0.000 1.158 153 G CA 0.376 45.473 45.100 -0.005 0.000 0.771 153 G HN 0.204 nan 8.290 nan 0.000 0.545 154 F N 1.239 121.041 119.950 -0.247 0.000 2.095 154 F HA -0.008 4.510 4.527 -0.016 0.000 0.298 154 F C 2.504 178.187 175.800 -0.195 0.000 1.104 154 F CA 1.293 59.035 58.000 -0.431 0.000 1.232 154 F CB -0.246 38.557 39.000 -0.328 0.000 0.987 154 F HN 0.045 nan 8.300 nan 0.000 0.475 155 L N -0.040 121.165 121.223 -0.030 0.000 2.027 155 L HA -0.222 4.107 4.340 -0.018 0.000 0.206 155 L C 2.500 179.348 176.870 -0.037 0.000 1.074 155 L CA 1.837 56.626 54.840 -0.085 0.000 0.745 155 L CB -0.752 41.264 42.059 -0.072 0.000 0.898 155 L HN 0.081 nan 8.230 nan 0.000 0.433 156 K N 0.373 120.761 120.400 -0.019 0.000 2.057 156 K HA -0.151 4.158 4.320 -0.018 0.000 0.206 156 K C 2.150 178.748 176.600 -0.004 0.000 1.050 156 K CA 1.278 57.606 56.287 0.069 0.000 0.935 156 K CB -0.143 32.391 32.500 0.057 0.000 0.715 156 K HN 0.238 nan 8.250 nan 0.000 0.439 157 A N 1.202 123.977 122.820 -0.075 0.000 1.978 157 A HA -0.141 4.168 4.320 -0.018 0.000 0.220 157 A C 1.341 178.845 177.584 -0.133 0.000 1.170 157 A CA 1.652 53.632 52.037 -0.095 0.000 0.636 157 A CB -0.401 18.521 19.000 -0.131 0.000 0.810 157 A HN 0.411 nan 8.150 nan 0.000 0.448 158 N N -0.465 118.121 118.700 -0.190 0.000 2.327 158 N HA 0.190 4.920 4.740 -0.018 0.000 0.231 158 N C 0.897 176.363 175.510 -0.074 0.000 1.130 158 N CA 0.722 53.669 53.050 -0.172 0.000 0.845 158 N CB 0.307 38.630 38.487 -0.274 0.000 1.073 158 N HN 0.570 nan 8.380 nan 0.000 0.496 159 G N 1.966 110.749 108.800 -0.029 0.000 2.258 159 G HA2 -0.266 3.683 3.960 -0.018 0.000 0.274 159 G HA3 -0.266 3.683 3.960 -0.018 0.000 0.274 159 G C 0.550 175.476 174.900 0.044 0.000 1.021 159 G CA 0.739 45.847 45.100 0.014 0.000 0.798 159 G HN 0.606 nan 8.290 nan 0.000 0.507 160 I N -4.460 116.151 120.570 0.068 0.000 3.658 160 I HA 0.471 4.630 4.170 -0.018 0.000 0.328 160 I C 1.319 177.560 176.117 0.206 0.000 1.567 160 I CA -0.990 60.384 61.300 0.124 0.000 1.078 160 I CB -0.151 37.933 38.000 0.140 0.000 1.267 160 I HN -0.001 nan 8.210 nan 0.000 0.495 161 Y N 2.939 123.265 120.300 0.043 0.000 2.159 161 Y HA 0.437 4.976 4.550 -0.018 0.000 0.285 161 Y C 1.815 177.778 175.900 0.105 0.000 1.106 161 Y CA 0.666 58.808 58.100 0.069 0.000 1.095 161 Y CB -0.783 37.707 38.460 0.050 0.000 1.015 161 Y HN 0.185 nan 8.280 nan 0.000 0.491 162 G N -0.129 108.462 108.800 -0.349 0.000 2.647 162 G HA2 0.282 4.231 3.960 -0.018 0.000 0.234 162 G HA3 0.282 4.231 3.960 -0.018 0.000 0.234 162 G C 0.492 175.266 174.900 -0.210 0.000 1.252 162 G CA 0.127 44.971 45.100 -0.426 0.000 0.846 162 G HN 0.735 nan 8.290 nan 0.000 0.589 163 A N 0.412 123.109 122.820 -0.206 0.000 2.348 163 A HA 0.269 4.578 4.320 -0.018 0.000 0.224 163 A C 1.228 178.687 177.584 -0.209 0.000 1.227 163 A CA 0.208 52.144 52.037 -0.168 0.000 0.885 163 A CB -0.159 18.754 19.000 -0.144 0.000 0.933 163 A HN 0.747 nan 8.150 nan 0.000 0.506 164 E N -0.508 119.586 120.200 -0.177 0.000 2.392 164 E HA -0.001 4.338 4.350 -0.018 0.000 0.256 164 E C -0.049 176.446 176.600 -0.175 0.000 1.145 164 E CA -0.293 56.005 56.400 -0.170 0.000 0.929 164 E CB 0.149 29.797 29.700 -0.086 0.000 0.998 164 E HN 0.437 nan 8.360 nan 0.000 0.442 165 Y N 0.209 120.484 120.300 -0.041 0.000 2.384 165 Y HA -0.190 4.349 4.550 -0.018 0.000 0.289 165 Y C 2.653 178.507 175.900 -0.077 0.000 1.152 165 Y CA 1.766 59.852 58.100 -0.023 0.000 1.258 165 Y CB -0.072 38.404 38.460 0.027 0.000 0.979 165 Y HN 0.551 nan 8.280 nan 0.000 0.549 166 K N -0.257 120.084 120.400 -0.099 0.000 2.217 166 K HA -0.098 4.211 4.320 -0.018 0.000 0.202 166 K C 1.350 177.859 176.600 -0.152 0.000 1.051 166 K CA 1.344 57.386 56.287 -0.410 0.000 0.952 166 K CB 0.103 32.201 32.500 -0.670 0.000 0.736 166 K HN 0.174 nan 8.250 nan 0.000 0.453 167 V N -0.278 119.587 119.914 -0.081 0.000 2.806 167 V HA 0.123 4.232 4.120 -0.018 0.000 0.239 167 V C 0.445 176.538 176.094 -0.000 0.000 1.113 167 V CA 0.136 62.416 62.300 -0.032 0.000 1.137 167 V CB -0.310 31.488 31.823 -0.041 0.000 0.865 167 V HN 0.308 nan 8.190 nan 0.000 0.482 168 R N 0.468 120.947 120.500 -0.035 0.000 3.332 168 R HA -0.150 4.179 4.340 -0.018 0.000 0.263 168 R C 0.480 176.764 176.300 -0.027 0.000 1.053 168 R CA 0.345 56.418 56.100 -0.045 0.000 0.705 168 R CB -1.658 28.656 30.300 0.025 0.000 1.166 168 R HN 0.668 nan 8.270 nan 0.000 0.427 169 G N -0.439 108.353 108.800 -0.014 0.000 3.135 169 G HA2 0.604 4.553 3.960 -0.018 0.000 0.159 169 G HA3 0.604 4.553 3.960 -0.018 0.000 0.159 169 G C -0.835 174.098 174.900 0.054 0.000 1.244 169 G CA -0.760 44.405 45.100 0.108 0.000 0.965 169 G HN 0.070 nan 8.290 nan 0.000 0.599 170 F N 2.157 122.083 119.950 -0.041 0.000 2.368 170 F HA 0.382 4.897 4.527 -0.020 0.000 0.362 170 F C 1.418 177.222 175.800 0.007 0.000 1.137 170 F CA -1.174 56.820 58.000 -0.010 0.000 1.161 170 F CB 0.519 39.542 39.000 0.039 0.000 1.265 170 F HN 0.327 nan 8.300 nan 0.000 0.530 171 S N 1.341 117.085 115.700 0.073 0.000 2.572 171 S HA 0.195 4.654 4.470 -0.018 0.000 0.267 171 S C 1.539 176.266 174.600 0.211 0.000 1.361 171 S CA -0.288 57.936 58.200 0.040 0.000 1.009 171 S CB 0.890 64.113 63.200 0.038 0.000 0.888 171 S HN 0.751 nan 8.310 nan 0.000 0.553 172 G N 0.564 109.500 108.800 0.227 0.000 2.480 172 G HA2 -0.256 3.694 3.960 -0.018 0.000 0.216 172 G HA3 -0.256 3.694 3.960 -0.018 0.000 0.216 172 G C 1.149 176.246 174.900 0.330 0.000 1.200 172 G CA 1.088 46.418 45.100 0.383 0.000 0.782 172 G HN 0.863 nan 8.290 nan 0.000 0.554 173 Y N 1.073 121.449 120.300 0.126 0.000 2.181 173 Y HA -0.170 4.370 4.550 -0.016 0.000 0.284 173 Y C 2.451 178.383 175.900 0.052 0.000 1.179 173 Y CA 1.535 59.673 58.100 0.064 0.000 1.179 173 Y CB -0.515 37.926 38.460 -0.032 0.000 0.973 173 Y HN 0.153 nan 8.280 nan 0.000 0.519 174 L N -0.347 120.875 121.223 -0.003 0.000 2.046 174 L HA -0.198 4.131 4.340 -0.018 0.000 0.208 174 L C 2.435 179.340 176.870 0.058 0.000 1.077 174 L CA 1.964 56.749 54.840 -0.091 0.000 0.747 174 L CB -1.409 40.643 42.059 -0.013 0.000 0.896 174 L HN 0.377 nan 8.230 nan 0.000 0.432 175 C N -0.190 119.232 119.300 0.203 0.000 2.413 175 C HA -0.151 4.299 4.460 -0.018 0.000 0.276 175 C C 2.610 177.715 174.990 0.192 0.000 1.248 175 C CA 1.040 60.202 59.018 0.240 0.000 1.742 175 C CB -0.955 26.942 27.740 0.262 0.000 2.017 175 C HN 0.590 nan 8.230 nan 0.000 0.481 176 E N 0.369 120.668 120.200 0.165 0.000 2.107 176 E HA -0.115 4.224 4.350 -0.018 0.000 0.191 176 E C 2.122 178.805 176.600 0.139 0.000 0.982 176 E CA 0.854 57.357 56.400 0.172 0.000 0.809 176 E CB -0.155 29.681 29.700 0.227 0.000 0.756 176 E HN 0.624 nan 8.360 nan 0.000 0.459 177 L N 0.723 121.938 121.223 -0.012 0.000 2.083 177 L HA -0.200 4.129 4.340 -0.018 0.000 0.209 177 L C 2.430 179.351 176.870 0.085 0.000 1.083 177 L CA 0.861 55.670 54.840 -0.052 0.000 0.752 177 L CB -0.340 41.486 42.059 -0.389 0.000 0.899 177 L HN 0.210 nan 8.230 nan 0.000 0.433 178 L N -0.655 120.646 121.223 0.130 0.000 2.093 178 L HA -0.218 4.111 4.340 -0.018 0.000 0.208 178 L C 2.500 179.585 176.870 0.359 0.000 1.085 178 L CA 0.830 55.841 54.840 0.285 0.000 0.755 178 L CB -0.315 41.987 42.059 0.406 0.000 0.904 178 L HN 0.253 nan 8.230 nan 0.000 0.435 179 I N -0.687 120.050 120.570 0.279 0.000 2.394 179 I HA -0.178 3.981 4.170 -0.018 0.000 0.251 179 I C 2.464 178.712 176.117 0.220 0.000 1.136 179 I CA 1.164 62.616 61.300 0.254 0.000 1.425 179 I CB -0.781 37.338 38.000 0.199 0.000 1.079 179 I HN 0.062 nan 8.210 nan 0.000 0.425 180 V N 0.183 120.228 119.914 0.218 0.000 2.759 180 V HA -0.240 3.869 4.120 -0.018 0.000 0.256 180 V C 2.196 178.398 176.094 0.180 0.000 1.080 180 V CA 1.365 63.781 62.300 0.194 0.000 1.101 180 V CB -0.687 31.305 31.823 0.281 0.000 0.698 180 V HN 0.243 nan 8.190 nan 0.000 0.477 181 F N -0.454 119.501 119.950 0.009 0.000 2.188 181 F HA -0.008 4.506 4.527 -0.022 0.000 0.289 181 F C 2.054 177.726 175.800 -0.214 0.000 1.082 181 F CA 1.405 59.306 58.000 -0.165 0.000 1.282 181 F CB -0.041 38.735 39.000 -0.372 0.000 1.060 181 F HN 0.136 nan 8.300 nan 0.000 0.493 182 Y N -0.171 120.316 120.300 0.311 0.000 2.510 182 Y HA 0.284 4.825 4.550 -0.016 0.000 0.273 182 Y C 2.110 178.057 175.900 0.080 0.000 1.119 182 Y CA 0.473 58.680 58.100 0.178 0.000 1.286 182 Y CB -0.186 38.406 38.460 0.219 0.000 1.061 182 Y HN 0.258 nan 8.280 nan 0.000 0.542 183 G N -0.092 108.832 108.800 0.207 0.000 2.299 183 G HA2 -0.255 3.694 3.960 -0.018 0.000 0.237 183 G HA3 -0.255 3.694 3.960 -0.018 0.000 0.237 183 G C 0.333 175.309 174.900 0.126 0.000 1.027 183 G CA 0.356 45.532 45.100 0.125 0.000 0.619 183 G HN 0.746 nan 8.290 nan 0.000 0.513 184 S N -1.643 114.151 115.700 0.157 0.000 2.615 184 S HA 0.596 5.056 4.470 -0.018 0.000 0.268 184 S C 0.345 175.031 174.600 0.143 0.000 1.146 184 S CA 0.334 58.618 58.200 0.140 0.000 0.818 184 S CB 0.759 64.020 63.200 0.101 0.000 1.111 184 S HN 1.336 nan 8.310 nan 0.000 0.465 185 F N 1.214 121.167 119.950 0.005 0.000 2.126 185 F HA -0.026 4.493 4.527 -0.014 0.000 0.299 185 F C 1.764 177.483 175.800 -0.136 0.000 1.096 185 F CA 1.959 59.923 58.000 -0.060 0.000 1.255 185 F CB -0.272 38.679 39.000 -0.082 0.000 0.997 185 F HN 0.571 nan 8.300 nan 0.000 0.479 186 L N 0.986 122.146 121.223 -0.106 0.000 1.989 186 L HA -0.202 4.127 4.340 -0.018 0.000 0.211 186 L C 2.371 179.060 176.870 -0.302 0.000 1.071 186 L CA 1.923 56.627 54.840 -0.227 0.000 0.749 186 L CB -1.097 40.962 42.059 -0.001 0.000 0.890 186 L HN 0.129 nan 8.230 nan 0.000 0.431 187 E N -0.853 119.249 120.200 -0.164 0.000 2.153 187 E HA -0.166 4.173 4.350 -0.018 0.000 0.194 187 E C 2.053 178.414 176.600 -0.400 0.000 0.988 187 E CA 1.623 57.928 56.400 -0.158 0.000 0.811 187 E CB -0.408 29.316 29.700 0.040 0.000 0.746 187 E HN 0.561 nan 8.360 nan 0.000 0.466 188 T N 1.055 115.375 114.554 -0.389 0.000 2.643 188 T HA -0.103 4.236 4.350 -0.018 0.000 0.264 188 T C 2.178 176.439 174.700 -0.732 0.000 1.045 188 T CA 1.328 63.092 62.100 -0.560 0.000 1.155 188 T CB -0.393 68.388 68.868 -0.144 0.000 0.863 188 T HN -0.026 nan 8.240 nan 0.000 0.420 189 V N 1.700 121.132 119.914 -0.803 0.000 2.332 189 V HA -0.219 3.890 4.120 -0.018 0.000 0.248 189 V C 2.505 178.194 176.094 -0.674 0.000 1.055 189 V CA 1.658 63.425 62.300 -0.889 0.000 1.038 189 V CB -0.520 30.611 31.823 -1.152 0.000 0.651 189 V HN 0.485 nan 8.190 nan 0.000 0.450 190 K N -0.078 120.007 120.400 -0.525 0.000 2.057 190 K HA -0.146 4.163 4.320 -0.018 0.000 0.207 190 K C 1.959 178.331 176.600 -0.380 0.000 1.049 190 K CA 1.551 57.615 56.287 -0.371 0.000 0.931 190 K CB -0.282 32.066 32.500 -0.254 0.000 0.714 190 K HN 0.505 nan 8.250 nan 0.000 0.440 191 N N 0.604 119.007 118.700 -0.495 0.000 2.333 191 N HA -0.046 4.683 4.740 -0.018 0.000 0.178 191 N C 1.749 176.882 175.510 -0.629 0.000 1.018 191 N CA 0.748 53.548 53.050 -0.417 0.000 0.882 191 N CB 0.067 38.298 38.487 -0.426 0.000 0.984 191 N HN 0.130 nan 8.380 nan 0.000 0.434 192 A N 1.942 124.115 122.820 -1.077 0.000 2.019 192 A HA -0.110 4.199 4.320 -0.018 0.000 0.219 192 A C 2.133 179.224 177.584 -0.821 0.000 1.164 192 A CA 0.874 51.877 52.037 -1.723 0.000 0.644 192 A CB -0.397 17.696 19.000 -1.512 0.000 0.805 192 A HN 0.225 nan 8.150 nan 0.000 0.449 193 R N -0.719 119.456 120.500 -0.542 0.000 2.159 193 R HA -0.093 4.236 4.340 -0.018 0.000 0.237 193 R C 1.067 177.287 176.300 -0.133 0.000 1.131 193 R CA 1.147 57.069 56.100 -0.297 0.000 0.982 193 R CB -0.130 30.021 30.300 -0.248 0.000 0.868 193 R HN 0.358 nan 8.270 nan 0.000 0.453 194 R N -0.724 119.720 120.500 -0.093 0.000 2.427 194 R HA 0.058 4.387 4.340 -0.018 0.000 0.262 194 R C -0.280 176.182 176.300 0.271 0.000 0.943 194 R CA -0.102 56.045 56.100 0.077 0.000 1.081 194 R CB 0.111 30.466 30.300 0.092 0.000 1.166 194 R HN 0.051 nan 8.270 nan 0.000 0.534 195 W N 2.344 123.717 121.300 0.122 0.000 2.150 195 W HA 0.167 4.820 4.660 -0.012 0.000 0.341 195 W C 1.270 177.885 176.519 0.160 0.000 1.276 195 W CA -0.346 57.116 57.345 0.195 0.000 1.238 195 W CB 0.356 29.988 29.460 0.286 0.000 1.128 195 W HN -0.034 nan 8.180 nan 0.000 0.581 196 T N -1.158 113.635 114.554 0.399 0.000 2.831 196 T HA 0.467 4.806 4.350 -0.018 0.000 0.287 196 T C 0.767 175.617 174.700 0.249 0.000 1.070 196 T CA -0.979 61.273 62.100 0.254 0.000 1.010 196 T CB 1.687 70.665 68.868 0.183 0.000 1.264 196 T HN 0.510 nan 8.240 nan 0.000 0.532 197 R N -0.135 120.469 120.500 0.173 0.000 2.313 197 R HA 0.218 4.547 4.340 -0.018 0.000 0.199 197 R C 0.849 177.249 176.300 0.166 0.000 0.958 197 R CA -0.142 56.055 56.100 0.161 0.000 1.047 197 R CB -0.041 30.320 30.300 0.102 0.000 0.955 197 R HN 0.304 nan 8.270 nan 0.000 0.481 198 R N 0.561 121.149 120.500 0.147 0.000 2.476 198 R HA 0.157 4.486 4.340 -0.018 0.000 0.276 198 R C -0.315 176.018 176.300 0.055 0.000 0.941 198 R CA 0.056 56.211 56.100 0.092 0.000 1.088 198 R CB 1.081 31.422 30.300 0.069 0.000 1.216 198 R HN 0.049 nan 8.270 nan 0.000 0.533 199 T N 1.796 116.400 114.554 0.083 0.000 2.834 199 T HA 0.237 4.576 4.350 -0.018 0.000 0.298 199 T C 0.128 174.635 174.700 -0.321 0.000 0.966 199 T CA 0.191 62.255 62.100 -0.059 0.000 1.141 199 T CB 1.605 70.464 68.868 -0.015 0.000 0.905 199 T HN -0.227 nan 8.240 nan 0.000 0.535 200 V N 5.485 125.231 119.914 -0.280 0.000 2.495 200 V HA 0.491 4.600 4.120 -0.018 0.000 0.298 200 V C -0.065 175.809 176.094 -0.367 0.000 1.031 200 V CA -0.825 61.274 62.300 -0.335 0.000 0.871 200 V CB 1.642 33.334 31.823 -0.218 0.000 0.988 200 V HN 0.779 nan 8.190 nan 0.000 0.432 201 I N 3.814 124.088 120.570 -0.494 0.000 2.382 201 I HA 0.378 4.537 4.170 -0.018 0.000 0.285 201 I C -0.737 175.137 176.117 -0.406 0.000 1.007 201 I CA -0.196 60.764 61.300 -0.567 0.000 1.142 201 I CB 1.654 39.154 38.000 -0.834 0.000 1.289 201 I HN 0.541 nan 8.210 nan 0.000 0.453 202 D N 6.793 127.050 120.400 -0.238 0.000 2.477 202 D HA 0.193 4.822 4.640 -0.018 0.000 0.239 202 D C 0.999 177.325 176.300 0.044 0.000 1.102 202 D CA -0.408 53.530 54.000 -0.104 0.000 0.901 202 D CB 1.497 42.260 40.800 -0.062 0.000 1.026 202 D HN 0.273 nan 8.370 nan 0.000 0.515 203 V N 3.586 123.503 119.914 0.005 0.000 2.252 203 V HA -0.295 3.814 4.120 -0.018 0.000 0.249 203 V C 2.683 178.920 176.094 0.237 0.000 1.056 203 V CA 2.152 64.588 62.300 0.226 0.000 1.022 203 V CB -1.153 30.711 31.823 0.067 0.000 0.641 203 V HN 0.590 nan 8.190 nan 0.000 0.445 204 A N -0.058 122.834 122.820 0.120 0.000 1.917 204 A HA -0.264 4.045 4.320 -0.018 0.000 0.219 204 A C 2.220 179.887 177.584 0.139 0.000 1.182 204 A CA 2.268 54.406 52.037 0.168 0.000 0.633 204 A CB -0.471 18.572 19.000 0.072 0.000 0.819 204 A HN 0.622 nan 8.150 nan 0.000 0.448 205 K N -1.291 119.168 120.400 0.098 0.000 2.404 205 K HA 0.253 4.562 4.320 -0.018 0.000 0.194 205 K C 0.809 177.458 176.600 0.081 0.000 1.023 205 K CA 0.363 56.693 56.287 0.073 0.000 1.094 205 K CB -0.011 32.512 32.500 0.039 0.000 0.841 205 K HN 0.597 nan 8.250 nan 0.000 0.523 206 G N 3.007 111.883 108.800 0.126 0.000 2.395 206 G HA2 -0.305 3.645 3.960 -0.018 0.000 0.300 206 G HA3 -0.305 3.645 3.960 -0.018 0.000 0.300 206 G C -0.364 174.578 174.900 0.070 0.000 0.998 206 G CA 0.871 45.993 45.100 0.036 0.000 1.046 206 G HN 0.482 nan 8.290 nan 0.000 0.513 207 E N -1.289 119.064 120.200 0.254 0.000 2.408 207 E HA 0.638 4.978 4.350 -0.018 0.000 0.275 207 E C -1.066 175.684 176.600 0.250 0.000 0.935 207 E CA -0.992 55.532 56.400 0.206 0.000 0.775 207 E CB 2.312 32.064 29.700 0.087 0.000 1.277 207 E HN 0.261 nan 8.360 nan 0.000 0.455 208 V N 3.743 123.770 119.914 0.188 0.000 2.483 208 V HA 0.544 4.654 4.120 -0.018 0.000 0.297 208 V C -0.194 175.928 176.094 0.046 0.000 1.027 208 V CA -0.625 61.734 62.300 0.097 0.000 0.855 208 V CB 1.228 33.166 31.823 0.192 0.000 0.995 208 V HN 0.720 nan 8.190 nan 0.000 0.424 209 R N 3.114 123.602 120.500 -0.020 0.000 2.987 209 R HA 0.730 5.059 4.340 -0.018 0.000 0.248 209 R C -0.915 175.365 176.300 -0.033 0.000 1.264 209 R CA -1.127 54.961 56.100 -0.019 0.000 1.026 209 R CB 1.649 31.926 30.300 -0.038 0.000 1.286 209 R HN 0.324 nan 8.270 nan 0.000 0.483 210 K N 0.339 120.726 120.400 -0.023 0.000 2.235 210 K HA 0.416 4.725 4.320 -0.018 0.000 0.266 210 K C -0.851 175.727 176.600 -0.036 0.000 0.980 210 K CA -0.310 55.968 56.287 -0.014 0.000 0.849 210 K CB 1.729 34.235 32.500 0.011 0.000 1.098 210 K HN 0.814 nan 8.250 nan 0.000 0.445 211 G N 2.239 111.016 108.800 -0.039 0.000 3.217 211 G HA2 0.217 4.166 3.960 -0.018 0.000 0.213 211 G HA3 0.217 4.166 3.960 -0.018 0.000 0.213 211 G C -0.003 174.893 174.900 -0.007 0.000 1.294 211 G CA -0.245 44.825 45.100 -0.049 0.000 0.987 211 G HN 0.624 nan 8.290 nan 0.000 0.584 212 E N -0.459 119.743 120.200 0.003 0.000 2.415 212 E HA 0.151 4.490 4.350 -0.018 0.000 0.197 212 E C 0.317 176.953 176.600 0.058 0.000 1.007 212 E CA 0.456 56.873 56.400 0.029 0.000 0.890 212 E CB 0.357 30.071 29.700 0.023 0.000 0.891 212 E HN 0.620 nan 8.360 nan 0.000 0.496 213 E N -0.533 119.716 120.200 0.081 0.000 2.449 213 E HA 0.199 4.538 4.350 -0.018 0.000 0.278 213 E C -1.033 175.654 176.600 0.145 0.000 0.992 213 E CA -0.986 55.485 56.400 0.119 0.000 0.807 213 E CB 0.654 30.429 29.700 0.124 0.000 1.350 213 E HN -0.128 nan 8.360 nan 0.000 0.462 214 F N 1.778 121.721 119.950 -0.012 0.000 2.533 214 F HA 0.373 4.888 4.527 -0.021 0.000 0.378 214 F C -1.157 174.608 175.800 -0.059 0.000 1.070 214 F CA 0.010 57.963 58.000 -0.079 0.000 1.172 214 F CB 0.153 39.071 39.000 -0.137 0.000 1.085 214 F HN 0.416 nan 8.300 nan 0.000 0.552 215 F N 6.450 126.025 119.950 -0.625 0.000 2.562 215 F HA 0.540 5.055 4.527 -0.020 0.000 0.319 215 F C -1.592 173.818 175.800 -0.650 0.000 1.154 215 F CA -0.945 56.763 58.000 -0.485 0.000 0.931 215 F CB 1.316 40.149 39.000 -0.278 0.000 1.198 215 F HN 0.074 nan 8.300 nan 0.000 0.444 216 V N 7.051 126.714 119.914 -0.419 0.000 2.328 216 V HA 0.261 4.370 4.120 -0.018 0.000 0.278 216 V C -0.243 175.771 176.094 -0.135 0.000 1.021 216 V CA -0.864 61.208 62.300 -0.381 0.000 0.838 216 V CB 1.215 32.745 31.823 -0.488 0.000 0.999 216 V HN 0.585 nan 8.190 nan 0.000 0.447 217 V N 2.288 122.213 119.914 0.020 0.000 2.508 217 V HA 0.377 4.486 4.120 -0.018 0.000 0.281 217 V C 0.295 176.332 176.094 -0.095 0.000 1.041 217 V CA -0.281 62.080 62.300 0.102 0.000 1.016 217 V CB 1.377 33.216 31.823 0.026 0.000 0.984 217 V HN 0.824 nan 8.190 nan 0.000 0.478 218 D N 6.541 126.905 120.400 -0.060 0.000 2.401 218 D HA 0.231 4.860 4.640 -0.018 0.000 0.254 218 D C -1.601 174.585 176.300 -0.190 0.000 1.192 218 D CA -1.770 52.159 54.000 -0.118 0.000 0.885 218 D CB 1.842 42.661 40.800 0.031 0.000 1.147 218 D HN 0.449 nan 8.370 nan 0.000 0.478 219 P HA -0.130 nan 4.420 nan 0.000 0.219 219 P C 1.179 178.283 177.300 -0.326 0.000 1.146 219 P CA 0.578 63.324 63.100 -0.591 0.000 0.808 219 P CB 0.377 31.041 31.700 -1.726 0.000 0.779 220 V N -1.553 118.252 119.914 -0.182 0.000 3.406 220 V HA 0.045 4.154 4.120 -0.018 0.000 0.263 220 V C 0.626 176.695 176.094 -0.041 0.000 1.172 220 V CA 0.966 63.248 62.300 -0.032 0.000 1.140 220 V CB -0.518 31.384 31.823 0.132 0.000 0.784 220 V HN 0.116 nan 8.190 nan 0.000 0.467 221 D N -0.204 120.185 120.400 -0.018 0.000 2.318 221 D HA 0.112 4.741 4.640 -0.018 0.000 0.233 221 D C 0.855 177.162 176.300 0.013 0.000 1.348 221 D CA -0.160 53.835 54.000 -0.009 0.000 0.983 221 D CB 1.194 42.003 40.800 0.014 0.000 1.416 221 D HN -0.052 nan 8.370 nan 0.000 0.558 222 E N 1.455 121.651 120.200 -0.007 0.000 2.273 222 E HA -0.167 4.172 4.350 -0.018 0.000 0.198 222 E C 1.213 177.834 176.600 0.034 0.000 1.002 222 E CA 0.816 57.212 56.400 -0.007 0.000 0.828 222 E CB 0.315 29.990 29.700 -0.041 0.000 0.747 222 E HN 0.395 nan 8.360 nan 0.000 0.491 223 K N 0.623 121.056 120.400 0.054 0.000 2.418 223 K HA 0.032 4.341 4.320 -0.018 0.000 0.195 223 K C 0.832 177.564 176.600 0.220 0.000 1.035 223 K CA 0.013 56.361 56.287 0.101 0.000 1.003 223 K CB 0.100 32.630 32.500 0.051 0.000 0.793 223 K HN -0.073 nan 8.250 nan 0.000 0.494 224 R N 1.879 122.486 120.500 0.179 0.000 2.312 224 R HA 0.113 4.442 4.340 -0.018 0.000 0.311 224 R C -0.456 175.843 176.300 -0.003 0.000 1.004 224 R CA -0.296 55.865 56.100 0.102 0.000 0.902 224 R CB 0.485 30.827 30.300 0.069 0.000 1.073 224 R HN -0.160 nan 8.270 nan 0.000 0.457 225 N N 3.750 122.216 118.700 -0.390 0.000 2.439 225 N HA 0.061 4.790 4.740 -0.018 0.000 0.249 225 N C 0.345 175.563 175.510 -0.485 0.000 1.003 225 N CA -0.219 52.227 53.050 -1.007 0.000 0.942 225 N CB 1.399 38.931 38.487 -1.592 0.000 1.115 225 N HN 0.429 nan 8.380 nan 0.000 0.505 226 V N 2.841 122.532 119.914 -0.371 0.000 2.594 226 V HA -0.123 3.986 4.120 -0.018 0.000 0.253 226 V C 1.610 177.557 176.094 -0.246 0.000 1.069 226 V CA 2.070 64.226 62.300 -0.240 0.000 1.082 226 V CB -0.720 30.923 31.823 -0.300 0.000 0.680 226 V HN 0.793 nan 8.190 nan 0.000 0.469 227 A N -0.765 121.865 122.820 -0.317 0.000 2.610 227 A HA 0.651 4.960 4.320 -0.018 0.000 0.286 227 A C 1.962 179.404 177.584 -0.237 0.000 1.306 227 A CA 0.611 52.495 52.037 -0.255 0.000 0.942 227 A CB -0.201 18.712 19.000 -0.146 0.000 1.112 227 A HN 0.402 nan 8.150 nan 0.000 0.527 228 A N 0.917 123.575 122.820 -0.269 0.000 1.892 228 A HA -0.224 4.085 4.320 -0.018 0.000 0.218 228 A C 1.645 179.134 177.584 -0.158 0.000 1.188 228 A CA 2.035 53.937 52.037 -0.225 0.000 0.631 228 A CB -0.392 18.487 19.000 -0.201 0.000 0.822 228 A HN 0.506 nan 8.150 nan 0.000 0.447 229 N N -0.843 117.749 118.700 -0.180 0.000 2.295 229 N HA 0.175 4.904 4.740 -0.018 0.000 0.221 229 N C -0.449 174.960 175.510 -0.169 0.000 1.129 229 N CA -0.225 52.713 53.050 -0.186 0.000 0.836 229 N CB -0.288 38.010 38.487 -0.315 0.000 1.040 229 N HN 0.362 nan 8.380 nan 0.000 0.494 230 L N 1.326 122.441 121.223 -0.180 0.000 2.261 230 L HA 0.385 4.714 4.340 -0.018 0.000 0.289 230 L C 0.370 177.159 176.870 -0.136 0.000 1.059 230 L CA -0.458 54.255 54.840 -0.212 0.000 0.816 230 L CB 0.256 42.081 42.059 -0.390 0.000 1.191 230 L HN 0.134 nan 8.230 nan 0.000 0.431 231 S N 4.062 119.719 115.700 -0.071 0.000 2.584 231 S HA 0.064 4.523 4.470 -0.018 0.000 0.270 231 S C 1.142 175.717 174.600 -0.041 0.000 1.346 231 S CA -0.271 57.914 58.200 -0.025 0.000 1.018 231 S CB 0.702 63.913 63.200 0.019 0.000 0.899 231 S HN 0.787 nan 8.310 nan 0.000 0.542 232 L N 0.972 122.186 121.223 -0.016 0.000 2.012 232 L HA -0.066 4.263 4.340 -0.018 0.000 0.210 232 L C 1.755 178.626 176.870 0.001 0.000 1.073 232 L CA 2.072 56.904 54.840 -0.014 0.000 0.748 232 L CB -1.254 40.812 42.059 0.010 0.000 0.891 232 L HN 0.771 nan 8.230 nan 0.000 0.431 233 D N -0.706 119.702 120.400 0.014 0.000 2.178 233 D HA -0.148 4.481 4.640 -0.018 0.000 0.202 233 D C 1.907 178.237 176.300 0.049 0.000 0.974 233 D CA 1.318 55.333 54.000 0.024 0.000 0.841 233 D CB -0.249 40.559 40.800 0.014 0.000 0.953 233 D HN 0.574 nan 8.370 nan 0.000 0.478 234 N N -0.068 118.665 118.700 0.054 0.000 2.354 234 N HA -0.066 4.663 4.740 -0.018 0.000 0.179 234 N C 1.746 177.363 175.510 0.178 0.000 1.021 234 N CA -0.037 53.080 53.050 0.112 0.000 0.887 234 N CB 0.184 38.734 38.487 0.105 0.000 0.974 234 N HN 0.020 nan 8.380 nan 0.000 0.437 235 L N 1.197 122.460 121.223 0.066 0.000 2.056 235 L HA 0.051 4.380 4.340 -0.018 0.000 0.207 235 L C 2.128 179.109 176.870 0.184 0.000 1.078 235 L CA 1.370 56.234 54.840 0.039 0.000 0.749 235 L CB -0.745 41.167 42.059 -0.245 0.000 0.901 235 L HN 0.008 nan 8.230 nan 0.000 0.433 236 A N -0.040 122.851 122.820 0.120 0.000 1.902 236 A HA -0.199 4.110 4.320 -0.018 0.000 0.217 236 A C 2.413 180.098 177.584 0.168 0.000 1.181 236 A CA 1.775 53.890 52.037 0.129 0.000 0.623 236 A CB -0.559 18.485 19.000 0.074 0.000 0.818 236 A HN 0.533 nan 8.150 nan 0.000 0.443 237 R N -1.997 118.601 120.500 0.165 0.000 2.096 237 R HA -0.118 4.211 4.340 -0.018 0.000 0.235 237 R C 2.003 178.445 176.300 0.236 0.000 1.127 237 R CA 1.562 57.764 56.100 0.170 0.000 0.968 237 R CB -0.510 29.866 30.300 0.127 0.000 0.861 237 R HN 0.586 nan 8.270 nan 0.000 0.440 238 F N 1.256 121.288 119.950 0.136 0.000 2.102 238 F HA -0.177 4.342 4.527 -0.013 0.000 0.298 238 F C 2.051 177.909 175.800 0.097 0.000 1.105 238 F CA 1.196 59.269 58.000 0.122 0.000 1.239 238 F CB -0.321 38.802 39.000 0.204 0.000 0.991 238 F HN -0.294 nan 8.300 nan 0.000 0.474 239 V N 0.272 120.252 119.914 0.111 0.000 2.392 239 V HA -0.344 3.766 4.120 -0.018 0.000 0.249 239 V C 2.583 178.631 176.094 -0.076 0.000 1.059 239 V CA 2.365 64.630 62.300 -0.058 0.000 1.051 239 V CB -1.053 30.840 31.823 0.118 0.000 0.658 239 V HN 0.520 nan 8.190 nan 0.000 0.455 240 H N -0.443 118.606 119.070 -0.035 0.000 2.363 240 H HA -0.027 4.521 4.556 -0.014 0.000 0.301 240 H C 2.340 177.668 175.328 -0.001 0.000 1.074 240 H CA 1.560 57.600 56.048 -0.012 0.000 1.354 240 H CB 0.114 29.890 29.762 0.023 0.000 1.397 240 H HN 0.323 nan 8.280 nan 0.000 0.516 241 L N -0.075 121.181 121.223 0.054 0.000 2.042 241 L HA -0.256 4.073 4.340 -0.018 0.000 0.210 241 L C 3.028 179.920 176.870 0.038 0.000 1.076 241 L CA 1.270 56.186 54.840 0.127 0.000 0.749 241 L CB -0.441 41.691 42.059 0.122 0.000 0.893 241 L HN 0.387 nan 8.230 nan 0.000 0.432 242 C N -0.517 118.636 119.300 -0.244 0.000 2.422 242 C HA -0.141 4.308 4.460 -0.018 0.000 0.279 242 C C 2.873 177.707 174.990 -0.260 0.000 1.305 242 C CA 0.638 59.423 59.018 -0.389 0.000 1.757 242 C CB -1.019 26.287 27.740 -0.723 0.000 1.962 242 C HN 0.439 nan 8.230 nan 0.000 0.499 243 R N 0.648 120.997 120.500 -0.251 0.000 2.073 243 R HA -0.089 4.241 4.340 -0.018 0.000 0.229 243 R C 2.105 178.292 176.300 -0.189 0.000 1.120 243 R CA 1.194 57.159 56.100 -0.225 0.000 0.967 243 R CB -0.306 29.846 30.300 -0.247 0.000 0.862 243 R HN 0.647 nan 8.270 nan 0.000 0.436 244 E N 0.004 120.098 120.200 -0.177 0.000 2.150 244 E HA -0.187 4.152 4.350 -0.018 0.000 0.193 244 E C 1.644 178.222 176.600 -0.037 0.000 0.985 244 E CA 0.914 57.291 56.400 -0.039 0.000 0.814 244 E CB -0.106 29.668 29.700 0.122 0.000 0.752 244 E HN 0.215 nan 8.360 nan 0.000 0.466 245 F N 1.238 120.987 119.950 -0.336 0.000 2.113 245 F HA -0.167 4.347 4.527 -0.021 0.000 0.297 245 F C 2.149 177.725 175.800 -0.375 0.000 1.103 245 F CA 1.213 58.800 58.000 -0.689 0.000 1.248 245 F CB 0.032 38.570 39.000 -0.769 0.000 0.999 245 F HN -0.072 nan 8.300 nan 0.000 0.475 246 M N -0.032 119.416 119.600 -0.254 0.000 2.374 246 M HA -0.152 4.317 4.480 -0.018 0.000 0.264 246 M C 2.049 178.199 176.300 -0.250 0.000 1.067 246 M CA 1.258 56.406 55.300 -0.253 0.000 1.103 246 M CB -1.177 31.326 32.600 -0.160 0.000 1.402 246 M HN 0.371 nan 8.290 nan 0.000 0.444 247 E N 0.020 120.092 120.200 -0.214 0.000 2.086 247 E HA 0.072 4.411 4.350 -0.018 0.000 0.190 247 E C 0.054 176.562 176.600 -0.154 0.000 0.975 247 E CA 0.555 56.866 56.400 -0.149 0.000 0.813 247 E CB 0.414 30.053 29.700 -0.101 0.000 0.768 247 E HN 0.312 nan 8.360 nan 0.000 0.457 248 A N 1.884 124.593 122.820 -0.184 0.000 3.082 248 A HA 0.378 4.687 4.320 -0.018 0.000 0.328 248 A C -2.676 174.756 177.584 -0.254 0.000 1.089 248 A CA -1.282 50.673 52.037 -0.137 0.000 0.802 248 A CB 0.543 19.543 19.000 0.001 0.000 1.138 248 A HN -0.025 nan 8.150 nan 0.000 0.474 249 P HA 0.113 nan 4.420 nan 0.000 0.260 249 P C 0.001 177.177 177.300 -0.207 0.000 1.185 249 P CA 0.981 63.606 63.100 -0.792 0.000 0.763 249 P CB 0.792 32.123 31.700 -0.616 0.000 0.776 250 S N 2.938 118.701 115.700 0.106 0.000 2.541 250 S HA 0.312 4.771 4.470 -0.018 0.000 0.280 250 S C 0.423 175.364 174.600 0.567 0.000 1.112 250 S CA -0.667 57.754 58.200 0.368 0.000 0.925 250 S CB 0.816 64.288 63.200 0.452 0.000 1.067 250 S HN 0.250 nan 8.310 nan 0.000 0.479 251 L N 5.006 126.438 121.223 0.349 0.000 2.465 251 L HA 0.301 4.630 4.340 -0.018 0.000 0.224 251 L C 2.016 179.126 176.870 0.399 0.000 1.145 251 L CA 2.132 57.172 54.840 0.334 0.000 0.834 251 L CB -0.808 41.330 42.059 0.133 0.000 0.944 251 L HN 0.915 nan 8.230 nan 0.000 0.451 252 G N -1.014 107.985 108.800 0.332 0.000 2.408 252 G HA2 -0.284 3.665 3.960 -0.018 0.000 0.217 252 G HA3 -0.284 3.665 3.960 -0.018 0.000 0.217 252 G C 1.300 176.291 174.900 0.151 0.000 1.150 252 G CA 0.613 45.807 45.100 0.157 0.000 0.776 252 G HN 0.414 nan 8.290 nan 0.000 0.542 253 F N -0.045 120.033 119.950 0.213 0.000 2.373 253 F HA 0.091 4.611 4.527 -0.013 0.000 0.300 253 F C 1.458 177.110 175.800 -0.246 0.000 1.080 253 F CA 0.573 58.565 58.000 -0.013 0.000 1.417 253 F CB -0.186 38.917 39.000 0.173 0.000 1.070 253 F HN 0.092 nan 8.300 nan 0.000 0.546 254 F N -0.303 119.767 119.950 0.200 0.000 2.653 254 F HA 0.224 4.739 4.527 -0.021 0.000 0.304 254 F C 0.480 176.288 175.800 0.014 0.000 1.092 254 F CA -0.330 57.720 58.000 0.084 0.000 1.279 254 F CB -0.280 38.762 39.000 0.069 0.000 1.044 254 F HN -0.339 nan 8.300 nan 0.000 0.564 255 K N 1.218 121.692 120.400 0.124 0.000 2.274 255 K HA 0.389 4.698 4.320 -0.018 0.000 0.262 255 K C -2.637 173.943 176.600 -0.032 0.000 0.961 255 K CA -1.977 54.333 56.287 0.037 0.000 0.833 255 K CB 1.278 33.779 32.500 0.001 0.000 1.102 255 K HN -0.227 nan 8.250 nan 0.000 0.436 256 P HA -0.072 nan 4.420 nan 0.000 0.264 256 P C -0.931 176.339 177.300 -0.050 0.000 1.183 256 P CA -0.001 63.087 63.100 -0.019 0.000 0.763 256 P CB 0.412 32.130 31.700 0.029 0.000 0.807 257 K N 2.704 123.073 120.400 -0.051 0.000 2.368 257 K HA 0.113 4.422 4.320 -0.018 0.000 0.282 257 K C 0.301 176.928 176.600 0.045 0.000 1.035 257 K CA 0.122 56.376 56.287 -0.055 0.000 0.973 257 K CB -0.144 32.320 32.500 -0.061 0.000 0.957 257 K HN 0.597 nan 8.250 nan 0.000 0.474 258 H N 3.066 122.121 119.070 -0.025 0.000 2.964 258 H HA -0.030 4.516 4.556 -0.017 0.000 0.328 258 H C -1.091 174.226 175.328 -0.019 0.000 1.030 258 H CA -1.290 54.748 56.048 -0.017 0.000 1.445 258 H CB 0.604 30.358 29.762 -0.014 0.000 1.449 258 H HN 0.398 nan 8.280 nan 0.000 0.581 259 P HA -0.233 nan 4.420 nan 0.000 0.218 259 P C -0.005 177.303 177.300 0.014 0.000 1.154 259 P CA 0.832 63.948 63.100 0.028 0.000 0.872 259 P CB 0.153 31.853 31.700 -0.000 0.000 0.790 260 L N -0.634 120.595 121.223 0.011 0.000 3.760 260 L HA -0.209 4.120 4.340 -0.018 0.000 0.604 260 L C -0.221 176.640 176.870 -0.014 0.000 1.108 260 L CA 0.399 55.240 54.840 0.001 0.000 0.941 260 L CB -1.621 40.450 42.059 0.019 0.000 1.244 260 L HN 0.060 nan 8.230 nan 0.000 0.789 261 E N 2.602 122.788 120.200 -0.023 0.000 2.428 261 E HA 0.588 4.927 4.350 -0.018 0.000 0.257 261 E C 0.427 177.009 176.600 -0.029 0.000 1.197 261 E CA 0.445 56.830 56.400 -0.026 0.000 0.974 261 E CB 0.738 30.422 29.700 -0.025 0.000 0.976 261 E HN 0.548 nan 8.360 nan 0.000 0.463 262 I N 0.598 121.146 120.570 -0.036 0.000 2.686 262 I HA 0.148 4.307 4.170 -0.018 0.000 0.295 262 I C -0.825 175.261 176.117 -0.052 0.000 1.114 262 I CA -0.923 60.349 61.300 -0.046 0.000 1.038 262 I CB 1.300 39.264 38.000 -0.059 0.000 1.238 262 I HN 0.521 nan 8.210 nan 0.000 0.420 263 E N 8.766 128.934 120.200 -0.054 0.000 2.351 263 E HA 0.081 4.420 4.350 -0.018 0.000 0.266 263 E C -2.179 174.369 176.600 -0.087 0.000 1.031 263 E CA -1.411 54.957 56.400 -0.053 0.000 0.911 263 E CB 0.615 30.288 29.700 -0.044 0.000 0.986 263 E HN 0.427 nan 8.360 nan 0.000 0.446 264 P HA -0.213 nan 4.420 nan 0.000 0.224 264 P C 0.922 178.097 177.300 -0.209 0.000 1.142 264 P CA 1.198 64.227 63.100 -0.119 0.000 0.778 264 P CB 0.419 32.134 31.700 0.025 0.000 0.764 265 E N 0.744 120.869 120.200 -0.125 0.000 2.076 265 E HA -0.120 4.219 4.350 -0.018 0.000 0.190 265 E C 2.352 178.860 176.600 -0.155 0.000 0.979 265 E CA 0.819 57.152 56.400 -0.111 0.000 0.807 265 E CB -0.692 28.977 29.700 -0.051 0.000 0.761 265 E HN 0.030 nan 8.360 nan 0.000 0.454 266 R N -0.198 120.216 120.500 -0.143 0.000 2.081 266 R HA -0.122 4.207 4.340 -0.018 0.000 0.235 266 R C 2.264 178.441 176.300 -0.205 0.000 1.131 266 R CA 1.414 57.434 56.100 -0.133 0.000 0.960 266 R CB -0.458 29.782 30.300 -0.099 0.000 0.856 266 R HN 0.304 nan 8.270 nan 0.000 0.436 267 L N 1.527 122.564 121.223 -0.309 0.000 2.042 267 L HA -0.183 4.147 4.340 -0.018 0.000 0.210 267 L C 2.503 178.979 176.870 -0.656 0.000 1.076 267 L CA 1.793 56.360 54.840 -0.456 0.000 0.749 267 L CB -0.588 41.127 42.059 -0.573 0.000 0.893 267 L HN 0.150 nan 8.230 nan 0.000 0.432 268 R N -0.463 119.565 120.500 -0.787 0.000 2.073 268 R HA -0.180 4.150 4.340 -0.018 0.000 0.234 268 R C 2.283 178.501 176.300 -0.136 0.000 1.134 268 R CA 1.746 57.553 56.100 -0.488 0.000 0.952 268 R CB -0.118 30.085 30.300 -0.160 0.000 0.850 268 R HN 0.382 nan 8.270 nan 0.000 0.433 269 K N 0.162 120.487 120.400 -0.124 0.000 2.097 269 K HA -0.104 4.205 4.320 -0.018 0.000 0.205 269 K C 2.166 178.742 176.600 -0.041 0.000 1.050 269 K CA 1.346 57.602 56.287 -0.052 0.000 0.938 269 K CB -0.121 32.349 32.500 -0.049 0.000 0.718 269 K HN 0.270 nan 8.250 nan 0.000 0.442 270 I N 0.895 121.421 120.570 -0.073 0.000 2.179 270 I HA -0.275 3.884 4.170 -0.018 0.000 0.242 270 I C 2.199 178.314 176.117 -0.004 0.000 1.088 270 I CA 1.178 62.452 61.300 -0.043 0.000 1.357 270 I CB -0.302 37.660 38.000 -0.062 0.000 1.051 270 I HN -0.081 nan 8.210 nan 0.000 0.409 271 V N 0.661 120.581 119.914 0.010 0.000 2.594 271 V HA -0.287 3.822 4.120 -0.018 0.000 0.253 271 V C 2.389 178.537 176.094 0.089 0.000 1.069 271 V CA 2.007 64.361 62.300 0.091 0.000 1.082 271 V CB -0.736 31.220 31.823 0.222 0.000 0.680 271 V HN 0.501 nan 8.190 nan 0.000 0.469 272 E N 0.184 120.424 120.200 0.068 0.000 2.072 272 E HA -0.199 4.140 4.350 -0.018 0.000 0.190 272 E C 2.183 178.810 176.600 0.043 0.000 0.982 272 E CA 1.088 57.525 56.400 0.062 0.000 0.803 272 E CB -0.012 29.719 29.700 0.051 0.000 0.755 272 E HN 0.704 nan 8.360 nan 0.000 0.453 273 E N 0.316 120.533 120.200 0.028 0.000 2.031 273 E HA -0.193 4.146 4.350 -0.018 0.000 0.193 273 E C 2.272 178.890 176.600 0.030 0.000 0.994 273 E CA 1.101 57.514 56.400 0.022 0.000 0.800 273 E CB -0.038 29.668 29.700 0.010 0.000 0.752 273 E HN 0.190 nan 8.360 nan 0.000 0.447 274 R N -0.527 119.995 120.500 0.035 0.000 2.120 274 R HA -0.066 4.263 4.340 -0.018 0.000 0.234 274 R C 1.536 177.867 176.300 0.051 0.000 1.123 274 R CA 0.790 56.916 56.100 0.042 0.000 0.975 274 R CB -0.222 30.107 30.300 0.048 0.000 0.866 274 R HN 0.330 nan 8.270 nan 0.000 0.446 275 G N 1.258 110.093 108.800 0.059 0.000 2.160 275 G HA2 -0.308 3.641 3.960 -0.018 0.000 0.251 275 G HA3 -0.308 3.641 3.960 -0.018 0.000 0.251 275 G C 0.288 175.232 174.900 0.075 0.000 1.008 275 G CA 0.681 45.819 45.100 0.063 0.000 0.724 275 G HN 0.507 nan 8.290 nan 0.000 0.514 276 T N -2.510 112.096 114.554 0.087 0.000 2.880 276 T HA 0.811 5.150 4.350 -0.018 0.000 0.279 276 T C 0.350 175.123 174.700 0.122 0.000 0.990 276 T CA 0.130 62.291 62.100 0.101 0.000 0.938 276 T CB 2.170 71.098 68.868 0.100 0.000 1.206 276 T HN 1.654 nan 8.240 nan 0.000 0.573 277 A N 0.825 123.733 122.820 0.146 0.000 2.258 277 A HA 0.656 4.966 4.320 -0.018 0.000 0.316 277 A C -0.519 177.213 177.584 0.246 0.000 1.279 277 A CA -0.721 51.430 52.037 0.190 0.000 0.876 277 A CB 0.266 19.382 19.000 0.193 0.000 1.170 277 A HN 0.735 nan 8.150 nan 0.000 0.520 278 V N 3.693 123.745 119.914 0.231 0.000 2.495 278 V HA 0.789 4.898 4.120 -0.018 0.000 0.298 278 V C -0.512 175.741 176.094 0.264 0.000 1.031 278 V CA -0.308 62.098 62.300 0.176 0.000 0.871 278 V CB 0.713 32.623 31.823 0.145 0.000 0.988 278 V HN 0.951 nan 8.190 nan 0.000 0.432 279 F N 2.152 122.166 119.950 0.106 0.000 2.741 279 F HA 0.978 5.494 4.527 -0.018 0.000 0.313 279 F C -0.649 175.264 175.800 0.188 0.000 1.153 279 F CA -1.111 56.950 58.000 0.102 0.000 0.931 279 F CB 1.421 40.470 39.000 0.081 0.000 1.335 279 F HN 0.661 nan 8.300 nan 0.000 0.460 280 A N 0.923 123.984 122.820 0.402 0.000 2.475 280 A HA 0.761 5.071 4.320 -0.018 0.000 0.301 280 A C -1.982 175.872 177.584 0.450 0.000 1.059 280 A CA -0.928 51.312 52.037 0.338 0.000 0.710 280 A CB 1.777 20.930 19.000 0.256 0.000 1.288 280 A HN 0.922 nan 8.150 nan 0.000 0.408 281 V N 2.606 122.792 119.914 0.453 0.000 2.350 281 V HA 0.357 4.466 4.120 -0.018 0.000 0.276 281 V C 0.280 176.594 176.094 0.366 0.000 1.028 281 V CA -0.310 62.233 62.300 0.405 0.000 0.860 281 V CB 1.086 33.115 31.823 0.342 0.000 0.990 281 V HN 0.864 nan 8.190 nan 0.000 0.453 282 K N 5.885 126.438 120.400 0.255 0.000 2.138 282 K HA 0.774 5.083 4.320 -0.018 0.000 0.263 282 K C -1.104 175.574 176.600 0.131 0.000 0.965 282 K CA -0.427 55.862 56.287 0.003 0.000 0.868 282 K CB 1.436 33.861 32.500 -0.125 0.000 1.083 282 K HN 0.580 nan 8.250 nan 0.000 0.443 283 F N -0.975 118.930 119.950 -0.075 0.000 2.773 283 F HA 0.455 4.971 4.527 -0.018 0.000 0.314 283 F C -1.172 174.810 175.800 0.302 0.000 1.160 283 F CA -1.441 56.595 58.000 0.060 0.000 0.920 283 F CB 0.811 39.795 39.000 -0.026 0.000 1.323 283 F HN 0.285 nan 8.300 nan 0.000 0.457 284 R N 1.634 122.433 120.500 0.499 0.000 2.438 284 R HA 0.231 4.560 4.340 -0.018 0.000 0.287 284 R C -0.358 175.970 176.300 0.047 0.000 1.077 284 R CA -0.757 55.464 56.100 0.202 0.000 1.034 284 R CB 0.966 31.374 30.300 0.180 0.000 0.993 284 R HN 0.659 nan 8.270 nan 0.000 0.459 285 K N 4.656 124.972 120.400 -0.140 0.000 2.412 285 K HA 0.092 4.401 4.320 -0.018 0.000 0.284 285 K C -2.143 174.441 176.600 -0.026 0.000 1.046 285 K CA -1.277 54.944 56.287 -0.111 0.000 0.999 285 K CB 0.496 32.905 32.500 -0.152 0.000 0.941 285 K HN 0.220 nan 8.250 nan 0.000 0.474 286 P HA 0.026 nan 4.420 nan 0.000 0.271 286 P C -1.171 176.124 177.300 -0.008 0.000 1.218 286 P CA -0.308 62.806 63.100 0.023 0.000 0.780 286 P CB 0.582 32.306 31.700 0.041 0.000 0.901 287 D N 2.886 123.276 120.400 -0.016 0.000 2.435 287 D HA 0.258 4.887 4.640 -0.018 0.000 0.230 287 D C -0.311 175.978 176.300 -0.017 0.000 1.215 287 D CA 0.088 54.074 54.000 -0.023 0.000 0.947 287 D CB -0.841 39.940 40.800 -0.030 0.000 1.048 287 D HN 0.243 nan 8.370 nan 0.000 0.512 288 I N -0.430 120.136 120.570 -0.006 0.000 3.093 288 I HA 0.470 4.629 4.170 -0.018 0.000 0.308 288 I C -0.319 175.813 176.117 0.026 0.000 1.303 288 I CA -1.559 59.741 61.300 -0.000 0.000 0.975 288 I CB 1.573 39.572 38.000 -0.002 0.000 1.286 288 I HN -0.039 nan 8.210 nan 0.000 0.459 289 V N -0.065 119.869 119.914 0.034 0.000 2.715 289 V HA 0.231 4.340 4.120 -0.018 0.000 0.299 289 V C 0.765 176.928 176.094 0.115 0.000 1.054 289 V CA 0.212 62.553 62.300 0.067 0.000 1.077 289 V CB 0.865 32.725 31.823 0.063 0.000 0.972 289 V HN 0.861 nan 8.190 nan 0.000 0.484 290 D N 2.345 122.844 120.400 0.164 0.000 2.191 290 D HA -0.204 4.425 4.640 -0.018 0.000 0.195 290 D C 1.500 177.963 176.300 0.271 0.000 1.003 290 D CA 2.199 56.374 54.000 0.291 0.000 0.867 290 D CB -0.125 40.786 40.800 0.185 0.000 0.926 290 D HN 0.839 nan 8.370 nan 0.000 0.450 291 D N -0.325 120.184 120.400 0.183 0.000 2.310 291 D HA -0.061 4.568 4.640 -0.018 0.000 0.212 291 D C 1.486 177.851 176.300 0.108 0.000 0.965 291 D CA 0.511 54.638 54.000 0.212 0.000 0.879 291 D CB -0.027 40.906 40.800 0.222 0.000 0.921 291 D HN 0.219 nan 8.370 nan 0.000 0.510 292 N N -0.326 118.420 118.700 0.076 0.000 2.454 292 N HA 0.001 4.730 4.740 -0.018 0.000 0.177 292 N C 1.700 177.205 175.510 -0.009 0.000 1.049 292 N CA -0.068 52.984 53.050 0.003 0.000 0.887 292 N CB 0.261 38.749 38.487 0.002 0.000 1.095 292 N HN 0.137 nan 8.380 nan 0.000 0.446 293 L N 0.491 121.741 121.223 0.045 0.000 1.988 293 L HA -0.041 4.289 4.340 -0.018 0.000 0.207 293 L C 1.825 178.637 176.870 -0.097 0.000 1.071 293 L CA 1.673 56.501 54.840 -0.020 0.000 0.744 293 L CB -0.824 41.227 42.059 -0.014 0.000 0.893 293 L HN 0.011 nan 8.230 nan 0.000 0.433 294 Y N -0.072 120.184 120.300 -0.072 0.000 2.224 294 Y HA -0.112 4.427 4.550 -0.018 0.000 0.289 294 Y C -0.390 175.393 175.900 -0.195 0.000 1.146 294 Y CA 1.649 59.678 58.100 -0.119 0.000 1.182 294 Y CB -2.068 36.425 38.460 0.056 0.000 0.983 294 Y HN 0.305 nan 8.280 nan 0.000 0.524 295 P HA -0.142 nan 4.420 nan 0.000 0.220 295 P C 1.119 178.317 177.300 -0.169 0.000 1.148 295 P CA 1.629 64.614 63.100 -0.192 0.000 0.803 295 P CB 0.013 31.463 31.700 -0.417 0.000 0.782 296 Q N -0.945 118.753 119.800 -0.170 0.000 2.096 296 Q HA -0.020 4.309 4.340 -0.018 0.000 0.197 296 Q C 2.101 177.973 176.000 -0.212 0.000 0.964 296 Q CA 0.979 56.685 55.803 -0.161 0.000 0.838 296 Q CB -0.555 28.107 28.738 -0.126 0.000 0.906 296 Q HN 0.275 nan 8.270 nan 0.000 0.444 297 L N 0.729 121.738 121.223 -0.356 0.000 2.083 297 L HA -0.212 4.117 4.340 -0.018 0.000 0.209 297 L C 2.124 178.660 176.870 -0.556 0.000 1.083 297 L CA 1.232 55.737 54.840 -0.558 0.000 0.752 297 L CB -0.386 41.000 42.059 -1.121 0.000 0.899 297 L HN 0.289 nan 8.230 nan 0.000 0.433 298 E N -0.293 119.638 120.200 -0.450 0.000 2.077 298 E HA -0.240 4.099 4.350 -0.018 0.000 0.193 298 E C 2.289 178.876 176.600 -0.021 0.000 0.989 298 E CA 0.886 57.220 56.400 -0.111 0.000 0.800 298 E CB -0.045 29.664 29.700 0.015 0.000 0.746 298 E HN 0.335 nan 8.360 nan 0.000 0.452 299 R N 0.685 121.149 120.500 -0.059 0.000 2.062 299 R HA -0.118 4.211 4.340 -0.018 0.000 0.231 299 R C 2.330 178.640 176.300 0.016 0.000 1.136 299 R CA 1.350 57.439 56.100 -0.018 0.000 0.948 299 R CB -0.264 30.005 30.300 -0.052 0.000 0.845 299 R HN 0.130 nan 8.270 nan 0.000 0.430 300 A N -0.019 122.788 122.820 -0.022 0.000 1.940 300 A HA -0.172 4.137 4.320 -0.018 0.000 0.219 300 A C 2.241 179.909 177.584 0.141 0.000 1.176 300 A CA 1.983 54.028 52.037 0.013 0.000 0.631 300 A CB -0.715 18.241 19.000 -0.074 0.000 0.814 300 A HN 0.450 nan 8.150 nan 0.000 0.446 301 S N -1.254 114.540 115.700 0.158 0.000 2.356 301 S HA -0.157 4.302 4.470 -0.018 0.000 0.223 301 S C 2.204 177.030 174.600 0.376 0.000 1.032 301 S CA 1.379 59.772 58.200 0.320 0.000 1.005 301 S CB -0.314 63.046 63.200 0.267 0.000 0.867 301 S HN 0.630 nan 8.310 nan 0.000 0.449 302 R N 0.777 121.416 120.500 0.231 0.000 2.080 302 R HA -0.087 4.243 4.340 -0.018 0.000 0.236 302 R C 2.157 178.603 176.300 0.244 0.000 1.137 302 R CA 1.381 57.610 56.100 0.216 0.000 0.943 302 R CB -0.158 30.214 30.300 0.119 0.000 0.846 302 R HN 0.166 nan 8.270 nan 0.000 0.431 303 K N 0.549 121.057 120.400 0.180 0.000 2.074 303 K HA -0.174 4.135 4.320 -0.018 0.000 0.209 303 K C 2.085 178.726 176.600 0.068 0.000 1.048 303 K CA 1.474 57.855 56.287 0.155 0.000 0.926 303 K CB -0.439 32.176 32.500 0.192 0.000 0.713 303 K HN 0.356 nan 8.250 nan 0.000 0.444 304 I N -0.226 120.411 120.570 0.111 0.000 2.353 304 I HA -0.222 3.937 4.170 -0.018 0.000 0.248 304 I C 2.282 178.361 176.117 -0.062 0.000 1.119 304 I CA 0.673 61.920 61.300 -0.088 0.000 1.417 304 I CB -0.224 37.721 38.000 -0.090 0.000 1.078 304 I HN -0.047 nan 8.210 nan 0.000 0.421 305 F N 2.010 121.990 119.950 0.049 0.000 2.102 305 F HA -0.246 4.270 4.527 -0.018 0.000 0.298 305 F C 2.415 178.230 175.800 0.024 0.000 1.105 305 F CA 1.864 59.923 58.000 0.099 0.000 1.239 305 F CB -0.147 38.974 39.000 0.202 0.000 0.991 305 F HN 0.005 nan 8.300 nan 0.000 0.474 306 E N -0.723 119.601 120.200 0.208 0.000 2.153 306 E HA -0.227 4.112 4.350 -0.018 0.000 0.194 306 E C 1.988 178.545 176.600 -0.072 0.000 0.988 306 E CA 1.304 57.758 56.400 0.090 0.000 0.811 306 E CB -0.399 29.376 29.700 0.125 0.000 0.746 306 E HN 0.555 nan 8.360 nan 0.000 0.466 307 F N 1.030 120.781 119.950 -0.331 0.000 2.146 307 F HA -0.118 4.398 4.527 -0.018 0.000 0.298 307 F C 1.722 177.348 175.800 -0.290 0.000 1.096 307 F CA 1.135 58.858 58.000 -0.461 0.000 1.275 307 F CB -0.148 38.248 39.000 -1.007 0.000 1.008 307 F HN -0.093 nan 8.300 nan 0.000 0.480 308 L N 0.759 121.765 121.223 -0.363 0.000 2.046 308 L HA -0.215 4.114 4.340 -0.018 0.000 0.208 308 L C 2.672 179.348 176.870 -0.323 0.000 1.077 308 L CA 1.979 56.617 54.840 -0.337 0.000 0.747 308 L CB -0.988 40.904 42.059 -0.277 0.000 0.896 308 L HN 0.355 nan 8.230 nan 0.000 0.432 309 E N 1.194 121.179 120.200 -0.359 0.000 2.072 309 E HA -0.254 4.085 4.350 -0.018 0.000 0.190 309 E C 2.082 178.551 176.600 -0.219 0.000 0.982 309 E CA 1.137 57.377 56.400 -0.266 0.000 0.803 309 E CB -0.321 29.257 29.700 -0.204 0.000 0.755 309 E HN 0.593 nan 8.360 nan 0.000 0.453 310 R N 0.589 120.953 120.500 -0.228 0.000 2.276 310 R HA 0.053 4.382 4.340 -0.018 0.000 0.203 310 R C 1.393 177.519 176.300 -0.290 0.000 1.017 310 R CA 0.979 56.959 56.100 -0.200 0.000 1.010 310 R CB 0.051 30.270 30.300 -0.134 0.000 0.900 310 R HN -0.004 nan 8.270 nan 0.000 0.469 311 E N 1.336 121.279 120.200 -0.429 0.000 2.465 311 E HA 0.038 4.377 4.350 -0.018 0.000 0.191 311 E C -0.604 175.626 176.600 -0.616 0.000 1.053 311 E CA -0.056 56.036 56.400 -0.514 0.000 0.869 311 E CB -0.251 29.018 29.700 -0.720 0.000 0.977 311 E HN 0.457 nan 8.360 nan 0.000 0.483 312 N N -1.234 117.201 118.700 -0.441 0.000 2.747 312 N HA -0.225 4.504 4.740 -0.018 0.000 0.249 312 N C -0.303 174.954 175.510 -0.422 0.000 1.107 312 N CA 0.563 53.381 53.050 -0.387 0.000 0.707 312 N CB -1.472 36.806 38.487 -0.350 0.000 1.054 312 N HN 0.120 nan 8.380 nan 0.000 0.555 313 F N 0.277 120.127 119.950 -0.166 0.000 2.797 313 F HA 0.316 4.832 4.527 -0.018 0.000 0.302 313 F C 1.046 176.792 175.800 -0.090 0.000 1.130 313 F CA 0.121 58.054 58.000 -0.111 0.000 1.387 313 F CB -0.052 38.875 39.000 -0.122 0.000 1.107 313 F HN 0.100 nan 8.300 nan 0.000 0.577 314 M N 0.318 119.918 119.600 0.000 0.000 2.852 314 M HA -0.189 4.281 4.480 -0.018 0.000 0.176 314 M C -2.538 173.759 176.300 -0.006 0.000 1.160 314 M CA -0.304 54.989 55.300 -0.013 0.000 0.702 314 M CB -1.617 30.993 32.600 0.016 0.000 1.193 314 M HN -0.160 nan 8.290 nan 0.000 0.775 315 P HA 0.152 nan 4.420 nan 0.000 0.269 315 P C 0.295 177.638 177.300 0.072 0.000 1.209 315 P CA 0.016 63.035 63.100 -0.135 0.000 0.776 315 P CB 0.773 32.026 31.700 -0.746 0.000 0.876 316 L N 1.548 122.888 121.223 0.195 0.000 2.276 316 L HA 0.250 4.579 4.340 -0.018 0.000 0.194 316 L C 1.148 178.216 176.870 0.330 0.000 1.099 316 L CA 0.882 55.854 54.840 0.219 0.000 0.800 316 L CB -0.019 42.122 42.059 0.137 0.000 0.994 316 L HN 0.345 nan 8.230 nan 0.000 0.475 317 R N -1.283 119.411 120.500 0.323 0.000 2.764 317 R HA 0.446 4.776 4.340 -0.018 0.000 0.270 317 R C -1.153 175.285 176.300 0.231 0.000 1.014 317 R CA -0.427 55.811 56.100 0.231 0.000 0.904 317 R CB 2.193 32.529 30.300 0.059 0.000 1.236 317 R HN 0.119 nan 8.270 nan 0.000 0.466 318 S N 0.052 115.787 115.700 0.058 0.000 2.677 318 S HA 0.963 5.422 4.470 -0.018 0.000 0.304 318 S C -0.922 173.579 174.600 -0.164 0.000 1.108 318 S CA -0.263 57.912 58.200 -0.042 0.000 0.944 318 S CB 2.453 65.712 63.200 0.099 0.000 1.127 318 S HN 0.829 nan 8.310 nan 0.000 0.511 319 A N 0.515 123.181 122.820 -0.257 0.000 2.493 319 A HA 0.895 5.204 4.320 -0.018 0.000 0.300 319 A C -1.693 175.797 177.584 -0.157 0.000 1.152 319 A CA -0.656 51.215 52.037 -0.276 0.000 0.643 319 A CB 0.668 19.515 19.000 -0.255 0.000 1.316 319 A HN 2.068 nan 8.150 nan 0.000 0.469 320 F N -1.662 118.241 119.950 -0.078 0.000 2.708 320 F HA 0.799 5.315 4.527 -0.018 0.000 0.309 320 F C -1.188 174.622 175.800 0.017 0.000 1.120 320 F CA -0.767 57.213 58.000 -0.033 0.000 0.978 320 F CB 1.139 40.126 39.000 -0.022 0.000 1.283 320 F HN 0.723 nan 8.300 nan 0.000 0.439 321 K N 2.121 122.711 120.400 0.317 0.000 2.469 321 K HA 0.904 5.213 4.320 -0.018 0.000 0.254 321 K C -1.947 174.806 176.600 0.255 0.000 0.939 321 K CA -0.871 55.565 56.287 0.249 0.000 0.812 321 K CB 2.482 35.053 32.500 0.118 0.000 1.301 321 K HN 1.256 nan 8.250 nan 0.000 0.433 322 A N 2.000 124.927 122.820 0.177 0.000 2.356 322 A HA 0.650 4.959 4.320 -0.018 0.000 0.310 322 A C -0.996 176.667 177.584 0.131 0.000 1.075 322 A CA -0.575 51.509 52.037 0.078 0.000 0.746 322 A CB 1.543 20.491 19.000 -0.087 0.000 1.221 322 A HN 0.633 nan 8.150 nan 0.000 0.443 323 S N 0.095 115.872 115.700 0.128 0.000 2.766 323 S HA 0.364 4.823 4.470 -0.018 0.000 0.307 323 S C 0.720 175.342 174.600 0.036 0.000 1.121 323 S CA -0.658 57.615 58.200 0.121 0.000 0.980 323 S CB 1.033 64.357 63.200 0.207 0.000 1.159 323 S HN 0.726 nan 8.310 nan 0.000 0.546 324 E N 1.434 121.645 120.200 0.019 0.000 2.150 324 E HA -0.160 4.179 4.350 -0.018 0.000 0.193 324 E C 1.777 178.307 176.600 -0.116 0.000 0.985 324 E CA 1.143 57.525 56.400 -0.029 0.000 0.814 324 E CB -0.062 29.627 29.700 -0.018 0.000 0.752 324 E HN 0.771 nan 8.360 nan 0.000 0.466 325 E N -0.217 119.889 120.200 -0.156 0.000 2.022 325 E HA -0.038 4.302 4.350 -0.018 0.000 0.193 325 E C 0.463 176.639 176.600 -0.707 0.000 0.969 325 E CA 0.531 56.654 56.400 -0.461 0.000 0.834 325 E CB -0.227 29.265 29.700 -0.347 0.000 0.798 325 E HN 0.004 nan 8.360 nan 0.000 0.467 326 F N -0.031 119.857 119.950 -0.102 0.000 2.671 326 F HA 0.529 5.045 4.527 -0.018 0.000 0.373 326 F C -0.183 175.350 175.800 -0.446 0.000 1.122 326 F CA -1.230 56.580 58.000 -0.315 0.000 1.082 326 F CB 1.468 40.195 39.000 -0.455 0.000 1.399 326 F HN 0.122 nan 8.300 nan 0.000 0.509 327 C N 0.301 119.206 119.300 -0.659 0.000 2.563 327 C HA 0.695 5.144 4.460 -0.018 0.000 0.314 327 C C -1.439 173.028 174.990 -0.872 0.000 1.199 327 C CA -1.047 57.530 59.018 -0.735 0.000 1.564 327 C CB 0.836 27.926 27.740 -1.084 0.000 2.173 327 C HN 0.568 nan 8.230 nan 0.000 0.485 328 Y N 2.178 122.390 120.300 -0.148 0.000 2.391 328 Y HA 0.675 5.215 4.550 -0.018 0.000 0.341 328 Y C -0.121 175.841 175.900 0.103 0.000 0.965 328 Y CA -0.876 57.229 58.100 0.008 0.000 1.067 328 Y CB 0.865 39.333 38.460 0.013 0.000 1.199 328 Y HN 0.366 nan 8.280 nan 0.000 0.450 329 L N 5.354 126.749 121.223 0.287 0.000 2.298 329 L HA 0.535 4.864 4.340 -0.018 0.000 0.284 329 L C -1.185 175.539 176.870 -0.243 0.000 1.013 329 L CA -0.727 54.170 54.840 0.095 0.000 0.824 329 L CB 0.916 43.142 42.059 0.277 0.000 1.221 329 L HN 0.447 nan 8.230 nan 0.000 0.418 330 L N 3.847 124.759 121.223 -0.519 0.000 2.322 330 L HA 0.638 4.967 4.340 -0.018 0.000 0.279 330 L C -0.622 175.584 176.870 -1.107 0.000 1.036 330 L CA 0.016 54.503 54.840 -0.588 0.000 0.807 330 L CB 1.188 43.090 42.059 -0.261 0.000 1.226 330 L HN 0.236 nan 8.230 nan 0.000 0.433 331 F N -0.358 119.363 119.950 -0.381 0.000 2.626 331 F HA 0.624 5.140 4.527 -0.018 0.000 0.311 331 F C -0.274 175.302 175.800 -0.374 0.000 1.088 331 F CA -0.774 56.989 58.000 -0.394 0.000 0.949 331 F CB 1.985 40.597 39.000 -0.648 0.000 1.322 331 F HN 0.424 nan 8.300 nan 0.000 0.461 332 E N 1.235 121.463 120.200 0.046 0.000 2.278 332 E HA 0.631 4.970 4.350 -0.018 0.000 0.272 332 E C -1.996 174.677 176.600 0.122 0.000 0.890 332 E CA -0.415 56.027 56.400 0.071 0.000 0.770 332 E CB 1.671 31.413 29.700 0.071 0.000 1.212 332 E HN 0.763 nan 8.360 nan 0.000 0.415 333 C N 3.366 122.754 119.300 0.146 0.000 2.561 333 C HA 0.288 4.737 4.460 -0.018 0.000 0.319 333 C C 1.281 176.349 174.990 0.130 0.000 1.198 333 C CA -0.537 58.566 59.018 0.141 0.000 1.665 333 C CB 1.728 29.575 27.740 0.179 0.000 2.258 333 C HN 0.892 nan 8.230 nan 0.000 0.493 334 Q N 0.646 120.512 119.800 0.110 0.000 2.297 334 Q HA 0.078 4.407 4.340 -0.018 0.000 0.204 334 Q C 0.067 176.131 176.000 0.106 0.000 0.962 334 Q CA 0.929 56.788 55.803 0.094 0.000 0.879 334 Q CB 0.180 28.960 28.738 0.071 0.000 0.947 334 Q HN 0.574 nan 8.270 nan 0.000 0.462 335 I N 1.182 121.841 120.570 0.148 0.000 2.330 335 I HA 0.110 4.269 4.170 -0.018 0.000 0.286 335 I C 0.670 176.912 176.117 0.208 0.000 1.025 335 I CA 0.020 61.428 61.300 0.180 0.000 1.197 335 I CB 1.313 39.445 38.000 0.219 0.000 1.358 335 I HN 0.017 nan 8.210 nan 0.000 0.467 336 K N 3.582 124.067 120.400 0.141 0.000 2.155 336 K HA -0.013 4.296 4.320 -0.018 0.000 0.203 336 K C 0.499 177.169 176.600 0.117 0.000 1.052 336 K CA 0.943 57.292 56.287 0.103 0.000 0.948 336 K CB 0.514 33.062 32.500 0.080 0.000 0.728 336 K HN 0.588 nan 8.250 nan 0.000 0.448 337 E N 0.362 120.656 120.200 0.157 0.000 2.321 337 E HA 0.318 4.657 4.350 -0.018 0.000 0.281 337 E C -1.851 174.850 176.600 0.168 0.000 0.910 337 E CA -0.433 56.074 56.400 0.177 0.000 0.770 337 E CB 1.574 31.339 29.700 0.109 0.000 1.225 337 E HN 0.016 nan 8.360 nan 0.000 0.417 338 I N 2.600 123.285 120.570 0.192 0.000 2.910 338 I HA 0.452 4.612 4.170 -0.018 0.000 0.310 338 I C 0.136 176.296 176.117 0.072 0.000 1.043 338 I CA -0.599 60.747 61.300 0.077 0.000 1.053 338 I CB 1.762 39.727 38.000 -0.057 0.000 1.242 338 I HN 0.791 nan 8.210 nan 0.000 0.452 339 S N 4.623 120.348 115.700 0.042 0.000 2.587 339 S HA 0.122 4.581 4.470 -0.018 0.000 0.260 339 S C 0.898 175.544 174.600 0.076 0.000 1.353 339 S CA -0.145 58.084 58.200 0.048 0.000 0.995 339 S CB 1.008 64.223 63.200 0.024 0.000 0.912 339 S HN 0.812 nan 8.310 nan 0.000 0.568 340 R N -0.014 120.536 120.500 0.082 0.000 2.100 340 R HA 0.121 4.450 4.340 -0.018 0.000 0.220 340 R C 0.646 177.059 176.300 0.188 0.000 1.091 340 R CA 0.877 57.047 56.100 0.117 0.000 0.986 340 R CB -0.541 29.820 30.300 0.102 0.000 0.888 340 R HN 0.743 nan 8.270 nan 0.000 0.444 341 V N -0.299 119.690 119.914 0.126 0.000 2.834 341 V HA 0.489 4.598 4.120 -0.018 0.000 0.301 341 V C -0.297 175.957 176.094 0.267 0.000 1.066 341 V CA -0.723 61.651 62.300 0.123 0.000 1.052 341 V CB 0.820 32.580 31.823 -0.106 0.000 1.021 341 V HN 0.252 nan 8.190 nan 0.000 0.480 342 F N 0.539 120.582 119.950 0.154 0.000 2.741 342 F HA 0.834 5.351 4.527 -0.018 0.000 0.313 342 F C -0.673 175.292 175.800 0.274 0.000 1.153 342 F CA -1.623 56.471 58.000 0.156 0.000 0.931 342 F CB 1.639 40.679 39.000 0.067 0.000 1.335 342 F HN 0.682 nan 8.300 nan 0.000 0.460 343 R N 1.503 122.207 120.500 0.340 0.000 2.387 343 R HA 0.641 4.970 4.340 -0.018 0.000 0.314 343 R C -1.083 175.427 176.300 0.349 0.000 0.958 343 R CA -0.910 55.337 56.100 0.246 0.000 0.846 343 R CB 2.183 32.636 30.300 0.256 0.000 1.147 343 R HN 0.871 nan 8.270 nan 0.000 0.447 344 R N 3.656 124.297 120.500 0.236 0.000 2.265 344 R HA 0.240 4.570 4.340 -0.018 0.000 0.319 344 R C -0.298 176.116 176.300 0.190 0.000 1.006 344 R CA -0.458 55.802 56.100 0.267 0.000 0.880 344 R CB 1.151 31.584 30.300 0.220 0.000 1.077 344 R HN 0.740 nan 8.270 nan 0.000 0.454 345 M N 3.958 123.559 119.600 0.002 0.000 2.228 345 M HA 0.279 4.748 4.480 -0.018 0.000 0.351 345 M C -0.200 175.682 176.300 -0.696 0.000 1.233 345 M CA 0.351 55.261 55.300 -0.650 0.000 1.129 345 M CB 0.923 33.152 32.600 -0.618 0.000 1.604 345 M HN 0.853 nan 8.290 nan 0.000 0.457 346 G N 4.296 112.425 108.800 -1.119 0.000 2.932 346 G HA2 0.727 4.676 3.960 -0.018 0.000 0.283 346 G HA3 0.727 4.676 3.960 -0.018 0.000 0.283 346 G C -3.001 171.379 174.900 -0.866 0.000 1.336 346 G CA -1.165 43.113 45.100 -1.371 0.000 1.056 346 G HN 0.526 nan 8.290 nan 0.000 0.522 347 P HA 0.110 nan 4.420 nan 0.000 0.272 347 P C -0.536 176.650 177.300 -0.190 0.000 1.230 347 P CA -0.105 62.788 63.100 -0.346 0.000 0.788 347 P CB 0.889 32.435 31.700 -0.256 0.000 0.949 348 Q N 0.753 120.468 119.800 -0.142 0.000 2.421 348 Q HA 0.022 4.351 4.340 -0.018 0.000 0.255 348 Q C 1.223 177.254 176.000 0.051 0.000 1.013 348 Q CA 0.019 55.780 55.803 -0.068 0.000 0.895 348 Q CB 0.063 28.717 28.738 -0.140 0.000 1.271 348 Q HN 0.525 nan 8.270 nan 0.000 0.460 349 F N 1.253 121.256 119.950 0.088 0.000 2.192 349 F HA -0.187 4.329 4.527 -0.018 0.000 0.301 349 F C 1.246 177.134 175.800 0.147 0.000 1.079 349 F CA 1.668 59.786 58.000 0.196 0.000 1.303 349 F CB -0.270 38.766 39.000 0.060 0.000 1.024 349 F HN 0.568 nan 8.300 nan 0.000 0.494 350 E N -0.308 119.498 120.200 -0.656 0.000 2.482 350 E HA -0.121 4.218 4.350 -0.018 0.000 0.196 350 E C 0.188 176.680 176.600 -0.179 0.000 1.047 350 E CA 0.641 56.742 56.400 -0.499 0.000 0.869 350 E CB -0.522 28.732 29.700 -0.744 0.000 0.836 350 E HN 0.384 nan 8.360 nan 0.000 0.520 351 D N 2.288 122.615 120.400 -0.120 0.000 2.741 351 D HA -0.008 4.622 4.640 -0.018 0.000 0.233 351 D C 1.019 177.296 176.300 -0.039 0.000 1.160 351 D CA -0.097 53.855 54.000 -0.080 0.000 1.003 351 D CB -0.012 40.731 40.800 -0.094 0.000 1.064 351 D HN 0.147 nan 8.370 nan 0.000 0.503 352 E N 1.369 121.561 120.200 -0.013 0.000 2.172 352 E HA -0.375 3.964 4.350 -0.018 0.000 0.213 352 E C 1.732 178.315 176.600 -0.029 0.000 1.051 352 E CA 1.393 57.793 56.400 0.000 0.000 0.860 352 E CB 0.205 29.911 29.700 0.010 0.000 0.755 352 E HN 0.331 nan 8.360 nan 0.000 0.462 353 R N 0.367 120.847 120.500 -0.034 0.000 2.113 353 R HA -0.157 4.173 4.340 -0.018 0.000 0.231 353 R C 2.192 178.463 176.300 -0.048 0.000 1.129 353 R CA 2.303 58.380 56.100 -0.038 0.000 0.915 353 R CB -0.288 29.991 30.300 -0.036 0.000 0.837 353 R HN 0.227 nan 8.270 nan 0.000 0.430 354 N N -0.100 118.567 118.700 -0.054 0.000 2.289 354 N HA -0.122 4.607 4.740 -0.018 0.000 0.184 354 N C 1.728 177.199 175.510 -0.065 0.000 1.016 354 N CA 1.260 54.276 53.050 -0.056 0.000 0.872 354 N CB -0.017 38.426 38.487 -0.074 0.000 0.973 354 N HN 0.119 nan 8.380 nan 0.000 0.433 355 V N 1.589 121.442 119.914 -0.101 0.000 2.343 355 V HA -0.210 3.899 4.120 -0.018 0.000 0.247 355 V C 2.518 178.495 176.094 -0.195 0.000 1.051 355 V CA 1.484 63.666 62.300 -0.198 0.000 1.036 355 V CB -0.382 31.322 31.823 -0.199 0.000 0.654 355 V HN 0.294 nan 8.190 nan 0.000 0.451 356 K N 0.135 120.456 120.400 -0.132 0.000 2.026 356 K HA -0.204 4.106 4.320 -0.018 0.000 0.208 356 K C 2.209 178.751 176.600 -0.097 0.000 1.048 356 K CA 1.574 57.789 56.287 -0.119 0.000 0.929 356 K CB -0.106 32.348 32.500 -0.076 0.000 0.713 356 K HN 0.379 nan 8.250 nan 0.000 0.439 357 K N -0.461 119.905 120.400 -0.057 0.000 2.211 357 K HA -0.131 4.179 4.320 -0.018 0.000 0.203 357 K C 1.887 178.472 176.600 -0.025 0.000 1.050 357 K CA 1.000 57.264 56.287 -0.039 0.000 0.945 357 K CB -0.132 32.358 32.500 -0.017 0.000 0.732 357 K HN 0.137 nan 8.250 nan 0.000 0.451 358 F N 1.279 121.122 119.950 -0.179 0.000 2.259 358 F HA -0.020 4.496 4.527 -0.018 0.000 0.298 358 F C 1.425 177.100 175.800 -0.207 0.000 1.088 358 F CA 1.022 58.908 58.000 -0.190 0.000 1.358 358 F CB 0.121 38.978 39.000 -0.238 0.000 1.040 358 F HN -0.138 nan 8.300 nan 0.000 0.505 359 L N -0.211 120.831 121.223 -0.301 0.000 2.558 359 L HA 0.013 4.342 4.340 -0.018 0.000 0.225 359 L C 2.286 179.007 176.870 -0.248 0.000 1.128 359 L CA 0.817 55.442 54.840 -0.359 0.000 0.868 359 L CB -0.747 41.102 42.059 -0.351 0.000 1.006 359 L HN 0.219 nan 8.230 nan 0.000 0.454 360 S N -0.858 114.726 115.700 -0.194 0.000 2.489 360 S HA 0.011 4.470 4.470 -0.018 0.000 0.228 360 S C 1.116 175.635 174.600 -0.135 0.000 0.995 360 S CA -0.042 58.077 58.200 -0.135 0.000 0.934 360 S CB -0.115 63.028 63.200 -0.096 0.000 0.771 360 S HN 0.258 nan 8.310 nan 0.000 0.522 361 R N 4.221 124.612 120.500 -0.182 0.000 2.242 361 R HA 0.184 4.513 4.340 -0.018 0.000 0.334 361 R C -0.353 175.853 176.300 -0.157 0.000 1.071 361 R CA -0.201 55.803 56.100 -0.160 0.000 0.922 361 R CB -0.206 29.981 30.300 -0.189 0.000 1.023 361 R HN 0.615 nan 8.270 nan 0.000 0.458 362 N N 3.978 122.614 118.700 -0.108 0.000 2.468 362 N HA 0.019 4.748 4.740 -0.018 0.000 0.265 362 N C -0.368 175.088 175.510 -0.090 0.000 1.199 362 N CA 0.172 53.166 53.050 -0.092 0.000 0.928 362 N CB 1.046 39.491 38.487 -0.070 0.000 1.059 362 N HN 0.389 nan 8.380 nan 0.000 0.467 363 R N 0.913 121.361 120.500 -0.087 0.000 2.939 363 R HA 0.626 4.955 4.340 -0.018 0.000 0.254 363 R C 0.649 176.894 176.300 -0.093 0.000 1.123 363 R CA -0.836 55.222 56.100 -0.070 0.000 1.020 363 R CB 0.922 31.196 30.300 -0.043 0.000 1.206 363 R HN 0.603 nan 8.270 nan 0.000 0.491 364 A N 0.196 122.927 122.820 -0.148 0.000 2.123 364 A HA 0.106 4.416 4.320 -0.018 0.000 0.214 364 A C 0.873 178.117 177.584 -0.566 0.000 1.152 364 A CA 0.915 52.715 52.037 -0.395 0.000 0.728 364 A CB -0.072 18.583 19.000 -0.576 0.000 0.814 364 A HN 0.588 nan 8.150 nan 0.000 0.464 365 F N -1.356 118.648 119.950 0.090 0.000 2.706 365 F HA 0.362 4.878 4.527 -0.018 0.000 0.313 365 F C 0.578 176.512 175.800 0.223 0.000 1.096 365 F CA -0.096 58.001 58.000 0.161 0.000 1.219 365 F CB 0.560 39.704 39.000 0.241 0.000 1.051 365 F HN 0.152 nan 8.300 nan 0.000 0.568 366 R N 2.015 122.688 120.500 0.288 0.000 1.592 366 R HA -0.110 4.219 4.340 -0.018 0.000 0.402 366 R C -3.059 173.463 176.300 0.371 0.000 1.261 366 R CA -0.346 55.913 56.100 0.264 0.000 0.987 366 R CB -0.819 29.631 30.300 0.251 0.000 3.043 366 R HN 0.026 nan 8.270 nan 0.000 0.493 367 P HA 0.228 nan 4.420 nan 0.000 0.273 367 P C -0.530 177.103 177.300 0.554 0.000 1.250 367 P CA -0.018 63.306 63.100 0.374 0.000 0.793 367 P CB 0.308 32.191 31.700 0.305 0.000 1.011 368 F N -1.823 118.312 119.950 0.308 0.000 2.629 368 F HA 0.676 5.192 4.527 -0.018 0.000 0.316 368 F C -0.763 175.000 175.800 -0.062 0.000 1.081 368 F CA -1.729 56.334 58.000 0.106 0.000 0.954 368 F CB 0.578 39.588 39.000 0.018 0.000 1.337 368 F HN 0.021 nan 8.300 nan 0.000 0.474 369 I N 1.393 121.804 120.570 -0.264 0.000 2.359 369 I HA 0.417 4.576 4.170 -0.018 0.000 0.294 369 I C -0.694 175.408 176.117 -0.025 0.000 0.987 369 I CA -0.330 60.700 61.300 -0.452 0.000 1.225 369 I CB 1.670 39.238 38.000 -0.720 0.000 1.366 369 I HN 0.769 nan 8.210 nan 0.000 0.466 370 E N 6.615 126.870 120.200 0.092 0.000 2.291 370 E HA 0.207 4.546 4.350 -0.018 0.000 0.276 370 E C -0.746 175.968 176.600 0.189 0.000 0.896 370 E CA -0.562 55.915 56.400 0.128 0.000 0.774 370 E CB 1.027 30.751 29.700 0.040 0.000 1.227 370 E HN 0.619 nan 8.360 nan 0.000 0.413 371 N N 2.967 121.720 118.700 0.088 0.000 2.710 371 N HA -0.266 4.463 4.740 -0.018 0.000 0.249 371 N C 0.600 176.186 175.510 0.127 0.000 1.059 371 N CA 1.714 54.823 53.050 0.099 0.000 0.720 371 N CB -1.043 37.514 38.487 0.116 0.000 0.983 371 N HN 1.001 nan 8.380 nan 0.000 0.544 372 G N -0.907 107.953 108.800 0.101 0.000 2.213 372 G HA2 -0.325 3.624 3.960 -0.018 0.000 0.236 372 G HA3 -0.325 3.624 3.960 -0.018 0.000 0.236 372 G C 0.055 175.067 174.900 0.187 0.000 0.991 372 G CA 0.585 45.800 45.100 0.191 0.000 0.629 372 G HN 0.793 nan 8.290 nan 0.000 0.517 373 R N -1.240 119.303 120.500 0.072 0.000 2.912 373 R HA 0.708 5.037 4.340 -0.018 0.000 0.262 373 R C -0.835 175.325 176.300 -0.234 0.000 1.057 373 R CA -1.254 54.797 56.100 -0.082 0.000 0.981 373 R CB 0.951 31.102 30.300 -0.248 0.000 1.201 373 R HN 0.109 nan 8.270 nan 0.000 0.484 374 W N 0.143 121.185 121.300 -0.429 0.000 2.375 374 W HA 0.423 5.072 4.660 -0.018 0.000 0.336 374 W C -0.778 175.231 176.519 -0.851 0.000 1.160 374 W CA 0.208 57.302 57.345 -0.418 0.000 1.266 374 W CB 0.916 30.227 29.460 -0.248 0.000 1.195 374 W HN 0.442 nan 8.180 nan 0.000 0.599 375 W N 1.011 122.145 121.300 -0.276 0.000 3.033 375 W HA 0.709 5.358 4.660 -0.018 0.000 0.336 375 W C -0.621 175.717 176.519 -0.300 0.000 1.173 375 W CA -1.179 55.889 57.345 -0.462 0.000 1.185 375 W CB 1.171 30.032 29.460 -0.998 0.000 1.425 375 W HN 0.441 nan 8.180 nan 0.000 0.536 376 A N 1.522 124.437 122.820 0.158 0.000 2.435 376 A HA 0.874 5.183 4.320 -0.018 0.000 0.304 376 A C -1.863 175.700 177.584 -0.035 0.000 1.064 376 A CA -0.799 51.276 52.037 0.063 0.000 0.727 376 A CB 0.832 19.855 19.000 0.038 0.000 1.284 376 A HN 0.524 nan 8.150 nan 0.000 0.415 377 F N 0.835 120.899 119.950 0.190 0.000 2.404 377 F HA 0.564 5.080 4.527 -0.018 0.000 0.345 377 F C 0.738 176.488 175.800 -0.083 0.000 1.110 377 F CA 0.124 58.155 58.000 0.051 0.000 1.130 377 F CB 1.620 40.680 39.000 0.100 0.000 1.129 377 F HN 0.708 nan 8.300 nan 0.000 0.500 378 E N 1.830 121.883 120.200 -0.245 0.000 2.393 378 E HA 0.587 4.926 4.350 -0.018 0.000 0.265 378 E C -1.101 175.345 176.600 -0.256 0.000 0.941 378 E CA -0.749 55.427 56.400 -0.373 0.000 0.801 378 E CB 1.402 30.635 29.700 -0.778 0.000 1.313 378 E HN 0.290 nan 8.360 nan 0.000 0.435 379 M N 1.129 120.750 119.600 0.035 0.000 2.393 379 M HA 0.486 4.955 4.480 -0.018 0.000 0.316 379 M C -0.362 176.133 176.300 0.324 0.000 1.087 379 M CA -0.490 54.932 55.300 0.204 0.000 0.937 379 M CB 1.641 34.325 32.600 0.139 0.000 1.668 379 M HN 0.408 nan 8.290 nan 0.000 0.438 380 R N 0.936 121.590 120.500 0.258 0.000 2.577 380 R HA 0.300 4.629 4.340 -0.018 0.000 0.269 380 R C 0.921 177.141 176.300 -0.133 0.000 1.084 380 R CA -0.574 55.515 56.100 -0.018 0.000 1.163 380 R CB 1.210 31.418 30.300 -0.153 0.000 1.100 380 R HN 0.461 nan 8.270 nan 0.000 0.547 381 K N 1.029 121.180 120.400 -0.415 0.000 2.379 381 K HA 0.110 4.419 4.320 -0.018 0.000 0.194 381 K C -0.219 176.316 176.600 -0.109 0.000 1.031 381 K CA 0.627 56.770 56.287 -0.239 0.000 1.037 381 K CB 0.318 32.714 32.500 -0.175 0.000 0.824 381 K HN 0.363 nan 8.250 nan 0.000 0.516 382 F N -2.169 117.866 119.950 0.141 0.000 2.668 382 F HA 0.299 4.815 4.527 -0.018 0.000 0.309 382 F C 0.436 176.349 175.800 0.187 0.000 1.117 382 F CA -1.184 56.906 58.000 0.149 0.000 0.951 382 F CB 0.865 39.964 39.000 0.166 0.000 1.323 382 F HN -0.189 nan 8.300 nan 0.000 0.451 383 T N -2.948 111.855 114.554 0.414 0.000 3.058 383 T HA 0.356 4.695 4.350 -0.018 0.000 0.278 383 T C 0.069 175.012 174.700 0.406 0.000 0.974 383 T CA 0.490 62.805 62.100 0.358 0.000 0.893 383 T CB -0.396 68.589 68.868 0.195 0.000 1.138 383 T HN 1.074 nan 8.240 nan 0.000 0.529 384 T N -1.350 113.368 114.554 0.275 0.000 2.906 384 T HA 0.608 4.948 4.350 -0.018 0.000 0.295 384 T C -2.562 171.719 174.700 -0.699 0.000 1.075 384 T CA -1.841 60.222 62.100 -0.061 0.000 1.005 384 T CB 2.251 71.059 68.868 -0.100 0.000 1.136 384 T HN -0.328 nan 8.240 nan 0.000 0.498 385 P HA -0.039 nan 4.420 nan 0.000 0.215 385 P C 1.174 177.900 177.300 -0.957 0.000 1.157 385 P CA 1.125 63.391 63.100 -1.391 0.000 0.868 385 P CB 0.092 31.349 31.700 -0.739 0.000 0.788 386 E N -0.089 119.551 120.200 -0.933 0.000 2.070 386 E HA -0.221 4.118 4.350 -0.018 0.000 0.197 386 E C 2.026 178.354 176.600 -0.453 0.000 1.004 386 E CA 1.354 57.259 56.400 -0.824 0.000 0.805 386 E CB -0.722 28.619 29.700 -0.598 0.000 0.744 386 E HN 0.375 nan 8.360 nan 0.000 0.451 387 E N -0.292 119.709 120.200 -0.332 0.000 2.118 387 E HA -0.159 4.181 4.350 -0.018 0.000 0.195 387 E C 2.142 178.546 176.600 -0.327 0.000 0.992 387 E CA 1.019 57.313 56.400 -0.176 0.000 0.804 387 E CB -0.284 29.423 29.700 0.012 0.000 0.741 387 E HN 0.378 nan 8.360 nan 0.000 0.458 388 G N 0.387 108.836 108.800 -0.584 0.000 2.433 388 G HA2 -0.243 3.706 3.960 -0.018 0.000 0.216 388 G HA3 -0.243 3.706 3.960 -0.018 0.000 0.216 388 G C 1.687 176.351 174.900 -0.392 0.000 1.186 388 G CA 0.861 45.444 45.100 -0.862 0.000 0.779 388 G HN 0.159 nan 8.290 nan 0.000 0.543 389 V N 0.868 120.614 119.914 -0.280 0.000 2.407 389 V HA -0.161 3.948 4.120 -0.018 0.000 0.248 389 V C 2.780 178.759 176.094 -0.191 0.000 1.055 389 V CA 2.014 64.163 62.300 -0.253 0.000 1.049 389 V CB -0.492 31.230 31.823 -0.169 0.000 0.662 389 V HN 0.382 nan 8.190 nan 0.000 0.455 390 R N -0.061 120.377 120.500 -0.103 0.000 2.073 390 R HA -0.188 4.142 4.340 -0.018 0.000 0.234 390 R C 2.643 178.989 176.300 0.078 0.000 1.134 390 R CA 1.977 58.144 56.100 0.111 0.000 0.952 390 R CB -0.449 29.888 30.300 0.062 0.000 0.850 390 R HN 0.494 nan 8.270 nan 0.000 0.433 391 S N -0.421 115.250 115.700 -0.048 0.000 2.348 391 S HA -0.209 4.250 4.470 -0.018 0.000 0.221 391 S C 1.839 176.399 174.600 -0.068 0.000 1.033 391 S CA 1.339 59.541 58.200 0.003 0.000 1.010 391 S CB -0.550 62.681 63.200 0.052 0.000 0.891 391 S HN 0.526 nan 8.310 nan 0.000 0.442 392 Y N 2.178 122.195 120.300 -0.472 0.000 2.070 392 Y HA -0.112 4.427 4.550 -0.018 0.000 0.280 392 Y C 2.529 178.215 175.900 -0.357 0.000 1.148 392 Y CA 1.611 59.294 58.100 -0.695 0.000 1.125 392 Y CB -1.156 36.383 38.460 -1.535 0.000 0.975 392 Y HN 0.309 nan 8.280 nan 0.000 0.492 393 A N -0.959 121.601 122.820 -0.433 0.000 1.908 393 A HA -0.194 4.115 4.320 -0.018 0.000 0.218 393 A C 2.433 179.908 177.584 -0.181 0.000 1.181 393 A CA 2.087 53.814 52.037 -0.516 0.000 0.627 393 A CB -1.190 17.203 19.000 -1.012 0.000 0.818 393 A HN 0.503 nan 8.150 nan 0.000 0.445 394 S N -0.795 114.959 115.700 0.091 0.000 2.399 394 S HA -0.117 4.342 4.470 -0.018 0.000 0.231 394 S C 2.030 176.780 174.600 0.250 0.000 1.022 394 S CA 1.903 60.270 58.200 0.278 0.000 0.983 394 S CB -0.338 63.007 63.200 0.241 0.000 0.803 394 S HN 0.920 nan 8.310 nan 0.000 0.480 395 T N -2.393 112.239 114.554 0.130 0.000 2.990 395 T HA 0.177 4.516 4.350 -0.018 0.000 0.250 395 T C 0.684 175.272 174.700 -0.187 0.000 1.041 395 T CA 0.149 62.302 62.100 0.088 0.000 1.010 395 T CB -0.141 68.784 68.868 0.096 0.000 1.003 395 T HN 0.343 nan 8.240 nan 0.000 0.499 396 H N 0.500 119.286 119.070 -0.473 0.000 2.512 396 H HA 0.327 4.872 4.556 -0.018 0.000 0.276 396 H C 1.456 176.389 175.328 -0.658 0.000 1.126 396 H CA -1.143 54.495 56.048 -0.683 0.000 1.060 396 H CB -0.303 28.826 29.762 -1.055 0.000 1.646 396 H HN 0.476 nan 8.280 nan 0.000 0.571 397 W N -0.114 121.045 121.300 -0.234 0.000 2.308 397 W HA -0.264 4.386 4.660 -0.018 0.000 0.301 397 W C 1.364 177.787 176.519 -0.161 0.000 1.220 397 W CA 1.156 58.369 57.345 -0.219 0.000 1.240 397 W CB -0.963 28.405 29.460 -0.152 0.000 1.142 397 W HN 0.387 nan 8.180 nan 0.000 0.521 398 H N 0.720 118.923 119.070 -1.445 0.000 2.518 398 H HA -0.091 4.454 4.556 -0.018 0.000 0.289 398 H C 1.411 176.436 175.328 -0.506 0.000 1.051 398 H CA 1.901 57.257 56.048 -1.153 0.000 1.280 398 H CB -0.098 28.737 29.762 -1.545 0.000 1.380 398 H HN 0.116 nan 8.280 nan 0.000 0.566 399 T N 0.173 114.506 114.554 -0.368 0.000 3.086 399 T HA 0.141 4.481 4.350 -0.018 0.000 0.250 399 T C 1.625 176.231 174.700 -0.156 0.000 1.074 399 T CA -0.249 61.737 62.100 -0.191 0.000 0.988 399 T CB -0.074 68.750 68.868 -0.073 0.000 0.988 399 T HN 0.281 nan 8.240 nan 0.000 0.530 400 L N 1.121 122.228 121.223 -0.193 0.000 2.645 400 L HA 0.447 4.776 4.340 -0.018 0.000 0.234 400 L C 1.048 177.827 176.870 -0.150 0.000 1.165 400 L CA -0.294 54.459 54.840 -0.145 0.000 0.944 400 L CB -0.561 41.397 42.059 -0.170 0.000 1.149 400 L HN 0.309 nan 8.230 nan 0.000 0.446 401 G N 0.676 109.374 108.800 -0.170 0.000 2.742 401 G HA2 -0.161 3.788 3.960 -0.018 0.000 0.686 401 G HA3 -0.161 3.788 3.960 -0.018 0.000 0.686 401 G C 0.047 174.845 174.900 -0.169 0.000 1.220 401 G CA -0.174 44.835 45.100 -0.152 0.000 0.783 401 G HN 0.058 nan 8.290 nan 0.000 0.646 402 K N 0.850 121.162 120.400 -0.147 0.000 2.032 402 K HA -0.090 4.219 4.320 -0.018 0.000 0.209 402 K C 1.966 178.529 176.600 -0.062 0.000 1.048 402 K CA 2.783 58.995 56.287 -0.125 0.000 0.927 402 K CB -0.189 32.263 32.500 -0.080 0.000 0.712 402 K HN 0.466 nan 8.250 nan 0.000 0.441 403 N N -0.390 118.282 118.700 -0.047 0.000 2.349 403 N HA -0.048 4.681 4.740 -0.018 0.000 0.180 403 N C 1.840 177.347 175.510 -0.005 0.000 1.024 403 N CA 1.161 54.203 53.050 -0.014 0.000 0.869 403 N CB -0.242 38.239 38.487 -0.010 0.000 1.022 403 N HN -0.004 nan 8.380 nan 0.000 0.433 404 V N 1.643 121.538 119.914 -0.031 0.000 2.332 404 V HA -0.177 3.932 4.120 -0.018 0.000 0.248 404 V C 2.456 178.453 176.094 -0.162 0.000 1.055 404 V CA 2.234 64.499 62.300 -0.059 0.000 1.038 404 V CB -1.151 30.610 31.823 -0.105 0.000 0.651 404 V HN 0.374 nan 8.190 nan 0.000 0.450 405 G N -1.179 107.558 108.800 -0.106 0.000 2.408 405 G HA2 -0.209 3.740 3.960 -0.018 0.000 0.217 405 G HA3 -0.209 3.740 3.960 -0.018 0.000 0.217 405 G C 1.469 176.478 174.900 0.181 0.000 1.150 405 G CA 0.692 45.788 45.100 -0.007 0.000 0.776 405 G HN 0.559 nan 8.290 nan 0.000 0.542 406 E N 0.102 120.375 120.200 0.121 0.000 2.150 406 E HA -0.061 4.278 4.350 -0.018 0.000 0.193 406 E C 2.605 179.195 176.600 -0.017 0.000 0.985 406 E CA 0.861 57.303 56.400 0.070 0.000 0.814 406 E CB -0.008 29.726 29.700 0.057 0.000 0.752 406 E HN 0.410 nan 8.360 nan 0.000 0.466 407 S N 0.248 115.958 115.700 0.018 0.000 2.395 407 S HA -0.039 4.421 4.470 -0.018 0.000 0.225 407 S C 1.907 176.540 174.600 0.055 0.000 1.027 407 S CA 0.477 58.723 58.200 0.076 0.000 0.965 407 S CB -0.029 63.290 63.200 0.197 0.000 0.812 407 S HN 0.175 nan 8.310 nan 0.000 0.482 408 I N 1.350 121.870 120.570 -0.083 0.000 2.394 408 I HA -0.109 4.050 4.170 -0.018 0.000 0.251 408 I C 2.785 178.924 176.117 0.036 0.000 1.136 408 I CA 0.982 62.226 61.300 -0.094 0.000 1.425 408 I CB -0.354 37.437 38.000 -0.349 0.000 1.079 408 I HN 0.321 nan 8.210 nan 0.000 0.425 409 R N 1.773 122.209 120.500 -0.106 0.000 2.091 409 R HA -0.222 4.108 4.340 -0.018 0.000 0.238 409 R C 1.991 178.137 176.300 -0.257 0.000 1.136 409 R CA 2.152 57.995 56.100 -0.429 0.000 0.959 409 R CB -0.151 29.459 30.300 -1.149 0.000 0.856 409 R HN 0.573 nan 8.270 nan 0.000 0.437 410 E N -1.869 118.250 120.200 -0.135 0.000 2.385 410 E HA -0.098 4.241 4.350 -0.018 0.000 0.194 410 E C -0.354 176.316 176.600 0.118 0.000 1.013 410 E CA 0.202 56.580 56.400 -0.038 0.000 0.866 410 E CB 0.132 29.819 29.700 -0.022 0.000 0.832 410 E HN 0.397 nan 8.360 nan 0.000 0.500 411 Y N 0.107 120.426 120.300 0.032 0.000 2.318 411 Y HA 0.360 4.899 4.550 -0.018 0.000 0.317 411 Y C -2.082 173.949 175.900 0.219 0.000 1.290 411 Y CA -1.500 56.636 58.100 0.059 0.000 1.177 411 Y CB 0.796 39.290 38.460 0.058 0.000 1.307 411 Y HN 0.055 nan 8.280 nan 0.000 0.428 412 F N 4.012 123.318 119.950 -1.074 0.000 2.744 412 F HA 0.782 5.298 4.527 -0.018 0.000 0.311 412 F C -2.159 173.305 175.800 -0.560 0.000 1.144 412 F CA -0.594 56.871 58.000 -0.892 0.000 0.938 412 F CB 1.555 40.350 39.000 -0.342 0.000 1.292 412 F HN 0.557 nan 8.300 nan 0.000 0.444 413 E N 2.216 122.339 120.200 -0.128 0.000 2.392 413 E HA 0.654 4.994 4.350 -0.018 0.000 0.279 413 E C -1.988 174.737 176.600 0.208 0.000 0.964 413 E CA -1.051 55.311 56.400 -0.063 0.000 0.777 413 E CB 2.869 32.555 29.700 -0.024 0.000 1.249 413 E HN 0.733 nan 8.360 nan 0.000 0.449 414 I N 2.430 123.103 120.570 0.171 0.000 2.336 414 I HA 0.341 4.500 4.170 -0.018 0.000 0.292 414 I C -0.357 175.838 176.117 0.130 0.000 0.991 414 I CA -0.960 60.462 61.300 0.203 0.000 1.227 414 I CB 0.931 39.005 38.000 0.123 0.000 1.366 414 I HN 0.414 nan 8.210 nan 0.000 0.466 415 I N 4.925 125.600 120.570 0.174 0.000 2.693 415 I HA 0.635 4.794 4.170 -0.018 0.000 0.303 415 I C 0.168 176.349 176.117 0.106 0.000 1.025 415 I CA -0.278 61.084 61.300 0.103 0.000 1.086 415 I CB 1.683 39.742 38.000 0.097 0.000 1.268 415 I HN 0.737 nan 8.210 nan 0.000 0.440 416 S N 1.652 117.357 115.700 0.008 0.000 2.683 416 S HA 0.827 5.286 4.470 -0.018 0.000 0.269 416 S C -0.177 174.329 174.600 -0.158 0.000 1.165 416 S CA -0.134 58.042 58.200 -0.039 0.000 0.840 416 S CB 1.283 64.511 63.200 0.046 0.000 1.169 416 S HN 1.688 nan 8.310 nan 0.000 0.490 417 G N 1.172 109.842 108.800 -0.216 0.000 2.562 417 G HA2 -0.206 3.743 3.960 -0.018 0.000 0.250 417 G HA3 -0.206 3.743 3.960 -0.018 0.000 0.250 417 G C 0.433 175.048 174.900 -0.475 0.000 1.269 417 G CA 0.583 45.548 45.100 -0.225 0.000 0.919 417 G HN 0.906 nan 8.290 nan 0.000 0.574 418 E N 0.389 120.469 120.200 -0.199 0.000 2.077 418 E HA -0.133 4.206 4.350 -0.018 0.000 0.193 418 E C 2.296 178.804 176.600 -0.154 0.000 0.989 418 E CA 1.374 57.721 56.400 -0.088 0.000 0.800 418 E CB -0.341 29.398 29.700 0.064 0.000 0.746 418 E HN 0.649 nan 8.360 nan 0.000 0.452 419 K N 0.795 121.124 120.400 -0.120 0.000 2.444 419 K HA -0.173 4.136 4.320 -0.018 0.000 0.200 419 K C 1.848 178.382 176.600 -0.110 0.000 1.045 419 K CA 0.592 56.832 56.287 -0.079 0.000 0.934 419 K CB 0.011 32.480 32.500 -0.051 0.000 0.756 419 K HN 0.018 nan 8.250 nan 0.000 0.477 420 L N -0.384 120.683 121.223 -0.260 0.000 2.408 420 L HA 0.166 4.495 4.340 -0.018 0.000 0.215 420 L C 1.180 177.947 176.870 -0.172 0.000 1.081 420 L CA 1.046 55.739 54.840 -0.245 0.000 0.840 420 L CB -0.082 41.779 42.059 -0.330 0.000 1.002 420 L HN 0.103 nan 8.230 nan 0.000 0.468 421 F N -0.483 119.468 119.950 0.001 0.000 2.748 421 F HA -0.020 4.497 4.527 -0.018 0.000 0.299 421 F C 1.881 177.668 175.800 -0.023 0.000 1.154 421 F CA 0.206 58.197 58.000 -0.015 0.000 1.446 421 F CB -0.062 38.935 39.000 -0.004 0.000 1.112 421 F HN 0.031 nan 8.300 nan 0.000 0.584 422 K N -0.323 120.141 120.400 0.106 0.000 2.356 422 K HA 0.016 4.325 4.320 -0.018 0.000 0.195 422 K C 0.673 177.284 176.600 0.018 0.000 1.037 422 K CA 0.137 56.461 56.287 0.060 0.000 1.014 422 K CB 0.209 32.735 32.500 0.043 0.000 0.815 422 K HN -0.015 nan 8.250 nan 0.000 0.507 423 E N 0.860 121.050 120.200 -0.017 0.000 2.392 423 E HA 0.054 4.393 4.350 -0.018 0.000 0.256 423 E C -2.264 174.246 176.600 -0.151 0.000 1.145 423 E CA -1.976 54.370 56.400 -0.090 0.000 0.929 423 E CB 0.130 29.739 29.700 -0.151 0.000 0.998 423 E HN -0.132 nan 8.360 nan 0.000 0.442 424 P HA 0.040 nan 4.420 nan 0.000 0.218 424 P C 0.325 177.455 177.300 -0.284 0.000 1.793 424 P CA 0.238 63.223 63.100 -0.192 0.000 0.941 424 P CB -0.154 31.486 31.700 -0.101 0.000 1.919 425 V N -3.802 115.963 119.914 -0.249 0.000 3.382 425 V HA 0.033 4.143 4.120 -0.018 0.000 0.296 425 V C 1.886 177.927 176.094 -0.088 0.000 1.529 425 V CA 0.620 62.794 62.300 -0.210 0.000 1.048 425 V CB -0.579 31.073 31.823 -0.285 0.000 0.878 425 V HN 0.226 nan 8.190 nan 0.000 0.442 426 T N -0.479 114.050 114.554 -0.042 0.000 2.737 426 T HA -0.164 4.175 4.350 -0.018 0.000 0.269 426 T C 1.949 176.632 174.700 -0.028 0.000 1.040 426 T CA 2.311 64.407 62.100 -0.005 0.000 1.142 426 T CB -0.530 68.338 68.868 0.001 0.000 0.861 426 T HN 0.949 nan 8.240 nan 0.000 0.456 427 A N 1.847 124.644 122.820 -0.039 0.000 1.877 427 A HA -0.046 4.263 4.320 -0.018 0.000 0.216 427 A C 2.317 179.873 177.584 -0.047 0.000 1.186 427 A CA 1.791 53.806 52.037 -0.037 0.000 0.620 427 A CB -0.816 18.166 19.000 -0.031 0.000 0.822 427 A HN 0.521 nan 8.150 nan 0.000 0.443 428 E N 0.212 120.377 120.200 -0.059 0.000 2.085 428 E HA -0.140 4.199 4.350 -0.018 0.000 0.194 428 E C 1.895 178.451 176.600 -0.074 0.000 0.994 428 E CA 1.082 57.434 56.400 -0.080 0.000 0.801 428 E CB -0.422 29.220 29.700 -0.097 0.000 0.743 428 E HN 0.632 nan 8.360 nan 0.000 0.453 429 L N -0.420 120.772 121.223 -0.052 0.000 2.141 429 L HA -0.197 4.132 4.340 -0.018 0.000 0.209 429 L C 2.254 179.110 176.870 -0.024 0.000 1.094 429 L CA 0.695 55.519 54.840 -0.027 0.000 0.763 429 L CB -0.282 41.791 42.059 0.023 0.000 0.908 429 L HN 0.280 nan 8.230 nan 0.000 0.437 430 C N -0.248 119.033 119.300 -0.032 0.000 2.466 430 C HA -0.124 4.325 4.460 -0.018 0.000 0.278 430 C C 2.783 177.752 174.990 -0.037 0.000 1.288 430 C CA 0.949 59.947 59.018 -0.034 0.000 1.722 430 C CB -0.381 27.336 27.740 -0.038 0.000 2.017 430 C HN 0.567 nan 8.230 nan 0.000 0.488 431 E N 0.946 121.119 120.200 -0.045 0.000 2.072 431 E HA -0.200 4.139 4.350 -0.018 0.000 0.191 431 E C 2.085 178.654 176.600 -0.053 0.000 0.985 431 E CA 1.357 57.726 56.400 -0.051 0.000 0.801 431 E CB -0.548 29.114 29.700 -0.063 0.000 0.750 431 E HN 0.589 nan 8.360 nan 0.000 0.452 432 M N -0.634 118.931 119.600 -0.058 0.000 2.213 432 M HA -0.060 4.409 4.480 -0.018 0.000 0.263 432 M C 1.376 177.660 176.300 -0.026 0.000 1.062 432 M CA 1.415 56.682 55.300 -0.055 0.000 1.105 432 M CB 0.088 32.647 32.600 -0.068 0.000 1.385 432 M HN 0.217 nan 8.290 nan 0.000 0.417 433 M N -1.214 118.376 119.600 -0.018 0.000 2.371 433 M HA 0.226 4.695 4.480 -0.018 0.000 0.246 433 M C 1.023 177.318 176.300 -0.008 0.000 1.103 433 M CA 0.537 55.835 55.300 -0.003 0.000 1.010 433 M CB 0.573 33.176 32.600 0.005 0.000 1.457 433 M HN 0.510 nan 8.290 nan 0.000 0.486 434 G N 1.480 110.269 108.800 -0.019 0.000 2.160 434 G HA2 -0.212 3.737 3.960 -0.018 0.000 0.251 434 G HA3 -0.212 3.737 3.960 -0.018 0.000 0.251 434 G C 0.076 174.964 174.900 -0.020 0.000 1.008 434 G CA -0.141 44.947 45.100 -0.020 0.000 0.724 434 G HN 0.335 nan 8.290 nan 0.000 0.514 435 V N 1.365 121.266 119.914 -0.023 0.000 2.617 435 V HA 0.288 4.397 4.120 -0.018 0.000 0.304 435 V C 1.160 177.239 176.094 -0.026 0.000 1.040 435 V CA 1.301 63.586 62.300 -0.025 0.000 1.149 435 V CB 0.593 32.396 31.823 -0.033 0.000 0.914 435 V HN 0.790 nan 8.190 nan 0.000 0.487 436 K N 3.331 123.718 120.400 -0.023 0.000 2.400 436 K HA 0.733 5.042 4.320 -0.018 0.000 0.249 436 K C -0.167 176.420 176.600 -0.021 0.000 1.069 436 K CA -0.538 55.736 56.287 -0.022 0.000 0.965 436 K CB 0.821 33.310 32.500 -0.018 0.000 1.365 436 K HN 0.553 nan 8.250 nan 0.000 0.539 437 D N 0.000 120.389 120.400 -0.019 0.000 6.856 437 D HA 0.000 4.629 4.640 -0.018 0.000 0.175 437 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 437 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683