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 3mru_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSEFHSEIST LSPAPLWQFF DKICSIPHPS KHEEALAQYI VTWATEQGFD DATA SEQUENCE VRRDPTGNVF IKKPATPGME NKKGVVLQAH IDMVPQKNED TDHDFTQDPI DATA SEQUENCE QPYIDGEWVT AKGTTLGADN GIGMASCLAV LASKEIKHGP IEVLLTIDEE DATA SEQUENCE AGMTGAFGLE AGWLKGDILL NTDSEQEGEV YMGCAGGIDG AMTFDITRDA DATA SEQUENCE IPAGFITRQL TLKGLKGGHS GCDIHTGRGN ANKLIGRFLA GHAQELDLRL DATA SEQUENCE VEFRGGSLRN AIPREAFVTV ALPAENQDKL AELFNYYTEL LKTELGKIET DATA SEQUENCE DIVTFNEEVA TDAQVFAIAD QQRFIAALNA CPNGVMRMSD EVEGVVETSL DATA SEQUENCE NVGVITTEEN KVTVLCLIRS LIDSGRSQVE GMLQSVAELA GAQIEFSGAY DATA SEQUENCE PGWKPDADSE IMAIFRDMYE GIYGHKPNIM VIHAGLECGL FKEPYPNMDM DATA SEQUENCE VSFGPTIKFP HSPDEKVKID TVQLFWDQMV ALLEAIPEKA 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 0.000 176.353 176.300 0.088 0.000 1.140 1 M CA 0.000 55.363 55.300 0.105 0.000 0.988 1 M CB 0.000 32.657 32.600 0.094 0.000 1.302 2 S N -0.025 115.732 115.700 0.096 0.000 2.593 2 S HA 0.352 4.822 4.470 -0.001 0.000 0.236 2 S C -0.127 174.533 174.600 0.100 0.000 0.991 2 S CA -0.273 57.976 58.200 0.081 0.000 0.963 2 S CB 0.308 63.546 63.200 0.063 0.000 0.865 2 S HN 0.335 nan 8.310 nan 0.000 0.488 3 E N 0.717 120.986 120.200 0.116 0.000 3.374 3 E HA 0.380 4.730 4.350 -0.001 0.000 0.223 3 E C -0.466 176.192 176.600 0.096 0.000 1.210 3 E CA -0.252 56.203 56.400 0.092 0.000 0.987 3 E CB 0.396 30.138 29.700 0.070 0.000 1.322 3 E HN 0.372 nan 8.360 nan 0.000 0.404 4 F N 0.109 119.988 119.950 -0.119 0.000 2.446 4 F HA 0.114 4.641 4.527 -0.001 0.000 0.292 4 F C 1.178 176.792 175.800 -0.310 0.000 1.096 4 F CA 0.860 58.701 58.000 -0.265 0.000 1.438 4 F CB 0.488 39.224 39.000 -0.439 0.000 1.107 4 F HN 0.389 nan 8.300 nan 0.000 0.546 5 H N -1.126 117.956 119.070 0.020 0.000 2.520 5 H HA 0.306 4.861 4.556 -0.001 0.000 0.284 5 H C 0.066 175.352 175.328 -0.071 0.000 1.037 5 H CA -0.087 55.924 56.048 -0.062 0.000 1.168 5 H CB 0.128 29.913 29.762 0.038 0.000 1.497 5 H HN -0.091 nan 8.280 nan 0.000 0.547 6 S N 1.650 117.351 115.700 0.001 0.000 2.400 6 S HA 0.055 4.525 4.470 -0.001 0.000 0.295 6 S C 0.188 174.751 174.600 -0.062 0.000 1.113 6 S CA -0.530 57.657 58.200 -0.022 0.000 1.064 6 S CB 0.583 63.769 63.200 -0.023 0.000 0.990 6 S HN 0.354 nan 8.310 nan 0.000 0.502 7 E N 2.723 122.886 120.200 -0.062 0.000 2.299 7 E HA 0.159 4.508 4.350 -0.001 0.000 0.272 7 E C 0.686 177.227 176.600 -0.099 0.000 1.043 7 E CA -0.287 56.072 56.400 -0.068 0.000 0.895 7 E CB 0.173 29.842 29.700 -0.051 0.000 1.011 7 E HN 0.446 nan 8.360 nan 0.000 0.432 8 I N 2.949 123.473 120.570 -0.076 0.000 2.181 8 I HA -0.348 3.822 4.170 -0.001 0.000 0.247 8 I C 2.006 178.080 176.117 -0.072 0.000 1.081 8 I CA 1.484 62.734 61.300 -0.083 0.000 1.340 8 I CB -0.511 37.531 38.000 0.070 0.000 1.036 8 I HN 0.451 nan 8.210 nan 0.000 0.417 9 S N -0.784 114.908 115.700 -0.013 0.000 2.595 9 S HA -0.074 4.396 4.470 -0.001 0.000 0.235 9 S C 1.656 176.240 174.600 -0.026 0.000 0.974 9 S CA 1.331 59.539 58.200 0.014 0.000 0.942 9 S CB -0.560 62.643 63.200 0.004 0.000 0.766 9 S HN 0.729 nan 8.310 nan 0.000 0.536 10 T N -1.342 113.160 114.554 -0.088 0.000 3.084 10 T HA 0.413 4.763 4.350 -0.001 0.000 0.270 10 T C 0.359 174.964 174.700 -0.158 0.000 1.008 10 T CA -0.365 61.679 62.100 -0.093 0.000 0.900 10 T CB -0.157 68.666 68.868 -0.075 0.000 1.084 10 T HN 0.075 nan 8.240 nan 0.000 0.538 11 L N 2.971 124.007 121.223 -0.311 0.000 2.473 11 L HA 0.430 4.770 4.340 -0.001 0.000 0.268 11 L C 0.742 177.489 176.870 -0.205 0.000 1.215 11 L CA -0.616 53.936 54.840 -0.480 0.000 0.823 11 L CB 0.483 41.794 42.059 -1.247 0.000 1.099 11 L HN 0.331 nan 8.230 nan 0.000 0.483 12 S N 1.012 116.669 115.700 -0.072 0.000 2.525 12 S HA 0.571 5.041 4.470 -0.001 0.000 0.290 12 S C -2.564 172.192 174.600 0.260 0.000 1.152 12 S CA -1.603 56.650 58.200 0.089 0.000 1.072 12 S CB 1.427 64.651 63.200 0.041 0.000 1.027 12 S HN 0.363 nan 8.310 nan 0.000 0.500 13 P HA 0.257 nan 4.420 nan 0.000 0.276 13 P C 0.616 177.921 177.300 0.007 0.000 1.235 13 P CA -0.358 62.691 63.100 -0.086 0.000 0.772 13 P CB 1.208 32.572 31.700 -0.559 0.000 0.871 14 A N 6.239 129.057 122.820 -0.004 0.000 1.877 14 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 14 A C -0.431 177.137 177.584 -0.026 0.000 1.186 14 A CA 1.650 53.701 52.037 0.024 0.000 0.620 14 A CB -2.324 16.668 19.000 -0.012 0.000 0.822 14 A HN 0.395 nan 8.150 nan 0.000 0.443 15 P HA -0.191 nan 4.420 nan 0.000 0.217 15 P C 1.718 178.930 177.300 -0.147 0.000 1.151 15 P CA 1.108 64.107 63.100 -0.169 0.000 0.849 15 P CB -0.089 31.526 31.700 -0.140 0.000 0.787 16 L N -2.113 119.003 121.223 -0.177 0.000 1.993 16 L HA -0.079 4.260 4.340 -0.001 0.000 0.206 16 L C 2.174 179.054 176.870 0.017 0.000 1.074 16 L CA 1.617 56.378 54.840 -0.131 0.000 0.746 16 L CB -0.834 40.972 42.059 -0.423 0.000 0.896 16 L HN -0.055 nan 8.230 nan 0.000 0.435 17 W N 0.346 121.634 121.300 -0.020 0.000 2.364 17 W HA -0.207 4.452 4.660 -0.001 0.000 0.281 17 W C 2.672 179.235 176.519 0.074 0.000 1.219 17 W CA 1.239 58.626 57.345 0.069 0.000 1.220 17 W CB -0.223 29.243 29.460 0.010 0.000 1.127 17 W HN 0.332 nan 8.180 nan 0.000 0.556 18 Q N -0.436 119.474 119.800 0.183 0.000 2.002 18 Q HA -0.222 4.118 4.340 -0.001 0.000 0.204 18 Q C 2.003 177.993 176.000 -0.016 0.000 0.988 18 Q CA 2.287 58.092 55.803 0.003 0.000 0.843 18 Q CB -0.694 27.938 28.738 -0.177 0.000 0.908 18 Q HN 0.320 nan 8.270 nan 0.000 0.420 19 F N -1.026 118.930 119.950 0.010 0.000 2.161 19 F HA -0.229 4.297 4.527 -0.001 0.000 0.300 19 F C 1.974 177.756 175.800 -0.030 0.000 1.089 19 F CA 0.593 58.559 58.000 -0.057 0.000 1.282 19 F CB -0.149 38.781 39.000 -0.117 0.000 1.010 19 F HN 0.192 nan 8.300 nan 0.000 0.485 20 F N 1.217 121.230 119.950 0.104 0.000 2.171 20 F HA -0.238 4.289 4.527 -0.001 0.000 0.300 20 F C 2.195 178.026 175.800 0.052 0.000 1.090 20 F CA 1.679 59.700 58.000 0.035 0.000 1.293 20 F CB -0.612 38.383 39.000 -0.008 0.000 1.013 20 F HN -0.119 nan 8.300 nan 0.000 0.486 21 D N 0.157 120.586 120.400 0.048 0.000 2.144 21 D HA -0.189 4.451 4.640 -0.001 0.000 0.199 21 D C 2.140 178.343 176.300 -0.161 0.000 0.984 21 D CA 1.090 55.056 54.000 -0.058 0.000 0.834 21 D CB -0.062 40.760 40.800 0.037 0.000 0.955 21 D HN 0.193 nan 8.370 nan 0.000 0.465 22 K N 0.115 120.434 120.400 -0.135 0.000 1.991 22 K HA 0.016 4.336 4.320 -0.001 0.000 0.207 22 K C 2.087 178.489 176.600 -0.331 0.000 1.045 22 K CA 0.521 56.685 56.287 -0.205 0.000 0.937 22 K CB -0.407 32.004 32.500 -0.149 0.000 0.720 22 K HN -0.001 nan 8.250 nan 0.000 0.438 23 I N 1.176 121.547 120.570 -0.331 0.000 2.367 23 I HA -0.376 3.793 4.170 -0.001 0.000 0.256 23 I C 1.975 177.773 176.117 -0.533 0.000 1.132 23 I CA 1.274 62.304 61.300 -0.450 0.000 1.397 23 I CB -1.114 36.680 38.000 -0.344 0.000 1.074 23 I HN 0.315 nan 8.210 nan 0.000 0.435 24 C N 0.405 119.406 119.300 -0.498 0.000 2.514 24 C HA -0.007 4.453 4.460 -0.001 0.000 0.271 24 C C 2.882 177.747 174.990 -0.208 0.000 1.399 24 C CA 0.964 59.758 59.018 -0.373 0.000 1.765 24 C CB -0.999 26.480 27.740 -0.436 0.000 1.893 24 C HN 0.662 nan 8.230 nan 0.000 0.531 25 S N -0.494 115.067 115.700 -0.231 0.000 2.503 25 S HA 0.218 4.688 4.470 -0.001 0.000 0.217 25 S C 0.185 174.692 174.600 -0.155 0.000 0.999 25 S CA 0.322 58.425 58.200 -0.162 0.000 0.914 25 S CB -0.273 62.832 63.200 -0.159 0.000 0.782 25 S HN 0.365 nan 8.310 nan 0.000 0.520 26 I N 3.362 123.800 120.570 -0.221 0.000 2.312 26 I HA 0.439 4.609 4.170 -0.001 0.000 0.290 26 I C -2.738 173.350 176.117 -0.050 0.000 1.008 26 I CA -2.572 58.627 61.300 -0.168 0.000 1.226 26 I CB 1.368 39.216 38.000 -0.253 0.000 1.371 26 I HN -0.077 nan 8.210 nan 0.000 0.468 27 P HA 0.117 nan 4.420 nan 0.000 0.269 27 P C -0.748 176.722 177.300 0.284 0.000 1.263 27 P CA 0.225 63.445 63.100 0.200 0.000 0.813 27 P CB 0.065 31.817 31.700 0.087 0.000 0.868 28 H N 2.907 122.021 119.070 0.074 0.000 2.439 28 H HA 0.450 5.006 4.556 -0.001 0.000 0.228 28 H C -3.177 172.215 175.328 0.106 0.000 1.423 28 H CA -2.850 53.251 56.048 0.088 0.000 1.386 28 H CB 0.056 29.846 29.762 0.046 0.000 1.641 28 H HN 0.162 nan 8.280 nan 0.000 0.508 29 P HA 0.169 nan 4.420 nan 0.000 0.281 29 P C 0.073 177.389 177.300 0.026 0.000 1.264 29 P CA -0.495 62.564 63.100 -0.068 0.000 0.824 29 P CB 1.040 32.709 31.700 -0.053 0.000 1.092 30 S N 1.837 117.537 115.700 -0.000 0.000 2.599 30 S HA -0.036 4.433 4.470 -0.001 0.000 0.303 30 S C 0.566 175.253 174.600 0.144 0.000 1.267 30 S CA 0.131 58.358 58.200 0.044 0.000 1.055 30 S CB -0.510 62.688 63.200 -0.003 0.000 0.790 30 S HN 0.501 nan 8.310 nan 0.000 0.500 31 K N 0.010 120.493 120.400 0.138 0.000 3.573 31 K HA -0.167 4.152 4.320 -0.001 0.000 0.280 31 K C -0.725 175.890 176.600 0.025 0.000 1.257 31 K CA 1.361 57.722 56.287 0.123 0.000 0.990 31 K CB -1.642 30.955 32.500 0.161 0.000 1.297 31 K HN 0.886 nan 8.250 nan 0.000 0.488 32 H N 0.897 119.993 119.070 0.043 0.000 2.511 32 H HA 0.179 4.735 4.556 -0.001 0.000 0.228 32 H C 0.445 175.822 175.328 0.081 0.000 1.424 32 H CA -0.259 55.824 56.048 0.058 0.000 1.321 32 H CB 0.546 30.346 29.762 0.062 0.000 1.720 32 H HN 0.160 nan 8.280 nan 0.000 0.512 33 E N 0.086 120.370 120.200 0.140 0.000 2.685 33 E HA 0.087 4.436 4.350 -0.001 0.000 0.208 33 E C 0.442 177.104 176.600 0.104 0.000 0.996 33 E CA -0.011 56.475 56.400 0.143 0.000 1.054 33 E CB 0.644 30.423 29.700 0.131 0.000 1.075 33 E HN 0.230 nan 8.360 nan 0.000 0.460 34 E N 1.799 122.051 120.200 0.086 0.000 2.028 34 E HA -0.005 4.344 4.350 -0.001 0.000 0.190 34 E C 1.948 178.600 176.600 0.086 0.000 0.984 34 E CA 1.534 57.976 56.400 0.070 0.000 0.800 34 E CB -0.324 29.405 29.700 0.048 0.000 0.758 34 E HN 0.357 nan 8.360 nan 0.000 0.448 35 A N 1.461 124.336 122.820 0.091 0.000 1.881 35 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 35 A C 2.263 179.913 177.584 0.111 0.000 1.215 35 A CA 2.029 54.121 52.037 0.091 0.000 0.648 35 A CB -0.942 18.100 19.000 0.070 0.000 0.832 35 A HN 0.290 nan 8.150 nan 0.000 0.455 36 L N -0.640 120.635 121.223 0.086 0.000 2.056 36 L HA -0.016 4.324 4.340 -0.001 0.000 0.207 36 L C 2.808 179.753 176.870 0.125 0.000 1.078 36 L CA 2.072 56.959 54.840 0.077 0.000 0.749 36 L CB -1.149 40.911 42.059 0.002 0.000 0.901 36 L HN 0.419 nan 8.230 nan 0.000 0.433 37 A N -1.250 121.630 122.820 0.100 0.000 1.865 37 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 37 A C 2.161 179.812 177.584 0.111 0.000 1.191 37 A CA 1.680 53.770 52.037 0.088 0.000 0.623 37 A CB -0.581 18.461 19.000 0.070 0.000 0.826 37 A HN 0.511 nan 8.150 nan 0.000 0.444 38 Q N -1.296 118.575 119.800 0.119 0.000 1.956 38 Q HA -0.235 4.104 4.340 -0.001 0.000 0.208 38 Q C 1.988 178.081 176.000 0.154 0.000 0.998 38 Q CA 2.225 58.101 55.803 0.122 0.000 0.855 38 Q CB -1.053 27.756 28.738 0.117 0.000 0.928 38 Q HN 0.811 nan 8.270 nan 0.000 0.418 39 Y N 0.901 121.246 120.300 0.074 0.000 2.096 39 Y HA -0.299 4.250 4.550 -0.001 0.000 0.278 39 Y C 2.032 178.027 175.900 0.158 0.000 1.192 39 Y CA 1.770 59.929 58.100 0.099 0.000 1.143 39 Y CB -0.275 38.217 38.460 0.053 0.000 0.963 39 Y HN 0.091 nan 8.280 nan 0.000 0.505 40 I N -0.851 119.827 120.570 0.180 0.000 2.133 40 I HA -0.247 3.922 4.170 -0.001 0.000 0.238 40 I C 2.488 178.709 176.117 0.174 0.000 1.074 40 I CA 1.311 62.686 61.300 0.125 0.000 1.342 40 I CB -1.547 36.503 38.000 0.083 0.000 1.053 40 I HN 0.189 nan 8.210 nan 0.000 0.404 41 V N 0.512 120.506 119.914 0.132 0.000 2.231 41 V HA -0.372 3.748 4.120 -0.001 0.000 0.250 41 V C 2.616 178.776 176.094 0.111 0.000 1.058 41 V CA 2.669 65.046 62.300 0.129 0.000 1.022 41 V CB -1.211 30.674 31.823 0.103 0.000 0.640 41 V HN 0.439 nan 8.190 nan 0.000 0.445 42 T N -1.713 112.883 114.554 0.069 0.000 2.665 42 T HA -0.312 4.038 4.350 -0.001 0.000 0.268 42 T C 1.403 176.101 174.700 -0.004 0.000 1.035 42 T CA 2.419 64.532 62.100 0.023 0.000 1.151 42 T CB -0.384 68.494 68.868 0.017 0.000 0.862 42 T HN 0.709 nan 8.240 nan 0.000 0.438 43 W N 1.494 122.652 121.300 -0.237 0.000 2.335 43 W HA -0.110 4.549 4.660 -0.001 0.000 0.311 43 W C 2.358 178.858 176.519 -0.033 0.000 1.213 43 W CA 1.596 58.802 57.345 -0.233 0.000 1.274 43 W CB -0.566 28.668 29.460 -0.377 0.000 1.148 43 W HN 0.250 nan 8.180 nan 0.000 0.498 44 A N -0.691 122.224 122.820 0.158 0.000 2.067 44 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 44 A C 1.821 179.413 177.584 0.014 0.000 1.156 44 A CA 1.761 53.863 52.037 0.108 0.000 0.683 44 A CB -1.350 17.918 19.000 0.447 0.000 0.808 44 A HN 0.377 nan 8.150 nan 0.000 0.455 45 T N -3.138 111.405 114.554 -0.017 0.000 3.129 45 T HA 0.152 4.502 4.350 -0.001 0.000 0.251 45 T C 1.127 175.747 174.700 -0.134 0.000 1.117 45 T CA 0.820 62.894 62.100 -0.044 0.000 1.034 45 T CB 0.056 68.926 68.868 0.004 0.000 0.968 45 T HN 0.556 nan 8.240 nan 0.000 0.526 46 E N 0.738 120.805 120.200 -0.223 0.000 2.318 46 E HA 0.057 4.406 4.350 -0.001 0.000 0.193 46 E C 1.889 178.275 176.600 -0.357 0.000 0.998 46 E CA 0.286 56.532 56.400 -0.256 0.000 0.859 46 E CB 0.155 29.698 29.700 -0.263 0.000 0.812 46 E HN 0.465 nan 8.360 nan 0.000 0.492 47 Q N -0.228 119.262 119.800 -0.517 0.000 2.360 47 Q HA 0.069 4.409 4.340 -0.001 0.000 0.202 47 Q C 0.653 176.192 176.000 -0.768 0.000 0.915 47 Q CA 0.482 55.873 55.803 -0.687 0.000 0.943 47 Q CB 1.130 29.313 28.738 -0.926 0.000 1.064 47 Q HN 0.335 nan 8.270 nan 0.000 0.511 48 G N 1.752 110.274 108.800 -0.464 0.000 2.295 48 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.287 48 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.287 48 G C -0.464 174.263 174.900 -0.289 0.000 1.055 48 G CA -0.045 44.862 45.100 -0.323 0.000 0.922 48 G HN 0.177 nan 8.290 nan 0.000 0.503 49 F N 0.169 120.085 119.950 -0.057 0.000 2.399 49 F HA 0.420 4.947 4.527 -0.001 0.000 0.334 49 F C 0.761 176.569 175.800 0.014 0.000 1.097 49 F CA -1.783 56.210 58.000 -0.012 0.000 1.076 49 F CB 1.099 40.098 39.000 -0.002 0.000 1.162 49 F HN -0.014 nan 8.300 nan 0.000 0.495 50 D N 2.320 122.866 120.400 0.243 0.000 2.412 50 D HA 0.240 4.880 4.640 -0.001 0.000 0.257 50 D C -0.765 175.635 176.300 0.168 0.000 1.217 50 D CA 0.593 54.686 54.000 0.155 0.000 0.897 50 D CB 0.625 41.497 40.800 0.119 0.000 1.132 50 D HN 0.111 nan 8.370 nan 0.000 0.493 51 V N 5.341 125.347 119.914 0.153 0.000 2.623 51 V HA 0.519 4.638 4.120 -0.001 0.000 0.304 51 V C 0.141 176.329 176.094 0.157 0.000 1.054 51 V CA -0.856 61.543 62.300 0.165 0.000 0.882 51 V CB 2.105 34.025 31.823 0.162 0.000 1.002 51 V HN 0.530 nan 8.190 nan 0.000 0.424 52 R N 3.777 124.396 120.500 0.198 0.000 2.817 52 R HA 0.749 5.088 4.340 -0.001 0.000 0.268 52 R C -1.396 175.035 176.300 0.220 0.000 1.027 52 R CA -1.104 55.109 56.100 0.188 0.000 0.928 52 R CB 2.420 32.842 30.300 0.204 0.000 1.228 52 R HN 0.565 nan 8.270 nan 0.000 0.469 53 R N 0.423 121.013 120.500 0.149 0.000 2.711 53 R HA 0.259 4.599 4.340 -0.001 0.000 0.284 53 R C -0.728 175.514 176.300 -0.096 0.000 0.968 53 R CA -0.780 55.377 56.100 0.095 0.000 0.924 53 R CB 1.514 31.862 30.300 0.081 0.000 1.162 53 R HN 0.777 nan 8.270 nan 0.000 0.465 54 D N 2.352 122.524 120.400 -0.381 0.000 2.398 54 D HA 0.071 4.710 4.640 -0.001 0.000 0.247 54 D C -1.427 174.754 176.300 -0.198 0.000 1.227 54 D CA -1.555 52.032 54.000 -0.688 0.000 0.980 54 D CB 0.172 40.308 40.800 -1.107 0.000 1.106 54 D HN 0.181 nan 8.370 nan 0.000 0.493 55 P HA -0.175 nan 4.420 nan 0.000 0.219 55 P C 1.275 178.562 177.300 -0.022 0.000 1.146 55 P CA 1.388 64.481 63.100 -0.012 0.000 0.808 55 P CB -0.094 31.627 31.700 0.034 0.000 0.779 56 T N -2.337 112.188 114.554 -0.048 0.000 2.951 56 T HA 0.168 4.518 4.350 -0.001 0.000 0.268 56 T C 1.393 176.089 174.700 -0.006 0.000 1.073 56 T CA 1.761 63.852 62.100 -0.016 0.000 1.134 56 T CB -0.531 68.334 68.868 -0.004 0.000 0.884 56 T HN 0.322 nan 8.240 nan 0.000 0.479 57 G N 0.575 109.367 108.800 -0.014 0.000 2.367 57 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.181 57 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.181 57 G C -0.106 174.799 174.900 0.008 0.000 1.000 57 G CA -0.387 44.715 45.100 0.004 0.000 0.693 57 G HN 0.469 nan 8.290 nan 0.000 0.480 58 N N 0.784 119.483 118.700 -0.001 0.000 2.518 58 N HA 0.434 5.174 4.740 -0.001 0.000 0.266 58 N C 0.173 175.702 175.510 0.031 0.000 1.196 58 N CA 0.200 53.225 53.050 -0.042 0.000 0.947 58 N CB 1.889 40.309 38.487 -0.111 0.000 1.098 58 N HN 0.155 nan 8.380 nan 0.000 0.450 59 V N 2.800 122.629 119.914 -0.141 0.000 2.472 59 V HA 0.457 4.577 4.120 -0.001 0.000 0.290 59 V C -0.541 175.424 176.094 -0.215 0.000 1.037 59 V CA -0.488 61.797 62.300 -0.024 0.000 0.908 59 V CB 0.247 32.048 31.823 -0.036 0.000 0.985 59 V HN 0.379 nan 8.190 nan 0.000 0.454 60 F N 4.693 124.633 119.950 -0.017 0.000 2.507 60 F HA 0.659 5.186 4.527 -0.001 0.000 0.328 60 F C -0.153 175.655 175.800 0.013 0.000 1.136 60 F CA -0.828 57.171 58.000 -0.002 0.000 0.930 60 F CB 1.571 40.608 39.000 0.062 0.000 1.166 60 F HN 0.208 nan 8.300 nan 0.000 0.436 61 I N 3.515 124.140 120.570 0.093 0.000 2.439 61 I HA 0.298 4.468 4.170 -0.001 0.000 0.283 61 I C -0.371 175.716 176.117 -0.052 0.000 1.023 61 I CA -0.641 60.669 61.300 0.017 0.000 1.100 61 I CB 1.763 39.727 38.000 -0.060 0.000 1.238 61 I HN 0.492 nan 8.210 nan 0.000 0.445 62 K N 6.015 126.421 120.400 0.009 0.000 2.118 62 K HA 0.507 4.826 4.320 -0.001 0.000 0.267 62 K C -0.654 175.930 176.600 -0.026 0.000 0.991 62 K CA -0.653 55.641 56.287 0.011 0.000 0.916 62 K CB 1.283 33.830 32.500 0.079 0.000 1.041 62 K HN 0.443 nan 8.250 nan 0.000 0.455 63 K N 5.146 125.534 120.400 -0.021 0.000 2.619 63 K HA 0.302 4.622 4.320 -0.001 0.000 0.251 63 K C -2.700 173.971 176.600 0.119 0.000 0.987 63 K CA -1.758 54.563 56.287 0.057 0.000 0.844 63 K CB 1.488 33.917 32.500 -0.118 0.000 1.237 63 K HN 0.320 nan 8.250 nan 0.000 0.447 64 P HA -0.003 nan 4.420 nan 0.000 0.269 64 P C -0.494 176.932 177.300 0.210 0.000 1.215 64 P CA -0.218 62.973 63.100 0.151 0.000 0.780 64 P CB 0.676 32.451 31.700 0.125 0.000 0.898 65 A N 2.384 125.305 122.820 0.167 0.000 2.520 65 A HA 0.282 4.601 4.320 -0.001 0.000 0.235 65 A C 1.002 178.604 177.584 0.030 0.000 1.065 65 A CA 0.272 52.407 52.037 0.164 0.000 0.764 65 A CB -0.814 18.241 19.000 0.091 0.000 1.002 65 A HN 0.686 nan 8.150 nan 0.000 0.502 66 T N 0.687 115.133 114.554 -0.180 0.000 2.856 66 T HA 0.424 4.773 4.350 -0.001 0.000 0.306 66 T C -2.446 172.199 174.700 -0.092 0.000 1.062 66 T CA -1.238 60.730 62.100 -0.219 0.000 1.083 66 T CB -0.039 68.566 68.868 -0.439 0.000 0.984 66 T HN 0.435 nan 8.240 nan 0.000 0.542 67 P HA 0.242 nan 4.420 nan 0.000 0.261 67 P C 1.111 178.390 177.300 -0.035 0.000 1.173 67 P CA 1.586 64.668 63.100 -0.031 0.000 0.760 67 P CB -0.031 31.654 31.700 -0.026 0.000 0.783 68 G N 3.048 111.836 108.800 -0.020 0.000 4.013 68 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.255 68 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.255 68 G C -0.010 174.883 174.900 -0.012 0.000 1.765 68 G CA 0.002 45.091 45.100 -0.018 0.000 1.396 68 G HN 0.627 nan 8.290 nan 0.000 0.605 69 M N 1.316 120.906 119.600 -0.017 0.000 2.455 69 M HA 0.681 5.161 4.480 -0.001 0.000 0.331 69 M C 0.521 176.827 176.300 0.009 0.000 1.481 69 M CA 0.765 56.063 55.300 -0.004 0.000 1.362 69 M CB 1.018 33.615 32.600 -0.004 0.000 1.564 69 M HN 0.448 nan 8.290 nan 0.000 0.458 70 E N 3.173 123.381 120.200 0.013 0.000 2.175 70 E HA 0.075 4.424 4.350 -0.001 0.000 0.195 70 E C 1.178 177.793 176.600 0.026 0.000 0.934 70 E CA 0.931 57.345 56.400 0.023 0.000 0.870 70 E CB 0.379 30.090 29.700 0.018 0.000 0.838 70 E HN 0.774 nan 8.360 nan 0.000 0.474 71 N N 1.096 119.808 118.700 0.019 0.000 2.609 71 N HA -0.081 4.659 4.740 -0.001 0.000 0.190 71 N C -0.105 175.418 175.510 0.021 0.000 1.157 71 N CA 0.272 53.334 53.050 0.019 0.000 0.918 71 N CB 0.035 38.531 38.487 0.015 0.000 0.978 71 N HN -0.115 nan 8.380 nan 0.000 0.448 72 K N 2.510 122.925 120.400 0.024 0.000 2.477 72 K HA -0.006 4.314 4.320 -0.001 0.000 0.275 72 K C 0.161 176.778 176.600 0.028 0.000 1.054 72 K CA 0.576 56.879 56.287 0.027 0.000 1.135 72 K CB 0.030 32.551 32.500 0.035 0.000 0.854 72 K HN 0.138 nan 8.250 nan 0.000 0.484 73 K N 1.245 121.659 120.400 0.025 0.000 2.472 73 K HA 0.020 4.340 4.320 -0.001 0.000 0.280 73 K C 0.668 177.282 176.600 0.023 0.000 1.028 73 K CA 0.328 56.630 56.287 0.024 0.000 1.045 73 K CB 0.391 32.906 32.500 0.025 0.000 0.902 73 K HN 0.702 nan 8.250 nan 0.000 0.478 74 G N 2.575 111.388 108.800 0.021 0.000 2.343 74 G HA2 0.264 4.223 3.960 -0.001 0.000 0.254 74 G HA3 0.264 4.223 3.960 -0.001 0.000 0.254 74 G C 0.140 175.041 174.900 0.002 0.000 1.277 74 G CA -0.582 44.526 45.100 0.015 0.000 0.909 74 G HN 0.473 nan 8.290 nan 0.000 0.502 75 V N 1.101 121.012 119.914 -0.006 0.000 3.513 75 V HA 0.807 4.926 4.120 -0.001 0.000 0.297 75 V C -0.102 175.967 176.094 -0.041 0.000 1.058 75 V CA -0.813 61.479 62.300 -0.014 0.000 1.003 75 V CB 1.747 33.569 31.823 -0.002 0.000 1.236 75 V HN 0.540 nan 8.190 nan 0.000 0.436 76 V N 1.929 121.814 119.914 -0.048 0.000 2.532 76 V HA 0.431 4.550 4.120 -0.001 0.000 0.294 76 V C -0.416 175.637 176.094 -0.068 0.000 1.036 76 V CA -0.271 61.978 62.300 -0.084 0.000 0.876 76 V CB 1.145 32.889 31.823 -0.131 0.000 1.012 76 V HN 0.801 nan 8.190 nan 0.000 0.432 77 L N 5.055 126.232 121.223 -0.076 0.000 2.326 77 L HA 0.751 5.091 4.340 -0.001 0.000 0.278 77 L C -0.045 176.771 176.870 -0.090 0.000 1.092 77 L CA -0.113 54.699 54.840 -0.048 0.000 0.810 77 L CB 1.404 43.435 42.059 -0.046 0.000 1.153 77 L HN 0.851 nan 8.230 nan 0.000 0.439 78 Q N 3.234 122.999 119.800 -0.058 0.000 2.345 78 Q HA 0.894 5.234 4.340 -0.001 0.000 0.275 78 Q C -1.697 174.282 176.000 -0.034 0.000 1.063 78 Q CA -0.586 55.161 55.803 -0.092 0.000 0.819 78 Q CB 2.442 31.080 28.738 -0.166 0.000 1.356 78 Q HN 0.686 nan 8.270 nan 0.000 0.418 79 A N 1.446 124.233 122.820 -0.054 0.000 2.583 79 A HA 0.834 5.154 4.320 -0.001 0.000 0.289 79 A C -1.831 175.749 177.584 -0.006 0.000 1.151 79 A CA -0.405 51.606 52.037 -0.044 0.000 0.695 79 A CB 1.161 20.101 19.000 -0.100 0.000 1.290 79 A HN 1.193 nan 8.150 nan 0.000 0.419 80 H N -1.207 117.847 119.070 -0.027 0.000 2.529 80 H HA 0.698 5.254 4.556 -0.001 0.000 0.348 80 H C -0.163 175.165 175.328 0.001 0.000 1.079 80 H CA -0.777 55.260 56.048 -0.018 0.000 1.198 80 H CB 0.551 30.308 29.762 -0.008 0.000 1.521 80 H HN 0.362 nan 8.280 nan 0.000 0.514 81 I N 1.158 121.813 120.570 0.143 0.000 2.353 81 I HA -0.123 4.047 4.170 -0.001 0.000 0.248 81 I C 0.871 177.122 176.117 0.224 0.000 1.119 81 I CA 0.750 62.122 61.300 0.119 0.000 1.417 81 I CB -0.198 37.860 38.000 0.097 0.000 1.078 81 I HN 0.750 nan 8.210 nan 0.000 0.421 82 D N 1.681 122.254 120.400 0.288 0.000 2.344 82 D HA 0.146 4.785 4.640 -0.001 0.000 0.244 82 D C -0.249 176.122 176.300 0.118 0.000 1.134 82 D CA -0.143 53.953 54.000 0.160 0.000 0.930 82 D CB 2.158 43.017 40.800 0.098 0.000 1.175 82 D HN 0.076 nan 8.370 nan 0.000 0.437 83 M N 0.644 120.167 119.600 -0.129 0.000 2.775 83 M HA 0.432 4.912 4.480 -0.001 0.000 0.296 83 M C -1.781 174.413 176.300 -0.176 0.000 1.248 83 M CA -1.000 54.187 55.300 -0.188 0.000 0.800 83 M CB 2.336 34.636 32.600 -0.501 0.000 1.765 83 M HN 0.237 nan 8.290 nan 0.000 0.472 84 V N 3.002 122.790 119.914 -0.209 0.000 2.417 84 V HA 0.471 4.591 4.120 -0.001 0.000 0.291 84 V C -2.353 173.544 176.094 -0.327 0.000 1.024 84 V CA -1.541 60.608 62.300 -0.252 0.000 0.861 84 V CB 1.562 33.183 31.823 -0.337 0.000 0.985 84 V HN 0.668 nan 8.190 nan 0.000 0.436 85 P HA 0.319 nan 4.420 nan 0.000 0.279 85 P C -0.875 175.855 177.300 -0.950 0.000 1.318 85 P CA -0.119 62.167 63.100 -1.357 0.000 0.819 85 P CB 0.379 31.401 31.700 -1.130 0.000 0.927 86 Q N 2.852 122.226 119.800 -0.710 0.000 2.295 86 Q HA 0.373 4.713 4.340 -0.001 0.000 0.268 86 Q C -0.455 175.615 176.000 0.117 0.000 1.010 86 Q CA -0.659 55.016 55.803 -0.214 0.000 0.856 86 Q CB 3.324 32.008 28.738 -0.090 0.000 1.349 86 Q HN 0.514 nan 8.270 nan 0.000 0.412 87 K N 0.127 120.627 120.400 0.167 0.000 2.480 87 K HA 0.557 4.876 4.320 -0.001 0.000 0.258 87 K C -0.428 176.234 176.600 0.103 0.000 0.990 87 K CA -0.981 55.430 56.287 0.207 0.000 0.857 87 K CB 1.266 33.961 32.500 0.325 0.000 1.384 87 K HN 0.217 nan 8.250 nan 0.000 0.446 88 N N 1.437 120.182 118.700 0.075 0.000 2.479 88 N HA -0.025 4.715 4.740 -0.001 0.000 0.257 88 N C 0.324 175.864 175.510 0.050 0.000 1.232 88 N CA 0.017 53.095 53.050 0.047 0.000 0.920 88 N CB 0.721 39.228 38.487 0.033 0.000 1.105 88 N HN 0.696 nan 8.380 nan 0.000 0.444 89 E N 0.562 120.782 120.200 0.034 0.000 2.086 89 E HA -0.206 4.143 4.350 -0.001 0.000 0.205 89 E C -0.123 176.497 176.600 0.033 0.000 1.027 89 E CA 1.546 57.964 56.400 0.031 0.000 0.830 89 E CB -0.139 29.572 29.700 0.018 0.000 0.751 89 E HN 0.629 nan 8.360 nan 0.000 0.456 90 D N 0.318 120.734 120.400 0.027 0.000 2.619 90 D HA 0.108 4.747 4.640 -0.001 0.000 0.224 90 D C -0.378 175.940 176.300 0.029 0.000 1.133 90 D CA 0.091 54.106 54.000 0.024 0.000 1.017 90 D CB 0.428 41.237 40.800 0.016 0.000 1.077 90 D HN -0.085 nan 8.370 nan 0.000 0.503 91 T N 0.054 114.632 114.554 0.040 0.000 3.225 91 T HA 0.053 4.402 4.350 -0.001 0.000 0.356 91 T C -2.069 172.665 174.700 0.058 0.000 1.460 91 T CA -0.799 61.328 62.100 0.044 0.000 1.126 91 T CB 1.871 70.769 68.868 0.050 0.000 1.321 91 T HN 0.152 nan 8.240 nan 0.000 0.478 92 D N 3.103 123.530 120.400 0.045 0.000 2.441 92 D HA 0.184 4.824 4.640 -0.001 0.000 0.221 92 D C -0.885 175.443 176.300 0.046 0.000 1.156 92 D CA -0.025 53.996 54.000 0.034 0.000 0.896 92 D CB 0.177 40.982 40.800 0.008 0.000 1.028 92 D HN 0.541 nan 8.370 nan 0.000 0.509 93 H N 3.246 122.267 119.070 -0.081 0.000 3.181 93 H HA 0.101 4.657 4.556 -0.001 0.000 0.331 93 H C -1.570 173.648 175.328 -0.185 0.000 0.988 93 H CA -0.600 55.322 56.048 -0.210 0.000 1.449 93 H CB 1.456 30.980 29.762 -0.397 0.000 1.749 93 H HN 0.325 nan 8.280 nan 0.000 0.501 94 D N 4.800 124.937 120.400 -0.439 0.000 2.411 94 D HA 0.033 4.672 4.640 -0.001 0.000 0.225 94 D C 0.606 176.724 176.300 -0.303 0.000 1.156 94 D CA -0.455 53.412 54.000 -0.222 0.000 0.874 94 D CB -0.035 40.675 40.800 -0.151 0.000 1.034 94 D HN 0.382 nan 8.370 nan 0.000 0.502 95 F N 1.330 121.235 119.950 -0.075 0.000 2.449 95 F HA -0.151 4.375 4.527 -0.001 0.000 0.299 95 F C 2.506 178.256 175.800 -0.085 0.000 1.092 95 F CA 1.416 59.416 58.000 -0.001 0.000 1.446 95 F CB -0.163 38.858 39.000 0.035 0.000 1.084 95 F HN 0.416 nan 8.300 nan 0.000 0.567 96 T N -4.359 110.190 114.554 -0.009 0.000 3.037 96 T HA 0.032 4.382 4.350 -0.001 0.000 0.252 96 T C 1.610 176.297 174.700 -0.021 0.000 1.073 96 T CA 0.498 62.570 62.100 -0.046 0.000 1.091 96 T CB 0.116 68.926 68.868 -0.097 0.000 0.935 96 T HN 0.275 nan 8.240 nan 0.000 0.488 97 Q N 0.216 119.964 119.800 -0.087 0.000 2.369 97 Q HA 0.225 4.565 4.340 -0.001 0.000 0.254 97 Q C -0.618 175.291 176.000 -0.152 0.000 0.858 97 Q CA 0.007 55.753 55.803 -0.095 0.000 0.961 97 Q CB 0.807 29.491 28.738 -0.090 0.000 1.119 97 Q HN 0.410 nan 8.270 nan 0.000 0.538 98 D N 1.889 122.107 120.400 -0.304 0.000 2.163 98 D HA 0.219 4.859 4.640 -0.001 0.000 0.248 98 D C -2.442 173.751 176.300 -0.178 0.000 1.035 98 D CA -1.851 51.931 54.000 -0.362 0.000 0.872 98 D CB 1.120 41.481 40.800 -0.731 0.000 1.183 98 D HN -0.044 nan 8.370 nan 0.000 0.445 99 P HA 0.140 nan 4.420 nan 0.000 0.271 99 P C -0.374 177.003 177.300 0.128 0.000 1.218 99 P CA -0.428 62.687 63.100 0.023 0.000 0.780 99 P CB 0.644 32.332 31.700 -0.019 0.000 0.901 100 I N 2.121 122.734 120.570 0.072 0.000 2.471 100 I HA 0.072 4.242 4.170 -0.001 0.000 0.286 100 I C 1.293 177.420 176.117 0.017 0.000 1.079 100 I CA 0.625 61.944 61.300 0.031 0.000 1.398 100 I CB -0.367 37.654 38.000 0.035 0.000 1.403 100 I HN 0.227 nan 8.210 nan 0.000 0.530 101 Q N 7.904 127.725 119.800 0.035 0.000 2.810 101 Q HA 0.264 4.604 4.340 -0.001 0.000 0.236 101 Q C -2.180 173.912 176.000 0.153 0.000 1.278 101 Q CA -1.833 54.011 55.803 0.067 0.000 1.065 101 Q CB 0.437 29.208 28.738 0.056 0.000 1.364 101 Q HN 0.411 nan 8.270 nan 0.000 0.570 102 P HA -0.028 nan 4.420 nan 0.000 0.271 102 P C -1.261 176.187 177.300 0.247 0.000 1.216 102 P CA 0.166 63.393 63.100 0.211 0.000 0.776 102 P CB 0.395 32.257 31.700 0.270 0.000 0.881 103 Y N 0.287 120.639 120.300 0.086 0.000 2.638 103 Y HA 0.713 5.263 4.550 -0.001 0.000 0.339 103 Y C -1.010 174.924 175.900 0.058 0.000 1.084 103 Y CA -1.641 56.483 58.100 0.040 0.000 1.068 103 Y CB 1.014 39.485 38.460 0.018 0.000 1.294 103 Y HN 0.097 nan 8.280 nan 0.000 0.480 104 I N 2.504 123.102 120.570 0.048 0.000 2.321 104 I HA 0.281 4.451 4.170 -0.001 0.000 0.291 104 I C -1.144 174.998 176.117 0.042 0.000 0.998 104 I CA -0.191 61.086 61.300 -0.038 0.000 1.227 104 I CB 1.255 39.228 38.000 -0.046 0.000 1.368 104 I HN 0.579 nan 8.210 nan 0.000 0.466 105 D N 5.588 125.988 120.400 0.000 0.000 2.402 105 D HA 0.479 5.119 4.640 -0.001 0.000 0.252 105 D C 0.418 176.814 176.300 0.160 0.000 1.294 105 D CA 0.557 54.619 54.000 0.104 0.000 0.948 105 D CB 1.216 42.070 40.800 0.089 0.000 1.202 105 D HN 0.771 nan 8.370 nan 0.000 0.561 106 G N 4.073 112.950 108.800 0.127 0.000 2.561 106 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.289 106 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.289 106 G C 0.756 175.686 174.900 0.050 0.000 1.169 106 G CA 0.332 45.508 45.100 0.126 0.000 0.980 106 G HN 0.528 nan 8.290 nan 0.000 0.550 107 E N 0.231 120.428 120.200 -0.005 0.000 2.502 107 E HA 0.182 4.532 4.350 -0.001 0.000 0.194 107 E C 0.009 176.275 176.600 -0.558 0.000 1.062 107 E CA 0.437 56.625 56.400 -0.352 0.000 0.867 107 E CB 0.150 29.499 29.700 -0.585 0.000 0.888 107 E HN 0.406 nan 8.360 nan 0.000 0.510 108 W N -0.304 120.980 121.300 -0.027 0.000 2.902 108 W HA 0.464 5.124 4.660 -0.001 0.000 0.346 108 W C -0.682 175.791 176.519 -0.076 0.000 1.139 108 W CA -0.810 56.517 57.345 -0.031 0.000 1.139 108 W CB 0.981 30.421 29.460 -0.034 0.000 1.439 108 W HN -0.424 nan 8.180 nan 0.000 0.558 109 V N 1.930 121.973 119.914 0.217 0.000 2.376 109 V HA 0.499 4.619 4.120 -0.001 0.000 0.287 109 V C -0.167 175.953 176.094 0.043 0.000 1.015 109 V CA -0.432 61.914 62.300 0.077 0.000 0.834 109 V CB 1.044 32.985 31.823 0.197 0.000 1.001 109 V HN 0.592 nan 8.190 nan 0.000 0.428 110 T N 3.638 118.066 114.554 -0.211 0.000 2.927 110 T HA 0.820 5.169 4.350 -0.001 0.000 0.286 110 T C -0.211 174.427 174.700 -0.103 0.000 1.040 110 T CA -0.036 61.971 62.100 -0.154 0.000 1.010 110 T CB 1.742 70.520 68.868 -0.150 0.000 1.177 110 T HN 0.844 nan 8.240 nan 0.000 0.546 111 A N 2.133 125.008 122.820 0.092 0.000 2.301 111 A HA 0.636 4.956 4.320 -0.001 0.000 0.312 111 A C -0.288 177.492 177.584 0.326 0.000 1.182 111 A CA -0.562 51.598 52.037 0.205 0.000 0.826 111 A CB 0.416 19.486 19.000 0.117 0.000 1.134 111 A HN 0.748 nan 8.150 nan 0.000 0.501 112 K N 1.615 122.239 120.400 0.373 0.000 2.363 112 K HA 0.409 4.728 4.320 -0.001 0.000 0.289 112 K C 1.271 177.914 176.600 0.073 0.000 1.063 112 K CA 1.544 57.940 56.287 0.181 0.000 0.967 112 K CB -0.238 32.234 32.500 -0.046 0.000 0.987 112 K HN 1.432 nan 8.250 nan 0.000 0.473 113 G N 2.327 111.171 108.800 0.073 0.000 2.383 113 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.229 113 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.229 113 G C 0.304 175.215 174.900 0.019 0.000 1.089 113 G CA 0.512 45.627 45.100 0.027 0.000 0.640 113 G HN 0.868 nan 8.290 nan 0.000 0.510 114 T N -1.312 113.239 114.554 -0.006 0.000 2.858 114 T HA 0.677 5.027 4.350 -0.001 0.000 0.285 114 T C 0.474 175.223 174.700 0.081 0.000 1.052 114 T CA 0.727 62.840 62.100 0.023 0.000 1.009 114 T CB 1.204 69.970 68.868 -0.170 0.000 1.241 114 T HN 1.276 nan 8.240 nan 0.000 0.542 115 T N 0.558 115.198 114.554 0.143 0.000 2.908 115 T HA 0.206 4.556 4.350 -0.001 0.000 0.325 115 T C 0.925 175.696 174.700 0.119 0.000 1.092 115 T CA -0.207 61.962 62.100 0.115 0.000 1.125 115 T CB 0.312 69.227 68.868 0.078 0.000 1.016 115 T HN 0.715 nan 8.240 nan 0.000 0.550 116 L N 1.078 122.374 121.223 0.122 0.000 2.537 116 L HA 0.483 4.823 4.340 -0.001 0.000 0.224 116 L C 1.867 178.869 176.870 0.219 0.000 1.065 116 L CA 1.625 56.568 54.840 0.172 0.000 0.860 116 L CB -0.503 41.676 42.059 0.201 0.000 1.086 116 L HN 1.180 nan 8.230 nan 0.000 0.482 117 G N -0.381 108.511 108.800 0.153 0.000 2.143 117 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.249 117 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.249 117 G C 1.139 176.175 174.900 0.227 0.000 0.981 117 G CA 0.533 45.722 45.100 0.148 0.000 0.665 117 G HN 0.876 nan 8.290 nan 0.000 0.528 118 A N -0.108 122.825 122.820 0.188 0.000 2.194 118 A HA 0.259 4.578 4.320 -0.001 0.000 0.220 118 A C 1.237 178.773 177.584 -0.079 0.000 1.162 118 A CA 2.006 54.049 52.037 0.010 0.000 0.674 118 A CB -0.130 18.830 19.000 -0.067 0.000 0.789 118 A HN 1.239 nan 8.150 nan 0.000 0.470 119 D N -0.689 119.690 120.400 -0.034 0.000 2.461 119 D HA 0.276 4.916 4.640 -0.001 0.000 0.240 119 D C -0.711 175.471 176.300 -0.197 0.000 1.094 119 D CA -0.624 53.321 54.000 -0.093 0.000 0.868 119 D CB -0.385 40.408 40.800 -0.012 0.000 1.062 119 D HN 0.286 nan 8.370 nan 0.000 0.530 120 N N 2.354 120.835 118.700 -0.364 0.000 2.635 120 N HA 0.234 4.973 4.740 -0.001 0.000 0.307 120 N C 1.546 176.970 175.510 -0.144 0.000 1.433 120 N CA -0.651 52.249 53.050 -0.251 0.000 0.973 120 N CB 1.405 39.725 38.487 -0.278 0.000 1.304 120 N HN 0.510 nan 8.380 nan 0.000 0.507 121 G N 1.266 110.074 108.800 0.013 0.000 2.550 121 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.222 121 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.222 121 G C 1.295 176.317 174.900 0.203 0.000 1.113 121 G CA 0.876 46.141 45.100 0.274 0.000 0.748 121 G HN 0.335 nan 8.290 nan 0.000 0.585 122 I N 0.805 121.285 120.570 -0.151 0.000 2.429 122 I HA 0.070 4.240 4.170 -0.001 0.000 0.247 122 I C 3.082 179.117 176.117 -0.137 0.000 1.099 122 I CA 1.094 62.213 61.300 -0.302 0.000 1.422 122 I CB -1.698 35.963 38.000 -0.565 0.000 1.112 122 I HN 0.199 nan 8.210 nan 0.000 0.430 123 G N 2.837 111.517 108.800 -0.200 0.000 2.556 123 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.220 123 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.220 123 G C 1.766 176.644 174.900 -0.037 0.000 1.156 123 G CA 1.614 46.632 45.100 -0.138 0.000 0.766 123 G HN 0.544 nan 8.290 nan 0.000 0.583 124 M N -0.310 119.237 119.600 -0.088 0.000 2.334 124 M HA 0.496 4.975 4.480 -0.001 0.000 0.266 124 M C 2.610 178.834 176.300 -0.126 0.000 1.082 124 M CA 1.404 56.642 55.300 -0.104 0.000 1.141 124 M CB -0.065 32.457 32.600 -0.129 0.000 1.380 124 M HN 0.125 nan 8.290 nan 0.000 0.440 125 A N 0.960 123.737 122.820 -0.072 0.000 1.883 125 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 125 A C 2.373 179.936 177.584 -0.035 0.000 1.186 125 A CA 2.370 54.377 52.037 -0.050 0.000 0.624 125 A CB -1.274 17.763 19.000 0.062 0.000 0.822 125 A HN 0.674 nan 8.150 nan 0.000 0.444 126 S N -1.205 114.522 115.700 0.045 0.000 2.365 126 S HA -0.227 4.242 4.470 -0.001 0.000 0.225 126 S C 2.004 176.708 174.600 0.174 0.000 1.039 126 S CA 1.755 60.071 58.200 0.193 0.000 1.033 126 S CB -0.868 62.559 63.200 0.379 0.000 0.887 126 S HN 0.668 nan 8.310 nan 0.000 0.447 127 C N 1.042 120.362 119.300 0.034 0.000 2.432 127 C HA 0.054 4.514 4.460 -0.001 0.000 0.277 127 C C 2.560 177.486 174.990 -0.106 0.000 1.249 127 C CA 0.727 59.725 59.018 -0.033 0.000 1.725 127 C CB -1.595 26.087 27.740 -0.097 0.000 2.028 127 C HN 0.599 nan 8.230 nan 0.000 0.477 128 L N 1.027 122.069 121.223 -0.301 0.000 2.083 128 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 128 L C 2.879 179.599 176.870 -0.251 0.000 1.083 128 L CA 1.444 55.907 54.840 -0.628 0.000 0.752 128 L CB -0.873 40.249 42.059 -1.560 0.000 0.899 128 L HN 0.353 nan 8.230 nan 0.000 0.433 129 A N 0.317 123.167 122.820 0.050 0.000 1.859 129 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 129 A C 2.329 180.151 177.584 0.396 0.000 1.198 129 A CA 2.295 54.519 52.037 0.312 0.000 0.629 129 A CB -1.048 17.946 19.000 -0.010 0.000 0.830 129 A HN 0.190 nan 8.150 nan 0.000 0.446 130 V N 0.186 120.356 119.914 0.427 0.000 2.282 130 V HA -0.321 3.799 4.120 -0.001 0.000 0.249 130 V C 2.563 178.784 176.094 0.211 0.000 1.057 130 V CA 2.104 64.594 62.300 0.317 0.000 1.032 130 V CB -1.037 30.856 31.823 0.118 0.000 0.645 130 V HN 0.560 nan 8.190 nan 0.000 0.447 131 L N 0.099 121.400 121.223 0.130 0.000 2.013 131 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 131 L C 1.760 178.868 176.870 0.396 0.000 1.073 131 L CA 1.561 56.460 54.840 0.098 0.000 0.753 131 L CB -0.463 41.598 42.059 0.004 0.000 0.890 131 L HN 0.404 nan 8.230 nan 0.000 0.432 132 A N -0.621 122.528 122.820 0.549 0.000 3.094 132 A HA 0.425 4.745 4.320 -0.001 0.000 0.288 132 A C -0.017 177.819 177.584 0.421 0.000 1.519 132 A CA 0.104 52.497 52.037 0.593 0.000 1.227 132 A CB 0.155 19.665 19.000 0.850 0.000 1.175 132 A HN 0.132 nan 8.150 nan 0.000 0.568 133 S N 0.536 116.456 115.700 0.367 0.000 2.668 133 S HA 0.409 4.878 4.470 -0.001 0.000 0.277 133 S C 0.242 174.998 174.600 0.260 0.000 1.170 133 S CA -0.594 57.791 58.200 0.309 0.000 0.994 133 S CB 0.845 64.264 63.200 0.365 0.000 1.051 133 S HN 0.556 nan 8.310 nan 0.000 0.484 134 K N 2.576 123.089 120.400 0.188 0.000 2.358 134 K HA 0.236 4.556 4.320 -0.001 0.000 0.197 134 K C 0.855 177.510 176.600 0.092 0.000 1.025 134 K CA 0.080 56.445 56.287 0.130 0.000 1.104 134 K CB 0.493 33.053 32.500 0.101 0.000 0.855 134 K HN 0.585 nan 8.250 nan 0.000 0.531 135 E N 0.356 120.625 120.200 0.115 0.000 2.364 135 E HA 0.085 4.435 4.350 -0.001 0.000 0.196 135 E C 0.034 176.677 176.600 0.072 0.000 0.990 135 E CA 0.129 56.582 56.400 0.088 0.000 0.886 135 E CB 0.635 30.400 29.700 0.109 0.000 0.866 135 E HN 0.044 nan 8.360 nan 0.000 0.493 136 I N 2.225 122.856 120.570 0.101 0.000 2.342 136 I HA 0.178 4.348 4.170 -0.001 0.000 0.291 136 I C 0.170 176.274 176.117 -0.022 0.000 1.010 136 I CA -0.364 60.978 61.300 0.071 0.000 1.308 136 I CB 1.115 39.196 38.000 0.135 0.000 1.400 136 I HN -0.164 nan 8.210 nan 0.000 0.488 137 K N 6.299 126.659 120.400 -0.066 0.000 2.185 137 K HA 0.387 4.707 4.320 -0.001 0.000 0.271 137 K C -0.247 176.291 176.600 -0.103 0.000 1.013 137 K CA -0.233 55.961 56.287 -0.156 0.000 0.943 137 K CB 0.774 33.223 32.500 -0.085 0.000 0.998 137 K HN 0.733 nan 8.250 nan 0.000 0.468 138 H N -1.245 117.825 119.070 -0.000 0.000 3.003 138 H HA 0.321 4.877 4.556 -0.001 0.000 0.327 138 H C -0.288 175.041 175.328 0.002 0.000 1.353 138 H CA -1.291 54.752 56.048 -0.008 0.000 1.142 138 H CB 0.605 30.361 29.762 -0.009 0.000 1.864 138 H HN 0.723 nan 8.280 nan 0.000 0.529 139 G N 0.350 109.264 108.800 0.189 0.000 2.553 139 G HA2 0.354 4.314 3.960 -0.001 0.000 0.278 139 G HA3 0.354 4.314 3.960 -0.001 0.000 0.278 139 G C -2.417 172.596 174.900 0.187 0.000 1.349 139 G CA -1.248 43.930 45.100 0.131 0.000 1.037 139 G HN 0.495 nan 8.290 nan 0.000 0.508 140 P HA 0.211 nan 4.420 nan 0.000 0.270 140 P C -0.666 176.639 177.300 0.007 0.000 1.223 140 P CA 0.165 63.314 63.100 0.082 0.000 0.785 140 P CB 1.015 32.748 31.700 0.054 0.000 0.923 141 I N 1.422 121.961 120.570 -0.051 0.000 2.569 141 I HA 0.294 4.463 4.170 -0.001 0.000 0.290 141 I C 0.102 176.158 176.117 -0.102 0.000 1.088 141 I CA -0.609 60.615 61.300 -0.126 0.000 1.047 141 I CB 1.984 39.809 38.000 -0.291 0.000 1.237 141 I HN 0.351 nan 8.210 nan 0.000 0.421 142 E N 4.797 124.946 120.200 -0.086 0.000 2.165 142 E HA 0.484 4.833 4.350 -0.001 0.000 0.266 142 E C -0.992 175.541 176.600 -0.112 0.000 0.889 142 E CA -0.618 55.743 56.400 -0.065 0.000 0.756 142 E CB 3.003 32.693 29.700 -0.017 0.000 1.131 142 E HN 0.213 nan 8.360 nan 0.000 0.411 143 V N 4.140 123.974 119.914 -0.133 0.000 2.465 143 V HA 0.248 4.367 4.120 -0.001 0.000 0.279 143 V C -0.466 175.491 176.094 -0.227 0.000 1.045 143 V CA -0.573 61.628 62.300 -0.165 0.000 0.938 143 V CB 1.121 32.845 31.823 -0.164 0.000 0.986 143 V HN 0.489 nan 8.190 nan 0.000 0.467 144 L N 7.289 128.338 121.223 -0.290 0.000 2.313 144 L HA 0.659 4.998 4.340 -0.001 0.000 0.283 144 L C -0.979 175.680 176.870 -0.352 0.000 1.013 144 L CA 0.110 54.670 54.840 -0.466 0.000 0.816 144 L CB 1.300 43.013 42.059 -0.576 0.000 1.236 144 L HN 0.524 nan 8.230 nan 0.000 0.419 145 L N 4.883 125.889 121.223 -0.361 0.000 2.333 145 L HA 0.656 4.996 4.340 -0.001 0.000 0.280 145 L C -0.148 176.600 176.870 -0.204 0.000 1.004 145 L CA -0.574 54.139 54.840 -0.211 0.000 0.820 145 L CB 2.022 43.991 42.059 -0.151 0.000 1.247 145 L HN 0.724 nan 8.230 nan 0.000 0.416 146 T N -1.349 113.151 114.554 -0.091 0.000 2.918 146 T HA 0.498 4.847 4.350 -0.001 0.000 0.286 146 T C 0.794 175.510 174.700 0.028 0.000 1.026 146 T CA -0.749 61.323 62.100 -0.047 0.000 1.031 146 T CB 2.344 71.224 68.868 0.019 0.000 1.046 146 T HN 0.201 nan 8.240 nan 0.000 0.479 147 I N 0.308 120.889 120.570 0.019 0.000 2.400 147 I HA 0.244 4.414 4.170 -0.001 0.000 0.248 147 I C 0.633 176.772 176.117 0.036 0.000 1.109 147 I CA 0.746 62.067 61.300 0.035 0.000 1.425 147 I CB -0.503 37.512 38.000 0.025 0.000 1.094 147 I HN 0.710 nan 8.210 nan 0.000 0.425 148 D N -0.254 120.150 120.400 0.005 0.000 2.629 148 D HA 0.221 4.861 4.640 -0.001 0.000 0.250 148 D C 0.468 176.684 176.300 -0.140 0.000 1.126 148 D CA -0.060 53.916 54.000 -0.041 0.000 0.852 148 D CB 2.125 42.922 40.800 -0.004 0.000 1.335 148 D HN -0.028 nan 8.370 nan 0.000 0.518 149 E N 2.291 122.311 120.200 -0.301 0.000 2.541 149 E HA -0.018 4.332 4.350 -0.001 0.000 0.219 149 E C 0.613 177.049 176.600 -0.274 0.000 0.922 149 E CA 0.274 56.417 56.400 -0.427 0.000 1.095 149 E CB 0.866 29.969 29.700 -0.995 0.000 1.112 149 E HN 0.421 nan 8.360 nan 0.000 0.516 150 E N 0.625 120.713 120.200 -0.187 0.000 2.110 150 E HA 0.184 4.533 4.350 -0.001 0.000 0.193 150 E C 0.177 176.748 176.600 -0.048 0.000 0.950 150 E CA 0.798 57.148 56.400 -0.083 0.000 0.840 150 E CB 0.203 29.864 29.700 -0.065 0.000 0.809 150 E HN 0.059 nan 8.360 nan 0.000 0.465 151 A N 0.141 122.939 122.820 -0.037 0.000 2.910 151 A HA 0.576 4.895 4.320 -0.001 0.000 0.316 151 A C 0.939 178.530 177.584 0.010 0.000 1.493 151 A CA 0.111 52.142 52.037 -0.010 0.000 1.150 151 A CB -1.083 17.919 19.000 0.002 0.000 1.159 151 A HN 0.544 nan 8.150 nan 0.000 0.526 152 G N 1.722 110.530 108.800 0.015 0.000 2.168 152 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.263 152 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.263 152 G C 0.635 175.653 174.900 0.197 0.000 0.977 152 G CA 0.272 45.425 45.100 0.087 0.000 0.659 152 G HN 1.457 nan 8.290 nan 0.000 0.533 153 M N -1.015 118.625 119.600 0.066 0.000 2.461 153 M HA -0.246 4.233 4.480 -0.001 0.000 0.203 153 M C 1.458 177.851 176.300 0.155 0.000 0.428 153 M CA 1.309 56.609 55.300 0.001 0.000 0.509 153 M CB -2.660 29.797 32.600 -0.238 0.000 1.851 153 M HN 0.385 nan 8.290 nan 0.000 0.834 154 T N -0.735 113.932 114.554 0.189 0.000 2.802 154 T HA -0.173 4.176 4.350 -0.001 0.000 0.269 154 T C 1.811 176.606 174.700 0.158 0.000 1.062 154 T CA 1.761 63.981 62.100 0.200 0.000 1.133 154 T CB -0.314 68.615 68.868 0.101 0.000 0.852 154 T HN 0.820 nan 8.240 nan 0.000 0.485 155 G N 1.420 110.272 108.800 0.086 0.000 2.524 155 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.215 155 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.215 155 G C 1.885 176.846 174.900 0.101 0.000 1.239 155 G CA 0.816 45.956 45.100 0.066 0.000 0.798 155 G HN 0.594 nan 8.290 nan 0.000 0.557 156 A N -0.060 122.808 122.820 0.079 0.000 1.940 156 A HA 0.095 4.415 4.320 -0.001 0.000 0.219 156 A C 2.205 179.835 177.584 0.076 0.000 1.176 156 A CA 1.523 53.644 52.037 0.140 0.000 0.631 156 A CB -0.506 18.400 19.000 -0.157 0.000 0.814 156 A HN 0.271 nan 8.150 nan 0.000 0.446 157 F N 0.644 120.644 119.950 0.083 0.000 2.084 157 F HA 0.118 4.644 4.527 -0.001 0.000 0.296 157 F C 2.005 177.845 175.800 0.067 0.000 1.111 157 F CA 0.310 58.349 58.000 0.065 0.000 1.224 157 F CB -1.212 37.809 39.000 0.034 0.000 0.991 157 F HN 0.208 nan 8.300 nan 0.000 0.471 158 G N 0.875 109.827 108.800 0.255 0.000 2.305 158 G HA2 0.361 4.321 3.960 -0.001 0.000 0.243 158 G HA3 0.361 4.321 3.960 -0.001 0.000 0.243 158 G C -0.408 174.564 174.900 0.119 0.000 1.288 158 G CA 0.194 45.379 45.100 0.141 0.000 0.901 158 G HN 0.317 nan 8.290 nan 0.000 0.516 159 L N 0.538 121.816 121.223 0.092 0.000 2.976 159 L HA 0.106 4.445 4.340 -0.001 0.000 0.266 159 L C -1.133 175.819 176.870 0.136 0.000 0.858 159 L CA -0.808 54.080 54.840 0.081 0.000 1.104 159 L CB 0.387 42.538 42.059 0.153 0.000 1.723 159 L HN 0.810 nan 8.230 nan 0.000 0.376 160 E N -0.787 119.539 120.200 0.209 0.000 2.427 160 E HA 0.655 5.005 4.350 -0.001 0.000 0.279 160 E C -1.143 175.506 176.600 0.083 0.000 1.120 160 E CA -0.369 56.120 56.400 0.147 0.000 0.869 160 E CB 1.219 31.054 29.700 0.224 0.000 1.393 160 E HN 0.746 nan 8.360 nan 0.000 0.443 161 A N 0.200 122.848 122.820 -0.287 0.000 2.313 161 A HA 0.635 4.954 4.320 -0.001 0.000 0.261 161 A C 1.212 178.808 177.584 0.021 0.000 1.090 161 A CA 0.497 52.121 52.037 -0.689 0.000 0.807 161 A CB -0.372 18.191 19.000 -0.729 0.000 1.055 161 A HN 1.422 nan 8.150 nan 0.000 0.492 162 G N -1.773 107.172 108.800 0.242 0.000 2.176 162 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.253 162 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.253 162 G C 0.493 175.319 174.900 -0.124 0.000 0.979 162 G CA 0.891 46.021 45.100 0.050 0.000 0.641 162 G HN 0.746 nan 8.290 nan 0.000 0.530 163 W N -0.298 121.103 121.300 0.168 0.000 2.630 163 W HA 0.611 5.270 4.660 -0.001 0.000 0.275 163 W C 1.246 177.766 176.519 0.002 0.000 1.192 163 W CA -0.134 57.183 57.345 -0.045 0.000 1.410 163 W CB 0.049 29.392 29.460 -0.196 0.000 1.075 163 W HN 0.161 nan 8.180 nan 0.000 0.581 164 L N 1.104 122.470 121.223 0.239 0.000 2.399 164 L HA 0.283 4.623 4.340 -0.001 0.000 0.265 164 L C 1.092 177.959 176.870 -0.005 0.000 1.089 164 L CA 0.071 54.910 54.840 -0.003 0.000 0.802 164 L CB 0.840 42.686 42.059 -0.355 0.000 1.180 164 L HN -0.220 nan 8.230 nan 0.000 0.454 165 K N 0.305 120.694 120.400 -0.018 0.000 2.477 165 K HA 0.320 4.640 4.320 -0.001 0.000 0.208 165 K C 0.346 176.938 176.600 -0.014 0.000 1.117 165 K CA -0.008 56.281 56.287 0.004 0.000 1.039 165 K CB 1.066 33.575 32.500 0.016 0.000 0.937 165 K HN 0.727 nan 8.250 nan 0.000 0.570 166 G N 0.867 109.634 108.800 -0.054 0.000 2.503 166 G HA2 0.001 3.961 3.960 -0.001 0.000 0.257 166 G HA3 0.001 3.961 3.960 -0.001 0.000 0.257 166 G C 0.148 175.025 174.900 -0.039 0.000 1.214 166 G CA -0.177 44.896 45.100 -0.045 0.000 0.839 166 G HN 0.035 nan 8.290 nan 0.000 0.559 167 D N 0.033 120.430 120.400 -0.004 0.000 2.366 167 D HA -0.001 4.638 4.640 -0.001 0.000 0.205 167 D C 0.166 176.480 176.300 0.024 0.000 1.022 167 D CA 0.165 54.177 54.000 0.019 0.000 0.868 167 D CB 0.291 41.112 40.800 0.036 0.000 0.953 167 D HN 0.025 nan 8.370 nan 0.000 0.514 168 I N 1.949 122.527 120.570 0.013 0.000 2.603 168 I HA 0.349 4.519 4.170 -0.001 0.000 0.300 168 I C -0.290 175.835 176.117 0.013 0.000 1.017 168 I CA -1.293 60.026 61.300 0.032 0.000 1.098 168 I CB 1.823 39.850 38.000 0.044 0.000 1.279 168 I HN -0.089 nan 8.210 nan 0.000 0.437 169 L N 6.607 127.853 121.223 0.040 0.000 2.406 169 L HA 0.497 4.837 4.340 -0.001 0.000 0.272 169 L C -1.716 175.212 176.870 0.097 0.000 0.980 169 L CA -0.589 54.268 54.840 0.028 0.000 0.831 169 L CB 1.805 43.865 42.059 0.001 0.000 1.253 169 L HN 0.205 nan 8.230 nan 0.000 0.406 170 L N 5.566 126.856 121.223 0.113 0.000 2.276 170 L HA 0.446 4.785 4.340 -0.001 0.000 0.286 170 L C 0.234 177.211 176.870 0.179 0.000 1.024 170 L CA -0.159 54.816 54.840 0.226 0.000 0.826 170 L CB 0.809 43.040 42.059 0.286 0.000 1.211 170 L HN 0.620 nan 8.230 nan 0.000 0.422 171 N N 1.727 120.548 118.700 0.202 0.000 2.456 171 N HA 0.222 4.961 4.740 -0.001 0.000 0.288 171 N C 0.542 176.067 175.510 0.024 0.000 1.059 171 N CA -0.092 53.030 53.050 0.121 0.000 0.946 171 N CB 1.783 40.342 38.487 0.120 0.000 1.150 171 N HN 0.616 nan 8.380 nan 0.000 0.479 172 T N -0.926 113.588 114.554 -0.067 0.000 3.174 172 T HA 0.122 4.472 4.350 -0.001 0.000 0.269 172 T C 0.643 175.192 174.700 -0.251 0.000 1.017 172 T CA -0.329 61.616 62.100 -0.258 0.000 0.899 172 T CB 0.206 68.989 68.868 -0.141 0.000 1.077 172 T HN 0.332 nan 8.240 nan 0.000 0.552 173 D N 2.419 122.770 120.400 -0.083 0.000 2.305 173 D HA 0.037 4.676 4.640 -0.001 0.000 0.206 173 D C 1.273 177.578 176.300 0.009 0.000 0.974 173 D CA 0.260 54.251 54.000 -0.015 0.000 0.871 173 D CB 0.151 40.997 40.800 0.077 0.000 0.947 173 D HN 0.578 nan 8.370 nan 0.000 0.516 174 S N 0.073 115.806 115.700 0.055 0.000 2.589 174 S HA 0.106 4.576 4.470 -0.001 0.000 0.265 174 S C 0.346 174.968 174.600 0.037 0.000 1.342 174 S CA -0.294 58.008 58.200 0.169 0.000 1.005 174 S CB 1.025 64.436 63.200 0.351 0.000 0.909 174 S HN 0.055 nan 8.310 nan 0.000 0.555 175 E N -0.006 120.244 120.200 0.084 0.000 2.869 175 E HA 0.330 4.680 4.350 -0.001 0.000 0.207 175 E C -0.661 175.955 176.600 0.026 0.000 0.986 175 E CA -0.269 56.139 56.400 0.013 0.000 1.131 175 E CB 0.475 30.190 29.700 0.025 0.000 1.098 175 E HN 0.571 nan 8.360 nan 0.000 0.459 176 Q N 1.667 121.489 119.800 0.038 0.000 2.274 176 Q HA 0.239 4.578 4.340 -0.001 0.000 0.268 176 Q C -1.295 174.759 176.000 0.091 0.000 1.015 176 Q CA -0.832 55.001 55.803 0.049 0.000 0.775 176 Q CB 1.321 30.082 28.738 0.039 0.000 1.256 176 Q HN 0.083 nan 8.270 nan 0.000 0.442 177 E N 2.861 123.135 120.200 0.123 0.000 2.493 177 E HA 0.348 4.697 4.350 -0.001 0.000 0.255 177 E C 0.637 177.362 176.600 0.208 0.000 0.999 177 E CA 1.508 58.036 56.400 0.213 0.000 0.934 177 E CB 0.022 29.839 29.700 0.195 0.000 0.940 177 E HN 0.820 nan 8.360 nan 0.000 0.473 178 G N 3.551 112.518 108.800 0.277 0.000 2.163 178 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.213 178 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.213 178 G C -0.422 174.473 174.900 -0.008 0.000 0.991 178 G CA 0.073 45.295 45.100 0.202 0.000 0.653 178 G HN 0.791 nan 8.290 nan 0.000 0.518 179 E N -0.458 119.717 120.200 -0.041 0.000 2.287 179 E HA 0.628 4.978 4.350 -0.001 0.000 0.274 179 E C -0.685 175.698 176.600 -0.363 0.000 0.896 179 E CA -1.049 55.219 56.400 -0.219 0.000 0.788 179 E CB 2.419 31.986 29.700 -0.221 0.000 1.244 179 E HN 0.314 nan 8.360 nan 0.000 0.408 180 V N 2.845 122.480 119.914 -0.465 0.000 2.881 180 V HA 0.438 4.558 4.120 -0.001 0.000 0.316 180 V C -0.875 174.892 176.094 -0.544 0.000 1.070 180 V CA -0.841 61.154 62.300 -0.508 0.000 0.976 180 V CB 1.171 32.562 31.823 -0.721 0.000 1.038 180 V HN 0.646 nan 8.190 nan 0.000 0.446 181 Y N 2.602 122.873 120.300 -0.049 0.000 2.352 181 Y HA 0.441 4.990 4.550 -0.001 0.000 0.339 181 Y C 1.037 176.827 175.900 -0.183 0.000 0.992 181 Y CA -0.870 57.182 58.100 -0.080 0.000 1.100 181 Y CB 1.890 40.396 38.460 0.078 0.000 1.192 181 Y HN 0.699 nan 8.280 nan 0.000 0.458 182 M N 0.582 119.986 119.600 -0.327 0.000 2.367 182 M HA 0.595 5.075 4.480 -0.001 0.000 0.256 182 M C 0.385 175.780 176.300 -1.509 0.000 1.091 182 M CA 0.271 55.261 55.300 -0.516 0.000 1.049 182 M CB 0.971 33.415 32.600 -0.260 0.000 1.406 182 M HN 0.662 nan 8.290 nan 0.000 0.498 183 G N 0.670 108.366 108.800 -1.841 0.000 2.506 183 G HA2 0.553 4.513 3.960 -0.001 0.000 0.292 183 G HA3 0.553 4.513 3.960 -0.001 0.000 0.292 183 G C -1.579 172.877 174.900 -0.739 0.000 1.425 183 G CA -0.309 43.599 45.100 -1.988 0.000 0.788 183 G HN 0.601 nan 8.290 nan 0.000 0.490 184 C N -1.904 117.274 119.300 -0.203 0.000 3.320 184 C HA 0.953 5.413 4.460 -0.001 0.000 0.335 184 C C 0.229 175.239 174.990 0.033 0.000 1.430 184 C CA -0.371 58.642 59.018 -0.008 0.000 1.271 184 C CB 1.179 28.971 27.740 0.087 0.000 1.609 184 C HN 2.151 nan 8.230 nan 0.000 0.457 185 A N 0.848 123.662 122.820 -0.009 0.000 2.328 185 A HA 0.731 5.051 4.320 -0.001 0.000 0.284 185 A C 0.675 178.229 177.584 -0.049 0.000 1.160 185 A CA 0.627 52.603 52.037 -0.101 0.000 0.818 185 A CB -0.138 18.620 19.000 -0.402 0.000 1.087 185 A HN 2.049 nan 8.150 nan 0.000 0.504 186 G N 0.596 109.325 108.800 -0.119 0.000 2.553 186 G HA2 0.602 4.562 3.960 -0.001 0.000 0.278 186 G HA3 0.602 4.562 3.960 -0.001 0.000 0.278 186 G C 0.284 174.830 174.900 -0.590 0.000 1.349 186 G CA -0.013 44.895 45.100 -0.320 0.000 1.037 186 G HN 1.611 nan 8.290 nan 0.000 0.508 187 G N -2.103 105.998 108.800 -1.166 0.000 2.559 187 G HA2 0.547 4.507 3.960 -0.001 0.000 0.291 187 G HA3 0.547 4.507 3.960 -0.001 0.000 0.291 187 G C -2.159 172.388 174.900 -0.588 0.000 1.424 187 G CA -0.388 44.249 45.100 -0.770 0.000 0.786 187 G HN 1.071 nan 8.290 nan 0.000 0.485 188 I N -0.123 120.342 120.570 -0.175 0.000 2.753 188 I HA 0.437 4.607 4.170 -0.001 0.000 0.291 188 I C -1.786 174.406 176.117 0.124 0.000 1.425 188 I CA -0.942 60.354 61.300 -0.005 0.000 1.039 188 I CB 2.335 40.299 38.000 -0.060 0.000 1.349 188 I HN 0.478 nan 8.210 nan 0.000 0.430 189 D N 5.093 125.599 120.400 0.176 0.000 2.256 189 D HA 0.634 5.274 4.640 -0.001 0.000 0.250 189 D C 0.133 176.561 176.300 0.214 0.000 1.093 189 D CA 0.203 54.296 54.000 0.156 0.000 0.882 189 D CB 1.453 42.316 40.800 0.104 0.000 1.185 189 D HN 0.741 nan 8.370 nan 0.000 0.437 190 G N -0.151 108.717 108.800 0.114 0.000 2.453 190 G HA2 0.666 4.626 3.960 -0.001 0.000 0.323 190 G HA3 0.666 4.626 3.960 -0.001 0.000 0.323 190 G C -1.300 173.489 174.900 -0.184 0.000 1.198 190 G CA -0.967 44.041 45.100 -0.154 0.000 0.959 190 G HN 0.540 nan 8.290 nan 0.000 0.482 191 A N 1.795 124.421 122.820 -0.323 0.000 2.599 191 A HA 0.607 4.927 4.320 -0.001 0.000 0.281 191 A C -0.572 176.874 177.584 -0.230 0.000 1.137 191 A CA -0.446 51.472 52.037 -0.197 0.000 0.767 191 A CB 0.968 19.877 19.000 -0.151 0.000 1.266 191 A HN 0.731 nan 8.150 nan 0.000 0.420 192 M N 2.578 122.090 119.600 -0.147 0.000 2.157 192 M HA 0.497 4.976 4.480 -0.001 0.000 0.354 192 M C -0.649 175.587 176.300 -0.106 0.000 1.170 192 M CA 0.250 55.455 55.300 -0.157 0.000 1.060 192 M CB 1.143 33.699 32.600 -0.074 0.000 1.615 192 M HN 0.609 nan 8.290 nan 0.000 0.460 193 T N 4.570 118.983 114.554 -0.236 0.000 2.876 193 T HA 0.695 5.045 4.350 -0.001 0.000 0.289 193 T C -1.604 172.914 174.700 -0.304 0.000 1.014 193 T CA -0.273 61.743 62.100 -0.139 0.000 0.986 193 T CB 0.770 69.576 68.868 -0.103 0.000 1.021 193 T HN 0.497 nan 8.240 nan 0.000 0.458 194 F N 1.924 121.839 119.950 -0.058 0.000 2.532 194 F HA 0.459 4.986 4.527 -0.001 0.000 0.321 194 F C -0.234 175.508 175.800 -0.097 0.000 1.089 194 F CA -1.027 56.941 58.000 -0.054 0.000 0.926 194 F CB 1.754 40.729 39.000 -0.041 0.000 1.168 194 F HN 0.438 nan 8.300 nan 0.000 0.459 195 D N 3.591 124.042 120.400 0.087 0.000 2.280 195 D HA 0.493 5.133 4.640 -0.001 0.000 0.236 195 D C -0.574 175.704 176.300 -0.037 0.000 1.082 195 D CA -0.275 53.721 54.000 -0.006 0.000 0.834 195 D CB 1.154 41.941 40.800 -0.021 0.000 1.100 195 D HN 0.419 nan 8.370 nan 0.000 0.486 196 I N -1.051 119.433 120.570 -0.142 0.000 2.406 196 I HA 0.532 4.701 4.170 -0.001 0.000 0.290 196 I C -0.059 175.929 176.117 -0.215 0.000 0.999 196 I CA -0.897 60.252 61.300 -0.252 0.000 1.124 196 I CB 2.043 39.678 38.000 -0.609 0.000 1.289 196 I HN 0.183 nan 8.210 nan 0.000 0.441 197 T N 5.449 119.907 114.554 -0.159 0.000 2.856 197 T HA 0.481 4.830 4.350 -0.001 0.000 0.292 197 T C -0.093 174.523 174.700 -0.141 0.000 0.980 197 T CA -0.550 61.478 62.100 -0.120 0.000 1.091 197 T CB 0.617 69.445 68.868 -0.067 0.000 0.936 197 T HN 0.768 nan 8.240 nan 0.000 0.503 198 R N 4.000 124.428 120.500 -0.120 0.000 2.445 198 R HA 0.509 4.849 4.340 -0.001 0.000 0.308 198 R C -0.956 175.311 176.300 -0.055 0.000 0.961 198 R CA -0.921 55.120 56.100 -0.098 0.000 0.862 198 R CB 1.251 31.487 30.300 -0.107 0.000 1.144 198 R HN 0.661 nan 8.270 nan 0.000 0.447 199 D N 0.666 121.043 120.400 -0.038 0.000 2.442 199 D HA 0.508 5.147 4.640 -0.001 0.000 0.254 199 D C -0.340 175.936 176.300 -0.041 0.000 1.069 199 D CA -0.505 53.472 54.000 -0.038 0.000 1.017 199 D CB 1.314 42.092 40.800 -0.037 0.000 1.172 199 D HN 0.547 nan 8.370 nan 0.000 0.561 200 A N 0.077 122.867 122.820 -0.050 0.000 2.282 200 A HA 0.573 4.893 4.320 -0.001 0.000 0.319 200 A C 0.052 177.578 177.584 -0.097 0.000 1.121 200 A CA -0.651 51.353 52.037 -0.055 0.000 0.836 200 A CB 0.087 19.063 19.000 -0.041 0.000 1.146 200 A HN 0.529 nan 8.150 nan 0.000 0.494 201 I N 1.800 122.313 120.570 -0.094 0.000 2.664 201 I HA 0.168 4.337 4.170 -0.001 0.000 0.284 201 I C -1.854 174.147 176.117 -0.193 0.000 1.154 201 I CA -1.047 60.160 61.300 -0.154 0.000 1.402 201 I CB -0.341 37.626 38.000 -0.055 0.000 1.395 201 I HN 0.412 nan 8.210 nan 0.000 0.545 202 P HA 0.246 nan 4.420 nan 0.000 0.275 202 P C -0.367 176.933 177.300 0.000 0.000 1.266 202 P CA -0.637 62.300 63.100 -0.272 0.000 0.793 202 P CB 0.476 31.901 31.700 -0.459 0.000 1.074 203 A N 0.617 123.498 122.820 0.101 0.000 2.584 203 A HA 0.358 4.678 4.320 -0.001 0.000 0.239 203 A C 1.375 179.129 177.584 0.284 0.000 1.043 203 A CA 0.644 52.778 52.037 0.161 0.000 0.756 203 A CB -1.647 17.417 19.000 0.108 0.000 0.963 203 A HN 0.985 nan 8.150 nan 0.000 0.511 204 G N 0.937 109.846 108.800 0.181 0.000 2.305 204 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.287 204 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.287 204 G C -0.240 174.725 174.900 0.108 0.000 1.036 204 G CA 0.522 45.691 45.100 0.115 0.000 0.887 204 G HN 0.754 nan 8.290 nan 0.000 0.505 205 F N 0.482 120.433 119.950 0.002 0.000 2.303 205 F HA 0.457 4.984 4.527 -0.001 0.000 0.368 205 F C 1.049 176.849 175.800 -0.000 0.000 1.105 205 F CA -1.490 56.511 58.000 0.001 0.000 1.153 205 F CB 0.625 39.627 39.000 0.003 0.000 1.362 205 F HN 0.190 nan 8.300 nan 0.000 0.511 206 I N 3.235 123.840 120.570 0.058 0.000 3.045 206 I HA 0.014 4.184 4.170 -0.001 0.000 0.288 206 I C 0.255 176.416 176.117 0.073 0.000 1.238 206 I CA 0.618 61.944 61.300 0.044 0.000 1.396 206 I CB 0.893 38.890 38.000 -0.004 0.000 1.355 206 I HN 0.591 nan 8.210 nan 0.000 0.601 207 T N 5.863 120.448 114.554 0.052 0.000 2.841 207 T HA 0.706 5.056 4.350 -0.001 0.000 0.283 207 T C -0.361 174.348 174.700 0.014 0.000 1.000 207 T CA -0.885 61.245 62.100 0.049 0.000 0.977 207 T CB 1.983 70.884 68.868 0.055 0.000 0.979 207 T HN 0.736 nan 8.240 nan 0.000 0.446 208 R N 1.050 121.550 120.500 0.000 0.000 2.867 208 R HA 0.514 4.854 4.340 -0.001 0.000 0.268 208 R C -1.024 175.250 176.300 -0.043 0.000 1.014 208 R CA -0.976 55.105 56.100 -0.031 0.000 0.946 208 R CB 2.189 32.458 30.300 -0.051 0.000 1.208 208 R HN 0.722 nan 8.270 nan 0.000 0.477 209 Q N 2.494 122.252 119.800 -0.070 0.000 2.700 209 Q HA 0.288 4.627 4.340 -0.001 0.000 0.249 209 Q C -1.180 174.759 176.000 -0.100 0.000 1.033 209 Q CA -0.356 55.404 55.803 -0.072 0.000 0.804 209 Q CB 0.607 29.264 28.738 -0.135 0.000 1.164 209 Q HN 0.481 nan 8.270 nan 0.000 0.500 210 L N 2.315 123.433 121.223 -0.176 0.000 2.418 210 L HA 0.329 4.669 4.340 -0.001 0.000 0.274 210 L C 0.422 177.268 176.870 -0.040 0.000 1.135 210 L CA -0.001 54.610 54.840 -0.382 0.000 0.870 210 L CB 0.453 42.105 42.059 -0.678 0.000 1.154 210 L HN 0.413 nan 8.230 nan 0.000 0.462 211 T N 3.617 118.278 114.554 0.178 0.000 2.893 211 T HA 0.609 4.959 4.350 -0.001 0.000 0.293 211 T C -1.014 173.951 174.700 0.440 0.000 1.027 211 T CA -0.670 61.619 62.100 0.315 0.000 0.988 211 T CB 1.725 70.728 68.868 0.224 0.000 1.043 211 T HN 0.377 nan 8.240 nan 0.000 0.461 212 L N 3.508 124.932 121.223 0.335 0.000 2.334 212 L HA 0.895 5.235 4.340 -0.001 0.000 0.276 212 L C -0.477 176.533 176.870 0.235 0.000 1.014 212 L CA -0.215 54.785 54.840 0.267 0.000 0.815 212 L CB 1.373 43.559 42.059 0.212 0.000 1.268 212 L HN 0.941 nan 8.230 nan 0.000 0.428 213 K N 2.307 122.830 120.400 0.205 0.000 2.607 213 K HA 0.552 4.871 4.320 -0.001 0.000 0.287 213 K C 0.116 176.795 176.600 0.133 0.000 0.996 213 K CA -0.101 56.296 56.287 0.184 0.000 0.876 213 K CB 1.594 34.241 32.500 0.244 0.000 1.496 213 K HN 0.804 nan 8.250 nan 0.000 0.415 214 G N 0.856 109.720 108.800 0.107 0.000 2.176 214 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.253 214 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.253 214 G C -0.055 174.876 174.900 0.052 0.000 0.979 214 G CA 0.167 45.313 45.100 0.077 0.000 0.641 214 G HN 0.263 nan 8.290 nan 0.000 0.530 215 L N 0.126 121.381 121.223 0.053 0.000 2.529 215 L HA 0.094 4.434 4.340 -0.001 0.000 0.287 215 L C 1.928 178.819 176.870 0.035 0.000 1.241 215 L CA 1.208 56.071 54.840 0.038 0.000 0.857 215 L CB 0.400 42.486 42.059 0.045 0.000 1.113 215 L HN 0.241 nan 8.230 nan 0.000 0.504 216 K N 2.077 122.492 120.400 0.025 0.000 2.218 216 K HA -0.068 4.251 4.320 -0.001 0.000 0.205 216 K C 1.027 177.644 176.600 0.028 0.000 1.046 216 K CA 0.870 57.172 56.287 0.024 0.000 0.933 216 K CB -0.350 32.160 32.500 0.017 0.000 0.728 216 K HN 0.955 nan 8.250 nan 0.000 0.454 217 G N -1.733 107.086 108.800 0.031 0.000 2.697 217 G HA2 0.109 4.069 3.960 -0.001 0.000 0.240 217 G HA3 0.109 4.069 3.960 -0.001 0.000 0.240 217 G C 0.231 175.149 174.900 0.029 0.000 1.346 217 G CA -0.234 44.886 45.100 0.034 0.000 0.887 217 G HN 0.898 nan 8.290 nan 0.000 0.569 218 G N -2.612 106.211 108.800 0.038 0.000 2.368 218 G HA2 0.521 4.481 3.960 -0.001 0.000 0.302 218 G HA3 0.521 4.481 3.960 -0.001 0.000 0.302 218 G C -0.871 174.077 174.900 0.080 0.000 1.329 218 G CA 0.426 45.557 45.100 0.052 0.000 0.935 218 G HN 1.819 nan 8.290 nan 0.000 0.590 219 H N 0.846 119.910 119.070 -0.010 0.000 2.604 219 H HA 0.452 5.008 4.556 -0.001 0.000 0.306 219 H C 1.897 177.224 175.328 -0.001 0.000 1.075 219 H CA 0.512 56.559 56.048 -0.002 0.000 1.357 219 H CB 1.655 31.416 29.762 -0.002 0.000 1.426 219 H HN 0.745 nan 8.280 nan 0.000 0.470 220 S N 3.206 118.692 115.700 -0.356 0.000 2.392 220 S HA -0.181 4.288 4.470 -0.001 0.000 0.232 220 S C 2.064 176.557 174.600 -0.179 0.000 1.041 220 S CA 1.319 59.382 58.200 -0.227 0.000 1.026 220 S CB -0.648 62.436 63.200 -0.193 0.000 0.845 220 S HN 0.746 nan 8.310 nan 0.000 0.465 221 G N 0.439 109.004 108.800 -0.392 0.000 2.524 221 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.215 221 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.215 221 G C 1.642 176.713 174.900 0.285 0.000 1.239 221 G CA 1.111 46.239 45.100 0.047 0.000 0.798 221 G HN 0.652 nan 8.290 nan 0.000 0.557 222 C N 0.686 120.235 119.300 0.416 0.000 2.543 222 C HA 0.075 4.534 4.460 -0.001 0.000 0.281 222 C C 2.304 177.272 174.990 -0.037 0.000 1.276 222 C CA 0.590 59.743 59.018 0.225 0.000 1.700 222 C CB -0.613 27.230 27.740 0.171 0.000 2.093 222 C HN 0.443 nan 8.230 nan 0.000 0.488 223 D N 0.944 121.316 120.400 -0.046 0.000 2.392 223 D HA -0.043 4.596 4.640 -0.001 0.000 0.228 223 D C 1.561 177.676 176.300 -0.308 0.000 1.003 223 D CA 0.355 54.210 54.000 -0.242 0.000 0.917 223 D CB -0.454 40.308 40.800 -0.063 0.000 0.890 223 D HN 0.404 nan 8.370 nan 0.000 0.532 224 I N 1.464 121.912 120.570 -0.203 0.000 2.286 224 I HA -0.292 3.878 4.170 -0.001 0.000 0.248 224 I C 2.100 178.144 176.117 -0.122 0.000 1.115 224 I CA 1.570 62.807 61.300 -0.105 0.000 1.392 224 I CB -0.178 37.828 38.000 0.010 0.000 1.065 224 I HN 0.104 nan 8.210 nan 0.000 0.418 225 H N -1.503 117.561 119.070 -0.011 0.000 2.495 225 H HA 0.104 4.660 4.556 -0.001 0.000 0.287 225 H C 1.003 176.323 175.328 -0.013 0.000 1.033 225 H CA 0.668 56.697 56.048 -0.031 0.000 1.307 225 H CB -2.185 27.547 29.762 -0.049 0.000 1.401 225 H HN 0.225 nan 8.280 nan 0.000 0.555 226 T N -0.457 114.079 114.554 -0.031 0.000 2.791 226 T HA 0.169 4.519 4.350 -0.001 0.000 0.323 226 T C 1.646 176.361 174.700 0.025 0.000 1.082 226 T CA 0.323 62.454 62.100 0.051 0.000 1.084 226 T CB 0.674 69.524 68.868 -0.030 0.000 0.992 226 T HN 0.595 nan 8.240 nan 0.000 0.547 227 G N 0.421 109.237 108.800 0.026 0.000 3.327 227 G HA2 0.051 4.011 3.960 -0.001 0.000 0.240 227 G HA3 0.051 4.011 3.960 -0.001 0.000 0.240 227 G C 0.558 175.460 174.900 0.002 0.000 1.222 227 G CA -0.518 44.589 45.100 0.012 0.000 0.871 227 G HN 0.415 nan 8.290 nan 0.000 0.525 228 R N 0.564 121.062 120.500 -0.003 0.000 2.640 228 R HA 0.122 4.461 4.340 -0.001 0.000 0.270 228 R C 1.038 177.340 176.300 0.004 0.000 1.024 228 R CA 0.191 56.290 56.100 -0.002 0.000 1.085 228 R CB 0.164 30.459 30.300 -0.008 0.000 0.963 228 R HN 0.161 nan 8.270 nan 0.000 0.426 229 G N 0.881 109.686 108.800 0.008 0.000 2.636 229 G HA2 0.005 3.965 3.960 -0.001 0.000 0.246 229 G HA3 0.005 3.965 3.960 -0.001 0.000 0.246 229 G C -0.215 174.704 174.900 0.031 0.000 1.216 229 G CA -0.473 44.638 45.100 0.018 0.000 0.854 229 G HN 0.682 nan 8.290 nan 0.000 0.572 230 N N 0.024 118.751 118.700 0.045 0.000 2.524 230 N HA 0.456 5.196 4.740 -0.001 0.000 0.261 230 N C 1.068 176.631 175.510 0.087 0.000 0.998 230 N CA -0.070 53.015 53.050 0.058 0.000 0.915 230 N CB 1.397 39.914 38.487 0.049 0.000 1.187 230 N HN 0.425 nan 8.380 nan 0.000 0.507 231 A N 3.599 126.478 122.820 0.098 0.000 1.940 231 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 231 A C 1.898 179.589 177.584 0.180 0.000 1.176 231 A CA 1.339 53.455 52.037 0.131 0.000 0.631 231 A CB -0.427 18.650 19.000 0.128 0.000 0.814 231 A HN 0.775 nan 8.150 nan 0.000 0.446 232 N N 0.047 118.856 118.700 0.181 0.000 2.084 232 N HA -0.124 4.616 4.740 -0.001 0.000 0.190 232 N C 1.664 177.323 175.510 0.249 0.000 1.030 232 N CA 1.556 54.758 53.050 0.253 0.000 0.849 232 N CB -0.293 38.276 38.487 0.136 0.000 1.012 232 N HN 0.537 nan 8.380 nan 0.000 0.423 233 K N 0.817 121.307 120.400 0.148 0.000 2.076 233 K HA 0.072 4.392 4.320 -0.001 0.000 0.204 233 K C 2.221 178.918 176.600 0.162 0.000 1.051 233 K CA 0.360 56.717 56.287 0.117 0.000 0.949 233 K CB -0.266 32.276 32.500 0.071 0.000 0.726 233 K HN 0.150 nan 8.250 nan 0.000 0.443 234 L N 1.111 122.439 121.223 0.176 0.000 2.127 234 L HA -0.214 4.126 4.340 -0.001 0.000 0.211 234 L C 2.343 179.400 176.870 0.312 0.000 1.089 234 L CA 0.812 55.792 54.840 0.233 0.000 0.757 234 L CB -0.391 41.775 42.059 0.177 0.000 0.899 234 L HN 0.161 nan 8.230 nan 0.000 0.434 235 I N -0.236 120.494 120.570 0.267 0.000 2.235 235 I HA -0.093 4.077 4.170 -0.001 0.000 0.241 235 I C 2.731 178.985 176.117 0.227 0.000 1.085 235 I CA 1.456 62.903 61.300 0.245 0.000 1.378 235 I CB -1.890 36.184 38.000 0.123 0.000 1.076 235 I HN 0.203 nan 8.210 nan 0.000 0.415 236 G N 0.911 109.878 108.800 0.279 0.000 2.547 236 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.221 236 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.221 236 G C 1.915 176.853 174.900 0.063 0.000 1.140 236 G CA 1.055 46.253 45.100 0.164 0.000 0.760 236 G HN 0.304 nan 8.290 nan 0.000 0.583 237 R N -0.956 119.606 120.500 0.104 0.000 2.120 237 R HA -0.082 4.258 4.340 -0.001 0.000 0.234 237 R C 2.235 178.558 176.300 0.039 0.000 1.123 237 R CA 1.339 57.493 56.100 0.090 0.000 0.975 237 R CB -0.358 30.058 30.300 0.193 0.000 0.866 237 R HN 0.407 nan 8.270 nan 0.000 0.446 238 F N 0.972 120.784 119.950 -0.230 0.000 2.128 238 F HA -0.059 4.468 4.527 -0.001 0.000 0.295 238 F C 1.607 177.313 175.800 -0.156 0.000 1.100 238 F CA 1.278 59.026 58.000 -0.420 0.000 1.260 238 F CB -0.350 38.270 39.000 -0.633 0.000 1.009 238 F HN -0.067 nan 8.300 nan 0.000 0.476 239 L N -0.139 120.914 121.223 -0.282 0.000 2.362 239 L HA -0.064 4.276 4.340 -0.001 0.000 0.219 239 L C 2.609 179.333 176.870 -0.244 0.000 1.134 239 L CA 0.723 55.365 54.840 -0.330 0.000 0.807 239 L CB -1.188 40.776 42.059 -0.158 0.000 0.927 239 L HN 0.225 nan 8.230 nan 0.000 0.447 240 A N 0.652 123.360 122.820 -0.188 0.000 1.854 240 A HA -0.045 4.275 4.320 -0.001 0.000 0.214 240 A C 2.418 179.870 177.584 -0.220 0.000 1.192 240 A CA 1.619 53.559 52.037 -0.163 0.000 0.611 240 A CB -1.084 17.849 19.000 -0.110 0.000 0.832 240 A HN 0.384 nan 8.150 nan 0.000 0.442 241 G N -2.355 106.251 108.800 -0.322 0.000 2.430 241 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.216 241 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.216 241 G C 1.334 175.836 174.900 -0.662 0.000 1.146 241 G CA 1.055 45.830 45.100 -0.541 0.000 0.793 241 G HN 0.654 nan 8.290 nan 0.000 0.537 242 H N -0.922 118.018 119.070 -0.217 0.000 3.255 242 H HA 0.353 4.909 4.556 -0.001 0.000 0.256 242 H C 2.603 177.768 175.328 -0.272 0.000 1.049 242 H CA 0.305 56.208 56.048 -0.240 0.000 1.202 242 H CB 0.074 29.655 29.762 -0.302 0.000 1.497 242 H HN 0.315 nan 8.280 nan 0.000 0.503 243 A N 1.711 124.395 122.820 -0.226 0.000 1.884 243 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 243 A C 2.325 179.860 177.584 -0.081 0.000 1.197 243 A CA 2.241 54.174 52.037 -0.174 0.000 0.637 243 A CB -0.547 18.356 19.000 -0.162 0.000 0.827 243 A HN 0.353 nan 8.150 nan 0.000 0.450 244 Q N -0.783 118.977 119.800 -0.066 0.000 1.990 244 Q HA -0.189 4.150 4.340 -0.001 0.000 0.200 244 Q C 1.848 177.845 176.000 -0.005 0.000 0.980 244 Q CA 1.678 57.465 55.803 -0.027 0.000 0.832 244 Q CB -0.275 28.446 28.738 -0.028 0.000 0.897 244 Q HN 0.725 nan 8.270 nan 0.000 0.427 245 E N 0.504 120.704 120.200 0.001 0.000 2.331 245 E HA -0.165 4.185 4.350 -0.001 0.000 0.199 245 E C 1.787 178.405 176.600 0.030 0.000 1.008 245 E CA 0.467 56.887 56.400 0.033 0.000 0.843 245 E CB -0.022 29.725 29.700 0.079 0.000 0.761 245 E HN 0.304 nan 8.360 nan 0.000 0.507 246 L N 0.452 121.681 121.223 0.010 0.000 2.513 246 L HA 0.021 4.361 4.340 -0.001 0.000 0.222 246 L C 0.379 177.250 176.870 0.002 0.000 1.096 246 L CA 0.944 55.782 54.840 -0.005 0.000 0.857 246 L CB -0.218 41.823 42.059 -0.031 0.000 1.026 246 L HN 0.028 nan 8.230 nan 0.000 0.469 247 D N 0.067 120.483 120.400 0.026 0.000 2.946 247 D HA -0.198 4.441 4.640 -0.001 0.000 0.202 247 D C 0.591 176.975 176.300 0.140 0.000 1.068 247 D CA 1.098 55.146 54.000 0.081 0.000 1.011 247 D CB -0.967 39.898 40.800 0.109 0.000 1.105 247 D HN 0.327 nan 8.370 nan 0.000 0.425 248 L N -0.468 120.801 121.223 0.077 0.000 2.492 248 L HA 0.376 4.716 4.340 -0.001 0.000 0.280 248 L C 0.426 177.353 176.870 0.094 0.000 1.240 248 L CA 0.407 55.311 54.840 0.106 0.000 0.831 248 L CB 0.310 42.377 42.059 0.013 0.000 1.100 248 L HN -0.049 nan 8.230 nan 0.000 0.505 249 R N 1.827 122.395 120.500 0.113 0.000 2.673 249 R HA 0.605 4.945 4.340 -0.001 0.000 0.281 249 R C -1.454 174.855 176.300 0.014 0.000 0.991 249 R CA -1.082 55.049 56.100 0.050 0.000 0.896 249 R CB 2.054 32.374 30.300 0.034 0.000 1.201 249 R HN 0.627 nan 8.270 nan 0.000 0.457 250 L N 3.066 124.260 121.223 -0.049 0.000 2.276 250 L HA 0.200 4.540 4.340 -0.001 0.000 0.286 250 L C 0.618 177.489 176.870 0.001 0.000 1.061 250 L CA 0.226 54.966 54.840 -0.167 0.000 0.807 250 L CB 1.623 43.349 42.059 -0.555 0.000 1.177 250 L HN 0.609 nan 8.230 nan 0.000 0.429 251 V N 3.454 123.400 119.914 0.053 0.000 2.806 251 V HA 0.383 4.503 4.120 -0.001 0.000 0.239 251 V C 0.401 176.632 176.094 0.228 0.000 1.113 251 V CA 0.357 62.765 62.300 0.181 0.000 1.137 251 V CB 0.331 32.227 31.823 0.122 0.000 0.865 251 V HN 0.847 nan 8.190 nan 0.000 0.482 252 E N -0.223 120.058 120.200 0.135 0.000 2.275 252 E HA 0.394 4.744 4.350 -0.001 0.000 0.270 252 E C -2.079 174.562 176.600 0.069 0.000 0.882 252 E CA -0.716 55.773 56.400 0.148 0.000 0.758 252 E CB 2.253 32.058 29.700 0.175 0.000 1.195 252 E HN 0.440 nan 8.360 nan 0.000 0.419 253 F N 3.893 123.797 119.950 -0.078 0.000 2.493 253 F HA 0.584 5.111 4.527 -0.001 0.000 0.329 253 F C -0.600 175.072 175.800 -0.214 0.000 1.126 253 F CA -0.741 57.183 58.000 -0.126 0.000 0.937 253 F CB 1.097 40.100 39.000 0.005 0.000 1.146 253 F HN 0.462 nan 8.300 nan 0.000 0.442 254 R N 4.387 124.918 120.500 0.052 0.000 2.561 254 R HA 0.781 5.121 4.340 -0.001 0.000 0.266 254 R C -1.836 174.391 176.300 -0.122 0.000 1.091 254 R CA -0.598 55.452 56.100 -0.084 0.000 0.927 254 R CB 1.644 31.742 30.300 -0.336 0.000 1.240 254 R HN 0.832 nan 8.270 nan 0.000 0.449 255 G N 0.573 109.402 108.800 0.048 0.000 2.608 255 G HA2 0.630 4.589 3.960 -0.001 0.000 0.291 255 G HA3 0.630 4.589 3.960 -0.001 0.000 0.291 255 G C -0.148 174.799 174.900 0.079 0.000 1.425 255 G CA -0.384 44.766 45.100 0.084 0.000 0.787 255 G HN 1.291 nan 8.290 nan 0.000 0.484 256 G N -0.870 107.983 108.800 0.088 0.000 2.907 256 G HA2 0.221 4.181 3.960 -0.001 0.000 0.242 256 G HA3 0.221 4.181 3.960 -0.001 0.000 0.242 256 G C 0.975 175.909 174.900 0.057 0.000 1.448 256 G CA 0.963 46.105 45.100 0.070 0.000 0.911 256 G HN 2.181 nan 8.290 nan 0.000 0.553 257 S N -1.099 114.629 115.700 0.047 0.000 3.214 257 S HA 0.619 5.089 4.470 -0.001 0.000 0.182 257 S C 0.886 175.505 174.600 0.031 0.000 0.728 257 S CA 0.948 59.172 58.200 0.040 0.000 0.814 257 S CB -0.063 63.160 63.200 0.039 0.000 0.859 257 S HN 1.253 nan 8.310 nan 0.000 0.647 258 L N 1.128 122.367 121.223 0.026 0.000 2.301 258 L HA 0.629 4.969 4.340 -0.001 0.000 0.264 258 L C 1.431 178.309 176.870 0.013 0.000 1.016 258 L CA -1.215 53.636 54.840 0.020 0.000 0.821 258 L CB 1.274 43.345 42.059 0.019 0.000 1.346 258 L HN 0.218 nan 8.230 nan 0.000 0.429 259 R N 0.596 121.103 120.500 0.011 0.000 2.134 259 R HA -0.222 4.118 4.340 -0.001 0.000 0.248 259 R C 1.478 177.766 176.300 -0.019 0.000 1.143 259 R CA 2.385 58.489 56.100 0.006 0.000 0.957 259 R CB -0.486 29.825 30.300 0.017 0.000 0.867 259 R HN 0.670 nan 8.270 nan 0.000 0.441 260 N N -0.147 118.539 118.700 -0.024 0.000 2.443 260 N HA -0.068 4.671 4.740 -0.001 0.000 0.184 260 N C -0.092 175.354 175.510 -0.107 0.000 1.037 260 N CA 0.693 53.696 53.050 -0.077 0.000 0.896 260 N CB 0.172 38.654 38.487 -0.008 0.000 0.959 260 N HN 0.202 nan 8.380 nan 0.000 0.442 261 A N 0.592 123.390 122.820 -0.037 0.000 2.303 261 A HA 0.388 4.707 4.320 -0.001 0.000 0.320 261 A C -0.209 177.372 177.584 -0.007 0.000 1.192 261 A CA -0.636 51.395 52.037 -0.010 0.000 0.821 261 A CB 0.699 19.712 19.000 0.023 0.000 1.188 261 A HN 0.024 nan 8.150 nan 0.000 0.492 262 I N 4.516 125.082 120.570 -0.007 0.000 2.664 262 I HA 0.072 4.242 4.170 -0.001 0.000 0.284 262 I C -1.843 174.291 176.117 0.028 0.000 1.154 262 I CA -1.036 60.268 61.300 0.007 0.000 1.402 262 I CB 0.346 38.348 38.000 0.004 0.000 1.395 262 I HN 0.409 nan 8.210 nan 0.000 0.545 263 P HA 0.079 nan 4.420 nan 0.000 0.269 263 P C 0.450 177.790 177.300 0.066 0.000 1.263 263 P CA -0.222 62.912 63.100 0.057 0.000 0.813 263 P CB 0.162 31.903 31.700 0.068 0.000 0.868 264 R N 2.802 123.341 120.500 0.065 0.000 2.240 264 R HA 0.133 4.472 4.340 -0.001 0.000 0.203 264 R C 0.472 176.825 176.300 0.088 0.000 1.011 264 R CA 0.408 56.549 56.100 0.068 0.000 1.007 264 R CB 0.502 30.837 30.300 0.058 0.000 0.911 264 R HN 0.420 nan 8.270 nan 0.000 0.468 265 E N 0.026 120.288 120.200 0.103 0.000 2.383 265 E HA 0.613 4.962 4.350 -0.001 0.000 0.275 265 E C -1.996 174.693 176.600 0.148 0.000 0.918 265 E CA -0.974 55.505 56.400 0.131 0.000 0.764 265 E CB 2.331 32.108 29.700 0.128 0.000 1.252 265 E HN 0.252 nan 8.360 nan 0.000 0.449 266 A N 2.171 125.099 122.820 0.180 0.000 2.599 266 A HA 0.677 4.997 4.320 -0.001 0.000 0.294 266 A C -1.877 175.823 177.584 0.193 0.000 1.055 266 A CA -0.631 51.498 52.037 0.153 0.000 0.683 266 A CB 0.766 19.864 19.000 0.162 0.000 1.278 266 A HN 0.631 nan 8.150 nan 0.000 0.412 267 F N -0.783 119.161 119.950 -0.011 0.000 2.668 267 F HA 0.828 5.355 4.527 -0.001 0.000 0.309 267 F C -1.415 174.240 175.800 -0.242 0.000 1.117 267 F CA -1.294 56.651 58.000 -0.091 0.000 0.951 267 F CB 1.718 40.696 39.000 -0.037 0.000 1.323 267 F HN 0.909 nan 8.300 nan 0.000 0.451 268 V N 2.504 122.430 119.914 0.020 0.000 2.509 268 V HA 0.473 4.593 4.120 -0.001 0.000 0.289 268 V C -0.522 175.596 176.094 0.041 0.000 1.026 268 V CA 0.165 62.362 62.300 -0.173 0.000 0.872 268 V CB 1.217 32.712 31.823 -0.546 0.000 1.017 268 V HN 1.298 nan 8.190 nan 0.000 0.436 269 T N 4.590 119.244 114.554 0.167 0.000 2.901 269 T HA 0.654 5.003 4.350 -0.001 0.000 0.301 269 T C -0.396 174.323 174.700 0.031 0.000 1.012 269 T CA -0.145 62.013 62.100 0.097 0.000 1.135 269 T CB 1.150 70.096 68.868 0.130 0.000 0.936 269 T HN 0.759 nan 8.240 nan 0.000 0.539 270 V N 1.970 121.892 119.914 0.014 0.000 3.049 270 V HA 0.769 4.889 4.120 -0.001 0.000 0.309 270 V C -0.053 176.073 176.094 0.054 0.000 1.148 270 V CA -1.273 61.035 62.300 0.012 0.000 0.990 270 V CB 2.103 33.913 31.823 -0.021 0.000 1.039 270 V HN 1.273 nan 8.190 nan 0.000 0.430 271 A N 4.581 127.463 122.820 0.104 0.000 2.256 271 A HA 0.876 5.196 4.320 -0.001 0.000 0.317 271 A C -0.650 177.151 177.584 0.362 0.000 1.318 271 A CA -0.354 51.810 52.037 0.211 0.000 0.894 271 A CB 0.374 19.491 19.000 0.195 0.000 1.165 271 A HN 1.108 nan 8.150 nan 0.000 0.525 272 L N 0.649 121.995 121.223 0.205 0.000 2.323 272 L HA 0.878 5.218 4.340 -0.001 0.000 0.265 272 L C -2.971 173.568 176.870 -0.551 0.000 1.012 272 L CA -2.821 51.991 54.840 -0.048 0.000 0.820 272 L CB 2.050 44.068 42.059 -0.068 0.000 1.334 272 L HN 0.205 nan 8.230 nan 0.000 0.427 273 P HA 0.108 nan 4.420 nan 0.000 0.267 273 P C 0.337 177.394 177.300 -0.404 0.000 1.205 273 P CA 0.038 62.542 63.100 -0.994 0.000 0.765 273 P CB 1.335 32.563 31.700 -0.788 0.000 0.828 274 A N 3.769 126.435 122.820 -0.256 0.000 2.042 274 A HA -0.266 4.053 4.320 -0.001 0.000 0.222 274 A C 2.084 179.600 177.584 -0.114 0.000 1.167 274 A CA 1.737 53.696 52.037 -0.129 0.000 0.649 274 A CB -1.119 17.836 19.000 -0.074 0.000 0.809 274 A HN 0.644 nan 8.150 nan 0.000 0.457 275 E N -0.101 120.015 120.200 -0.141 0.000 2.110 275 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 275 E C 0.682 177.224 176.600 -0.096 0.000 0.988 275 E CA 1.298 57.633 56.400 -0.107 0.000 0.804 275 E CB -0.086 29.544 29.700 -0.116 0.000 0.745 275 E HN 0.601 nan 8.360 nan 0.000 0.458 276 N N 0.410 119.034 118.700 -0.126 0.000 2.270 276 N HA -0.035 4.704 4.740 -0.001 0.000 0.198 276 N C 1.122 176.594 175.510 -0.063 0.000 1.117 276 N CA 0.079 53.076 53.050 -0.088 0.000 0.845 276 N CB 0.331 38.757 38.487 -0.102 0.000 0.980 276 N HN 0.288 nan 8.380 nan 0.000 0.486 277 Q N 0.801 120.560 119.800 -0.069 0.000 2.135 277 Q HA -0.135 4.205 4.340 -0.001 0.000 0.204 277 Q C 0.637 176.628 176.000 -0.014 0.000 0.981 277 Q CA 1.452 57.229 55.803 -0.044 0.000 0.856 277 Q CB 0.232 28.943 28.738 -0.046 0.000 0.902 277 Q HN 0.303 nan 8.270 nan 0.000 0.425 278 D N -0.136 120.255 120.400 -0.015 0.000 2.120 278 D HA -0.108 4.531 4.640 -0.001 0.000 0.202 278 D C 1.760 178.066 176.300 0.011 0.000 0.972 278 D CA 0.907 54.906 54.000 -0.002 0.000 0.837 278 D CB 0.057 40.851 40.800 -0.010 0.000 0.989 278 D HN 0.261 nan 8.370 nan 0.000 0.469 279 K N 0.888 121.291 120.400 0.003 0.000 2.032 279 K HA -0.138 4.182 4.320 -0.001 0.000 0.209 279 K C 2.401 179.032 176.600 0.051 0.000 1.048 279 K CA 0.627 56.922 56.287 0.015 0.000 0.927 279 K CB -0.371 32.129 32.500 0.001 0.000 0.712 279 K HN 0.077 nan 8.250 nan 0.000 0.441 280 L N 0.769 122.025 121.223 0.054 0.000 2.042 280 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 280 L C 2.299 179.270 176.870 0.167 0.000 1.076 280 L CA 1.804 56.714 54.840 0.116 0.000 0.749 280 L CB -0.330 41.768 42.059 0.065 0.000 0.893 280 L HN 0.122 nan 8.230 nan 0.000 0.432 281 A N -0.890 121.995 122.820 0.109 0.000 1.969 281 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 281 A C 2.201 179.870 177.584 0.142 0.000 1.169 281 A CA 1.398 53.517 52.037 0.137 0.000 0.635 281 A CB -0.520 18.526 19.000 0.078 0.000 0.810 281 A HN 0.547 nan 8.150 nan 0.000 0.445 282 E N 0.071 120.328 120.200 0.095 0.000 2.031 282 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 282 E C 2.031 178.698 176.600 0.113 0.000 0.994 282 E CA 1.039 57.477 56.400 0.063 0.000 0.800 282 E CB -0.352 29.361 29.700 0.021 0.000 0.752 282 E HN 0.653 nan 8.360 nan 0.000 0.447 283 L N -0.215 121.104 121.223 0.161 0.000 2.141 283 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 283 L C 2.389 179.379 176.870 0.199 0.000 1.094 283 L CA 0.690 55.662 54.840 0.219 0.000 0.763 283 L CB -0.256 41.931 42.059 0.213 0.000 0.908 283 L HN 0.084 nan 8.230 nan 0.000 0.437 284 F N 0.376 120.323 119.950 -0.004 0.000 2.293 284 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 284 F C 2.292 178.024 175.800 -0.113 0.000 1.089 284 F CA 1.006 58.860 58.000 -0.243 0.000 1.377 284 F CB -0.152 38.756 39.000 -0.154 0.000 1.051 284 F HN 0.066 nan 8.300 nan 0.000 0.511 285 N N -0.369 118.292 118.700 -0.064 0.000 2.135 285 N HA -0.203 4.536 4.740 -0.001 0.000 0.186 285 N C 1.829 177.316 175.510 -0.039 0.000 1.027 285 N CA 1.249 54.232 53.050 -0.111 0.000 0.849 285 N CB -0.977 37.508 38.487 -0.005 0.000 1.002 285 N HN 0.271 nan 8.380 nan 0.000 0.425 286 Y N 1.539 121.776 120.300 -0.104 0.000 2.040 286 Y HA -0.307 4.242 4.550 -0.001 0.000 0.275 286 Y C 2.429 178.263 175.900 -0.109 0.000 1.171 286 Y CA 1.492 59.546 58.100 -0.077 0.000 1.123 286 Y CB -1.277 37.171 38.460 -0.020 0.000 0.963 286 Y HN 0.141 nan 8.280 nan 0.000 0.493 287 Y N 0.066 120.230 120.300 -0.228 0.000 2.114 287 Y HA -0.330 4.219 4.550 -0.000 0.000 0.282 287 Y C 2.927 178.583 175.900 -0.407 0.000 1.165 287 Y CA 2.884 60.759 58.100 -0.375 0.000 1.148 287 Y CB -0.752 37.405 38.460 -0.506 0.000 0.972 287 Y HN 0.267 nan 8.280 nan 0.000 0.504 288 T N -0.639 113.623 114.554 -0.486 0.000 2.746 288 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 288 T C 1.764 176.240 174.700 -0.373 0.000 1.039 288 T CA 1.766 63.557 62.100 -0.515 0.000 1.142 288 T CB -0.247 68.277 68.868 -0.573 0.000 0.866 288 T HN 0.381 nan 8.240 nan 0.000 0.444 289 E N 0.898 120.938 120.200 -0.268 0.000 2.051 289 E HA -0.072 4.278 4.350 -0.001 0.000 0.192 289 E C 2.254 178.721 176.600 -0.222 0.000 0.991 289 E CA 0.838 57.128 56.400 -0.182 0.000 0.799 289 E CB -0.914 28.744 29.700 -0.070 0.000 0.748 289 E HN 0.458 nan 8.360 nan 0.000 0.449 290 L N 0.946 121.988 121.223 -0.303 0.000 2.051 290 L HA -0.232 4.108 4.340 -0.001 0.000 0.214 290 L C 2.384 179.061 176.870 -0.322 0.000 1.076 290 L CA 1.390 56.030 54.840 -0.334 0.000 0.758 290 L CB -0.364 41.424 42.059 -0.451 0.000 0.890 290 L HN 0.120 nan 8.230 nan 0.000 0.433 291 L N -0.976 119.997 121.223 -0.417 0.000 2.042 291 L HA -0.275 4.064 4.340 -0.001 0.000 0.210 291 L C 2.597 179.344 176.870 -0.205 0.000 1.076 291 L CA 1.728 56.368 54.840 -0.334 0.000 0.749 291 L CB -0.598 41.233 42.059 -0.381 0.000 0.893 291 L HN 0.307 nan 8.230 nan 0.000 0.432 292 K N -0.721 119.567 120.400 -0.186 0.000 2.097 292 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 292 K C 2.022 178.560 176.600 -0.103 0.000 1.049 292 K CA 1.686 57.897 56.287 -0.126 0.000 0.933 292 K CB -0.346 32.084 32.500 -0.116 0.000 0.717 292 K HN 0.263 nan 8.250 nan 0.000 0.442 293 T N 1.519 116.005 114.554 -0.113 0.000 2.665 293 T HA -0.193 4.157 4.350 -0.001 0.000 0.268 293 T C 1.690 176.342 174.700 -0.081 0.000 1.035 293 T CA 1.606 63.653 62.100 -0.089 0.000 1.151 293 T CB -0.137 68.672 68.868 -0.097 0.000 0.862 293 T HN 0.349 nan 8.240 nan 0.000 0.438 294 E N 0.337 120.478 120.200 -0.099 0.000 2.021 294 E HA 0.084 4.434 4.350 -0.001 0.000 0.189 294 E C 2.106 178.668 176.600 -0.064 0.000 0.980 294 E CA 0.769 57.121 56.400 -0.080 0.000 0.803 294 E CB -0.069 29.575 29.700 -0.094 0.000 0.766 294 E HN 0.389 nan 8.360 nan 0.000 0.449 295 L N 0.155 121.334 121.223 -0.074 0.000 2.567 295 L HA 0.195 4.535 4.340 -0.001 0.000 0.225 295 L C 2.296 179.138 176.870 -0.047 0.000 1.119 295 L CA 0.146 54.954 54.840 -0.054 0.000 0.871 295 L CB -0.106 41.921 42.059 -0.053 0.000 1.036 295 L HN 0.184 nan 8.230 nan 0.000 0.459 296 G N 0.535 109.300 108.800 -0.057 0.000 2.507 296 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.221 296 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.221 296 G C 1.730 176.611 174.900 -0.033 0.000 1.119 296 G CA 0.599 45.670 45.100 -0.048 0.000 0.751 296 G HN 0.151 nan 8.290 nan 0.000 0.574 297 K N -0.264 120.119 120.400 -0.028 0.000 1.978 297 K HA -0.060 4.259 4.320 -0.001 0.000 0.214 297 K C 2.379 178.972 176.600 -0.011 0.000 1.049 297 K CA 1.325 57.601 56.287 -0.018 0.000 0.939 297 K CB -0.401 32.089 32.500 -0.016 0.000 0.721 297 K HN 0.379 nan 8.250 nan 0.000 0.441 298 I N 1.219 121.784 120.570 -0.009 0.000 2.703 298 I HA -0.073 4.096 4.170 -0.001 0.000 0.259 298 I C 0.214 176.330 176.117 -0.003 0.000 1.151 298 I CA 0.807 62.106 61.300 -0.001 0.000 1.470 298 I CB 0.264 38.267 38.000 0.005 0.000 1.112 298 I HN 0.006 nan 8.210 nan 0.000 0.437 299 E N 1.078 121.272 120.200 -0.011 0.000 1.964 299 E HA 0.095 4.445 4.350 -0.001 0.000 0.264 299 E C 1.447 178.037 176.600 -0.016 0.000 1.120 299 E CA 0.436 56.829 56.400 -0.011 0.000 1.061 299 E CB 0.178 29.867 29.700 -0.018 0.000 1.190 299 E HN 0.463 nan 8.360 nan 0.000 0.459 300 T N -1.129 113.419 114.554 -0.009 0.000 2.665 300 T HA -0.187 4.163 4.350 -0.001 0.000 0.268 300 T C 0.813 175.505 174.700 -0.014 0.000 1.035 300 T CA 0.965 63.059 62.100 -0.011 0.000 1.151 300 T CB 0.171 69.037 68.868 -0.003 0.000 0.862 300 T HN 0.161 nan 8.240 nan 0.000 0.438 301 D N 0.442 120.838 120.400 -0.007 0.000 2.217 301 D HA 0.530 5.170 4.640 -0.001 0.000 0.243 301 D C -1.064 175.232 176.300 -0.007 0.000 1.054 301 D CA -0.846 53.151 54.000 -0.006 0.000 0.838 301 D CB 1.035 41.840 40.800 0.008 0.000 1.162 301 D HN 0.462 nan 8.370 nan 0.000 0.472 302 I N 3.656 124.212 120.570 -0.023 0.000 2.611 302 I HA 0.169 4.339 4.170 -0.001 0.000 0.287 302 I C -0.473 175.614 176.117 -0.051 0.000 1.184 302 I CA -0.951 60.331 61.300 -0.029 0.000 1.054 302 I CB 2.054 40.018 38.000 -0.061 0.000 1.257 302 I HN 0.183 nan 8.210 nan 0.000 0.435 303 V N 2.240 122.141 119.914 -0.020 0.000 2.864 303 V HA 0.962 5.081 4.120 -0.001 0.000 0.314 303 V C -0.210 175.839 176.094 -0.074 0.000 1.073 303 V CA -0.331 61.914 62.300 -0.090 0.000 0.956 303 V CB 1.853 33.642 31.823 -0.057 0.000 1.023 303 V HN 0.792 nan 8.190 nan 0.000 0.435 304 T N 0.365 114.768 114.554 -0.253 0.000 2.906 304 T HA 0.855 5.205 4.350 -0.001 0.000 0.295 304 T C -1.265 173.273 174.700 -0.271 0.000 1.075 304 T CA -0.520 61.543 62.100 -0.061 0.000 1.005 304 T CB 1.873 70.665 68.868 -0.127 0.000 1.136 304 T HN 0.728 nan 8.240 nan 0.000 0.498 305 F N 1.525 121.649 119.950 0.290 0.000 2.573 305 F HA 0.479 5.006 4.527 -0.000 0.000 0.316 305 F C 0.402 176.271 175.800 0.115 0.000 1.148 305 F CA -1.114 56.989 58.000 0.172 0.000 0.940 305 F CB 2.064 41.101 39.000 0.062 0.000 1.214 305 F HN 0.598 nan 8.300 nan 0.000 0.448 306 N N 2.338 121.170 118.700 0.220 0.000 2.451 306 N HA 0.048 4.788 4.740 -0.001 0.000 0.264 306 N C -0.333 175.190 175.510 0.022 0.000 1.167 306 N CA -0.047 53.000 53.050 -0.006 0.000 0.898 306 N CB -0.048 38.451 38.487 0.020 0.000 1.176 306 N HN 0.685 nan 8.380 nan 0.000 0.507 307 E N 1.353 121.597 120.200 0.073 0.000 2.608 307 E HA -0.119 4.231 4.350 -0.001 0.000 0.259 307 E C 0.271 176.861 176.600 -0.017 0.000 0.951 307 E CA 0.422 56.841 56.400 0.032 0.000 0.945 307 E CB 0.430 30.129 29.700 -0.002 0.000 0.916 307 E HN 0.391 nan 8.360 nan 0.000 0.477 308 E N 2.507 122.700 120.200 -0.011 0.000 2.360 308 E HA 0.196 4.546 4.350 -0.001 0.000 0.269 308 E C -0.209 176.375 176.600 -0.026 0.000 1.022 308 E CA -0.497 55.893 56.400 -0.017 0.000 0.887 308 E CB 1.057 30.752 29.700 -0.008 0.000 0.990 308 E HN 0.240 nan 8.360 nan 0.000 0.426 309 V N -2.101 117.799 119.914 -0.023 0.000 3.114 309 V HA 0.778 4.897 4.120 -0.001 0.000 0.308 309 V C -0.050 176.039 176.094 -0.009 0.000 1.168 309 V CA -0.978 61.307 62.300 -0.026 0.000 1.015 309 V CB 1.312 33.110 31.823 -0.043 0.000 1.050 309 V HN 0.906 nan 8.190 nan 0.000 0.433 310 A N 1.144 123.958 122.820 -0.010 0.000 2.573 310 A HA 0.380 4.700 4.320 -0.001 0.000 0.250 310 A C 0.756 178.347 177.584 0.012 0.000 1.049 310 A CA 0.812 52.849 52.037 -0.000 0.000 0.767 310 A CB -0.654 18.343 19.000 -0.004 0.000 0.965 310 A HN 1.204 nan 8.150 nan 0.000 0.514 311 T N 3.417 117.982 114.554 0.018 0.000 4.104 311 T HA 0.166 4.515 4.350 -0.001 0.000 0.285 311 T C 0.386 175.101 174.700 0.024 0.000 1.346 311 T CA 0.253 62.369 62.100 0.027 0.000 1.158 311 T CB -0.345 68.544 68.868 0.036 0.000 1.290 311 T HN 0.768 nan 8.240 nan 0.000 0.975 312 D N 1.124 121.538 120.400 0.023 0.000 2.490 312 D HA 0.182 4.822 4.640 -0.001 0.000 0.244 312 D C 1.190 177.502 176.300 0.019 0.000 0.979 312 D CA -0.047 53.965 54.000 0.019 0.000 0.924 312 D CB -0.024 40.786 40.800 0.017 0.000 1.075 312 D HN 0.509 nan 8.370 nan 0.000 0.488 313 A N 1.172 124.009 122.820 0.028 0.000 2.252 313 A HA 0.359 4.678 4.320 -0.001 0.000 0.305 313 A C 0.584 178.183 177.584 0.026 0.000 1.097 313 A CA -0.574 51.480 52.037 0.027 0.000 0.849 313 A CB 0.827 19.852 19.000 0.041 0.000 1.142 313 A HN -0.075 nan 8.150 nan 0.000 0.499 314 Q N -0.536 119.274 119.800 0.016 0.000 2.526 314 Q HA 0.399 4.739 4.340 -0.001 0.000 0.207 314 Q C -0.377 175.648 176.000 0.043 0.000 1.078 314 Q CA -0.358 55.451 55.803 0.009 0.000 1.041 314 Q CB 0.581 29.310 28.738 -0.015 0.000 1.228 314 Q HN 0.422 nan 8.270 nan 0.000 0.603 315 V N 0.239 120.176 119.914 0.039 0.000 2.881 315 V HA 0.295 4.415 4.120 -0.001 0.000 0.316 315 V C -0.487 175.704 176.094 0.161 0.000 1.070 315 V CA -0.666 61.699 62.300 0.109 0.000 0.976 315 V CB 1.270 33.111 31.823 0.029 0.000 1.038 315 V HN 0.519 nan 8.190 nan 0.000 0.446 316 F N 2.722 122.654 119.950 -0.031 0.000 2.595 316 F HA 0.323 4.849 4.527 -0.000 0.000 0.359 316 F C 1.078 176.860 175.800 -0.031 0.000 1.147 316 F CA 0.444 58.424 58.000 -0.033 0.000 1.341 316 F CB 0.226 39.212 39.000 -0.024 0.000 1.104 316 F HN 0.606 nan 8.300 nan 0.000 0.603 317 A N 4.864 127.720 122.820 0.059 0.000 2.555 317 A HA 0.043 4.362 4.320 -0.001 0.000 0.233 317 A C 1.598 179.249 177.584 0.111 0.000 1.060 317 A CA -0.056 52.011 52.037 0.051 0.000 0.759 317 A CB -0.284 18.721 19.000 0.008 0.000 0.995 317 A HN 0.998 nan 8.150 nan 0.000 0.506 318 I N 2.033 122.645 120.570 0.069 0.000 2.091 318 I HA -0.297 3.873 4.170 -0.001 0.000 0.239 318 I C 2.388 178.553 176.117 0.080 0.000 1.061 318 I CA 2.373 63.712 61.300 0.066 0.000 1.317 318 I CB -0.246 37.775 38.000 0.036 0.000 1.031 318 I HN 0.711 nan 8.210 nan 0.000 0.401 319 A N 0.233 123.094 122.820 0.068 0.000 1.940 319 A HA -0.281 4.039 4.320 -0.001 0.000 0.219 319 A C 1.923 179.573 177.584 0.110 0.000 1.176 319 A CA 2.245 54.326 52.037 0.073 0.000 0.631 319 A CB -0.901 18.133 19.000 0.056 0.000 0.814 319 A HN 0.586 nan 8.150 nan 0.000 0.446 320 D N -0.845 119.633 120.400 0.130 0.000 2.123 320 D HA -0.171 4.469 4.640 -0.001 0.000 0.196 320 D C 2.083 178.558 176.300 0.291 0.000 0.992 320 D CA 1.496 55.608 54.000 0.188 0.000 0.833 320 D CB -0.373 40.496 40.800 0.116 0.000 0.954 320 D HN 0.652 nan 8.370 nan 0.000 0.455 321 Q N 0.048 120.023 119.800 0.293 0.000 2.050 321 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 321 Q C 2.219 178.281 176.000 0.103 0.000 0.980 321 Q CA 1.157 57.073 55.803 0.188 0.000 0.840 321 Q CB 0.147 28.936 28.738 0.085 0.000 0.898 321 Q HN 0.395 nan 8.270 nan 0.000 0.424 322 Q N 0.322 120.170 119.800 0.079 0.000 1.948 322 Q HA -0.242 4.098 4.340 -0.001 0.000 0.205 322 Q C 2.160 178.183 176.000 0.038 0.000 0.992 322 Q CA 1.900 57.726 55.803 0.037 0.000 0.849 322 Q CB -0.566 28.195 28.738 0.038 0.000 0.918 322 Q HN 0.450 nan 8.270 nan 0.000 0.421 323 R N 0.096 120.651 120.500 0.091 0.000 2.117 323 R HA -0.179 4.161 4.340 -0.001 0.000 0.243 323 R C 2.187 178.539 176.300 0.087 0.000 1.143 323 R CA 1.723 57.902 56.100 0.132 0.000 0.968 323 R CB -0.866 29.568 30.300 0.224 0.000 0.863 323 R HN 0.212 nan 8.270 nan 0.000 0.444 324 F N 2.179 121.999 119.950 -0.217 0.000 2.039 324 F HA -0.097 4.430 4.527 -0.001 0.000 0.294 324 F C 2.217 177.818 175.800 -0.332 0.000 1.130 324 F CA 1.027 58.658 58.000 -0.616 0.000 1.189 324 F CB -0.298 38.307 39.000 -0.657 0.000 0.983 324 F HN -0.153 nan 8.300 nan 0.000 0.471 325 I N 1.146 121.419 120.570 -0.495 0.000 2.151 325 I HA -0.318 3.851 4.170 -0.001 0.000 0.243 325 I C 2.745 178.668 176.117 -0.323 0.000 1.080 325 I CA 1.605 62.608 61.300 -0.495 0.000 1.339 325 I CB -2.030 35.834 38.000 -0.226 0.000 1.039 325 I HN 0.329 nan 8.210 nan 0.000 0.409 326 A N 0.832 123.544 122.820 -0.180 0.000 1.873 326 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 326 A C 2.598 180.125 177.584 -0.094 0.000 1.193 326 A CA 2.546 54.522 52.037 -0.101 0.000 0.629 326 A CB -0.990 17.988 19.000 -0.038 0.000 0.826 326 A HN 0.443 nan 8.150 nan 0.000 0.447 327 A N -0.515 122.261 122.820 -0.073 0.000 1.865 327 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 327 A C 2.161 179.693 177.584 -0.087 0.000 1.191 327 A CA 1.957 54.001 52.037 0.011 0.000 0.623 327 A CB -0.814 18.338 19.000 0.253 0.000 0.826 327 A HN 0.887 nan 8.150 nan 0.000 0.444 328 L N 0.858 121.904 121.223 -0.295 0.000 2.043 328 L HA -0.210 4.130 4.340 -0.001 0.000 0.212 328 L C 1.993 178.757 176.870 -0.176 0.000 1.075 328 L CA 2.574 57.217 54.840 -0.329 0.000 0.752 328 L CB -0.985 40.660 42.059 -0.690 0.000 0.891 328 L HN 0.578 nan 8.230 nan 0.000 0.432 329 N N -0.719 117.885 118.700 -0.159 0.000 2.216 329 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 329 N C 1.662 177.145 175.510 -0.046 0.000 1.017 329 N CA 1.101 54.101 53.050 -0.084 0.000 0.861 329 N CB 0.129 38.566 38.487 -0.084 0.000 0.986 329 N HN 0.504 nan 8.380 nan 0.000 0.428 330 A N 0.590 123.386 122.820 -0.041 0.000 2.067 330 A HA 0.001 4.321 4.320 -0.001 0.000 0.217 330 A C 1.352 178.933 177.584 -0.004 0.000 1.156 330 A CA 0.074 52.101 52.037 -0.015 0.000 0.683 330 A CB -0.657 18.339 19.000 -0.006 0.000 0.808 330 A HN 0.495 nan 8.150 nan 0.000 0.455 331 C N 2.430 121.726 119.300 -0.007 0.000 2.653 331 C HA 0.424 4.883 4.460 -0.001 0.000 0.421 331 C C -2.211 172.786 174.990 0.011 0.000 1.334 331 C CA -2.029 56.995 59.018 0.009 0.000 1.885 331 C CB -0.050 27.697 27.740 0.011 0.000 2.645 331 C HN 0.417 nan 8.230 nan 0.000 0.601 332 P HA 0.206 nan 4.420 nan 0.000 0.282 332 P C -0.594 176.720 177.300 0.024 0.000 1.262 332 P CA 0.403 63.515 63.100 0.020 0.000 0.773 332 P CB 0.718 32.431 31.700 0.022 0.000 0.879 333 N N 1.487 120.200 118.700 0.021 0.000 2.168 333 N HA 0.162 4.902 4.740 -0.001 0.000 0.216 333 N C 0.691 176.215 175.510 0.023 0.000 1.259 333 N CA -0.080 52.985 53.050 0.024 0.000 0.902 333 N CB 0.558 39.059 38.487 0.023 0.000 1.079 333 N HN 0.455 nan 8.380 nan 0.000 0.507 334 G N -0.440 108.372 108.800 0.020 0.000 2.642 334 G HA2 0.428 4.388 3.960 -0.001 0.000 0.291 334 G HA3 0.428 4.388 3.960 -0.001 0.000 0.291 334 G C -0.771 174.141 174.900 0.020 0.000 1.345 334 G CA -0.511 44.600 45.100 0.018 0.000 1.043 334 G HN 0.003 nan 8.290 nan 0.000 0.528 335 V N 1.463 121.386 119.914 0.014 0.000 2.644 335 V HA -0.067 4.052 4.120 -0.001 0.000 0.305 335 V C 1.258 177.357 176.094 0.008 0.000 1.053 335 V CA 0.240 62.545 62.300 0.008 0.000 1.186 335 V CB 0.882 32.694 31.823 -0.018 0.000 0.895 335 V HN 0.567 nan 8.190 nan 0.000 0.490 336 M N 3.455 123.064 119.600 0.014 0.000 2.394 336 M HA 0.209 4.688 4.480 -0.001 0.000 0.266 336 M C 0.879 177.180 176.300 0.002 0.000 1.098 336 M CA 1.026 56.332 55.300 0.010 0.000 1.149 336 M CB -0.544 32.065 32.600 0.015 0.000 1.369 336 M HN 0.742 nan 8.290 nan 0.000 0.450 337 R N -0.912 119.586 120.500 -0.003 0.000 2.664 337 R HA 0.393 4.732 4.340 -0.001 0.000 0.260 337 R C -1.651 174.633 176.300 -0.025 0.000 1.062 337 R CA -0.454 55.639 56.100 -0.011 0.000 0.902 337 R CB 1.590 31.887 30.300 -0.005 0.000 1.258 337 R HN -0.033 nan 8.270 nan 0.000 0.465 338 M N 1.394 120.976 119.600 -0.030 0.000 2.359 338 M HA 0.408 4.887 4.480 -0.001 0.000 0.322 338 M C -0.181 176.098 176.300 -0.035 0.000 1.166 338 M CA 0.169 55.444 55.300 -0.042 0.000 1.067 338 M CB 1.805 34.382 32.600 -0.038 0.000 1.523 338 M HN 0.495 nan 8.290 nan 0.000 0.467 339 S N 0.454 116.129 115.700 -0.042 0.000 2.586 339 S HA 0.326 4.795 4.470 -0.001 0.000 0.274 339 S C -0.088 174.491 174.600 -0.034 0.000 1.281 339 S CA -0.596 57.583 58.200 -0.035 0.000 1.035 339 S CB 0.344 63.519 63.200 -0.041 0.000 0.962 339 S HN 0.701 nan 8.310 nan 0.000 0.512 340 D N 1.862 122.245 120.400 -0.027 0.000 2.462 340 D HA 0.178 4.818 4.640 -0.001 0.000 0.221 340 D C 0.638 176.923 176.300 -0.026 0.000 1.173 340 D CA -0.121 53.864 54.000 -0.025 0.000 0.831 340 D CB 0.220 41.009 40.800 -0.019 0.000 1.001 340 D HN 0.586 nan 8.370 nan 0.000 0.499 341 E N -0.344 119.838 120.200 -0.031 0.000 2.447 341 E HA 0.200 4.550 4.350 -0.001 0.000 0.204 341 E C -0.531 176.043 176.600 -0.043 0.000 0.977 341 E CA 0.221 56.601 56.400 -0.033 0.000 0.950 341 E CB 0.860 30.540 29.700 -0.033 0.000 0.975 341 E HN 0.024 nan 8.360 nan 0.000 0.496 342 V N 1.783 121.667 119.914 -0.050 0.000 2.760 342 V HA 0.261 4.381 4.120 -0.001 0.000 0.309 342 V C -1.018 175.043 176.094 -0.056 0.000 1.077 342 V CA -1.108 61.157 62.300 -0.058 0.000 0.910 342 V CB 1.907 33.687 31.823 -0.073 0.000 1.008 342 V HN 0.003 nan 8.190 nan 0.000 0.424 343 E N 2.763 122.930 120.200 -0.055 0.000 2.491 343 E HA 0.384 4.734 4.350 -0.001 0.000 0.250 343 E C 1.063 177.623 176.600 -0.067 0.000 1.061 343 E CA 1.220 57.587 56.400 -0.054 0.000 0.942 343 E CB -0.105 29.565 29.700 -0.050 0.000 0.957 343 E HN 1.151 nan 8.360 nan 0.000 0.480 344 G N 2.368 111.127 108.800 -0.067 0.000 2.372 344 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.297 344 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.297 344 G C -0.228 174.611 174.900 -0.102 0.000 1.005 344 G CA 0.215 45.265 45.100 -0.084 0.000 1.173 344 G HN 0.368 nan 8.290 nan 0.000 0.511 345 V N 0.553 120.414 119.914 -0.089 0.000 2.531 345 V HA 0.443 4.562 4.120 -0.001 0.000 0.301 345 V C 0.785 176.816 176.094 -0.105 0.000 1.034 345 V CA -1.025 61.218 62.300 -0.094 0.000 0.865 345 V CB 2.076 33.855 31.823 -0.074 0.000 0.995 345 V HN 0.363 nan 8.190 nan 0.000 0.424 346 V N 3.942 123.754 119.914 -0.170 0.000 2.493 346 V HA 0.018 4.137 4.120 -0.001 0.000 0.292 346 V C 1.380 177.371 176.094 -0.171 0.000 1.016 346 V CA 0.559 62.711 62.300 -0.247 0.000 1.097 346 V CB 0.628 32.143 31.823 -0.514 0.000 0.947 346 V HN 1.069 nan 8.190 nan 0.000 0.479 347 E N 2.535 122.702 120.200 -0.056 0.000 2.122 347 E HA -0.018 4.331 4.350 -0.001 0.000 0.190 347 E C 0.865 177.540 176.600 0.125 0.000 0.977 347 E CA 1.005 57.424 56.400 0.032 0.000 0.820 347 E CB 0.483 30.187 29.700 0.007 0.000 0.770 347 E HN 0.774 nan 8.360 nan 0.000 0.462 348 T N -0.681 113.929 114.554 0.093 0.000 2.932 348 T HA 0.442 4.792 4.350 -0.001 0.000 0.318 348 T C -1.290 173.480 174.700 0.118 0.000 1.265 348 T CA -0.210 61.968 62.100 0.131 0.000 1.036 348 T CB 1.659 70.559 68.868 0.053 0.000 1.209 348 T HN 0.163 nan 8.240 nan 0.000 0.484 349 S N 3.122 118.921 115.700 0.165 0.000 2.643 349 S HA 0.879 5.349 4.470 -0.001 0.000 0.270 349 S C -1.431 173.221 174.600 0.087 0.000 1.166 349 S CA -0.689 57.589 58.200 0.131 0.000 0.815 349 S CB 1.265 64.587 63.200 0.204 0.000 1.139 349 S HN 1.764 nan 8.310 nan 0.000 0.472 350 L N -0.723 120.537 121.223 0.061 0.000 2.622 350 L HA 0.751 5.090 4.340 -0.001 0.000 0.258 350 L C -1.827 175.064 176.870 0.034 0.000 0.996 350 L CA -0.763 54.103 54.840 0.044 0.000 0.858 350 L CB 2.184 44.269 42.059 0.044 0.000 1.449 350 L HN 0.849 nan 8.230 nan 0.000 0.411 351 N N 1.681 120.397 118.700 0.026 0.000 2.504 351 N HA 0.320 5.060 4.740 -0.001 0.000 0.280 351 N C -1.540 173.983 175.510 0.022 0.000 1.052 351 N CA -0.297 52.763 53.050 0.017 0.000 0.887 351 N CB 2.682 41.167 38.487 -0.004 0.000 1.323 351 N HN 0.617 nan 8.380 nan 0.000 0.509 352 V N 3.865 123.793 119.914 0.024 0.000 2.364 352 V HA 0.190 4.310 4.120 -0.001 0.000 0.252 352 V C 1.521 177.629 176.094 0.023 0.000 1.075 352 V CA 0.346 62.659 62.300 0.022 0.000 1.033 352 V CB 0.475 32.307 31.823 0.015 0.000 1.116 352 V HN 0.838 nan 8.190 nan 0.000 0.488 353 G N 4.319 113.131 108.800 0.021 0.000 2.490 353 G HA2 0.170 4.129 3.960 -0.001 0.000 0.211 353 G HA3 0.170 4.129 3.960 -0.001 0.000 0.211 353 G C 0.353 175.271 174.900 0.030 0.000 1.159 353 G CA 0.282 45.396 45.100 0.023 0.000 0.819 353 G HN 0.506 nan 8.290 nan 0.000 0.539 354 V N 1.261 121.189 119.914 0.024 0.000 2.577 354 V HA 0.540 4.660 4.120 -0.001 0.000 0.303 354 V C -1.322 174.782 176.094 0.018 0.000 1.042 354 V CA -0.687 61.629 62.300 0.026 0.000 0.872 354 V CB 1.838 33.674 31.823 0.021 0.000 0.998 354 V HN 0.085 nan 8.190 nan 0.000 0.423 355 I N 4.031 124.613 120.570 0.021 0.000 2.436 355 I HA 0.681 4.851 4.170 -0.001 0.000 0.289 355 I C 0.201 176.326 176.117 0.014 0.000 1.010 355 I CA -0.135 61.162 61.300 -0.005 0.000 1.098 355 I CB 2.306 40.243 38.000 -0.105 0.000 1.266 355 I HN 0.802 nan 8.210 nan 0.000 0.434 356 T N 0.801 115.355 114.554 -0.001 0.000 2.881 356 T HA 0.701 5.051 4.350 -0.001 0.000 0.290 356 T C -0.362 174.331 174.700 -0.012 0.000 1.000 356 T CA -0.658 61.442 62.100 -0.001 0.000 0.978 356 T CB 1.436 70.305 68.868 0.002 0.000 0.997 356 T HN 0.405 nan 8.240 nan 0.000 0.443 357 T N 3.454 118.011 114.554 0.005 0.000 2.823 357 T HA 0.586 4.936 4.350 -0.001 0.000 0.279 357 T C -0.154 174.550 174.700 0.006 0.000 0.998 357 T CA -0.768 61.337 62.100 0.008 0.000 0.994 357 T CB 1.202 70.123 68.868 0.089 0.000 0.960 357 T HN 0.868 nan 8.240 nan 0.000 0.448 358 E N 1.879 122.064 120.200 -0.025 0.000 2.404 358 E HA 0.463 4.813 4.350 -0.001 0.000 0.264 358 E C -0.913 175.644 176.600 -0.071 0.000 0.946 358 E CA -1.090 55.293 56.400 -0.027 0.000 0.806 358 E CB 1.044 30.728 29.700 -0.027 0.000 1.334 358 E HN 0.451 nan 8.360 nan 0.000 0.429 359 E N 1.594 121.751 120.200 -0.071 0.000 2.316 359 E HA 0.099 4.449 4.350 -0.001 0.000 0.275 359 E C -0.138 176.388 176.600 -0.124 0.000 1.029 359 E CA -0.344 55.988 56.400 -0.114 0.000 0.871 359 E CB 0.142 29.794 29.700 -0.080 0.000 1.022 359 E HN 0.707 nan 8.360 nan 0.000 0.418 360 N N 0.919 119.513 118.700 -0.178 0.000 2.967 360 N HA -0.198 4.541 4.740 -0.001 0.000 0.212 360 N C -0.427 175.004 175.510 -0.131 0.000 0.884 360 N CA 1.499 54.461 53.050 -0.146 0.000 1.030 360 N CB -0.846 37.584 38.487 -0.095 0.000 1.018 360 N HN 0.668 nan 8.380 nan 0.000 0.596 361 K N 0.942 121.261 120.400 -0.135 0.000 2.565 361 K HA 0.537 4.856 4.320 -0.001 0.000 0.249 361 K C -1.448 175.091 176.600 -0.101 0.000 0.958 361 K CA -0.379 55.852 56.287 -0.093 0.000 0.806 361 K CB 2.235 34.700 32.500 -0.060 0.000 1.194 361 K HN -0.094 nan 8.250 nan 0.000 0.434 362 V N 2.715 122.582 119.914 -0.078 0.000 2.487 362 V HA 0.468 4.587 4.120 -0.001 0.000 0.298 362 V C -0.243 175.874 176.094 0.039 0.000 1.028 362 V CA -0.687 61.554 62.300 -0.099 0.000 0.860 362 V CB 1.664 33.274 31.823 -0.355 0.000 0.991 362 V HN 0.878 nan 8.190 nan 0.000 0.427 363 T N 3.283 117.850 114.554 0.020 0.000 2.841 363 T HA 0.726 5.075 4.350 -0.001 0.000 0.283 363 T C -1.072 173.667 174.700 0.065 0.000 1.000 363 T CA -0.525 61.608 62.100 0.055 0.000 0.977 363 T CB 1.707 70.578 68.868 0.005 0.000 0.979 363 T HN 0.357 nan 8.240 nan 0.000 0.446 364 V N 5.368 125.341 119.914 0.097 0.000 2.325 364 V HA 0.468 4.588 4.120 -0.001 0.000 0.280 364 V C -0.682 175.428 176.094 0.026 0.000 1.016 364 V CA -0.807 61.542 62.300 0.082 0.000 0.818 364 V CB 0.726 32.648 31.823 0.166 0.000 1.019 364 V HN 0.783 nan 8.190 nan 0.000 0.434 365 L N 5.436 126.666 121.223 0.011 0.000 2.307 365 L HA 0.810 5.150 4.340 -0.001 0.000 0.282 365 L C 0.134 177.009 176.870 0.009 0.000 1.051 365 L CA 0.278 55.117 54.840 -0.002 0.000 0.804 365 L CB 1.389 43.448 42.059 0.001 0.000 1.197 365 L HN 0.970 nan 8.230 nan 0.000 0.431 366 C N 2.794 122.101 119.300 0.012 0.000 3.321 366 C HA 0.875 5.335 4.460 -0.001 0.000 0.329 366 C C -1.346 173.675 174.990 0.052 0.000 1.394 366 C CA -1.223 57.814 59.018 0.031 0.000 1.291 366 C CB 1.249 29.012 27.740 0.039 0.000 1.606 366 C HN 0.828 nan 8.230 nan 0.000 0.463 367 L N 1.847 123.100 121.223 0.051 0.000 2.476 367 L HA 0.791 5.131 4.340 -0.001 0.000 0.269 367 L C -1.176 175.717 176.870 0.037 0.000 0.965 367 L CA -0.465 54.408 54.840 0.055 0.000 0.845 367 L CB 1.331 43.412 42.059 0.036 0.000 1.259 367 L HN 0.812 nan 8.230 nan 0.000 0.403 368 I N 4.740 125.331 120.570 0.035 0.000 2.359 368 I HA 0.525 4.694 4.170 -0.001 0.000 0.294 368 I C -0.037 176.041 176.117 -0.065 0.000 0.987 368 I CA -0.501 60.800 61.300 0.000 0.000 1.225 368 I CB 1.343 39.339 38.000 -0.006 0.000 1.366 368 I HN 0.588 nan 8.210 nan 0.000 0.466 369 R N 3.633 124.090 120.500 -0.070 0.000 2.711 369 R HA 0.774 5.114 4.340 -0.001 0.000 0.284 369 R C -0.958 175.266 176.300 -0.126 0.000 0.968 369 R CA -0.730 55.262 56.100 -0.180 0.000 0.924 369 R CB 2.229 32.327 30.300 -0.336 0.000 1.162 369 R HN 0.596 nan 8.270 nan 0.000 0.465 370 S N 1.278 116.880 115.700 -0.163 0.000 2.542 370 S HA 0.258 4.727 4.470 -0.001 0.000 0.276 370 S C 0.416 174.990 174.600 -0.044 0.000 1.148 370 S CA -0.706 57.469 58.200 -0.042 0.000 0.886 370 S CB 1.082 64.266 63.200 -0.027 0.000 1.109 370 S HN 0.632 nan 8.310 nan 0.000 0.458 371 L N 2.300 123.545 121.223 0.036 0.000 2.093 371 L HA 0.156 4.495 4.340 -0.001 0.000 0.208 371 L C 0.059 176.939 176.870 0.018 0.000 1.085 371 L CA 1.034 55.890 54.840 0.026 0.000 0.755 371 L CB -0.287 41.791 42.059 0.032 0.000 0.904 371 L HN 0.499 nan 8.230 nan 0.000 0.435 372 I N 0.141 120.718 120.570 0.012 0.000 2.321 372 I HA 0.066 4.236 4.170 -0.001 0.000 0.291 372 I C 0.779 176.887 176.117 -0.016 0.000 0.998 372 I CA -0.009 61.294 61.300 0.006 0.000 1.227 372 I CB 1.049 39.053 38.000 0.006 0.000 1.368 372 I HN -0.070 nan 8.210 nan 0.000 0.466 373 D N 2.201 122.591 120.400 -0.016 0.000 2.219 373 D HA -0.154 4.486 4.640 -0.001 0.000 0.205 373 D C 2.051 178.324 176.300 -0.045 0.000 0.970 373 D CA 1.299 55.274 54.000 -0.041 0.000 0.851 373 D CB 0.113 40.896 40.800 -0.028 0.000 0.943 373 D HN 0.582 nan 8.370 nan 0.000 0.488 374 S N 0.223 115.906 115.700 -0.027 0.000 2.382 374 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 374 S C 2.126 176.705 174.600 -0.036 0.000 1.027 374 S CA 1.691 59.873 58.200 -0.029 0.000 0.991 374 S CB -0.437 62.754 63.200 -0.015 0.000 0.823 374 S HN 0.262 nan 8.310 nan 0.000 0.469 375 G N 0.965 109.748 108.800 -0.030 0.000 2.421 375 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.217 375 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.217 375 G C 1.601 176.474 174.900 -0.045 0.000 1.143 375 G CA 0.449 45.533 45.100 -0.028 0.000 0.784 375 G HN 0.531 nan 8.290 nan 0.000 0.541 376 R N 0.206 120.668 120.500 -0.065 0.000 2.075 376 R HA -0.018 4.322 4.340 -0.001 0.000 0.232 376 R C 2.693 178.914 176.300 -0.130 0.000 1.126 376 R CA 1.470 57.511 56.100 -0.097 0.000 0.963 376 R CB -0.386 29.837 30.300 -0.128 0.000 0.858 376 R HN 0.342 nan 8.270 nan 0.000 0.435 377 S N 0.340 115.964 115.700 -0.126 0.000 2.356 377 S HA -0.201 4.269 4.470 -0.001 0.000 0.223 377 S C 1.881 176.410 174.600 -0.117 0.000 1.032 377 S CA 1.259 59.370 58.200 -0.147 0.000 1.005 377 S CB -0.210 62.925 63.200 -0.108 0.000 0.867 377 S HN 0.380 nan 8.310 nan 0.000 0.449 378 Q N 0.623 120.378 119.800 -0.075 0.000 2.118 378 Q HA -0.161 4.179 4.340 -0.001 0.000 0.211 378 Q C 2.093 178.062 176.000 -0.051 0.000 0.998 378 Q CA 2.282 58.054 55.803 -0.051 0.000 0.872 378 Q CB -0.527 28.191 28.738 -0.033 0.000 0.925 378 Q HN 0.515 nan 8.270 nan 0.000 0.414 379 V N 1.006 120.886 119.914 -0.057 0.000 2.515 379 V HA -0.207 3.913 4.120 -0.001 0.000 0.250 379 V C 2.089 178.152 176.094 -0.052 0.000 1.058 379 V CA 1.924 64.202 62.300 -0.038 0.000 1.064 379 V CB -0.578 31.233 31.823 -0.021 0.000 0.675 379 V HN 0.368 nan 8.190 nan 0.000 0.461 380 E N 0.872 120.976 120.200 -0.160 0.000 2.077 380 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 380 E C 2.381 178.928 176.600 -0.088 0.000 0.989 380 E CA 1.299 57.516 56.400 -0.306 0.000 0.800 380 E CB -0.522 28.758 29.700 -0.700 0.000 0.746 380 E HN 0.638 nan 8.360 nan 0.000 0.452 381 G N 1.349 110.103 108.800 -0.077 0.000 2.446 381 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.217 381 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.217 381 G C 1.592 176.501 174.900 0.016 0.000 1.168 381 G CA 0.845 45.932 45.100 -0.021 0.000 0.771 381 G HN 0.080 nan 8.290 nan 0.000 0.551 382 M N -0.080 119.528 119.600 0.013 0.000 2.149 382 M HA 0.033 4.512 4.480 -0.001 0.000 0.261 382 M C 2.588 178.920 176.300 0.053 0.000 1.064 382 M CA 1.017 56.333 55.300 0.027 0.000 1.102 382 M CB -0.379 32.233 32.600 0.020 0.000 1.369 382 M HN 0.157 nan 8.290 nan 0.000 0.408 383 L N -0.418 120.859 121.223 0.089 0.000 2.141 383 L HA -0.232 4.107 4.340 -0.001 0.000 0.209 383 L C 2.604 179.543 176.870 0.114 0.000 1.094 383 L CA 1.327 56.244 54.840 0.129 0.000 0.763 383 L CB -0.574 41.635 42.059 0.249 0.000 0.908 383 L HN 0.453 nan 8.230 nan 0.000 0.437 384 Q N -0.474 119.403 119.800 0.128 0.000 2.079 384 Q HA -0.170 4.170 4.340 -0.001 0.000 0.200 384 Q C 2.302 178.329 176.000 0.044 0.000 0.974 384 Q CA 1.839 57.698 55.803 0.094 0.000 0.840 384 Q CB 0.184 28.980 28.738 0.097 0.000 0.898 384 Q HN 0.453 nan 8.270 nan 0.000 0.430 385 S N -0.035 115.688 115.700 0.038 0.000 2.351 385 S HA -0.161 4.309 4.470 -0.001 0.000 0.220 385 S C 2.049 176.664 174.600 0.025 0.000 1.035 385 S CA 1.445 59.660 58.200 0.025 0.000 1.031 385 S CB -0.572 62.641 63.200 0.021 0.000 0.928 385 S HN 0.234 nan 8.310 nan 0.000 0.433 386 V N 2.621 122.554 119.914 0.032 0.000 2.231 386 V HA -0.332 3.788 4.120 -0.001 0.000 0.250 386 V C 2.743 178.855 176.094 0.031 0.000 1.058 386 V CA 2.032 64.355 62.300 0.038 0.000 1.022 386 V CB -1.511 30.341 31.823 0.047 0.000 0.640 386 V HN 0.580 nan 8.190 nan 0.000 0.445 387 A N 0.481 123.306 122.820 0.007 0.000 1.903 387 A HA -0.347 3.973 4.320 -0.001 0.000 0.219 387 A C 2.215 179.768 177.584 -0.051 0.000 1.191 387 A CA 2.641 54.645 52.037 -0.055 0.000 0.638 387 A CB -0.678 18.278 19.000 -0.074 0.000 0.823 387 A HN 0.790 nan 8.150 nan 0.000 0.451 388 E N 0.163 120.352 120.200 -0.019 0.000 2.072 388 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 388 E C 1.761 178.363 176.600 0.002 0.000 0.985 388 E CA 1.377 57.770 56.400 -0.012 0.000 0.801 388 E CB -0.605 29.094 29.700 -0.002 0.000 0.750 388 E HN 0.553 nan 8.360 nan 0.000 0.452 389 L N -0.130 121.103 121.223 0.016 0.000 2.191 389 L HA -0.042 4.298 4.340 -0.001 0.000 0.212 389 L C 1.991 178.890 176.870 0.048 0.000 1.103 389 L CA 1.085 55.943 54.840 0.029 0.000 0.769 389 L CB -0.295 41.782 42.059 0.031 0.000 0.908 389 L HN 0.360 nan 8.230 nan 0.000 0.438 390 A N -0.807 122.050 122.820 0.062 0.000 2.465 390 A HA 0.372 4.692 4.320 -0.001 0.000 0.255 390 A C 1.422 179.064 177.584 0.097 0.000 1.274 390 A CA 0.387 52.502 52.037 0.130 0.000 0.920 390 A CB -0.168 18.992 19.000 0.266 0.000 1.033 390 A HN 0.381 nan 8.150 nan 0.000 0.516 391 G N -0.310 108.504 108.800 0.023 0.000 2.412 391 G HA2 0.102 4.062 3.960 -0.001 0.000 0.297 391 G HA3 0.102 4.062 3.960 -0.001 0.000 0.297 391 G C 0.348 175.193 174.900 -0.092 0.000 0.965 391 G CA 0.750 45.840 45.100 -0.017 0.000 1.134 391 G HN 1.543 nan 8.290 nan 0.000 0.511 392 A N -0.555 122.137 122.820 -0.213 0.000 2.344 392 A HA 0.914 5.234 4.320 -0.001 0.000 0.307 392 A C 0.043 177.440 177.584 -0.312 0.000 1.151 392 A CA -0.406 51.367 52.037 -0.440 0.000 0.842 392 A CB 1.190 19.549 19.000 -1.069 0.000 1.350 392 A HN 0.620 nan 8.150 nan 0.000 0.459 393 Q N 0.050 119.652 119.800 -0.330 0.000 2.290 393 Q HA 0.568 4.908 4.340 -0.001 0.000 0.259 393 Q C -1.438 174.413 176.000 -0.247 0.000 0.941 393 Q CA -0.392 55.277 55.803 -0.224 0.000 0.912 393 Q CB 1.239 29.875 28.738 -0.170 0.000 1.244 393 Q HN 0.631 nan 8.270 nan 0.000 0.441 394 I N 2.753 123.196 120.570 -0.210 0.000 2.460 394 I HA 0.369 4.539 4.170 -0.001 0.000 0.298 394 I C -1.068 174.856 176.117 -0.323 0.000 0.989 394 I CA -0.042 61.084 61.300 -0.290 0.000 1.173 394 I CB 1.619 39.497 38.000 -0.203 0.000 1.338 394 I HN 0.682 nan 8.210 nan 0.000 0.456 395 E N 5.818 125.706 120.200 -0.520 0.000 2.308 395 E HA 0.464 4.814 4.350 -0.001 0.000 0.275 395 E C -1.868 174.374 176.600 -0.597 0.000 0.890 395 E CA -0.568 55.608 56.400 -0.374 0.000 0.754 395 E CB 1.598 31.169 29.700 -0.214 0.000 1.207 395 E HN 0.449 nan 8.360 nan 0.000 0.426 396 F N 1.409 121.347 119.950 -0.021 0.000 2.551 396 F HA 0.537 5.063 4.527 -0.001 0.000 0.316 396 F C 0.325 176.119 175.800 -0.010 0.000 1.089 396 F CA -0.279 57.712 58.000 -0.015 0.000 0.915 396 F CB 2.166 41.156 39.000 -0.018 0.000 1.186 396 F HN 0.479 nan 8.300 nan 0.000 0.456 397 S N -0.190 115.631 115.700 0.202 0.000 2.724 397 S HA 0.651 5.121 4.470 -0.001 0.000 0.278 397 S C 0.061 174.737 174.600 0.127 0.000 1.190 397 S CA -0.536 57.736 58.200 0.119 0.000 0.860 397 S CB 0.967 64.204 63.200 0.062 0.000 1.206 397 S HN 1.691 nan 8.310 nan 0.000 0.507 398 G N 0.024 108.887 108.800 0.105 0.000 2.249 398 G HA2 0.178 4.138 3.960 -0.001 0.000 0.273 398 G HA3 0.178 4.138 3.960 -0.001 0.000 0.273 398 G C 0.401 175.462 174.900 0.269 0.000 1.036 398 G CA 0.309 45.503 45.100 0.157 0.000 0.824 398 G HN 1.722 nan 8.290 nan 0.000 0.504 399 A N -0.147 122.782 122.820 0.182 0.000 2.371 399 A HA 0.796 5.116 4.320 -0.001 0.000 0.257 399 A C -0.053 177.724 177.584 0.323 0.000 1.089 399 A CA 0.457 52.572 52.037 0.131 0.000 0.794 399 A CB 0.398 19.423 19.000 0.041 0.000 1.029 399 A HN 1.797 nan 8.150 nan 0.000 0.488 400 Y N -1.070 119.300 120.300 0.116 0.000 2.521 400 Y HA 0.613 5.163 4.550 -0.001 0.000 0.332 400 Y C -3.206 172.744 175.900 0.084 0.000 1.121 400 Y CA -2.852 55.358 58.100 0.184 0.000 1.037 400 Y CB 0.526 39.114 38.460 0.214 0.000 1.330 400 Y HN 0.421 nan 8.280 nan 0.000 0.452 401 P HA 0.207 nan 4.420 nan 0.000 0.266 401 P C 0.300 177.624 177.300 0.040 0.000 1.195 401 P CA 0.384 63.516 63.100 0.054 0.000 0.768 401 P CB 0.928 32.676 31.700 0.079 0.000 0.838 402 G N 0.913 109.722 108.800 0.016 0.000 2.535 402 G HA2 0.403 4.362 3.960 -0.001 0.000 0.303 402 G HA3 0.403 4.362 3.960 -0.001 0.000 0.303 402 G C -1.767 173.239 174.900 0.176 0.000 1.237 402 G CA -0.312 44.824 45.100 0.060 0.000 0.986 402 G HN 0.516 nan 8.290 nan 0.000 0.494 403 W N 1.592 122.876 121.300 -0.027 0.000 2.543 403 W HA 0.521 5.181 4.660 -0.000 0.000 0.318 403 W C -0.010 176.512 176.519 0.006 0.000 1.002 403 W CA -1.977 55.361 57.345 -0.011 0.000 1.302 403 W CB 0.603 30.047 29.460 -0.028 0.000 1.299 403 W HN 0.561 nan 8.180 nan 0.000 0.424 404 K N 6.986 127.486 120.400 0.167 0.000 2.174 404 K HA 0.660 4.980 4.320 -0.001 0.000 0.275 404 K C -2.347 174.189 176.600 -0.107 0.000 1.015 404 K CA -1.262 55.019 56.287 -0.010 0.000 0.933 404 K CB 1.343 33.866 32.500 0.039 0.000 1.025 404 K HN 0.166 nan 8.250 nan 0.000 0.463 405 P HA 0.232 nan 4.420 nan 0.000 0.286 405 P C -1.347 175.917 177.300 -0.061 0.000 1.261 405 P CA -0.409 62.581 63.100 -0.183 0.000 0.821 405 P CB 0.918 32.484 31.700 -0.224 0.000 1.013 406 D N 0.825 121.210 120.400 -0.026 0.000 2.446 406 D HA 0.411 5.051 4.640 -0.001 0.000 0.251 406 D C 1.076 177.374 176.300 -0.003 0.000 1.137 406 D CA -0.426 53.578 54.000 0.007 0.000 0.890 406 D CB 0.705 41.533 40.800 0.047 0.000 1.071 406 D HN 0.249 nan 8.370 nan 0.000 0.528 407 A N 2.946 125.757 122.820 -0.016 0.000 2.131 407 A HA -0.111 4.208 4.320 -0.001 0.000 0.220 407 A C 0.788 178.371 177.584 -0.002 0.000 1.158 407 A CA 0.824 52.850 52.037 -0.018 0.000 0.665 407 A CB -0.179 18.808 19.000 -0.023 0.000 0.795 407 A HN 0.550 nan 8.150 nan 0.000 0.460 408 D N -0.057 120.347 120.400 0.008 0.000 2.524 408 D HA 0.312 4.951 4.640 -0.001 0.000 0.222 408 D C -0.601 175.716 176.300 0.028 0.000 1.142 408 D CA 0.029 54.038 54.000 0.016 0.000 0.973 408 D CB 0.430 41.240 40.800 0.017 0.000 1.025 408 D HN 0.006 nan 8.370 nan 0.000 0.519 409 S N 1.741 117.459 115.700 0.031 0.000 2.614 409 S HA 0.204 4.673 4.470 -0.001 0.000 0.288 409 S C 0.830 175.458 174.600 0.048 0.000 1.137 409 S CA -0.599 57.629 58.200 0.048 0.000 0.992 409 S CB 1.643 64.877 63.200 0.057 0.000 1.026 409 S HN 0.255 nan 8.310 nan 0.000 0.486 410 E N 2.628 122.860 120.200 0.053 0.000 2.012 410 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 410 E C 1.659 178.296 176.600 0.061 0.000 1.007 410 E CA 2.163 58.593 56.400 0.049 0.000 0.816 410 E CB -0.388 29.341 29.700 0.048 0.000 0.762 410 E HN 0.836 nan 8.360 nan 0.000 0.451 411 I N -0.846 119.771 120.570 0.079 0.000 2.493 411 I HA -0.130 4.040 4.170 -0.001 0.000 0.254 411 I C 2.235 178.429 176.117 0.129 0.000 1.160 411 I CA 1.118 62.480 61.300 0.104 0.000 1.445 411 I CB -0.372 37.700 38.000 0.120 0.000 1.086 411 I HN 0.055 nan 8.210 nan 0.000 0.433 412 M N 1.731 121.387 119.600 0.093 0.000 2.156 412 M HA 0.174 4.654 4.480 -0.001 0.000 0.264 412 M C 2.287 178.634 176.300 0.078 0.000 1.067 412 M CA 1.738 57.075 55.300 0.061 0.000 1.131 412 M CB -0.931 31.679 32.600 0.018 0.000 1.368 412 M HN 0.330 nan 8.290 nan 0.000 0.416 413 A N 0.447 123.302 122.820 0.059 0.000 1.855 413 A HA -0.096 4.224 4.320 -0.001 0.000 0.215 413 A C 2.059 179.679 177.584 0.060 0.000 1.191 413 A CA 1.550 53.615 52.037 0.047 0.000 0.613 413 A CB -0.942 18.076 19.000 0.029 0.000 0.829 413 A HN 0.477 nan 8.150 nan 0.000 0.442 414 I N -1.157 119.449 120.570 0.060 0.000 2.145 414 I HA -0.279 3.891 4.170 -0.001 0.000 0.244 414 I C 2.356 178.500 176.117 0.045 0.000 1.075 414 I CA 1.735 63.059 61.300 0.040 0.000 1.332 414 I CB -1.460 36.563 38.000 0.038 0.000 1.033 414 I HN 0.447 nan 8.210 nan 0.000 0.410 415 F N 2.388 122.305 119.950 -0.055 0.000 2.069 415 F HA -0.296 4.231 4.527 -0.001 0.000 0.298 415 F C 2.843 178.612 175.800 -0.052 0.000 1.113 415 F CA 2.293 60.243 58.000 -0.084 0.000 1.214 415 F CB -0.335 38.590 39.000 -0.124 0.000 0.978 415 F HN 0.108 nan 8.300 nan 0.000 0.474 416 R N -0.123 120.509 120.500 0.220 0.000 2.120 416 R HA -0.121 4.218 4.340 -0.001 0.000 0.234 416 R C 1.036 177.364 176.300 0.048 0.000 1.123 416 R CA 1.957 58.129 56.100 0.120 0.000 0.975 416 R CB -1.135 29.198 30.300 0.055 0.000 0.866 416 R HN 0.230 nan 8.270 nan 0.000 0.446 417 D N -0.415 119.994 120.400 0.016 0.000 2.349 417 D HA 0.021 4.660 4.640 -0.001 0.000 0.224 417 D C 0.793 177.061 176.300 -0.053 0.000 1.029 417 D CA 0.513 54.505 54.000 -0.014 0.000 0.879 417 D CB 0.434 41.228 40.800 -0.010 0.000 0.906 417 D HN 0.151 nan 8.370 nan 0.000 0.528 418 M N -1.499 118.043 119.600 -0.098 0.000 2.249 418 M HA 0.186 4.666 4.480 -0.001 0.000 0.318 418 M C 0.567 176.733 176.300 -0.223 0.000 0.930 418 M CA -0.036 55.164 55.300 -0.167 0.000 1.080 418 M CB 0.278 32.749 32.600 -0.215 0.000 1.797 418 M HN -0.001 nan 8.290 nan 0.000 0.619 419 Y N 0.992 121.092 120.300 -0.334 0.000 2.561 419 Y HA -0.053 4.496 4.550 -0.001 0.000 0.291 419 Y C 1.848 177.607 175.900 -0.235 0.000 1.141 419 Y CA 1.511 59.408 58.100 -0.337 0.000 1.303 419 Y CB 0.210 38.509 38.460 -0.267 0.000 1.015 419 Y HN 0.410 nan 8.280 nan 0.000 0.547 420 E N -0.681 119.485 120.200 -0.058 0.000 2.482 420 E HA 0.028 4.377 4.350 -0.001 0.000 0.196 420 E C 2.184 178.709 176.600 -0.124 0.000 1.047 420 E CA 0.881 57.233 56.400 -0.079 0.000 0.869 420 E CB -0.462 29.207 29.700 -0.051 0.000 0.836 420 E HN 0.382 nan 8.360 nan 0.000 0.520 421 G N 2.338 111.032 108.800 -0.175 0.000 2.552 421 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.216 421 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.216 421 G C 1.055 175.863 174.900 -0.154 0.000 1.240 421 G CA 0.977 45.979 45.100 -0.163 0.000 0.796 421 G HN 0.566 nan 8.290 nan 0.000 0.568 422 I N -1.489 118.934 120.570 -0.246 0.000 2.268 422 I HA 0.556 4.725 4.170 -0.001 0.000 0.290 422 I C 0.151 176.153 176.117 -0.191 0.000 1.125 422 I CA -0.965 60.232 61.300 -0.171 0.000 1.236 422 I CB -0.380 37.501 38.000 -0.198 0.000 1.469 422 I HN 0.684 nan 8.210 nan 0.000 0.512 423 Y N 3.527 123.753 120.300 -0.123 0.000 2.930 423 Y HA -0.065 4.485 4.550 -0.001 0.000 0.464 423 Y C 0.051 175.933 175.900 -0.031 0.000 1.220 423 Y CA -0.086 57.975 58.100 -0.065 0.000 2.415 423 Y CB -2.219 36.220 38.460 -0.035 0.000 1.260 423 Y HN 0.769 nan 8.280 nan 0.000 0.637 424 G N -2.211 106.553 108.800 -0.061 0.000 2.815 424 G HA2 0.380 4.340 3.960 -0.001 0.000 0.305 424 G HA3 0.380 4.340 3.960 -0.001 0.000 0.305 424 G C -0.512 174.394 174.900 0.011 0.000 1.277 424 G CA -0.161 44.911 45.100 -0.046 0.000 0.795 424 G HN 1.050 nan 8.290 nan 0.000 0.528 425 H N -0.236 118.885 119.070 0.085 0.000 2.436 425 H HA 0.205 4.760 4.556 -0.001 0.000 0.294 425 H C 0.472 175.813 175.328 0.021 0.000 1.048 425 H CA 1.524 57.610 56.048 0.064 0.000 1.353 425 H CB 0.405 30.204 29.762 0.061 0.000 1.414 425 H HN 0.375 nan 8.280 nan 0.000 0.536 426 K N -0.413 120.045 120.400 0.097 0.000 2.894 426 K HA 0.123 4.443 4.320 -0.001 0.000 0.293 426 K C -2.934 173.543 176.600 -0.205 0.000 1.091 426 K CA -1.092 55.185 56.287 -0.016 0.000 0.865 426 K CB 1.499 34.000 32.500 0.001 0.000 1.441 426 K HN -0.102 nan 8.250 nan 0.000 0.361 427 P HA 0.082 nan 4.420 nan 0.000 0.276 427 P C -1.178 175.931 177.300 -0.318 0.000 1.252 427 P CA -0.302 62.371 63.100 -0.711 0.000 0.802 427 P CB 0.388 31.435 31.700 -1.088 0.000 1.035 428 N N 1.532 120.091 118.700 -0.236 0.000 2.421 428 N HA 0.081 4.821 4.740 -0.001 0.000 0.260 428 N C -0.255 175.118 175.510 -0.228 0.000 1.173 428 N CA -0.474 52.475 53.050 -0.169 0.000 0.960 428 N CB -0.117 38.303 38.487 -0.112 0.000 1.273 428 N HN 0.178 nan 8.380 nan 0.000 0.497 429 I N 3.445 123.887 120.570 -0.213 0.000 2.519 429 I HA 0.290 4.459 4.170 -0.001 0.000 0.287 429 I C 0.477 176.486 176.117 -0.181 0.000 1.047 429 I CA 0.083 61.243 61.300 -0.234 0.000 1.381 429 I CB 1.160 39.044 38.000 -0.193 0.000 1.417 429 I HN 0.668 nan 8.210 nan 0.000 0.540 430 M N 4.771 124.263 119.600 -0.180 0.000 2.622 430 M HA 0.544 5.023 4.480 -0.001 0.000 0.276 430 M C -1.809 174.501 176.300 0.016 0.000 1.265 430 M CA -0.707 54.549 55.300 -0.073 0.000 0.850 430 M CB 2.963 35.527 32.600 -0.061 0.000 1.720 430 M HN 0.162 nan 8.290 nan 0.000 0.465 431 V N 3.546 123.489 119.914 0.048 0.000 2.559 431 V HA 0.398 4.517 4.120 -0.001 0.000 0.289 431 V C -0.577 175.549 176.094 0.053 0.000 1.036 431 V CA -0.706 61.588 62.300 -0.010 0.000 0.887 431 V CB 1.227 32.992 31.823 -0.096 0.000 1.022 431 V HN 0.749 nan 8.190 nan 0.000 0.442 432 I N 0.033 120.629 120.570 0.043 0.000 2.396 432 I HA 0.552 4.722 4.170 -0.001 0.000 0.292 432 I C 0.355 176.531 176.117 0.097 0.000 0.999 432 I CA -0.485 60.849 61.300 0.057 0.000 1.310 432 I CB 0.750 38.709 38.000 -0.069 0.000 1.404 432 I HN 0.521 nan 8.210 nan 0.000 0.496 433 H N 5.041 124.135 119.070 0.039 0.000 2.966 433 H HA 0.681 5.237 4.556 -0.000 0.000 0.217 433 H C -0.421 174.955 175.328 0.080 0.000 1.906 433 H CA 0.120 56.199 56.048 0.051 0.000 1.351 433 H CB -0.391 29.415 29.762 0.072 0.000 1.722 433 H HN 0.826 nan 8.280 nan 0.000 0.562 434 A N 0.519 123.341 122.820 0.005 0.000 2.610 434 A HA 0.619 4.938 4.320 -0.001 0.000 0.291 434 A C -0.065 177.541 177.584 0.037 0.000 1.086 434 A CA -0.375 51.683 52.037 0.035 0.000 0.677 434 A CB 0.588 19.622 19.000 0.056 0.000 1.278 434 A HN 0.533 nan 8.150 nan 0.000 0.414 435 G N -0.264 108.589 108.800 0.088 0.000 2.415 435 G HA2 0.562 4.521 3.960 -0.001 0.000 0.269 435 G HA3 0.562 4.521 3.960 -0.001 0.000 0.269 435 G C -0.709 174.158 174.900 -0.054 0.000 1.209 435 G CA -0.239 44.912 45.100 0.085 0.000 0.835 435 G HN 0.695 nan 8.290 nan 0.000 0.534 436 L N 0.921 122.104 121.223 -0.067 0.000 2.401 436 L HA 0.325 4.664 4.340 -0.001 0.000 0.266 436 L C 1.455 178.180 176.870 -0.242 0.000 0.991 436 L CA -0.769 53.991 54.840 -0.133 0.000 0.818 436 L CB 2.667 44.679 42.059 -0.077 0.000 1.321 436 L HN 0.875 nan 8.230 nan 0.000 0.413 437 E N 1.194 121.220 120.200 -0.290 0.000 2.108 437 E HA -0.305 4.045 4.350 -0.001 0.000 0.203 437 E C 1.819 177.956 176.600 -0.772 0.000 1.022 437 E CA 2.699 58.847 56.400 -0.420 0.000 0.823 437 E CB 0.022 29.557 29.700 -0.274 0.000 0.744 437 E HN 0.926 nan 8.360 nan 0.000 0.456 438 C N -0.064 118.771 119.300 -0.773 0.000 2.410 438 C HA 0.068 4.527 4.460 -0.001 0.000 0.281 438 C C 2.635 176.896 174.990 -1.215 0.000 1.318 438 C CA 0.319 58.531 59.018 -1.344 0.000 1.776 438 C CB -1.846 25.490 27.740 -0.674 0.000 1.942 438 C HN 0.544 nan 8.230 nan 0.000 0.508 439 G N 1.651 110.053 108.800 -0.664 0.000 2.491 439 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.218 439 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.218 439 G C 1.306 176.001 174.900 -0.341 0.000 1.180 439 G CA 1.275 46.165 45.100 -0.350 0.000 0.774 439 G HN 0.460 nan 8.290 nan 0.000 0.562 440 L N 0.582 121.555 121.223 -0.417 0.000 2.197 440 L HA -0.039 4.301 4.340 -0.001 0.000 0.215 440 L C 2.581 179.416 176.870 -0.058 0.000 1.095 440 L CA 0.974 55.660 54.840 -0.257 0.000 0.764 440 L CB -1.217 40.587 42.059 -0.425 0.000 0.897 440 L HN 0.366 nan 8.230 nan 0.000 0.436 441 F N -0.464 119.432 119.950 -0.089 0.000 2.365 441 F HA -0.144 4.383 4.527 -0.001 0.000 0.300 441 F C 2.136 177.965 175.800 0.048 0.000 1.090 441 F CA 0.152 58.148 58.000 -0.008 0.000 1.408 441 F CB -0.407 38.556 39.000 -0.063 0.000 1.060 441 F HN 0.067 nan 8.300 nan 0.000 0.534 442 K N 0.996 121.464 120.400 0.112 0.000 2.362 442 K HA -0.178 4.142 4.320 -0.001 0.000 0.200 442 K C 1.870 178.537 176.600 0.112 0.000 1.046 442 K CA 0.950 57.300 56.287 0.106 0.000 0.952 442 K CB -0.395 32.145 32.500 0.067 0.000 0.753 442 K HN 0.487 nan 8.250 nan 0.000 0.466 443 E N 1.887 122.153 120.200 0.110 0.000 2.021 443 E HA -0.111 4.239 4.350 -0.001 0.000 0.200 443 E C -1.462 175.180 176.600 0.070 0.000 1.015 443 E CA 0.769 57.228 56.400 0.098 0.000 0.824 443 E CB -1.027 28.750 29.700 0.128 0.000 0.762 443 E HN 0.133 nan 8.360 nan 0.000 0.454 444 P HA 0.085 nan 4.420 nan 0.000 0.285 444 P C -0.937 176.364 177.300 0.001 0.000 1.269 444 P CA -0.352 62.687 63.100 -0.103 0.000 0.844 444 P CB 0.157 31.757 31.700 -0.167 0.000 1.094 445 Y N -1.637 118.716 120.300 0.090 0.000 3.057 445 Y HA -0.153 4.397 4.550 -0.001 0.000 0.192 445 Y C -1.306 174.638 175.900 0.073 0.000 1.448 445 Y CA -0.476 57.671 58.100 0.078 0.000 1.065 445 Y CB -2.909 35.598 38.460 0.078 0.000 1.369 445 Y HN 0.394 nan 8.280 nan 0.000 0.460 446 P HA -0.211 nan 4.420 nan 0.000 0.219 446 P C -0.074 177.303 177.300 0.129 0.000 1.145 446 P CA 2.005 65.178 63.100 0.121 0.000 0.813 446 P CB 0.157 31.908 31.700 0.085 0.000 0.771 447 N N -0.399 118.384 118.700 0.139 0.000 2.776 447 N HA 0.307 5.047 4.740 -0.001 0.000 0.245 447 N C -0.768 174.817 175.510 0.125 0.000 1.121 447 N CA -0.438 52.684 53.050 0.121 0.000 0.852 447 N CB 0.937 39.483 38.487 0.098 0.000 1.142 447 N HN -0.040 nan 8.380 nan 0.000 0.514 448 M N 1.748 121.423 119.600 0.125 0.000 2.043 448 M HA 0.219 4.699 4.480 -0.001 0.000 0.322 448 M C -1.153 175.213 176.300 0.110 0.000 0.962 448 M CA -0.595 54.762 55.300 0.096 0.000 0.927 448 M CB 0.762 33.409 32.600 0.078 0.000 1.466 448 M HN 0.106 nan 8.290 nan 0.000 0.412 449 D N 6.493 126.955 120.400 0.104 0.000 2.359 449 D HA 0.404 5.044 4.640 -0.001 0.000 0.250 449 D C -0.861 175.524 176.300 0.142 0.000 1.264 449 D CA 0.412 54.490 54.000 0.130 0.000 0.911 449 D CB 0.145 41.007 40.800 0.102 0.000 1.056 449 D HN 0.691 nan 8.370 nan 0.000 0.499 450 M N 1.544 121.271 119.600 0.213 0.000 2.631 450 M HA 0.748 5.228 4.480 -0.001 0.000 0.288 450 M C -1.101 175.421 176.300 0.370 0.000 1.260 450 M CA -1.181 54.242 55.300 0.205 0.000 0.842 450 M CB 2.158 34.778 32.600 0.033 0.000 1.743 450 M HN -0.010 nan 8.290 nan 0.000 0.461 451 V N -1.742 118.358 119.914 0.309 0.000 3.216 451 V HA 0.959 5.078 4.120 -0.001 0.000 0.302 451 V C -1.037 175.295 176.094 0.396 0.000 1.286 451 V CA -0.476 62.047 62.300 0.373 0.000 1.048 451 V CB 1.528 33.416 31.823 0.109 0.000 1.081 451 V HN 1.188 nan 8.190 nan 0.000 0.442 452 S N 1.899 117.866 115.700 0.446 0.000 2.619 452 S HA 0.945 5.415 4.470 -0.001 0.000 0.280 452 S C -1.112 173.751 174.600 0.439 0.000 1.150 452 S CA -0.524 57.943 58.200 0.444 0.000 0.978 452 S CB 1.522 64.972 63.200 0.417 0.000 1.041 452 S HN 2.257 nan 8.310 nan 0.000 0.485 453 F N -0.288 119.737 119.950 0.126 0.000 2.678 453 F HA 0.987 5.514 4.527 -0.001 0.000 0.308 453 F C -0.216 175.654 175.800 0.118 0.000 1.118 453 F CA -0.416 57.643 58.000 0.097 0.000 0.959 453 F CB 0.986 40.117 39.000 0.219 0.000 1.305 453 F HN 0.990 nan 8.300 nan 0.000 0.443 454 G N 0.100 108.825 108.800 -0.124 0.000 2.619 454 G HA2 0.702 4.661 3.960 -0.001 0.000 0.305 454 G HA3 0.702 4.661 3.960 -0.001 0.000 0.305 454 G C -3.514 171.197 174.900 -0.316 0.000 1.330 454 G CA -1.458 43.227 45.100 -0.691 0.000 0.789 454 G HN 0.547 nan 8.290 nan 0.000 0.487 455 P HA 0.201 nan 4.420 nan 0.000 0.272 455 P C 0.202 177.457 177.300 -0.075 0.000 1.254 455 P CA 0.224 63.236 63.100 -0.147 0.000 0.795 455 P CB 0.206 31.776 31.700 -0.218 0.000 1.022 456 T N -1.505 113.045 114.554 -0.006 0.000 2.794 456 T HA 0.598 4.948 4.350 -0.001 0.000 0.304 456 T C 0.132 174.878 174.700 0.076 0.000 0.973 456 T CA -0.536 61.585 62.100 0.034 0.000 0.972 456 T CB -1.002 67.898 68.868 0.053 0.000 0.952 456 T HN 0.165 nan 8.240 nan 0.000 0.509 457 I N 2.782 123.379 120.570 0.045 0.000 2.404 457 I HA 0.435 4.605 4.170 -0.001 0.000 0.293 457 I C 0.257 176.367 176.117 -0.011 0.000 0.992 457 I CA -0.919 60.416 61.300 0.059 0.000 1.149 457 I CB 1.963 39.966 38.000 0.005 0.000 1.315 457 I HN 0.393 nan 8.210 nan 0.000 0.446 458 K N 6.468 126.799 120.400 -0.114 0.000 2.307 458 K HA 0.572 4.892 4.320 -0.001 0.000 0.263 458 K C -0.932 175.356 176.600 -0.520 0.000 0.973 458 K CA -0.637 55.342 56.287 -0.513 0.000 0.846 458 K CB 0.960 32.907 32.500 -0.922 0.000 1.100 458 K HN 0.573 nan 8.250 nan 0.000 0.438 459 F N 0.260 120.214 119.950 0.007 0.000 2.916 459 F HA -0.167 4.359 4.527 -0.001 0.000 0.333 459 F C -2.160 173.671 175.800 0.053 0.000 0.931 459 F CA -0.934 57.071 58.000 0.008 0.000 1.314 459 F CB -1.475 37.506 39.000 -0.031 0.000 1.438 459 F HN 0.377 nan 8.300 nan 0.000 0.627 460 P HA 0.091 nan 4.420 nan 0.000 0.272 460 P C 0.560 178.082 177.300 0.370 0.000 1.240 460 P CA 0.848 64.107 63.100 0.265 0.000 0.791 460 P CB 0.346 32.261 31.700 0.358 0.000 0.978 461 H N -3.306 115.791 119.070 0.044 0.000 3.641 461 H HA -0.125 4.431 4.556 -0.001 0.000 0.193 461 H C 0.146 175.477 175.328 0.005 0.000 1.013 461 H CA 1.147 57.200 56.048 0.008 0.000 1.212 461 H CB -1.747 28.013 29.762 -0.003 0.000 1.089 461 H HN 0.619 nan 8.280 nan 0.000 0.339 462 S N 0.059 115.842 115.700 0.138 0.000 2.566 462 S HA 0.465 4.934 4.470 -0.001 0.000 0.298 462 S C -2.268 172.373 174.600 0.069 0.000 1.083 462 S CA -1.327 56.919 58.200 0.077 0.000 0.978 462 S CB 3.254 66.484 63.200 0.050 0.000 1.073 462 S HN -0.246 nan 8.310 nan 0.000 0.491 463 P HA 0.006 nan 4.420 nan 0.000 0.231 463 P C -0.250 177.088 177.300 0.063 0.000 1.154 463 P CA 1.122 64.258 63.100 0.061 0.000 0.762 463 P CB -0.120 31.611 31.700 0.051 0.000 0.790 464 D N -1.720 118.717 120.400 0.061 0.000 2.395 464 D HA 0.003 4.643 4.640 -0.001 0.000 0.213 464 D C 0.309 176.719 176.300 0.184 0.000 1.110 464 D CA -0.119 53.931 54.000 0.083 0.000 0.835 464 D CB -0.294 40.492 40.800 -0.023 0.000 0.965 464 D HN 0.181 nan 8.370 nan 0.000 0.505 465 E N 2.357 122.659 120.200 0.170 0.000 2.752 465 E HA -0.093 4.257 4.350 -0.001 0.000 0.241 465 E C -0.271 176.385 176.600 0.095 0.000 1.016 465 E CA 0.285 56.776 56.400 0.152 0.000 0.952 465 E CB 0.109 29.882 29.700 0.122 0.000 0.921 465 E HN 0.192 nan 8.360 nan 0.000 0.515 466 K N 2.228 122.644 120.400 0.027 0.000 2.244 466 K HA 0.483 4.803 4.320 -0.001 0.000 0.260 466 K C -0.779 175.965 176.600 0.241 0.000 0.951 466 K CA -1.008 55.291 56.287 0.020 0.000 0.826 466 K CB 1.746 34.039 32.500 -0.345 0.000 1.108 466 K HN 0.149 nan 8.250 nan 0.000 0.433 467 V N -0.337 119.828 119.914 0.419 0.000 2.628 467 V HA 0.474 4.594 4.120 -0.001 0.000 0.306 467 V C -0.469 175.839 176.094 0.357 0.000 1.045 467 V CA -1.113 61.408 62.300 0.369 0.000 0.905 467 V CB 1.422 33.315 31.823 0.116 0.000 0.997 467 V HN 0.849 nan 8.190 nan 0.000 0.436 468 K N 2.349 122.756 120.400 0.011 0.000 2.262 468 K HA 0.530 4.850 4.320 -0.001 0.000 0.282 468 K C 0.694 177.190 176.600 -0.172 0.000 1.066 468 K CA -0.433 55.547 56.287 -0.512 0.000 0.901 468 K CB 1.008 33.095 32.500 -0.688 0.000 1.089 468 K HN 0.731 nan 8.250 nan 0.000 0.476 469 I N 2.896 123.374 120.570 -0.153 0.000 2.091 469 I HA -0.385 3.785 4.170 -0.001 0.000 0.239 469 I C 1.917 178.097 176.117 0.105 0.000 1.061 469 I CA 1.668 63.010 61.300 0.069 0.000 1.317 469 I CB -0.210 37.736 38.000 -0.090 0.000 1.031 469 I HN 0.801 nan 8.210 nan 0.000 0.401 470 D N 0.087 120.473 120.400 -0.024 0.000 2.221 470 D HA -0.228 4.412 4.640 -0.001 0.000 0.204 470 D C 1.968 178.306 176.300 0.063 0.000 0.982 470 D CA 1.943 55.953 54.000 0.015 0.000 0.857 470 D CB -0.822 39.955 40.800 -0.039 0.000 0.934 470 D HN 0.461 nan 8.370 nan 0.000 0.475 471 T N -1.268 113.309 114.554 0.037 0.000 2.995 471 T HA -0.024 4.325 4.350 -0.001 0.000 0.269 471 T C 2.178 176.978 174.700 0.167 0.000 1.091 471 T CA 0.716 62.868 62.100 0.087 0.000 1.128 471 T CB -0.432 68.460 68.868 0.040 0.000 0.891 471 T HN 0.028 nan 8.240 nan 0.000 0.492 472 V N 1.590 121.603 119.914 0.165 0.000 2.358 472 V HA -0.145 3.975 4.120 -0.001 0.000 0.246 472 V C 2.924 179.185 176.094 0.278 0.000 1.047 472 V CA 2.156 64.571 62.300 0.192 0.000 1.035 472 V CB -0.916 30.918 31.823 0.018 0.000 0.658 472 V HN 0.492 nan 8.190 nan 0.000 0.452 473 Q N -0.043 119.909 119.800 0.252 0.000 2.030 473 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 473 Q C 1.967 178.114 176.000 0.245 0.000 0.986 473 Q CA 2.044 57.995 55.803 0.246 0.000 0.843 473 Q CB -0.547 28.301 28.738 0.184 0.000 0.904 473 Q HN 0.407 nan 8.270 nan 0.000 0.420 474 L N 0.075 121.415 121.223 0.194 0.000 1.990 474 L HA -0.163 4.177 4.340 -0.001 0.000 0.213 474 L C 2.288 179.288 176.870 0.216 0.000 1.072 474 L CA 2.204 57.140 54.840 0.160 0.000 0.755 474 L CB -1.650 40.502 42.059 0.155 0.000 0.889 474 L HN 0.452 nan 8.230 nan 0.000 0.432 475 F N -0.861 119.193 119.950 0.173 0.000 2.087 475 F HA -0.342 4.184 4.527 -0.001 0.000 0.299 475 F C 2.482 178.443 175.800 0.268 0.000 1.100 475 F CA 1.978 60.120 58.000 0.236 0.000 1.226 475 F CB -0.501 38.579 39.000 0.135 0.000 0.983 475 F HN 0.292 nan 8.300 nan 0.000 0.479 476 W N 2.104 123.241 121.300 -0.272 0.000 2.388 476 W HA -0.181 4.478 4.660 -0.001 0.000 0.294 476 W C 1.705 178.089 176.519 -0.226 0.000 1.212 476 W CA 1.619 58.725 57.345 -0.398 0.000 1.271 476 W CB -0.557 28.797 29.460 -0.176 0.000 1.126 476 W HN 0.136 nan 8.180 nan 0.000 0.535 477 D N 0.544 120.864 120.400 -0.133 0.000 2.123 477 D HA -0.239 4.401 4.640 -0.001 0.000 0.196 477 D C 2.125 178.235 176.300 -0.315 0.000 0.992 477 D CA 2.004 55.872 54.000 -0.220 0.000 0.833 477 D CB -0.489 40.273 40.800 -0.065 0.000 0.954 477 D HN 0.442 nan 8.370 nan 0.000 0.455 478 Q N -0.162 119.483 119.800 -0.259 0.000 2.083 478 Q HA -0.091 4.249 4.340 -0.001 0.000 0.198 478 Q C 2.159 177.968 176.000 -0.317 0.000 0.969 478 Q CA 0.907 56.520 55.803 -0.317 0.000 0.838 478 Q CB -0.199 28.361 28.738 -0.298 0.000 0.900 478 Q HN 0.178 nan 8.270 nan 0.000 0.436 479 M N 0.673 120.100 119.600 -0.287 0.000 2.144 479 M HA -0.152 4.327 4.480 -0.001 0.000 0.260 479 M C 1.648 177.679 176.300 -0.447 0.000 1.067 479 M CA 1.537 56.662 55.300 -0.292 0.000 1.095 479 M CB -0.078 32.191 32.600 -0.552 0.000 1.365 479 M HN 0.024 nan 8.290 nan 0.000 0.406 480 V N 0.338 119.867 119.914 -0.643 0.000 2.379 480 V HA -0.037 4.083 4.120 -0.001 0.000 0.243 480 V C 2.652 178.561 176.094 -0.310 0.000 1.035 480 V CA 1.311 63.297 62.300 -0.524 0.000 1.035 480 V CB -1.835 29.636 31.823 -0.586 0.000 0.673 480 V HN 0.632 nan 8.190 nan 0.000 0.457 481 A N 1.628 124.267 122.820 -0.301 0.000 1.881 481 A HA -0.269 4.050 4.320 -0.001 0.000 0.219 481 A C 2.158 179.620 177.584 -0.203 0.000 1.215 481 A CA 2.785 54.680 52.037 -0.237 0.000 0.648 481 A CB -0.735 18.101 19.000 -0.274 0.000 0.832 481 A HN 0.665 nan 8.150 nan 0.000 0.455 482 L N -2.585 118.502 121.223 -0.228 0.000 2.162 482 L HA 0.194 4.534 4.340 -0.001 0.000 0.205 482 L C 2.197 179.006 176.870 -0.101 0.000 1.086 482 L CA 1.169 55.907 54.840 -0.169 0.000 0.778 482 L CB -0.893 41.047 42.059 -0.198 0.000 0.928 482 L HN 0.249 nan 8.230 nan 0.000 0.446 483 L N 0.073 121.231 121.223 -0.108 0.000 2.051 483 L HA -0.238 4.102 4.340 -0.001 0.000 0.214 483 L C 2.755 179.605 176.870 -0.032 0.000 1.076 483 L CA 1.819 56.623 54.840 -0.061 0.000 0.758 483 L CB -0.375 41.634 42.059 -0.084 0.000 0.890 483 L HN 0.491 nan 8.230 nan 0.000 0.433 484 E N -0.662 119.502 120.200 -0.060 0.000 2.158 484 E HA -0.089 4.261 4.350 -0.001 0.000 0.191 484 E C 1.903 178.478 176.600 -0.042 0.000 0.982 484 E CA 0.801 57.175 56.400 -0.043 0.000 0.823 484 E CB -0.048 29.616 29.700 -0.061 0.000 0.766 484 E HN 0.471 nan 8.360 nan 0.000 0.468 485 A N 1.433 124.217 122.820 -0.060 0.000 2.255 485 A HA -0.001 4.319 4.320 -0.001 0.000 0.206 485 A C 1.081 178.648 177.584 -0.029 0.000 1.193 485 A CA 0.028 52.033 52.037 -0.053 0.000 0.794 485 A CB -0.329 18.624 19.000 -0.078 0.000 0.794 485 A HN 0.088 nan 8.150 nan 0.000 0.481 486 I N 0.686 121.247 120.570 -0.015 0.000 3.060 486 I HA 0.111 4.281 4.170 -0.001 0.000 0.285 486 I C -1.618 174.502 176.117 0.004 0.000 1.190 486 I CA -1.075 60.226 61.300 0.002 0.000 1.363 486 I CB 0.899 38.907 38.000 0.012 0.000 1.396 486 I HN 0.185 nan 8.210 nan 0.000 0.607 487 P HA 0.375 nan 4.420 nan 0.000 0.344 487 P C -1.482 175.827 177.300 0.014 0.000 1.282 487 P CA -0.122 62.985 63.100 0.011 0.000 0.769 487 P CB 1.052 32.761 31.700 0.016 0.000 1.561 488 E N -1.538 118.670 120.200 0.014 0.000 2.412 488 E HA 0.688 5.037 4.350 -0.001 0.000 0.279 488 E C -1.467 175.143 176.600 0.017 0.000 0.984 488 E CA -1.056 55.354 56.400 0.016 0.000 0.788 488 E CB 1.045 30.753 29.700 0.014 0.000 1.277 488 E HN 0.082 nan 8.360 nan 0.000 0.455 489 K N 0.439 120.850 120.400 0.018 0.000 2.651 489 K HA 0.703 5.023 4.320 -0.001 0.000 0.259 489 K C -0.509 176.102 176.600 0.018 0.000 1.017 489 K CA 0.169 56.467 56.287 0.018 0.000 0.897 489 K CB 1.822 34.334 32.500 0.020 0.000 1.262 489 K HN 0.847 nan 8.250 nan 0.000 0.460 490 A N 0.000 122.830 122.820 0.016 0.000 2.254 490 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 490 A CA 0.000 52.047 52.037 0.017 0.000 0.836 490 A CB 0.000 19.008 19.000 0.014 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486