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 3o1w_1_A DATA FIRST_RESID 2 DATA SEQUENCE VRLGPKKPPA RKGSMADVPA NLMEQIHGLE TLFTVSSEKM RSIVKHFISE DATA SEQUENCE LDKGLSKKGG NIPMIPGWVV EYPTGKETGD FLALDLGGTN LRVVLVKLGG DATA SEQUENCE NHDFDTTQNK YRLPDHLRTG TSEQLWSFIA KCLKEFVDEW YPDGVSEPLP DATA SEQUENCE LGFTFSYPAS QKKINSGVLQ RWTKGFDIEG VEGHDVVPML QEQIEKLNIP DATA SEQUENCE INVVALINDT TGTLVASLYT DPQTKMGIII GTGVNGAYYD VVSGIEKLEG DATA SEQUENCE LLPEDIGPDS PMAINCEYGS FDNEHLVLPR TKYDVIIDEE SPRPGQQAFE DATA SEQUENCE KMTSGYYLGE IMRLVLLDLY DSGFIFKDQD ISKLKEAYVM DTSYPSKIED DATA SEQUENCE DPFENLEDTD DLFKTNLNIE TTVVERKLIR KLAELVGTRA ARLTVCGVSA DATA SEQUENCE ICDKRGYKTA HIAADGSVFN RYPGYKEKAA QALKDIYNWD VEKMEDHPIQ DATA SEQUENCE LVAAEDGSGV GAAIIACLTQ KRLAAGKSVG IKGE 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.104 176.094 0.017 0.000 1.182 2 V CA 0.000 62.307 62.300 0.011 0.000 1.235 2 V CB 0.000 31.828 31.823 0.008 0.000 1.184 3 R N 0.439 120.953 120.500 0.025 0.000 3.910 3 R HA -0.193 4.134 4.340 -0.023 0.000 0.415 3 R C 0.686 177.014 176.300 0.047 0.000 0.241 3 R CA 1.979 58.103 56.100 0.040 0.000 1.327 3 R CB -1.321 28.997 30.300 0.031 0.000 1.012 3 R HN 0.858 nan 8.270 nan 0.000 0.557 4 L N 1.391 122.638 121.223 0.040 0.000 2.685 4 L HA 0.269 4.595 4.340 -0.023 0.000 0.233 4 L C 1.090 177.961 176.870 0.001 0.000 1.173 4 L CA 0.401 55.255 54.840 0.024 0.000 0.961 4 L CB -0.429 41.627 42.059 -0.006 0.000 1.217 4 L HN 0.905 nan 8.230 nan 0.000 0.478 5 G N 1.922 110.724 108.800 0.003 0.000 2.846 5 G HA2 -0.211 3.735 3.960 -0.023 0.000 0.660 5 G HA3 -0.211 3.735 3.960 -0.023 0.000 0.660 5 G C -1.563 173.330 174.900 -0.011 0.000 1.464 5 G CA -0.278 44.820 45.100 -0.003 0.000 0.891 5 G HN 0.218 nan 8.290 nan 0.000 0.552 6 P HA 0.060 nan 4.420 nan 0.000 0.227 6 P C 0.620 177.907 177.300 -0.021 0.000 1.161 6 P CA 0.851 63.942 63.100 -0.015 0.000 0.788 6 P CB 0.237 31.930 31.700 -0.011 0.000 0.822 7 K N 1.287 121.674 120.400 -0.023 0.000 2.185 7 K HA 0.169 4.475 4.320 -0.023 0.000 0.271 7 K C 0.548 177.125 176.600 -0.038 0.000 1.013 7 K CA -0.624 55.646 56.287 -0.028 0.000 0.943 7 K CB 0.885 33.370 32.500 -0.024 0.000 0.998 7 K HN -0.112 nan 8.250 nan 0.000 0.468 8 K N 3.385 123.760 120.400 -0.042 0.000 2.504 8 K HA -0.019 4.287 4.320 -0.023 0.000 0.278 8 K C -2.185 174.378 176.600 -0.061 0.000 1.025 8 K CA -0.935 55.319 56.287 -0.054 0.000 1.093 8 K CB 0.116 32.586 32.500 -0.050 0.000 0.873 8 K HN 0.233 nan 8.250 nan 0.000 0.483 9 P HA 0.100 nan 4.420 nan 0.000 0.269 9 P C -2.388 174.862 177.300 -0.085 0.000 1.209 9 P CA -0.996 62.045 63.100 -0.097 0.000 0.776 9 P CB 0.080 31.686 31.700 -0.158 0.000 0.876 10 P HA 0.101 nan 4.420 nan 0.000 0.271 10 P C -0.648 176.612 177.300 -0.068 0.000 1.233 10 P CA -0.257 62.809 63.100 -0.057 0.000 0.789 10 P CB 0.387 32.062 31.700 -0.042 0.000 0.951 11 A N 2.534 125.324 122.820 -0.051 0.000 2.483 11 A HA 0.169 4.475 4.320 -0.023 0.000 0.238 11 A C 0.953 178.508 177.584 -0.049 0.000 1.070 11 A CA -0.388 51.618 52.037 -0.051 0.000 0.770 11 A CB -0.229 18.753 19.000 -0.031 0.000 1.008 11 A HN 0.649 nan 8.150 nan 0.000 0.497 12 R N 1.974 122.441 120.500 -0.056 0.000 2.784 12 R HA 0.158 4.484 4.340 -0.023 0.000 0.266 12 R C 0.155 176.445 176.300 -0.017 0.000 1.044 12 R CA -0.402 55.675 56.100 -0.038 0.000 1.151 12 R CB 0.457 30.737 30.300 -0.034 0.000 1.037 12 R HN 0.611 nan 8.270 nan 0.000 0.478 13 K N 1.168 121.564 120.400 -0.006 0.000 2.025 13 K HA -0.055 4.251 4.320 -0.023 0.000 0.207 13 K C 0.967 177.569 176.600 0.003 0.000 1.049 13 K CA 1.445 57.732 56.287 0.001 0.000 0.933 13 K CB -0.689 31.814 32.500 0.006 0.000 0.714 13 K HN 1.035 nan 8.250 nan 0.000 0.438 14 G N 2.449 111.252 108.800 0.004 0.000 2.324 14 G HA2 -0.245 3.701 3.960 -0.023 0.000 0.292 14 G HA3 -0.245 3.701 3.960 -0.023 0.000 0.292 14 G C 0.015 174.917 174.900 0.003 0.000 1.079 14 G CA 0.570 45.671 45.100 0.002 0.000 1.026 14 G HN 0.330 nan 8.290 nan 0.000 0.506 15 S N -0.247 115.456 115.700 0.005 0.000 2.549 15 S HA 0.516 4.973 4.470 -0.023 0.000 0.283 15 S C 1.504 176.103 174.600 -0.003 0.000 1.320 15 S CA -0.110 58.093 58.200 0.004 0.000 1.058 15 S CB 0.270 63.474 63.200 0.007 0.000 0.882 15 S HN 0.329 nan 8.310 nan 0.000 0.498 16 M N 4.342 123.940 119.600 -0.004 0.000 2.475 16 M HA 0.218 4.684 4.480 -0.023 0.000 0.283 16 M C 1.684 177.976 176.300 -0.013 0.000 1.165 16 M CA -0.021 55.267 55.300 -0.018 0.000 0.976 16 M CB -0.875 31.707 32.600 -0.031 0.000 1.428 16 M HN 0.814 nan 8.290 nan 0.000 0.495 17 A N 1.416 124.234 122.820 -0.002 0.000 1.972 17 A HA -0.158 4.149 4.320 -0.023 0.000 0.219 17 A C 1.514 179.097 177.584 -0.001 0.000 1.169 17 A CA 2.035 54.074 52.037 0.002 0.000 0.635 17 A CB -0.481 18.522 19.000 0.006 0.000 0.810 17 A HN 0.570 nan 8.150 nan 0.000 0.446 18 D N -0.830 119.567 120.400 -0.005 0.000 2.339 18 D HA 0.124 4.750 4.640 -0.023 0.000 0.217 18 D C 0.061 176.355 176.300 -0.010 0.000 1.050 18 D CA -0.104 53.894 54.000 -0.004 0.000 0.856 18 D CB -0.583 40.216 40.800 -0.002 0.000 0.922 18 D HN 0.112 nan 8.370 nan 0.000 0.518 19 V N 2.395 122.297 119.914 -0.019 0.000 2.455 19 V HA 0.205 4.311 4.120 -0.023 0.000 0.273 19 V C -1.882 174.198 176.094 -0.023 0.000 1.045 19 V CA -1.273 61.009 62.300 -0.030 0.000 0.976 19 V CB 0.786 32.574 31.823 -0.058 0.000 0.993 19 V HN 0.037 nan 8.190 nan 0.000 0.475 20 P HA 0.104 nan 4.420 nan 0.000 0.268 20 P C 0.740 178.037 177.300 -0.006 0.000 1.208 20 P CA 0.025 63.125 63.100 -0.001 0.000 0.777 20 P CB 0.682 32.390 31.700 0.013 0.000 0.875 21 A N 3.388 126.212 122.820 0.006 0.000 1.917 21 A HA -0.270 4.036 4.320 -0.023 0.000 0.219 21 A C 1.920 179.509 177.584 0.008 0.000 1.182 21 A CA 2.197 54.239 52.037 0.009 0.000 0.633 21 A CB -1.314 17.699 19.000 0.022 0.000 0.819 21 A HN 0.763 nan 8.150 nan 0.000 0.448 22 N N -0.067 118.652 118.700 0.033 0.000 2.216 22 N HA -0.107 4.619 4.740 -0.023 0.000 0.183 22 N C 1.549 177.057 175.510 -0.004 0.000 1.017 22 N CA 1.675 54.767 53.050 0.070 0.000 0.861 22 N CB -0.656 37.924 38.487 0.155 0.000 0.986 22 N HN 0.363 nan 8.380 nan 0.000 0.428 23 L N 0.175 121.386 121.223 -0.019 0.000 2.109 23 L HA 0.155 4.481 4.340 -0.023 0.000 0.207 23 L C 2.549 179.318 176.870 -0.169 0.000 1.086 23 L CA 1.061 55.836 54.840 -0.108 0.000 0.760 23 L CB -0.696 41.331 42.059 -0.054 0.000 0.910 23 L HN 0.087 nan 8.230 nan 0.000 0.437 24 M N -0.396 119.123 119.600 -0.135 0.000 2.159 24 M HA -0.208 4.258 4.480 -0.023 0.000 0.263 24 M C 2.162 178.331 176.300 -0.217 0.000 1.063 24 M CA 1.641 56.816 55.300 -0.208 0.000 1.110 24 M CB -0.420 32.088 32.600 -0.154 0.000 1.374 24 M HN 0.388 nan 8.290 nan 0.000 0.411 25 E N -0.775 119.365 120.200 -0.101 0.000 2.085 25 E HA -0.262 4.075 4.350 -0.023 0.000 0.194 25 E C 1.865 178.397 176.600 -0.114 0.000 0.994 25 E CA 1.403 57.774 56.400 -0.049 0.000 0.801 25 E CB 0.036 29.722 29.700 -0.024 0.000 0.743 25 E HN 0.546 nan 8.360 nan 0.000 0.453 26 Q N 0.099 119.749 119.800 -0.249 0.000 2.119 26 Q HA -0.120 4.206 4.340 -0.023 0.000 0.201 26 Q C 2.364 178.254 176.000 -0.183 0.000 0.972 26 Q CA 0.931 56.553 55.803 -0.302 0.000 0.847 26 Q CB -0.207 28.180 28.738 -0.586 0.000 0.903 26 Q HN 0.467 nan 8.270 nan 0.000 0.433 27 I N 0.473 120.922 120.570 -0.202 0.000 2.142 27 I HA -0.292 3.864 4.170 -0.023 0.000 0.240 27 I C 2.305 178.363 176.117 -0.097 0.000 1.078 27 I CA 1.218 62.414 61.300 -0.173 0.000 1.343 27 I CB -0.438 37.420 38.000 -0.238 0.000 1.046 27 I HN 0.237 nan 8.210 nan 0.000 0.405 28 H N 0.571 119.619 119.070 -0.037 0.000 2.387 28 H HA -0.068 4.474 4.556 -0.023 0.000 0.299 28 H C 2.332 177.657 175.328 -0.005 0.000 1.090 28 H CA 1.404 57.443 56.048 -0.016 0.000 1.332 28 H CB -0.770 28.981 29.762 -0.018 0.000 1.386 28 H HN 0.377 nan 8.280 nan 0.000 0.516 29 G N 0.845 109.698 108.800 0.088 0.000 2.421 29 G HA2 -0.198 3.748 3.960 -0.023 0.000 0.216 29 G HA3 -0.198 3.748 3.960 -0.023 0.000 0.216 29 G C 1.956 176.907 174.900 0.084 0.000 1.171 29 G CA 0.650 45.783 45.100 0.055 0.000 0.775 29 G HN 0.294 nan 8.290 nan 0.000 0.543 30 L N 0.143 121.425 121.223 0.097 0.000 2.042 30 L HA -0.103 4.223 4.340 -0.023 0.000 0.210 30 L C 2.938 179.960 176.870 0.254 0.000 1.076 30 L CA 1.456 56.424 54.840 0.213 0.000 0.749 30 L CB -0.446 41.698 42.059 0.141 0.000 0.893 30 L HN 0.312 nan 8.230 nan 0.000 0.432 31 E N -0.605 119.689 120.200 0.158 0.000 2.077 31 E HA -0.196 4.140 4.350 -0.023 0.000 0.193 31 E C 2.103 178.784 176.600 0.135 0.000 0.989 31 E CA 1.813 58.304 56.400 0.152 0.000 0.800 31 E CB -0.161 29.624 29.700 0.142 0.000 0.746 31 E HN 0.456 nan 8.360 nan 0.000 0.452 32 T N 1.485 116.100 114.554 0.102 0.000 2.746 32 T HA -0.137 4.199 4.350 -0.023 0.000 0.267 32 T C 1.836 176.556 174.700 0.034 0.000 1.039 32 T CA 0.769 62.901 62.100 0.054 0.000 1.142 32 T CB -0.204 68.683 68.868 0.032 0.000 0.866 32 T HN 0.024 nan 8.240 nan 0.000 0.444 33 L N -0.049 121.192 121.223 0.031 0.000 2.093 33 L HA 0.116 4.442 4.340 -0.023 0.000 0.208 33 L C 1.385 178.120 176.870 -0.225 0.000 1.085 33 L CA 1.721 56.495 54.840 -0.110 0.000 0.755 33 L CB -0.410 41.566 42.059 -0.137 0.000 0.904 33 L HN 0.203 nan 8.230 nan 0.000 0.435 34 F N -1.727 118.248 119.950 0.041 0.000 2.704 34 F HA 0.212 4.725 4.527 -0.023 0.000 0.304 34 F C 1.021 176.840 175.800 0.031 0.000 1.094 34 F CA -0.269 57.755 58.000 0.040 0.000 1.275 34 F CB -0.219 38.803 39.000 0.037 0.000 1.073 34 F HN -0.235 nan 8.300 nan 0.000 0.586 35 T N 1.812 116.462 114.554 0.161 0.000 2.851 35 T HA 0.337 4.673 4.350 -0.023 0.000 0.298 35 T C -0.019 174.720 174.700 0.066 0.000 0.977 35 T CA -0.111 62.052 62.100 0.105 0.000 1.126 35 T CB 1.362 70.274 68.868 0.074 0.000 0.916 35 T HN -0.292 nan 8.240 nan 0.000 0.529 36 V N 4.519 124.469 119.914 0.059 0.000 2.318 36 V HA 0.308 4.414 4.120 -0.023 0.000 0.271 36 V C 0.776 176.879 176.094 0.016 0.000 1.030 36 V CA -1.015 61.308 62.300 0.038 0.000 0.844 36 V CB 0.678 32.532 31.823 0.050 0.000 1.015 36 V HN 1.085 nan 8.190 nan 0.000 0.460 37 S N 3.715 119.418 115.700 0.005 0.000 2.576 37 S HA 0.091 4.547 4.470 -0.023 0.000 0.272 37 S C 1.380 175.962 174.600 -0.030 0.000 1.352 37 S CA 0.194 58.388 58.200 -0.011 0.000 1.021 37 S CB 1.024 64.216 63.200 -0.013 0.000 0.887 37 S HN 0.636 nan 8.310 nan 0.000 0.542 38 S N 0.836 116.507 115.700 -0.049 0.000 2.370 38 S HA -0.178 4.278 4.470 -0.023 0.000 0.226 38 S C 1.787 176.336 174.600 -0.085 0.000 1.033 38 S CA 1.442 59.592 58.200 -0.084 0.000 1.011 38 S CB -0.669 62.473 63.200 -0.096 0.000 0.852 38 S HN 0.909 nan 8.310 nan 0.000 0.457 39 E N 1.203 121.367 120.200 -0.059 0.000 2.051 39 E HA -0.260 4.077 4.350 -0.023 0.000 0.192 39 E C 2.011 178.590 176.600 -0.036 0.000 0.991 39 E CA 1.358 57.728 56.400 -0.051 0.000 0.799 39 E CB -0.091 29.588 29.700 -0.035 0.000 0.748 39 E HN 0.226 nan 8.360 nan 0.000 0.449 40 K N 0.566 120.954 120.400 -0.019 0.000 2.097 40 K HA -0.100 4.206 4.320 -0.023 0.000 0.205 40 K C 2.068 178.673 176.600 0.007 0.000 1.050 40 K CA 1.649 57.939 56.287 0.005 0.000 0.938 40 K CB -0.230 32.277 32.500 0.013 0.000 0.718 40 K HN 0.196 nan 8.250 nan 0.000 0.442 41 M N -0.004 119.582 119.600 -0.023 0.000 2.108 41 M HA -0.186 4.280 4.480 -0.023 0.000 0.261 41 M C 2.222 178.478 176.300 -0.073 0.000 1.066 41 M CA 1.817 57.092 55.300 -0.040 0.000 1.107 41 M CB -0.348 32.198 32.600 -0.090 0.000 1.356 41 M HN 0.078 nan 8.290 nan 0.000 0.406 42 R N 0.256 120.693 120.500 -0.106 0.000 2.081 42 R HA -0.123 4.203 4.340 -0.023 0.000 0.235 42 R C 2.592 178.842 176.300 -0.082 0.000 1.131 42 R CA 1.960 57.980 56.100 -0.133 0.000 0.960 42 R CB -0.588 29.628 30.300 -0.140 0.000 0.856 42 R HN 0.518 nan 8.270 nan 0.000 0.436 43 S N 0.808 116.491 115.700 -0.029 0.000 2.383 43 S HA -0.101 4.356 4.470 -0.023 0.000 0.227 43 S C 2.070 176.737 174.600 0.112 0.000 1.026 43 S CA 0.869 59.077 58.200 0.014 0.000 0.981 43 S CB -0.446 62.799 63.200 0.076 0.000 0.818 43 S HN 0.206 nan 8.310 nan 0.000 0.472 44 I N 1.506 122.165 120.570 0.148 0.000 2.163 44 I HA -0.152 4.004 4.170 -0.023 0.000 0.243 44 I C 2.521 178.735 176.117 0.161 0.000 1.085 44 I CA 1.154 62.602 61.300 0.247 0.000 1.347 44 I CB -0.592 37.542 38.000 0.223 0.000 1.044 44 I HN 0.202 nan 8.210 nan 0.000 0.408 45 V N 0.984 120.904 119.914 0.011 0.000 2.332 45 V HA -0.326 3.780 4.120 -0.023 0.000 0.248 45 V C 2.433 178.474 176.094 -0.089 0.000 1.055 45 V CA 1.957 64.204 62.300 -0.088 0.000 1.038 45 V CB -0.715 31.007 31.823 -0.168 0.000 0.651 45 V HN 0.415 nan 8.190 nan 0.000 0.450 46 K N -0.808 119.514 120.400 -0.130 0.000 2.063 46 K HA -0.198 4.108 4.320 -0.023 0.000 0.208 46 K C 2.068 178.540 176.600 -0.214 0.000 1.048 46 K CA 1.984 58.148 56.287 -0.206 0.000 0.928 46 K CB -0.342 31.981 32.500 -0.294 0.000 0.713 46 K HN 0.612 nan 8.250 nan 0.000 0.442 47 H N -0.781 118.323 119.070 0.057 0.000 2.389 47 H HA -0.071 4.471 4.556 -0.024 0.000 0.299 47 H C 1.783 177.178 175.328 0.112 0.000 1.081 47 H CA 1.575 57.690 56.048 0.112 0.000 1.345 47 H CB -0.107 29.764 29.762 0.183 0.000 1.393 47 H HN 0.136 nan 8.280 nan 0.000 0.520 48 F N 0.603 120.467 119.950 -0.143 0.000 2.134 48 F HA -0.205 4.308 4.527 -0.024 0.000 0.299 48 F C 2.032 177.625 175.800 -0.345 0.000 1.097 48 F CA 0.971 58.579 58.000 -0.653 0.000 1.264 48 F CB -0.051 38.373 39.000 -0.960 0.000 1.001 48 F HN 0.061 nan 8.300 nan 0.000 0.479 49 I N -0.995 119.587 120.570 0.019 0.000 2.226 49 I HA -0.346 3.811 4.170 -0.023 0.000 0.245 49 I C 2.643 178.767 176.117 0.012 0.000 1.100 49 I CA 1.444 62.730 61.300 -0.023 0.000 1.374 49 I CB -0.655 37.301 38.000 -0.074 0.000 1.057 49 I HN 0.107 nan 8.210 nan 0.000 0.413 50 S N 0.233 115.947 115.700 0.023 0.000 2.383 50 S HA -0.193 4.263 4.470 -0.023 0.000 0.229 50 S C 1.986 176.625 174.600 0.064 0.000 1.030 50 S CA 1.403 59.627 58.200 0.041 0.000 1.002 50 S CB -0.161 63.077 63.200 0.063 0.000 0.829 50 S HN 0.354 nan 8.310 nan 0.000 0.467 51 E N 0.918 121.170 120.200 0.088 0.000 2.107 51 E HA 0.013 4.349 4.350 -0.023 0.000 0.191 51 E C 2.159 178.808 176.600 0.081 0.000 0.982 51 E CA 0.567 57.022 56.400 0.091 0.000 0.809 51 E CB -0.402 29.387 29.700 0.148 0.000 0.756 51 E HN 0.521 nan 8.360 nan 0.000 0.459 52 L N 1.204 122.483 121.223 0.093 0.000 2.012 52 L HA -0.225 4.101 4.340 -0.023 0.000 0.210 52 L C 2.121 179.042 176.870 0.085 0.000 1.073 52 L CA 1.252 56.160 54.840 0.113 0.000 0.748 52 L CB -0.405 41.705 42.059 0.084 0.000 0.891 52 L HN 0.001 nan 8.230 nan 0.000 0.431 53 D N -0.007 120.427 120.400 0.057 0.000 2.097 53 D HA -0.196 4.431 4.640 -0.023 0.000 0.195 53 D C 2.132 178.459 176.300 0.044 0.000 0.989 53 D CA 1.123 55.150 54.000 0.045 0.000 0.827 53 D CB -0.071 40.746 40.800 0.028 0.000 0.966 53 D HN 0.170 nan 8.370 nan 0.000 0.456 54 K N 0.290 120.717 120.400 0.045 0.000 2.063 54 K HA -0.125 4.181 4.320 -0.023 0.000 0.208 54 K C 2.069 178.692 176.600 0.039 0.000 1.048 54 K CA 1.544 57.854 56.287 0.039 0.000 0.928 54 K CB -0.348 32.176 32.500 0.040 0.000 0.713 54 K HN 0.143 nan 8.250 nan 0.000 0.442 55 G N 0.752 109.584 108.800 0.052 0.000 2.448 55 G HA2 -0.184 3.762 3.960 -0.023 0.000 0.219 55 G HA3 -0.184 3.762 3.960 -0.023 0.000 0.219 55 G C 1.335 176.258 174.900 0.039 0.000 1.127 55 G CA 0.502 45.633 45.100 0.051 0.000 0.766 55 G HN 0.233 nan 8.290 nan 0.000 0.552 56 L N 1.447 122.694 121.223 0.040 0.000 2.509 56 L HA 0.153 4.479 4.340 -0.023 0.000 0.222 56 L C 1.798 178.678 176.870 0.016 0.000 1.123 56 L CA 0.021 54.874 54.840 0.023 0.000 0.856 56 L CB -0.133 41.945 42.059 0.031 0.000 0.985 56 L HN 0.264 nan 8.230 nan 0.000 0.456 57 S N -0.584 115.129 115.700 0.021 0.000 2.593 57 S HA 0.063 4.519 4.470 -0.023 0.000 0.269 57 S C 1.077 175.686 174.600 0.014 0.000 1.334 57 S CA -0.527 57.683 58.200 0.017 0.000 1.015 57 S CB 1.074 64.285 63.200 0.018 0.000 0.912 57 S HN 0.119 nan 8.310 nan 0.000 0.541 58 K N 1.209 121.617 120.400 0.013 0.000 2.103 58 K HA -0.121 4.185 4.320 -0.023 0.000 0.207 58 K C 2.115 178.723 176.600 0.012 0.000 1.048 58 K CA 1.588 57.883 56.287 0.013 0.000 0.930 58 K CB -0.244 32.264 32.500 0.013 0.000 0.716 58 K HN 0.614 nan 8.250 nan 0.000 0.444 59 K N 0.232 120.639 120.400 0.011 0.000 2.097 59 K HA -0.063 4.243 4.320 -0.023 0.000 0.206 59 K C 1.043 177.649 176.600 0.010 0.000 1.049 59 K CA 0.712 57.005 56.287 0.009 0.000 0.933 59 K CB -0.233 32.272 32.500 0.008 0.000 0.717 59 K HN 0.339 nan 8.250 nan 0.000 0.442 60 G N 0.125 108.934 108.800 0.014 0.000 2.855 60 G HA2 -0.021 3.925 3.960 -0.023 0.000 0.352 60 G HA3 -0.021 3.925 3.960 -0.023 0.000 0.352 60 G C -0.076 174.833 174.900 0.016 0.000 1.415 60 G CA -0.634 44.476 45.100 0.016 0.000 0.871 60 G HN 0.571 nan 8.290 nan 0.000 0.543 61 G N -1.878 106.934 108.800 0.019 0.000 2.619 61 G HA2 0.588 4.534 3.960 -0.023 0.000 0.305 61 G HA3 0.588 4.534 3.960 -0.023 0.000 0.305 61 G C 0.529 175.438 174.900 0.015 0.000 1.330 61 G CA 0.600 45.709 45.100 0.015 0.000 0.789 61 G HN 0.790 nan 8.290 nan 0.000 0.487 62 N N -0.669 118.034 118.700 0.004 0.000 2.272 62 N HA -0.043 4.683 4.740 -0.023 0.000 0.185 62 N C 0.892 176.428 175.510 0.043 0.000 1.014 62 N CA 0.766 53.818 53.050 0.004 0.000 0.870 62 N CB -0.040 38.423 38.487 -0.038 0.000 0.975 62 N HN 0.396 nan 8.380 nan 0.000 0.433 63 I N 1.988 122.599 120.570 0.068 0.000 2.352 63 I HA 0.083 4.239 4.170 -0.023 0.000 0.290 63 I C -1.350 174.819 176.117 0.087 0.000 1.036 63 I CA -1.703 59.664 61.300 0.112 0.000 1.336 63 I CB 1.605 39.691 38.000 0.143 0.000 1.407 63 I HN -0.192 nan 8.210 nan 0.000 0.497 64 P HA -0.126 nan 4.420 nan 0.000 0.215 64 P C 0.415 177.738 177.300 0.039 0.000 1.153 64 P CA 1.047 64.177 63.100 0.049 0.000 0.853 64 P CB 0.069 31.793 31.700 0.040 0.000 0.788 65 M N -2.252 117.380 119.600 0.053 0.000 2.573 65 M HA -0.171 4.295 4.480 -0.023 0.000 0.184 65 M C -0.639 175.642 176.300 -0.032 0.000 0.953 65 M CA 0.634 55.957 55.300 0.038 0.000 0.592 65 M CB -2.654 29.983 32.600 0.062 0.000 1.151 65 M HN 0.024 nan 8.290 nan 0.000 0.850 66 I N 2.224 122.759 120.570 -0.057 0.000 2.352 66 I HA 0.232 4.389 4.170 -0.023 0.000 0.290 66 I C -1.639 174.361 176.117 -0.195 0.000 1.036 66 I CA -1.764 59.481 61.300 -0.091 0.000 1.336 66 I CB 0.991 38.961 38.000 -0.051 0.000 1.407 66 I HN 0.117 nan 8.210 nan 0.000 0.497 67 P HA 0.039 nan 4.420 nan 0.000 0.267 67 P C 0.755 177.696 177.300 -0.599 0.000 1.205 67 P CA 0.158 62.920 63.100 -0.563 0.000 0.765 67 P CB 0.879 32.018 31.700 -0.934 0.000 0.828 68 G N 1.624 110.123 108.800 -0.501 0.000 2.939 68 G HA2 -0.041 3.905 3.960 -0.023 0.000 0.210 68 G HA3 -0.041 3.905 3.960 -0.023 0.000 0.210 68 G C -0.163 174.675 174.900 -0.103 0.000 1.160 68 G CA -0.260 44.686 45.100 -0.256 0.000 0.770 68 G HN 0.625 nan 8.290 nan 0.000 0.543 69 W N -1.220 120.036 121.300 -0.072 0.000 3.834 69 W HA -0.203 4.447 4.660 -0.016 0.000 0.320 69 W C -0.260 176.233 176.519 -0.043 0.000 1.201 69 W CA -0.280 57.035 57.345 -0.050 0.000 0.701 69 W CB -2.147 27.288 29.460 -0.042 0.000 2.264 69 W HN 0.041 nan 8.180 nan 0.000 1.413 70 V N 1.622 121.558 119.914 0.037 0.000 2.350 70 V HA 0.359 4.465 4.120 -0.023 0.000 0.276 70 V C 0.770 176.912 176.094 0.080 0.000 1.028 70 V CA -0.046 62.290 62.300 0.060 0.000 0.860 70 V CB 1.253 33.085 31.823 0.015 0.000 0.990 70 V HN 0.041 nan 8.190 nan 0.000 0.453 71 V N 1.707 121.667 119.914 0.077 0.000 3.070 71 V HA 0.523 4.629 4.120 -0.023 0.000 0.345 71 V C 0.105 176.150 176.094 -0.081 0.000 1.403 71 V CA -0.074 62.239 62.300 0.023 0.000 1.155 71 V CB -0.477 31.372 31.823 0.044 0.000 1.140 71 V HN 0.944 nan 8.190 nan 0.000 0.505 72 E N -0.401 119.746 120.200 -0.087 0.000 2.412 72 E HA 0.482 4.819 4.350 -0.023 0.000 0.279 72 E C -1.964 174.476 176.600 -0.268 0.000 0.984 72 E CA -1.023 55.217 56.400 -0.267 0.000 0.788 72 E CB 1.390 31.026 29.700 -0.108 0.000 1.277 72 E HN 0.146 nan 8.360 nan 0.000 0.455 73 Y N 0.924 121.121 120.300 -0.172 0.000 2.308 73 Y HA 0.335 4.873 4.550 -0.021 0.000 0.329 73 Y C -1.909 173.981 175.900 -0.018 0.000 1.111 73 Y CA -2.582 55.400 58.100 -0.197 0.000 1.179 73 Y CB 0.269 38.557 38.460 -0.287 0.000 1.201 73 Y HN 0.312 nan 8.280 nan 0.000 0.483 74 P HA 0.027 nan 4.420 nan 0.000 0.271 74 P C 0.569 177.973 177.300 0.173 0.000 1.216 74 P CA -0.067 63.159 63.100 0.210 0.000 0.771 74 P CB 1.134 33.014 31.700 0.300 0.000 0.864 75 T N -1.661 112.962 114.554 0.116 0.000 3.065 75 T HA 0.224 4.560 4.350 -0.023 0.000 0.252 75 T C 1.409 176.025 174.700 -0.139 0.000 1.099 75 T CA 0.744 62.865 62.100 0.036 0.000 1.063 75 T CB -0.708 68.172 68.868 0.020 0.000 0.948 75 T HN 0.637 nan 8.240 nan 0.000 0.506 76 G N 1.894 110.537 108.800 -0.262 0.000 2.205 76 G HA2 -0.263 3.683 3.960 -0.023 0.000 0.261 76 G HA3 -0.263 3.683 3.960 -0.023 0.000 0.261 76 G C 0.900 175.490 174.900 -0.516 0.000 0.980 76 G CA 0.362 44.892 45.100 -0.950 0.000 0.632 76 G HN 0.524 nan 8.290 nan 0.000 0.533 77 K N 0.616 120.910 120.400 -0.177 0.000 2.374 77 K HA 0.198 4.504 4.320 -0.023 0.000 0.196 77 K C 0.546 177.194 176.600 0.079 0.000 1.023 77 K CA 0.095 56.355 56.287 -0.046 0.000 1.103 77 K CB 0.530 33.011 32.500 -0.031 0.000 0.848 77 K HN 0.541 nan 8.250 nan 0.000 0.528 78 E N 1.862 122.166 120.200 0.174 0.000 2.392 78 E HA 0.019 4.355 4.350 -0.023 0.000 0.264 78 E C 0.209 176.936 176.600 0.212 0.000 1.024 78 E CA 0.316 56.818 56.400 0.170 0.000 0.903 78 E CB 0.685 30.457 29.700 0.120 0.000 0.963 78 E HN 0.163 nan 8.360 nan 0.000 0.432 79 T N -0.530 114.150 114.554 0.211 0.000 2.906 79 T HA 0.852 5.188 4.350 -0.023 0.000 0.295 79 T C 0.230 175.134 174.700 0.340 0.000 1.075 79 T CA -0.357 61.883 62.100 0.233 0.000 1.005 79 T CB 1.974 70.933 68.868 0.153 0.000 1.136 79 T HN 0.780 nan 8.240 nan 0.000 0.498 80 G N 0.851 109.805 108.800 0.256 0.000 2.353 80 G HA2 0.284 4.230 3.960 -0.023 0.000 0.615 80 G HA3 0.284 4.230 3.960 -0.023 0.000 0.615 80 G C -2.176 172.620 174.900 -0.174 0.000 1.280 80 G CA -0.862 44.262 45.100 0.039 0.000 1.000 80 G HN 0.871 nan 8.290 nan 0.000 0.516 81 D N 0.099 120.134 120.400 -0.609 0.000 2.256 81 D HA 0.751 5.377 4.640 -0.023 0.000 0.240 81 D C -0.564 175.161 176.300 -0.958 0.000 1.062 81 D CA 0.315 54.043 54.000 -0.453 0.000 0.832 81 D CB 1.083 41.788 40.800 -0.158 0.000 1.135 81 D HN 0.317 nan 8.370 nan 0.000 0.484 82 F N 0.658 120.639 119.950 0.052 0.000 2.601 82 F HA 0.470 4.984 4.527 -0.023 0.000 0.309 82 F C -0.237 175.581 175.800 0.029 0.000 1.089 82 F CA -0.942 57.069 58.000 0.019 0.000 0.940 82 F CB 1.380 40.369 39.000 -0.017 0.000 1.273 82 F HN -0.030 nan 8.300 nan 0.000 0.450 83 L N 1.946 123.275 121.223 0.177 0.000 2.334 83 L HA 0.921 5.247 4.340 -0.023 0.000 0.272 83 L C -0.392 176.520 176.870 0.070 0.000 1.020 83 L CA -0.921 53.976 54.840 0.096 0.000 0.812 83 L CB 1.878 43.971 42.059 0.058 0.000 1.264 83 L HN 0.799 nan 8.230 nan 0.000 0.439 84 A N 2.343 125.173 122.820 0.017 0.000 2.401 84 A HA 0.811 5.117 4.320 -0.023 0.000 0.310 84 A C -1.633 175.955 177.584 0.007 0.000 1.075 84 A CA -0.457 51.599 52.037 0.031 0.000 0.746 84 A CB 1.876 20.889 19.000 0.022 0.000 1.277 84 A HN 0.490 nan 8.150 nan 0.000 0.425 85 L N 1.173 122.442 121.223 0.076 0.000 2.385 85 L HA 0.719 5.045 4.340 -0.023 0.000 0.273 85 L C -1.424 175.613 176.870 0.278 0.000 0.990 85 L CA -0.179 54.718 54.840 0.093 0.000 0.821 85 L CB 1.958 43.975 42.059 -0.069 0.000 1.279 85 L HN 0.668 nan 8.230 nan 0.000 0.412 86 D N 4.235 124.784 120.400 0.247 0.000 2.440 86 D HA 0.301 4.927 4.640 -0.023 0.000 0.239 86 D C -1.465 175.051 176.300 0.361 0.000 1.084 86 D CA -0.250 53.931 54.000 0.302 0.000 0.843 86 D CB 1.427 42.334 40.800 0.178 0.000 1.097 86 D HN 0.490 nan 8.370 nan 0.000 0.531 87 L N 4.495 126.032 121.223 0.524 0.000 2.255 87 L HA 0.718 5.044 4.340 -0.023 0.000 0.289 87 L C 0.305 177.460 176.870 0.475 0.000 1.046 87 L CA -0.046 55.125 54.840 0.551 0.000 0.816 87 L CB 0.944 43.471 42.059 0.780 0.000 1.197 87 L HN 0.409 nan 8.230 nan 0.000 0.427 88 G N 2.494 111.517 108.800 0.371 0.000 2.642 88 G HA2 0.445 4.392 3.960 -0.023 0.000 0.291 88 G HA3 0.445 4.392 3.960 -0.023 0.000 0.291 88 G C 0.589 175.732 174.900 0.405 0.000 1.345 88 G CA -0.241 45.044 45.100 0.307 0.000 1.043 88 G HN 0.734 nan 8.290 nan 0.000 0.528 89 G N -1.908 107.037 108.800 0.242 0.000 2.623 89 G HA2 0.153 4.099 3.960 -0.023 0.000 0.214 89 G HA3 0.153 4.099 3.960 -0.023 0.000 0.214 89 G C 1.361 176.179 174.900 -0.137 0.000 1.138 89 G CA 1.832 46.961 45.100 0.047 0.000 0.794 89 G HN 0.946 nan 8.290 nan 0.000 0.535 90 T N -3.739 110.801 114.554 -0.024 0.000 2.959 90 T HA 0.262 4.598 4.350 -0.023 0.000 0.254 90 T C 0.539 175.247 174.700 0.013 0.000 1.003 90 T CA -0.300 61.768 62.100 -0.053 0.000 0.950 90 T CB 0.535 69.381 68.868 -0.036 0.000 1.090 90 T HN 0.071 nan 8.240 nan 0.000 0.503 91 N N 0.388 119.144 118.700 0.094 0.000 2.591 91 N HA 0.507 5.233 4.740 -0.023 0.000 0.263 91 N C -2.263 173.388 175.510 0.236 0.000 1.308 91 N CA -0.643 52.502 53.050 0.159 0.000 0.837 91 N CB 2.566 41.128 38.487 0.125 0.000 1.548 91 N HN 0.114 nan 8.380 nan 0.000 0.493 92 L N 0.834 122.238 121.223 0.302 0.000 2.307 92 L HA 0.525 4.851 4.340 -0.023 0.000 0.284 92 L C -0.141 176.885 176.870 0.260 0.000 1.023 92 L CA -0.399 54.629 54.840 0.314 0.000 0.810 92 L CB 1.130 43.407 42.059 0.362 0.000 1.231 92 L HN 0.542 nan 8.230 nan 0.000 0.423 93 R N 3.704 124.318 120.500 0.190 0.000 2.445 93 R HA 0.761 5.087 4.340 -0.023 0.000 0.308 93 R C -1.765 174.569 176.300 0.057 0.000 0.961 93 R CA -0.635 55.532 56.100 0.111 0.000 0.862 93 R CB 1.558 31.903 30.300 0.074 0.000 1.144 93 R HN 0.557 nan 8.270 nan 0.000 0.447 94 V N 5.209 125.104 119.914 -0.032 0.000 2.417 94 V HA 0.467 4.573 4.120 -0.023 0.000 0.291 94 V C -0.672 175.176 176.094 -0.409 0.000 1.024 94 V CA -0.689 61.455 62.300 -0.260 0.000 0.861 94 V CB 1.791 33.376 31.823 -0.398 0.000 0.985 94 V HN 0.524 nan 8.190 nan 0.000 0.436 95 V N 5.547 125.271 119.914 -0.317 0.000 2.577 95 V HA 0.440 4.547 4.120 -0.023 0.000 0.303 95 V C -0.622 175.414 176.094 -0.097 0.000 1.042 95 V CA -0.658 61.531 62.300 -0.185 0.000 0.872 95 V CB 2.117 33.899 31.823 -0.068 0.000 0.998 95 V HN 0.642 nan 8.190 nan 0.000 0.423 96 L N 6.228 127.477 121.223 0.045 0.000 2.264 96 L HA 0.648 4.974 4.340 -0.023 0.000 0.289 96 L C -0.704 176.229 176.870 0.105 0.000 1.044 96 L CA -0.004 54.938 54.840 0.169 0.000 0.807 96 L CB 1.530 43.792 42.059 0.338 0.000 1.192 96 L HN 0.513 nan 8.230 nan 0.000 0.425 97 V N 6.260 126.246 119.914 0.119 0.000 2.378 97 V HA 0.398 4.505 4.120 -0.023 0.000 0.288 97 V C 0.032 176.234 176.094 0.179 0.000 1.016 97 V CA -0.847 61.525 62.300 0.120 0.000 0.840 97 V CB 1.716 33.567 31.823 0.047 0.000 0.994 97 V HN 0.650 nan 8.190 nan 0.000 0.431 98 K N 5.880 126.387 120.400 0.179 0.000 2.240 98 K HA 0.604 4.910 4.320 -0.023 0.000 0.271 98 K C -0.998 175.744 176.600 0.237 0.000 1.018 98 K CA -0.475 55.921 56.287 0.182 0.000 0.874 98 K CB 1.763 34.341 32.500 0.131 0.000 1.098 98 K HN 0.513 nan 8.250 nan 0.000 0.458 99 L N 1.807 123.185 121.223 0.258 0.000 2.276 99 L HA 0.228 4.554 4.340 -0.023 0.000 0.286 99 L C 1.395 178.420 176.870 0.259 0.000 1.061 99 L CA -0.225 54.774 54.840 0.265 0.000 0.807 99 L CB 1.264 43.440 42.059 0.194 0.000 1.177 99 L HN 0.918 nan 8.230 nan 0.000 0.429 100 G N 0.861 109.831 108.800 0.283 0.000 2.880 100 G HA2 0.259 4.205 3.960 -0.023 0.000 0.209 100 G HA3 0.259 4.205 3.960 -0.023 0.000 0.209 100 G C 1.086 176.080 174.900 0.156 0.000 1.157 100 G CA 0.492 45.705 45.100 0.188 0.000 0.779 100 G HN 0.973 nan 8.290 nan 0.000 0.539 101 G N -0.034 108.884 108.800 0.197 0.000 2.179 101 G HA2 -0.302 3.645 3.960 -0.023 0.000 0.260 101 G HA3 -0.302 3.645 3.960 -0.023 0.000 0.260 101 G C 0.358 175.253 174.900 -0.009 0.000 0.977 101 G CA 0.527 45.686 45.100 0.097 0.000 0.641 101 G HN 0.742 nan 8.290 nan 0.000 0.533 102 N N 0.038 118.728 118.700 -0.017 0.000 2.672 102 N HA 0.278 5.004 4.740 -0.023 0.000 0.295 102 N C 0.697 176.175 175.510 -0.053 0.000 1.924 102 N CA -0.154 52.859 53.050 -0.062 0.000 0.851 102 N CB -0.293 38.208 38.487 0.023 0.000 1.281 102 N HN 0.343 nan 8.380 nan 0.000 0.494 103 H N -0.562 118.342 119.070 -0.278 0.000 2.820 103 H HA -0.180 4.362 4.556 -0.023 0.000 0.295 103 H C -0.976 174.245 175.328 -0.179 0.000 1.187 103 H CA 1.650 57.367 56.048 -0.551 0.000 1.144 103 H CB -1.460 28.112 29.762 -0.317 0.000 1.354 103 H HN 0.710 nan 8.280 nan 0.000 0.395 104 D N -0.337 120.168 120.400 0.174 0.000 2.581 104 D HA 0.628 5.254 4.640 -0.023 0.000 0.232 104 D C 0.114 176.639 176.300 0.375 0.000 1.143 104 D CA -0.828 53.281 54.000 0.181 0.000 0.881 104 D CB 1.682 42.510 40.800 0.047 0.000 1.500 104 D HN 0.082 nan 8.370 nan 0.000 0.458 105 F N -1.650 118.437 119.950 0.229 0.000 2.741 105 F HA 0.692 5.206 4.527 -0.021 0.000 0.313 105 F C -1.764 174.098 175.800 0.104 0.000 1.153 105 F CA -1.142 56.955 58.000 0.162 0.000 0.931 105 F CB 1.678 40.750 39.000 0.120 0.000 1.335 105 F HN 0.312 nan 8.300 nan 0.000 0.460 106 D N 0.221 120.823 120.400 0.336 0.000 2.738 106 D HA 0.650 5.276 4.640 -0.023 0.000 0.237 106 D C -1.266 175.181 176.300 0.246 0.000 1.123 106 D CA -0.139 53.983 54.000 0.204 0.000 0.856 106 D CB 2.415 43.276 40.800 0.100 0.000 1.552 106 D HN 0.951 nan 8.370 nan 0.000 0.480 107 T N -0.312 114.354 114.554 0.187 0.000 2.908 107 T HA 0.768 5.105 4.350 -0.023 0.000 0.290 107 T C -0.616 174.083 174.700 -0.002 0.000 1.034 107 T CA -0.739 61.430 62.100 0.115 0.000 1.010 107 T CB 1.773 70.722 68.868 0.135 0.000 1.068 107 T HN 0.237 nan 8.240 nan 0.000 0.481 108 T N 2.718 117.239 114.554 -0.055 0.000 2.937 108 T HA 0.583 4.919 4.350 -0.023 0.000 0.297 108 T C -0.993 173.692 174.700 -0.025 0.000 0.991 108 T CA -0.861 61.125 62.100 -0.190 0.000 0.990 108 T CB 1.334 69.871 68.868 -0.551 0.000 0.991 108 T HN 0.880 nan 8.240 nan 0.000 0.440 109 Q N 2.554 122.356 119.800 0.004 0.000 2.416 109 Q HA 0.700 5.027 4.340 -0.023 0.000 0.281 109 Q C -1.582 174.473 176.000 0.092 0.000 1.067 109 Q CA -1.192 54.634 55.803 0.039 0.000 0.809 109 Q CB 1.869 30.601 28.738 -0.011 0.000 1.418 109 Q HN 0.287 nan 8.270 nan 0.000 0.411 110 N N 0.788 119.519 118.700 0.051 0.000 2.328 110 N HA 0.482 5.208 4.740 -0.023 0.000 0.299 110 N C -1.743 173.664 175.510 -0.171 0.000 1.179 110 N CA -0.760 52.266 53.050 -0.041 0.000 0.793 110 N CB 2.290 40.784 38.487 0.011 0.000 1.366 110 N HN 0.580 nan 8.380 nan 0.000 0.493 111 K N 1.437 121.658 120.400 -0.297 0.000 2.426 111 K HA 0.392 4.699 4.320 -0.023 0.000 0.254 111 K C -1.570 174.824 176.600 -0.344 0.000 0.936 111 K CA -0.472 55.702 56.287 -0.187 0.000 0.801 111 K CB 0.748 33.213 32.500 -0.057 0.000 1.139 111 K HN 0.458 nan 8.250 nan 0.000 0.424 112 Y N 2.586 122.958 120.300 0.119 0.000 2.334 112 Y HA 0.342 4.878 4.550 -0.023 0.000 0.336 112 Y C 0.274 176.302 175.900 0.214 0.000 0.960 112 Y CA -0.832 57.374 58.100 0.177 0.000 1.164 112 Y CB 1.475 40.038 38.460 0.173 0.000 1.155 112 Y HN 0.463 nan 8.280 nan 0.000 0.478 113 R N 3.568 124.235 120.500 0.278 0.000 2.442 113 R HA 0.298 4.625 4.340 -0.023 0.000 0.291 113 R C -0.790 175.597 176.300 0.145 0.000 1.069 113 R CA -0.245 55.956 56.100 0.168 0.000 1.022 113 R CB 0.369 30.725 30.300 0.093 0.000 0.976 113 R HN 0.722 nan 8.270 nan 0.000 0.443 114 L N 7.269 128.493 121.223 0.002 0.000 2.410 114 L HA 0.250 4.576 4.340 -0.023 0.000 0.273 114 L C -1.765 174.906 176.870 -0.331 0.000 1.152 114 L CA -2.020 52.648 54.840 -0.286 0.000 0.855 114 L CB 0.629 42.504 42.059 -0.308 0.000 1.129 114 L HN 0.514 nan 8.230 nan 0.000 0.463 115 P HA -0.037 nan 4.420 nan 0.000 0.266 115 P C -0.087 177.013 177.300 -0.334 0.000 1.186 115 P CA -0.096 62.808 63.100 -0.326 0.000 0.767 115 P CB 0.478 31.939 31.700 -0.397 0.000 0.820 116 D N 0.715 121.027 120.400 -0.146 0.000 2.149 116 D HA -0.237 4.389 4.640 -0.023 0.000 0.194 116 D C 1.546 177.746 176.300 -0.166 0.000 1.001 116 D CA 1.776 55.699 54.000 -0.127 0.000 0.849 116 D CB -0.776 40.001 40.800 -0.039 0.000 0.939 116 D HN 0.647 nan 8.370 nan 0.000 0.449 117 H N -0.039 118.931 119.070 -0.167 0.000 2.551 117 H HA 0.134 4.676 4.556 -0.023 0.000 0.266 117 H C 1.997 177.212 175.328 -0.187 0.000 0.977 117 H CA 0.125 56.081 56.048 -0.153 0.000 1.163 117 H CB -0.445 29.248 29.762 -0.115 0.000 1.381 117 H HN 0.177 nan 8.280 nan 0.000 0.581 118 L N 0.567 121.335 121.223 -0.758 0.000 2.201 118 L HA -0.062 4.264 4.340 -0.023 0.000 0.212 118 L C 2.637 179.274 176.870 -0.388 0.000 1.105 118 L CA 0.853 55.312 54.840 -0.634 0.000 0.775 118 L CB -0.243 41.397 42.059 -0.698 0.000 0.913 118 L HN 0.221 nan 8.230 nan 0.000 0.440 119 R N -0.576 119.657 120.500 -0.445 0.000 2.189 119 R HA -0.093 4.233 4.340 -0.023 0.000 0.223 119 R C 1.592 177.698 176.300 -0.323 0.000 1.092 119 R CA 1.694 57.474 56.100 -0.533 0.000 0.989 119 R CB -0.009 29.898 30.300 -0.655 0.000 0.876 119 R HN 0.420 nan 8.270 nan 0.000 0.457 120 T N -4.150 110.270 114.554 -0.223 0.000 3.145 120 T HA 0.299 4.635 4.350 -0.023 0.000 0.281 120 T C 0.749 175.405 174.700 -0.074 0.000 1.003 120 T CA -0.225 61.793 62.100 -0.136 0.000 0.901 120 T CB 1.116 69.923 68.868 -0.102 0.000 1.112 120 T HN 0.155 nan 8.240 nan 0.000 0.535 121 G N 1.886 110.641 108.800 -0.075 0.000 2.630 121 G HA2 0.531 4.478 3.960 -0.023 0.000 0.223 121 G HA3 0.531 4.478 3.960 -0.023 0.000 0.223 121 G C 0.084 174.982 174.900 -0.004 0.000 1.434 121 G CA -0.083 45.017 45.100 -0.000 0.000 1.057 121 G HN 0.526 nan 8.290 nan 0.000 0.570 122 T N -3.049 111.520 114.554 0.025 0.000 2.902 122 T HA 0.376 4.713 4.350 -0.023 0.000 0.280 122 T C 1.562 176.285 174.700 0.038 0.000 0.992 122 T CA 0.536 62.665 62.100 0.049 0.000 1.015 122 T CB 1.471 70.377 68.868 0.064 0.000 1.044 122 T HN 0.472 nan 8.240 nan 0.000 0.520 123 S N -0.233 115.533 115.700 0.111 0.000 2.359 123 S HA -0.209 4.247 4.470 -0.023 0.000 0.224 123 S C 1.860 176.552 174.600 0.154 0.000 1.035 123 S CA 1.964 60.266 58.200 0.169 0.000 1.018 123 S CB -0.748 62.664 63.200 0.353 0.000 0.876 123 S HN 0.870 nan 8.310 nan 0.000 0.448 124 E N 0.036 120.345 120.200 0.183 0.000 2.085 124 E HA -0.220 4.116 4.350 -0.023 0.000 0.194 124 E C 2.281 178.956 176.600 0.125 0.000 0.994 124 E CA 1.355 57.868 56.400 0.190 0.000 0.801 124 E CB -0.182 29.597 29.700 0.132 0.000 0.743 124 E HN 0.675 nan 8.360 nan 0.000 0.453 125 Q N 0.072 119.913 119.800 0.068 0.000 2.050 125 Q HA -0.182 4.144 4.340 -0.023 0.000 0.202 125 Q C 2.361 178.365 176.000 0.005 0.000 0.980 125 Q CA 1.293 57.134 55.803 0.064 0.000 0.840 125 Q CB -0.152 28.634 28.738 0.079 0.000 0.898 125 Q HN 0.266 nan 8.270 nan 0.000 0.424 126 L N -0.202 120.926 121.223 -0.157 0.000 1.970 126 L HA -0.182 4.144 4.340 -0.023 0.000 0.212 126 L C 1.695 178.410 176.870 -0.258 0.000 1.071 126 L CA 1.957 56.596 54.840 -0.335 0.000 0.751 126 L CB -0.596 41.046 42.059 -0.694 0.000 0.889 126 L HN 0.295 nan 8.230 nan 0.000 0.432 127 W N -1.268 120.108 121.300 0.126 0.000 2.436 127 W HA -0.056 4.593 4.660 -0.019 0.000 0.284 127 W C 3.000 179.551 176.519 0.054 0.000 1.225 127 W CA 0.862 58.252 57.345 0.075 0.000 1.271 127 W CB -0.763 28.722 29.460 0.043 0.000 1.114 127 W HN 0.233 nan 8.180 nan 0.000 0.559 128 S N 0.402 116.240 115.700 0.230 0.000 2.368 128 S HA -0.238 4.218 4.470 -0.023 0.000 0.224 128 S C 1.794 176.469 174.600 0.124 0.000 1.029 128 S CA 1.391 59.682 58.200 0.153 0.000 0.988 128 S CB -0.637 62.645 63.200 0.136 0.000 0.838 128 S HN 0.248 nan 8.310 nan 0.000 0.462 129 F N 2.191 122.141 119.950 -0.000 0.000 2.069 129 F HA -0.037 4.475 4.527 -0.024 0.000 0.298 129 F C 1.875 177.639 175.800 -0.060 0.000 1.113 129 F CA 1.748 59.728 58.000 -0.034 0.000 1.214 129 F CB -0.554 38.412 39.000 -0.058 0.000 0.978 129 F HN 0.226 nan 8.300 nan 0.000 0.474 130 I N 0.340 120.897 120.570 -0.021 0.000 2.208 130 I HA -0.339 3.817 4.170 -0.023 0.000 0.245 130 I C 2.679 178.676 176.117 -0.199 0.000 1.097 130 I CA 1.301 62.516 61.300 -0.141 0.000 1.363 130 I CB -1.004 37.027 38.000 0.052 0.000 1.051 130 I HN 0.282 nan 8.210 nan 0.000 0.413 131 A N 0.675 123.447 122.820 -0.080 0.000 1.933 131 A HA -0.206 4.101 4.320 -0.023 0.000 0.218 131 A C 2.323 179.826 177.584 -0.136 0.000 1.175 131 A CA 1.504 53.495 52.037 -0.077 0.000 0.628 131 A CB -0.410 18.586 19.000 -0.007 0.000 0.814 131 A HN 0.317 nan 8.150 nan 0.000 0.444 132 K N -0.761 119.529 120.400 -0.184 0.000 2.057 132 K HA -0.150 4.156 4.320 -0.023 0.000 0.207 132 K C 2.078 178.484 176.600 -0.324 0.000 1.049 132 K CA 1.472 57.635 56.287 -0.206 0.000 0.931 132 K CB -0.452 31.931 32.500 -0.195 0.000 0.714 132 K HN 0.577 nan 8.250 nan 0.000 0.440 133 C N 0.885 119.833 119.300 -0.587 0.000 2.446 133 C HA -0.050 4.396 4.460 -0.023 0.000 0.277 133 C C 2.534 177.298 174.990 -0.375 0.000 1.275 133 C CA 0.485 59.001 59.018 -0.838 0.000 1.727 133 C CB -0.777 26.178 27.740 -1.308 0.000 2.010 133 C HN 0.408 nan 8.230 nan 0.000 0.486 134 L N 0.827 121.912 121.223 -0.229 0.000 2.093 134 L HA -0.156 4.171 4.340 -0.023 0.000 0.208 134 L C 2.665 179.577 176.870 0.070 0.000 1.085 134 L CA 1.477 56.300 54.840 -0.028 0.000 0.755 134 L CB -0.653 41.374 42.059 -0.053 0.000 0.904 134 L HN 0.399 nan 8.230 nan 0.000 0.435 135 K N 0.457 120.855 120.400 -0.002 0.000 2.026 135 K HA -0.260 4.046 4.320 -0.023 0.000 0.208 135 K C 2.103 178.742 176.600 0.065 0.000 1.048 135 K CA 1.723 58.026 56.287 0.027 0.000 0.929 135 K CB -0.058 32.435 32.500 -0.011 0.000 0.713 135 K HN 0.284 nan 8.250 nan 0.000 0.439 136 E N -0.229 120.000 120.200 0.047 0.000 2.051 136 E HA -0.225 4.111 4.350 -0.023 0.000 0.192 136 E C 1.938 178.642 176.600 0.173 0.000 0.991 136 E CA 1.221 57.673 56.400 0.086 0.000 0.799 136 E CB -0.221 29.531 29.700 0.087 0.000 0.748 136 E HN 0.370 nan 8.360 nan 0.000 0.449 137 F N 0.995 121.034 119.950 0.148 0.000 2.075 137 F HA -0.191 4.322 4.527 -0.022 0.000 0.297 137 F C 2.190 178.181 175.800 0.319 0.000 1.113 137 F CA 1.435 59.610 58.000 0.292 0.000 1.218 137 F CB -0.302 38.873 39.000 0.292 0.000 0.984 137 F HN -0.124 nan 8.300 nan 0.000 0.472 138 V N 0.362 120.510 119.914 0.391 0.000 2.343 138 V HA -0.300 3.806 4.120 -0.023 0.000 0.247 138 V C 2.006 178.206 176.094 0.176 0.000 1.051 138 V CA 2.188 64.687 62.300 0.332 0.000 1.036 138 V CB -0.747 31.235 31.823 0.265 0.000 0.654 138 V HN 0.274 nan 8.190 nan 0.000 0.451 139 D N -0.380 120.070 120.400 0.084 0.000 2.182 139 D HA -0.192 4.434 4.640 -0.023 0.000 0.201 139 D C 2.168 178.412 176.300 -0.094 0.000 0.986 139 D CA 1.537 55.543 54.000 0.010 0.000 0.847 139 D CB -0.040 40.758 40.800 -0.003 0.000 0.942 139 D HN 0.677 nan 8.370 nan 0.000 0.467 140 E N -0.905 119.179 120.200 -0.194 0.000 2.051 140 E HA -0.123 4.213 4.350 -0.023 0.000 0.189 140 E C 1.543 177.684 176.600 -0.765 0.000 0.979 140 E CA 0.688 56.791 56.400 -0.496 0.000 0.803 140 E CB -0.100 29.214 29.700 -0.644 0.000 0.761 140 E HN 0.296 nan 8.360 nan 0.000 0.451 141 W N -0.846 120.251 121.300 -0.338 0.000 3.003 141 W HA 0.123 4.769 4.660 -0.023 0.000 0.257 141 W C 0.037 176.154 176.519 -0.671 0.000 1.308 141 W CA -0.125 56.917 57.345 -0.505 0.000 1.529 141 W CB 0.413 29.487 29.460 -0.644 0.000 1.115 141 W HN 0.047 nan 8.180 nan 0.000 0.659 142 Y N 0.678 120.973 120.300 -0.007 0.000 2.511 142 Y HA 0.246 4.783 4.550 -0.022 0.000 0.356 142 Y C -1.601 174.273 175.900 -0.044 0.000 1.002 142 Y CA -2.204 55.894 58.100 -0.002 0.000 1.127 142 Y CB 0.301 38.780 38.460 0.032 0.000 1.137 142 Y HN -0.185 nan 8.280 nan 0.000 0.652 143 P HA -0.098 nan 4.420 nan 0.000 0.226 143 P C 0.224 177.527 177.300 0.004 0.000 1.153 143 P CA 1.394 64.474 63.100 -0.033 0.000 0.777 143 P CB 0.562 32.204 31.700 -0.097 0.000 0.794 144 D N -0.486 119.934 120.400 0.034 0.000 2.368 144 D HA 0.254 4.880 4.640 -0.023 0.000 0.218 144 D C 1.323 177.654 176.300 0.052 0.000 1.112 144 D CA 0.473 54.493 54.000 0.033 0.000 0.834 144 D CB 0.546 41.362 40.800 0.027 0.000 0.953 144 D HN 0.131 nan 8.370 nan 0.000 0.505 145 G N 0.670 109.519 108.800 0.081 0.000 2.693 145 G HA2 -0.160 3.786 3.960 -0.023 0.000 0.226 145 G HA3 -0.160 3.786 3.960 -0.023 0.000 0.226 145 G C -0.187 174.741 174.900 0.046 0.000 1.354 145 G CA -0.224 44.908 45.100 0.054 0.000 0.873 145 G HN 0.502 nan 8.290 nan 0.000 0.562 146 V N -3.867 116.021 119.914 -0.044 0.000 3.102 146 V HA 0.882 4.988 4.120 -0.023 0.000 0.312 146 V C 1.134 177.188 176.094 -0.067 0.000 1.135 146 V CA 0.680 62.918 62.300 -0.103 0.000 1.022 146 V CB 1.407 33.049 31.823 -0.302 0.000 1.056 146 V HN 2.179 nan 8.190 nan 0.000 0.436 147 S N -0.063 115.603 115.700 -0.058 0.000 2.501 147 S HA 0.306 4.762 4.470 -0.023 0.000 0.220 147 S C 0.324 174.894 174.600 -0.049 0.000 0.997 147 S CA 0.130 58.308 58.200 -0.038 0.000 0.919 147 S CB -0.371 62.817 63.200 -0.020 0.000 0.778 147 S HN 0.885 nan 8.310 nan 0.000 0.523 148 E N 1.144 121.299 120.200 -0.075 0.000 2.367 148 E HA 0.465 4.801 4.350 -0.023 0.000 0.273 148 E C -3.154 173.383 176.600 -0.104 0.000 0.903 148 E CA -2.711 53.646 56.400 -0.072 0.000 0.764 148 E CB 1.472 31.135 29.700 -0.062 0.000 1.252 148 E HN 0.043 nan 8.360 nan 0.000 0.446 149 P HA 0.028 nan 4.420 nan 0.000 0.267 149 P C -0.699 176.533 177.300 -0.113 0.000 1.200 149 P CA 0.023 63.067 63.100 -0.092 0.000 0.772 149 P CB 0.440 32.107 31.700 -0.056 0.000 0.855 150 L N 5.308 126.448 121.223 -0.137 0.000 2.361 150 L HA 0.235 4.562 4.340 -0.023 0.000 0.278 150 L C -1.994 174.855 176.870 -0.034 0.000 1.113 150 L CA -1.766 52.993 54.840 -0.136 0.000 0.849 150 L CB 0.203 42.177 42.059 -0.142 0.000 1.155 150 L HN 0.222 nan 8.230 nan 0.000 0.452 151 P HA 0.178 nan 4.420 nan 0.000 0.276 151 P C -0.946 176.439 177.300 0.142 0.000 1.230 151 P CA -0.239 62.934 63.100 0.123 0.000 0.776 151 P CB 0.915 32.772 31.700 0.262 0.000 0.888 152 L N 2.678 123.953 121.223 0.088 0.000 2.362 152 L HA 0.772 5.098 4.340 -0.023 0.000 0.275 152 L C 0.027 176.948 176.870 0.085 0.000 0.998 152 L CA -0.479 54.406 54.840 0.073 0.000 0.820 152 L CB 1.534 43.603 42.059 0.018 0.000 1.270 152 L HN 0.441 nan 8.230 nan 0.000 0.415 153 G N 3.437 112.295 108.800 0.097 0.000 2.322 153 G HA2 0.408 4.355 3.960 -0.023 0.000 0.309 153 G HA3 0.408 4.355 3.960 -0.023 0.000 0.309 153 G C -1.420 173.610 174.900 0.217 0.000 1.121 153 G CA -0.264 44.908 45.100 0.121 0.000 0.886 153 G HN 0.393 nan 8.290 nan 0.000 0.447 154 F N 2.914 122.895 119.950 0.051 0.000 2.375 154 F HA 0.488 5.001 4.527 -0.023 0.000 0.361 154 F C 0.218 176.107 175.800 0.147 0.000 1.117 154 F CA -1.372 56.687 58.000 0.098 0.000 1.037 154 F CB 1.435 40.480 39.000 0.075 0.000 1.192 154 F HN 0.247 nan 8.300 nan 0.000 0.452 155 T N 7.653 122.467 114.554 0.433 0.000 2.729 155 T HA 0.240 4.576 4.350 -0.023 0.000 0.296 155 T C -0.872 173.920 174.700 0.153 0.000 0.928 155 T CA 0.170 62.385 62.100 0.192 0.000 1.045 155 T CB -0.226 68.735 68.868 0.155 0.000 0.902 155 T HN 0.396 nan 8.240 nan 0.000 0.500 156 F N 3.237 123.048 119.950 -0.232 0.000 2.691 156 F HA 0.361 4.873 4.527 -0.024 0.000 0.371 156 F C 0.137 175.881 175.800 -0.092 0.000 1.159 156 F CA -0.819 57.033 58.000 -0.247 0.000 1.174 156 F CB 0.822 39.382 39.000 -0.733 0.000 1.419 156 F HN 0.360 nan 8.300 nan 0.000 0.514 157 S N 5.048 120.494 115.700 -0.423 0.000 3.965 157 S HA 0.330 4.786 4.470 -0.023 0.000 0.195 157 S C -1.011 173.066 174.600 -0.872 0.000 1.449 157 S CA -0.037 57.877 58.200 -0.476 0.000 0.965 157 S CB -0.645 62.352 63.200 -0.339 0.000 1.459 157 S HN 0.493 nan 8.310 nan 0.000 0.476 158 Y N 0.439 120.475 120.300 -0.440 0.000 2.576 158 Y HA 0.447 4.982 4.550 -0.025 0.000 0.346 158 Y C -2.562 173.209 175.900 -0.215 0.000 1.018 158 Y CA -2.861 55.004 58.100 -0.392 0.000 1.050 158 Y CB 0.675 38.692 38.460 -0.738 0.000 1.280 158 Y HN 0.139 nan 8.280 nan 0.000 0.474 159 P HA 0.335 nan 4.420 nan 0.000 0.266 159 P C -1.165 176.149 177.300 0.024 0.000 1.215 159 P CA 0.304 63.411 63.100 0.011 0.000 0.763 159 P CB 0.428 32.138 31.700 0.016 0.000 0.806 160 A N 2.475 125.318 122.820 0.038 0.000 2.589 160 A HA 0.666 4.972 4.320 -0.023 0.000 0.296 160 A C -0.686 176.923 177.584 0.041 0.000 1.062 160 A CA -0.495 51.577 52.037 0.059 0.000 0.686 160 A CB 1.229 20.328 19.000 0.166 0.000 1.282 160 A HN 0.435 nan 8.150 nan 0.000 0.404 161 S N 0.838 116.553 115.700 0.025 0.000 2.532 161 S HA 0.807 5.263 4.470 -0.023 0.000 0.301 161 S C -0.795 173.828 174.600 0.039 0.000 1.083 161 S CA -0.538 57.685 58.200 0.038 0.000 1.025 161 S CB 1.496 64.711 63.200 0.025 0.000 1.056 161 S HN 1.147 nan 8.310 nan 0.000 0.494 162 Q N 0.683 120.537 119.800 0.090 0.000 2.331 162 Q HA 0.502 4.828 4.340 -0.023 0.000 0.272 162 Q C -0.957 175.100 176.000 0.095 0.000 1.062 162 Q CA -1.010 54.828 55.803 0.058 0.000 0.806 162 Q CB 1.946 30.719 28.738 0.058 0.000 1.312 162 Q HN 0.723 nan 8.270 nan 0.000 0.431 163 K N 1.117 121.457 120.400 -0.100 0.000 2.374 163 K HA 0.134 4.440 4.320 -0.023 0.000 0.196 163 K C -0.224 175.923 176.600 -0.755 0.000 1.023 163 K CA 0.390 56.535 56.287 -0.236 0.000 1.103 163 K CB 0.424 32.829 32.500 -0.159 0.000 0.848 163 K HN 0.654 nan 8.250 nan 0.000 0.528 164 K N -1.012 118.924 120.400 -0.774 0.000 2.575 164 K HA 0.235 4.541 4.320 -0.023 0.000 0.279 164 K C 0.101 176.406 176.600 -0.491 0.000 0.969 164 K CA -0.735 55.019 56.287 -0.889 0.000 0.868 164 K CB 0.746 32.939 32.500 -0.511 0.000 1.457 164 K HN -0.171 nan 8.250 nan 0.000 0.426 165 I N 0.998 121.404 120.570 -0.273 0.000 2.394 165 I HA -0.196 3.960 4.170 -0.023 0.000 0.251 165 I C 0.520 176.613 176.117 -0.039 0.000 1.136 165 I CA 1.077 62.373 61.300 -0.008 0.000 1.425 165 I CB 0.012 38.071 38.000 0.099 0.000 1.079 165 I HN 0.729 nan 8.210 nan 0.000 0.425 166 N N 0.666 119.316 118.700 -0.085 0.000 3.052 166 N HA 0.049 4.775 4.740 -0.023 0.000 0.302 166 N C -0.585 174.871 175.510 -0.090 0.000 1.332 166 N CA 0.032 53.044 53.050 -0.063 0.000 1.129 166 N CB 0.593 39.046 38.487 -0.057 0.000 1.436 166 N HN 0.092 nan 8.380 nan 0.000 0.536 167 S N -1.056 114.588 115.700 -0.094 0.000 2.552 167 S HA 0.758 5.214 4.470 -0.023 0.000 0.272 167 S C -1.440 173.095 174.600 -0.107 0.000 1.150 167 S CA -0.453 57.677 58.200 -0.116 0.000 0.849 167 S CB 1.285 64.404 63.200 -0.134 0.000 1.113 167 S HN 0.525 nan 8.310 nan 0.000 0.458 168 G N 1.723 110.437 108.800 -0.142 0.000 2.552 168 G HA2 0.503 4.450 3.960 -0.023 0.000 0.288 168 G HA3 0.503 4.450 3.960 -0.023 0.000 0.288 168 G C -1.644 173.174 174.900 -0.137 0.000 1.358 168 G CA -0.317 44.709 45.100 -0.122 0.000 1.305 168 G HN 0.847 nan 8.290 nan 0.000 0.602 169 V N 3.843 123.710 119.914 -0.078 0.000 2.348 169 V HA 0.275 4.381 4.120 -0.023 0.000 0.270 169 V C 0.585 176.638 176.094 -0.068 0.000 1.037 169 V CA -0.686 61.564 62.300 -0.084 0.000 0.872 169 V CB 1.010 32.789 31.823 -0.073 0.000 1.002 169 V HN 0.754 nan 8.190 nan 0.000 0.464 170 L N 5.705 126.870 121.223 -0.097 0.000 2.499 170 L HA 0.129 4.455 4.340 -0.023 0.000 0.273 170 L C 1.286 178.070 176.870 -0.143 0.000 1.195 170 L CA 1.008 55.779 54.840 -0.115 0.000 0.882 170 L CB 0.713 42.586 42.059 -0.309 0.000 1.133 170 L HN 0.621 nan 8.230 nan 0.000 0.483 171 Q N 4.209 123.946 119.800 -0.104 0.000 2.324 171 Q HA 0.193 4.519 4.340 -0.023 0.000 0.207 171 Q C 0.132 176.077 176.000 -0.091 0.000 0.928 171 Q CA 0.722 56.475 55.803 -0.083 0.000 0.890 171 Q CB 0.298 29.014 28.738 -0.036 0.000 1.001 171 Q HN 0.696 nan 8.270 nan 0.000 0.517 172 R N -0.696 119.743 120.500 -0.102 0.000 2.560 172 R HA 0.167 4.494 4.340 -0.023 0.000 0.267 172 R C -1.798 174.513 176.300 0.018 0.000 1.150 172 R CA -0.334 55.748 56.100 -0.030 0.000 0.997 172 R CB 0.709 31.029 30.300 0.034 0.000 1.250 172 R HN -0.037 nan 8.270 nan 0.000 0.433 173 W N 3.098 124.435 121.300 0.061 0.000 2.158 173 W HA 0.190 4.842 4.660 -0.014 0.000 0.339 173 W C 0.926 177.528 176.519 0.138 0.000 1.294 173 W CA 0.438 57.823 57.345 0.067 0.000 1.231 173 W CB 1.182 30.685 29.460 0.072 0.000 1.143 173 W HN 0.623 nan 8.180 nan 0.000 0.571 174 T N -1.859 113.046 114.554 0.586 0.000 2.742 174 T HA 0.442 4.779 4.350 -0.023 0.000 0.282 174 T C -0.242 174.736 174.700 0.463 0.000 1.025 174 T CA -1.039 61.299 62.100 0.397 0.000 1.020 174 T CB 1.681 70.703 68.868 0.256 0.000 1.317 174 T HN 0.550 nan 8.240 nan 0.000 0.538 175 K N -0.143 120.408 120.400 0.252 0.000 3.160 175 K HA -0.187 4.119 4.320 -0.023 0.000 0.280 175 K C 1.011 177.641 176.600 0.051 0.000 1.154 175 K CA 0.729 57.123 56.287 0.177 0.000 0.822 175 K CB -2.133 30.554 32.500 0.312 0.000 1.239 175 K HN 1.732 nan 8.250 nan 0.000 0.489 176 G N -0.330 108.489 108.800 0.031 0.000 2.176 176 G HA2 -0.338 3.609 3.960 -0.023 0.000 0.253 176 G HA3 -0.338 3.609 3.960 -0.023 0.000 0.253 176 G C 0.196 174.983 174.900 -0.188 0.000 0.979 176 G CA 0.284 45.326 45.100 -0.096 0.000 0.641 176 G HN 0.277 nan 8.290 nan 0.000 0.530 177 F N 0.999 120.831 119.950 -0.197 0.000 2.506 177 F HA 0.501 5.017 4.527 -0.019 0.000 0.351 177 F C 0.841 176.341 175.800 -0.500 0.000 1.136 177 F CA 0.831 58.507 58.000 -0.539 0.000 1.298 177 F CB 0.969 39.371 39.000 -0.997 0.000 1.145 177 F HN 0.021 nan 8.300 nan 0.000 0.593 178 D N 3.880 124.055 120.400 -0.376 0.000 2.752 178 D HA 0.262 4.888 4.640 -0.023 0.000 0.242 178 D C -1.142 175.055 176.300 -0.172 0.000 1.295 178 D CA -0.080 53.810 54.000 -0.183 0.000 0.846 178 D CB 0.088 40.854 40.800 -0.057 0.000 1.454 178 D HN 0.307 nan 8.370 nan 0.000 0.535 179 I N 1.860 122.298 120.570 -0.220 0.000 2.382 179 I HA 0.255 4.411 4.170 -0.023 0.000 0.286 179 I C 0.742 177.065 176.117 0.344 0.000 1.002 179 I CA -0.771 60.557 61.300 0.047 0.000 1.135 179 I CB 1.737 39.711 38.000 -0.043 0.000 1.288 179 I HN 0.011 nan 8.210 nan 0.000 0.448 180 E N 3.980 124.309 120.200 0.216 0.000 2.398 180 E HA 0.193 4.529 4.350 -0.023 0.000 0.263 180 E C 0.932 177.682 176.600 0.251 0.000 1.046 180 E CA 0.657 57.187 56.400 0.216 0.000 0.908 180 E CB 0.715 30.498 29.700 0.139 0.000 0.963 180 E HN 0.952 nan 8.360 nan 0.000 0.431 181 G N 1.339 110.289 108.800 0.251 0.000 2.147 181 G HA2 -0.248 3.698 3.960 -0.023 0.000 0.244 181 G HA3 -0.248 3.698 3.960 -0.023 0.000 0.244 181 G C 0.539 175.658 174.900 0.364 0.000 1.005 181 G CA 0.346 45.604 45.100 0.264 0.000 0.713 181 G HN 0.371 nan 8.290 nan 0.000 0.515 182 V N -0.864 119.276 119.914 0.377 0.000 3.090 182 V HA 0.227 4.333 4.120 -0.023 0.000 0.237 182 V C 1.277 177.421 176.094 0.082 0.000 1.209 182 V CA 0.832 63.324 62.300 0.320 0.000 1.209 182 V CB 0.078 32.134 31.823 0.388 0.000 0.971 182 V HN 0.430 nan 8.190 nan 0.000 0.477 183 E N 1.265 121.441 120.200 -0.040 0.000 2.415 183 E HA 0.341 4.677 4.350 -0.023 0.000 0.263 183 E C 1.215 177.680 176.600 -0.225 0.000 0.995 183 E CA 0.894 57.189 56.400 -0.174 0.000 0.915 183 E CB 0.367 29.996 29.700 -0.119 0.000 0.951 183 E HN 0.536 nan 8.360 nan 0.000 0.449 184 G N 2.824 111.470 108.800 -0.256 0.000 2.159 184 G HA2 -0.274 3.672 3.960 -0.023 0.000 0.256 184 G HA3 -0.274 3.672 3.960 -0.023 0.000 0.256 184 G C -0.276 174.308 174.900 -0.526 0.000 0.977 184 G CA 0.324 45.209 45.100 -0.357 0.000 0.652 184 G HN 0.709 nan 8.290 nan 0.000 0.531 185 H N -0.531 118.499 119.070 -0.067 0.000 2.679 185 H HA 0.551 5.093 4.556 -0.024 0.000 0.367 185 H C -0.888 174.370 175.328 -0.118 0.000 1.162 185 H CA -0.744 55.260 56.048 -0.074 0.000 1.181 185 H CB 1.681 31.415 29.762 -0.047 0.000 1.693 185 H HN 0.070 nan 8.280 nan 0.000 0.538 186 D N 1.967 122.365 120.400 -0.003 0.000 2.336 186 D HA -0.013 4.613 4.640 -0.023 0.000 0.249 186 D C 1.204 177.377 176.300 -0.212 0.000 1.213 186 D CA -0.170 53.762 54.000 -0.113 0.000 0.870 186 D CB 1.175 41.911 40.800 -0.108 0.000 1.076 186 D HN 0.443 nan 8.370 nan 0.000 0.483 187 V N 2.483 122.207 119.914 -0.317 0.000 2.970 187 V HA -0.100 4.006 4.120 -0.023 0.000 0.260 187 V C 1.902 177.642 176.094 -0.591 0.000 1.100 187 V CA 0.635 62.611 62.300 -0.540 0.000 1.122 187 V CB -0.429 31.013 31.823 -0.635 0.000 0.721 187 V HN 0.381 nan 8.190 nan 0.000 0.483 188 V N 1.021 120.725 119.914 -0.351 0.000 2.261 188 V HA -0.073 4.033 4.120 -0.023 0.000 0.246 188 V C 0.475 176.401 176.094 -0.280 0.000 1.047 188 V CA 2.779 64.933 62.300 -0.242 0.000 1.015 188 V CB -1.621 30.121 31.823 -0.135 0.000 0.642 188 V HN 0.519 nan 8.190 nan 0.000 0.446 189 P HA -0.096 nan 4.420 nan 0.000 0.221 189 P C 1.852 178.971 177.300 -0.302 0.000 1.150 189 P CA 1.423 64.388 63.100 -0.225 0.000 0.800 189 P CB -0.080 31.516 31.700 -0.174 0.000 0.787 190 M N -1.699 117.611 119.600 -0.483 0.000 2.132 190 M HA -0.126 4.341 4.480 -0.023 0.000 0.263 190 M C 1.941 177.838 176.300 -0.672 0.000 1.065 190 M CA 1.518 56.422 55.300 -0.659 0.000 1.122 190 M CB -0.874 31.061 32.600 -1.109 0.000 1.365 190 M HN -0.038 nan 8.290 nan 0.000 0.411 191 L N 0.454 121.216 121.223 -0.768 0.000 2.027 191 L HA -0.164 4.162 4.340 -0.023 0.000 0.206 191 L C 2.385 179.143 176.870 -0.188 0.000 1.074 191 L CA 1.940 56.566 54.840 -0.357 0.000 0.745 191 L CB -0.938 40.921 42.059 -0.333 0.000 0.898 191 L HN 0.239 nan 8.230 nan 0.000 0.433 192 Q N 0.094 119.773 119.800 -0.201 0.000 2.135 192 Q HA -0.285 4.041 4.340 -0.023 0.000 0.204 192 Q C 2.225 178.166 176.000 -0.098 0.000 0.981 192 Q CA 2.255 57.982 55.803 -0.128 0.000 0.856 192 Q CB -0.309 28.358 28.738 -0.118 0.000 0.902 192 Q HN 0.693 nan 8.270 nan 0.000 0.425 193 E N -1.107 119.026 120.200 -0.111 0.000 2.077 193 E HA -0.240 4.096 4.350 -0.023 0.000 0.193 193 E C 1.748 178.329 176.600 -0.033 0.000 0.989 193 E CA 1.160 57.518 56.400 -0.070 0.000 0.800 193 E CB 0.047 29.700 29.700 -0.079 0.000 0.746 193 E HN 0.354 nan 8.360 nan 0.000 0.452 194 Q N 0.245 120.037 119.800 -0.013 0.000 2.167 194 Q HA -0.074 4.252 4.340 -0.023 0.000 0.202 194 Q C 2.294 178.297 176.000 0.006 0.000 0.970 194 Q CA 0.883 56.705 55.803 0.031 0.000 0.855 194 Q CB -0.106 28.698 28.738 0.111 0.000 0.911 194 Q HN 0.477 nan 8.270 nan 0.000 0.438 195 I N 0.504 121.063 120.570 -0.019 0.000 2.252 195 I HA -0.244 3.913 4.170 -0.023 0.000 0.245 195 I C 2.019 178.121 176.117 -0.024 0.000 1.102 195 I CA 1.110 62.393 61.300 -0.028 0.000 1.385 195 I CB -0.092 37.880 38.000 -0.046 0.000 1.064 195 I HN 0.212 nan 8.210 nan 0.000 0.414 196 E N 0.612 120.795 120.200 -0.029 0.000 2.152 196 E HA -0.248 4.089 4.350 -0.023 0.000 0.192 196 E C 2.099 178.689 176.600 -0.017 0.000 0.983 196 E CA 0.815 57.200 56.400 -0.026 0.000 0.818 196 E CB 0.028 29.708 29.700 -0.032 0.000 0.758 196 E HN 0.300 nan 8.360 nan 0.000 0.467 197 K N 0.871 121.265 120.400 -0.011 0.000 2.147 197 K HA -0.112 4.194 4.320 -0.023 0.000 0.205 197 K C 1.560 178.159 176.600 -0.002 0.000 1.049 197 K CA 0.951 57.236 56.287 -0.003 0.000 0.936 197 K CB 0.081 32.586 32.500 0.007 0.000 0.722 197 K HN 0.116 nan 8.250 nan 0.000 0.446 198 L N 0.856 122.077 121.223 -0.004 0.000 2.592 198 L HA 0.128 4.455 4.340 -0.023 0.000 0.227 198 L C -0.398 176.468 176.870 -0.007 0.000 1.127 198 L CA 0.039 54.876 54.840 -0.005 0.000 0.884 198 L CB -0.518 41.537 42.059 -0.007 0.000 1.065 198 L HN 0.317 nan 8.230 nan 0.000 0.457 199 N N 0.460 119.154 118.700 -0.010 0.000 2.727 199 N HA -0.198 4.528 4.740 -0.023 0.000 0.249 199 N C -0.378 175.125 175.510 -0.012 0.000 1.048 199 N CA 0.178 53.221 53.050 -0.012 0.000 0.714 199 N CB -1.267 37.214 38.487 -0.010 0.000 0.959 199 N HN 0.314 nan 8.380 nan 0.000 0.544 200 I N 0.875 121.438 120.570 -0.013 0.000 2.395 200 I HA 0.231 4.387 4.170 -0.023 0.000 0.289 200 I C -1.620 174.484 176.117 -0.021 0.000 1.023 200 I CA -1.933 59.362 61.300 -0.009 0.000 1.350 200 I CB 0.777 38.775 38.000 -0.004 0.000 1.409 200 I HN -0.127 nan 8.210 nan 0.000 0.507 201 P HA 0.371 nan 4.420 nan 0.000 0.231 201 P C -0.634 176.629 177.300 -0.062 0.000 1.811 201 P CA 0.270 63.339 63.100 -0.051 0.000 1.051 201 P CB -0.105 31.553 31.700 -0.069 0.000 1.951 202 I N 1.910 122.453 120.570 -0.045 0.000 2.686 202 I HA 0.333 4.489 4.170 -0.023 0.000 0.295 202 I C -0.297 175.799 176.117 -0.036 0.000 1.114 202 I CA -0.756 60.520 61.300 -0.039 0.000 1.038 202 I CB 2.588 40.570 38.000 -0.029 0.000 1.238 202 I HN -0.034 nan 8.210 nan 0.000 0.420 203 N N 4.536 123.221 118.700 -0.026 0.000 2.407 203 N HA 0.336 5.062 4.740 -0.023 0.000 0.277 203 N C -0.841 174.662 175.510 -0.012 0.000 0.995 203 N CA -0.422 52.615 53.050 -0.022 0.000 0.903 203 N CB 2.750 41.229 38.487 -0.013 0.000 1.218 203 N HN 0.162 nan 8.380 nan 0.000 0.487 204 V N 2.805 122.703 119.914 -0.027 0.000 2.405 204 V HA 0.047 4.154 4.120 -0.023 0.000 0.264 204 V C 1.553 177.648 176.094 0.002 0.000 1.048 204 V CA -0.161 62.132 62.300 -0.011 0.000 0.966 204 V CB 0.610 32.411 31.823 -0.037 0.000 1.015 204 V HN 0.591 nan 8.190 nan 0.000 0.477 205 V N 2.062 121.991 119.914 0.025 0.000 3.645 205 V HA 0.762 4.868 4.120 -0.023 0.000 0.275 205 V C 0.594 176.701 176.094 0.023 0.000 1.356 205 V CA 0.615 62.926 62.300 0.018 0.000 1.051 205 V CB 0.244 32.085 31.823 0.029 0.000 0.828 205 V HN 0.819 nan 8.190 nan 0.000 0.441 206 A N 0.432 123.282 122.820 0.050 0.000 2.547 206 A HA 0.819 5.125 4.320 -0.023 0.000 0.297 206 A C -1.579 176.063 177.584 0.096 0.000 1.056 206 A CA -0.460 51.610 52.037 0.056 0.000 0.688 206 A CB 2.094 21.121 19.000 0.046 0.000 1.282 206 A HN 0.544 nan 8.150 nan 0.000 0.400 207 L N 3.311 124.574 121.223 0.066 0.000 2.385 207 L HA 0.922 5.248 4.340 -0.023 0.000 0.273 207 L C -0.936 175.961 176.870 0.045 0.000 0.990 207 L CA -0.760 54.110 54.840 0.049 0.000 0.821 207 L CB 1.385 43.417 42.059 -0.044 0.000 1.279 207 L HN 0.831 nan 8.230 nan 0.000 0.412 208 I N 1.046 121.642 120.570 0.043 0.000 2.969 208 I HA 0.497 4.653 4.170 -0.023 0.000 0.307 208 I C -1.325 174.802 176.117 0.016 0.000 1.149 208 I CA -0.837 60.483 61.300 0.033 0.000 1.008 208 I CB 2.071 40.087 38.000 0.025 0.000 1.232 208 I HN 0.611 nan 8.210 nan 0.000 0.435 209 N N 3.238 121.933 118.700 -0.008 0.000 2.529 209 N HA 0.016 4.743 4.740 -0.023 0.000 0.278 209 N C 0.592 176.080 175.510 -0.037 0.000 1.146 209 N CA 0.097 53.125 53.050 -0.037 0.000 0.980 209 N CB 1.259 39.715 38.487 -0.052 0.000 1.124 209 N HN 0.908 nan 8.380 nan 0.000 0.458 210 D N 2.297 122.672 120.400 -0.042 0.000 2.182 210 D HA -0.175 4.451 4.640 -0.023 0.000 0.201 210 D C 0.966 177.246 176.300 -0.033 0.000 0.986 210 D CA 1.534 55.518 54.000 -0.027 0.000 0.847 210 D CB -0.406 40.379 40.800 -0.026 0.000 0.942 210 D HN 0.500 nan 8.370 nan 0.000 0.467 211 T N 0.482 115.007 114.554 -0.049 0.000 2.821 211 T HA -0.095 4.241 4.350 -0.023 0.000 0.267 211 T C 2.037 176.699 174.700 -0.063 0.000 1.046 211 T CA 1.839 63.906 62.100 -0.055 0.000 1.139 211 T CB -0.483 68.340 68.868 -0.076 0.000 0.871 211 T HN 0.272 nan 8.240 nan 0.000 0.454 212 T N 1.357 115.865 114.554 -0.077 0.000 2.720 212 T HA -0.069 4.267 4.350 -0.023 0.000 0.268 212 T C 2.296 176.956 174.700 -0.066 0.000 1.037 212 T CA 1.326 63.367 62.100 -0.099 0.000 1.144 212 T CB -0.850 67.958 68.868 -0.101 0.000 0.864 212 T HN 0.524 nan 8.240 nan 0.000 0.444 213 G N 1.106 109.882 108.800 -0.040 0.000 2.418 213 G HA2 -0.217 3.730 3.960 -0.023 0.000 0.217 213 G HA3 -0.217 3.730 3.960 -0.023 0.000 0.217 213 G C 1.725 176.616 174.900 -0.015 0.000 1.158 213 G CA 1.399 46.483 45.100 -0.026 0.000 0.771 213 G HN 0.448 nan 8.290 nan 0.000 0.545 214 T N 1.069 115.615 114.554 -0.012 0.000 2.746 214 T HA -0.142 4.194 4.350 -0.023 0.000 0.267 214 T C 2.249 176.963 174.700 0.022 0.000 1.039 214 T CA 1.279 63.382 62.100 0.005 0.000 1.142 214 T CB -0.222 68.644 68.868 -0.003 0.000 0.866 214 T HN 0.182 nan 8.240 nan 0.000 0.444 215 L N 1.236 122.464 121.223 0.009 0.000 1.994 215 L HA -0.031 4.295 4.340 -0.023 0.000 0.208 215 L C 2.394 179.318 176.870 0.089 0.000 1.071 215 L CA 1.683 56.546 54.840 0.038 0.000 0.745 215 L CB -0.733 41.309 42.059 -0.027 0.000 0.892 215 L HN 0.066 nan 8.230 nan 0.000 0.431 216 V N 0.242 120.195 119.914 0.065 0.000 2.379 216 V HA -0.181 3.925 4.120 -0.023 0.000 0.245 216 V C 2.826 179.002 176.094 0.136 0.000 1.044 216 V CA 1.448 63.826 62.300 0.131 0.000 1.036 216 V CB -1.322 30.550 31.823 0.081 0.000 0.664 216 V HN 0.615 nan 8.190 nan 0.000 0.453 217 A N -0.318 122.543 122.820 0.069 0.000 1.933 217 A HA -0.183 4.123 4.320 -0.023 0.000 0.218 217 A C 2.460 180.158 177.584 0.189 0.000 1.175 217 A CA 2.225 54.303 52.037 0.068 0.000 0.628 217 A CB -0.538 18.446 19.000 -0.028 0.000 0.814 217 A HN 0.508 nan 8.150 nan 0.000 0.444 218 S N -0.728 115.064 115.700 0.154 0.000 2.414 218 S HA -0.045 4.411 4.470 -0.023 0.000 0.227 218 S C 1.768 176.475 174.600 0.179 0.000 1.022 218 S CA 1.043 59.344 58.200 0.168 0.000 0.958 218 S CB -0.273 62.998 63.200 0.118 0.000 0.797 218 S HN 0.471 nan 8.310 nan 0.000 0.493 219 L N 1.015 122.346 121.223 0.181 0.000 2.141 219 L HA -0.010 4.316 4.340 -0.023 0.000 0.209 219 L C 1.924 178.921 176.870 0.212 0.000 1.094 219 L CA 1.608 56.546 54.840 0.163 0.000 0.763 219 L CB -0.933 41.239 42.059 0.188 0.000 0.908 219 L HN 0.374 nan 8.230 nan 0.000 0.437 220 Y N 0.209 120.603 120.300 0.155 0.000 2.207 220 Y HA -0.276 4.260 4.550 -0.023 0.000 0.287 220 Y C 2.516 178.606 175.900 0.316 0.000 1.156 220 Y CA 2.460 60.677 58.100 0.194 0.000 1.182 220 Y CB -0.410 38.132 38.460 0.137 0.000 0.979 220 Y HN 0.428 nan 8.280 nan 0.000 0.521 221 T N -3.282 111.431 114.554 0.264 0.000 3.044 221 T HA 0.046 4.382 4.350 -0.023 0.000 0.255 221 T C 0.222 174.940 174.700 0.030 0.000 1.073 221 T CA 0.559 62.765 62.100 0.176 0.000 1.125 221 T CB 0.011 69.069 68.868 0.316 0.000 0.908 221 T HN 0.251 nan 8.240 nan 0.000 0.480 222 D N 1.651 122.076 120.400 0.042 0.000 2.389 222 D HA 0.393 5.020 4.640 -0.023 0.000 0.256 222 D C -2.455 173.803 176.300 -0.071 0.000 1.239 222 D CA -2.585 51.403 54.000 -0.021 0.000 0.925 222 D CB 1.979 42.834 40.800 0.091 0.000 1.145 222 D HN -0.086 nan 8.370 nan 0.000 0.542 223 P HA -0.064 nan 4.420 nan 0.000 0.228 223 P C 0.898 178.077 177.300 -0.202 0.000 1.151 223 P CA 0.890 63.889 63.100 -0.168 0.000 0.770 223 P CB 0.287 31.857 31.700 -0.218 0.000 0.786 224 Q N -1.616 118.032 119.800 -0.254 0.000 2.444 224 Q HA 0.043 4.369 4.340 -0.023 0.000 0.206 224 Q C 0.128 175.993 176.000 -0.224 0.000 0.948 224 Q CA 0.458 56.047 55.803 -0.357 0.000 0.946 224 Q CB -0.280 28.003 28.738 -0.757 0.000 1.027 224 Q HN 0.200 nan 8.270 nan 0.000 0.513 225 T N 1.381 115.876 114.554 -0.099 0.000 2.853 225 T HA 0.077 4.413 4.350 -0.023 0.000 0.298 225 T C 0.859 175.516 174.700 -0.071 0.000 0.978 225 T CA 0.343 62.441 62.100 -0.004 0.000 1.152 225 T CB 0.739 69.641 68.868 0.058 0.000 0.914 225 T HN 0.103 nan 8.240 nan 0.000 0.539 226 K N 2.347 122.702 120.400 -0.074 0.000 2.373 226 K HA 0.342 4.648 4.320 -0.023 0.000 0.200 226 K C 0.237 176.900 176.600 0.106 0.000 1.054 226 K CA 0.061 56.260 56.287 -0.148 0.000 1.065 226 K CB 0.725 32.885 32.500 -0.567 0.000 0.886 226 K HN 0.540 nan 8.250 nan 0.000 0.546 227 M N -0.214 119.461 119.600 0.124 0.000 2.534 227 M HA 0.346 4.812 4.480 -0.023 0.000 0.280 227 M C -1.772 174.587 176.300 0.098 0.000 1.217 227 M CA -0.616 54.783 55.300 0.164 0.000 0.893 227 M CB 2.351 35.051 32.600 0.166 0.000 1.730 227 M HN 0.043 nan 8.290 nan 0.000 0.483 228 G N 3.181 112.026 108.800 0.075 0.000 2.415 228 G HA2 0.726 4.672 3.960 -0.023 0.000 0.327 228 G HA3 0.726 4.672 3.960 -0.023 0.000 0.327 228 G C -1.935 172.976 174.900 0.019 0.000 1.182 228 G CA -0.574 44.542 45.100 0.028 0.000 0.924 228 G HN 0.821 nan 8.290 nan 0.000 0.470 229 I N 2.230 122.799 120.570 -0.002 0.000 2.607 229 I HA 0.449 4.605 4.170 -0.023 0.000 0.290 229 I C -1.357 174.763 176.117 0.005 0.000 1.129 229 I CA -1.193 60.126 61.300 0.031 0.000 1.042 229 I CB 1.885 39.937 38.000 0.087 0.000 1.242 229 I HN 0.153 nan 8.210 nan 0.000 0.421 230 I N 8.348 128.942 120.570 0.041 0.000 2.354 230 I HA 0.400 4.557 4.170 -0.023 0.000 0.292 230 I C -0.324 175.846 176.117 0.089 0.000 0.989 230 I CA -0.616 60.709 61.300 0.042 0.000 1.188 230 I CB 1.359 39.375 38.000 0.027 0.000 1.342 230 I HN 0.415 nan 8.210 nan 0.000 0.457 231 I N 6.011 126.623 120.570 0.069 0.000 2.537 231 I HA 0.604 4.760 4.170 -0.023 0.000 0.276 231 I C 0.542 176.669 176.117 0.016 0.000 1.063 231 I CA 0.057 61.390 61.300 0.055 0.000 1.144 231 I CB 1.437 39.464 38.000 0.045 0.000 1.252 231 I HN 0.703 nan 8.210 nan 0.000 0.480 232 G N 2.394 111.212 108.800 0.031 0.000 3.100 232 G HA2 0.206 4.152 3.960 -0.023 0.000 0.174 232 G HA3 0.206 4.152 3.960 -0.023 0.000 0.174 232 G C 0.449 175.372 174.900 0.039 0.000 1.136 232 G CA 0.052 45.168 45.100 0.027 0.000 0.881 232 G HN 0.232 nan 8.290 nan 0.000 0.616 233 T N 0.526 115.097 114.554 0.029 0.000 2.746 233 T HA 0.162 4.499 4.350 -0.023 0.000 0.267 233 T C 1.261 175.964 174.700 0.005 0.000 1.039 233 T CA 1.579 63.684 62.100 0.008 0.000 1.142 233 T CB -0.470 68.369 68.868 -0.047 0.000 0.866 233 T HN 0.685 nan 8.240 nan 0.000 0.444 234 G N 0.457 109.264 108.800 0.012 0.000 2.552 234 G HA2 0.588 4.534 3.960 -0.023 0.000 0.324 234 G HA3 0.588 4.534 3.960 -0.023 0.000 0.324 234 G C -1.012 173.938 174.900 0.084 0.000 1.217 234 G CA -0.534 44.594 45.100 0.046 0.000 0.989 234 G HN 0.404 nan 8.290 nan 0.000 0.490 235 V N -1.606 118.389 119.914 0.134 0.000 2.962 235 V HA 0.914 5.020 4.120 -0.023 0.000 0.313 235 V C -0.895 175.339 176.094 0.232 0.000 1.099 235 V CA -1.112 61.310 62.300 0.203 0.000 0.971 235 V CB 1.952 33.925 31.823 0.249 0.000 1.028 235 V HN 0.840 nan 8.190 nan 0.000 0.430 236 N N 0.485 119.292 118.700 0.179 0.000 3.127 236 N HA 0.778 5.505 4.740 -0.023 0.000 0.239 236 N C -0.795 174.500 175.510 -0.358 0.000 1.407 236 N CA 0.354 53.314 53.050 -0.151 0.000 0.891 236 N CB 2.241 40.661 38.487 -0.111 0.000 1.447 236 N HN 1.439 nan 8.380 nan 0.000 0.507 237 G N -0.598 107.727 108.800 -0.793 0.000 2.706 237 G HA2 0.854 4.801 3.960 -0.023 0.000 0.297 237 G HA3 0.854 4.801 3.960 -0.023 0.000 0.297 237 G C -1.763 173.007 174.900 -0.217 0.000 1.403 237 G CA -0.201 44.645 45.100 -0.424 0.000 0.954 237 G HN 0.637 nan 8.290 nan 0.000 0.500 238 A N 0.411 123.211 122.820 -0.033 0.000 2.475 238 A HA 0.998 5.304 4.320 -0.023 0.000 0.301 238 A C -1.113 176.543 177.584 0.119 0.000 1.059 238 A CA -0.793 51.237 52.037 -0.012 0.000 0.710 238 A CB 1.462 20.397 19.000 -0.108 0.000 1.288 238 A HN 2.069 nan 8.150 nan 0.000 0.408 239 Y N -1.476 118.774 120.300 -0.084 0.000 2.725 239 Y HA 0.721 5.259 4.550 -0.020 0.000 0.333 239 Y C -1.931 173.950 175.900 -0.031 0.000 1.242 239 Y CA -1.540 56.572 58.100 0.020 0.000 1.059 239 Y CB 0.795 39.342 38.460 0.145 0.000 1.306 239 Y HN 0.532 nan 8.280 nan 0.000 0.454 240 Y N 2.135 122.445 120.300 0.018 0.000 2.326 240 Y HA 0.338 4.874 4.550 -0.023 0.000 0.337 240 Y C 0.312 176.213 175.900 0.000 0.000 1.023 240 Y CA -0.082 57.985 58.100 -0.054 0.000 1.143 240 Y CB 1.013 39.634 38.460 0.268 0.000 1.183 240 Y HN 0.692 nan 8.280 nan 0.000 0.485 241 D N 0.911 121.267 120.400 -0.074 0.000 2.560 241 D HA 0.465 5.092 4.640 -0.023 0.000 0.277 241 D C -1.248 175.117 176.300 0.108 0.000 1.194 241 D CA -0.274 53.782 54.000 0.093 0.000 1.092 241 D CB 2.068 42.873 40.800 0.009 0.000 1.169 241 D HN 0.344 nan 8.370 nan 0.000 0.607 242 V N 0.769 120.726 119.914 0.071 0.000 2.789 242 V HA 0.198 4.304 4.120 -0.023 0.000 0.311 242 V C 1.154 177.253 176.094 0.009 0.000 1.073 242 V CA -0.598 61.732 62.300 0.049 0.000 0.921 242 V CB 1.800 33.662 31.823 0.065 0.000 1.009 242 V HN 0.437 nan 8.190 nan 0.000 0.426 243 V N 4.472 124.381 119.914 -0.008 0.000 2.392 243 V HA -0.172 3.934 4.120 -0.023 0.000 0.249 243 V C 2.517 178.607 176.094 -0.006 0.000 1.059 243 V CA 2.816 65.103 62.300 -0.022 0.000 1.051 243 V CB -0.488 31.327 31.823 -0.013 0.000 0.658 243 V HN 1.136 nan 8.190 nan 0.000 0.455 244 S N 0.457 116.161 115.700 0.007 0.000 2.469 244 S HA -0.067 4.389 4.470 -0.023 0.000 0.238 244 S C 1.749 176.357 174.600 0.012 0.000 0.998 244 S CA 1.122 59.329 58.200 0.011 0.000 0.957 244 S CB -0.418 62.791 63.200 0.015 0.000 0.764 244 S HN 0.594 nan 8.310 nan 0.000 0.514 245 G N 0.632 109.440 108.800 0.014 0.000 3.141 245 G HA2 0.426 4.372 3.960 -0.023 0.000 0.218 245 G HA3 0.426 4.372 3.960 -0.023 0.000 0.218 245 G C 0.320 175.228 174.900 0.013 0.000 1.170 245 G CA -0.360 44.752 45.100 0.020 0.000 0.769 245 G HN 0.587 nan 8.290 nan 0.000 0.546 246 I N 0.674 121.243 120.570 -0.003 0.000 2.621 246 I HA 0.191 4.347 4.170 -0.023 0.000 0.276 246 I C 1.123 177.236 176.117 -0.006 0.000 1.118 246 I CA -0.311 60.980 61.300 -0.015 0.000 1.159 246 I CB 1.507 39.473 38.000 -0.056 0.000 1.357 246 I HN 0.102 nan 8.210 nan 0.000 0.513 247 E N 5.117 125.320 120.200 0.004 0.000 2.160 247 E HA -0.233 4.103 4.350 -0.023 0.000 0.195 247 E C 1.854 178.461 176.600 0.011 0.000 0.991 247 E CA 1.460 57.865 56.400 0.009 0.000 0.810 247 E CB 0.293 30.000 29.700 0.011 0.000 0.742 247 E HN 0.670 nan 8.360 nan 0.000 0.466 248 K N 0.072 120.477 120.400 0.008 0.000 2.515 248 K HA -0.088 4.218 4.320 -0.023 0.000 0.196 248 K C 1.695 178.309 176.600 0.025 0.000 1.038 248 K CA 0.804 57.100 56.287 0.015 0.000 0.967 248 K CB -0.012 32.495 32.500 0.012 0.000 0.780 248 K HN 0.216 nan 8.250 nan 0.000 0.483 249 L N 1.350 122.585 121.223 0.020 0.000 2.607 249 L HA 0.143 4.469 4.340 -0.023 0.000 0.228 249 L C 0.096 176.995 176.870 0.048 0.000 1.123 249 L CA -0.224 54.644 54.840 0.046 0.000 0.890 249 L CB 0.051 42.127 42.059 0.029 0.000 1.103 249 L HN 0.191 nan 8.230 nan 0.000 0.468 250 E N 0.660 120.879 120.200 0.031 0.000 2.480 250 E HA 0.112 4.448 4.350 -0.023 0.000 0.258 250 E C 1.105 177.724 176.600 0.031 0.000 0.984 250 E CA 0.780 57.197 56.400 0.028 0.000 0.930 250 E CB 0.395 30.107 29.700 0.020 0.000 0.936 250 E HN 0.341 nan 8.360 nan 0.000 0.466 251 G N 2.833 111.652 108.800 0.031 0.000 2.217 251 G HA2 -0.299 3.647 3.960 -0.023 0.000 0.246 251 G HA3 -0.299 3.647 3.960 -0.023 0.000 0.246 251 G C 0.707 175.626 174.900 0.033 0.000 0.990 251 G CA 0.192 45.308 45.100 0.027 0.000 0.627 251 G HN 0.509 nan 8.290 nan 0.000 0.522 252 L N 0.249 121.501 121.223 0.050 0.000 2.616 252 L HA 0.470 4.796 4.340 -0.023 0.000 0.229 252 L C 0.997 177.910 176.870 0.073 0.000 1.110 252 L CA 0.022 54.898 54.840 0.061 0.000 0.884 252 L CB 0.173 42.285 42.059 0.090 0.000 1.115 252 L HN 0.128 nan 8.230 nan 0.000 0.481 253 L N 1.365 122.635 121.223 0.078 0.000 2.322 253 L HA 0.426 4.752 4.340 -0.023 0.000 0.279 253 L C -2.060 174.842 176.870 0.053 0.000 1.036 253 L CA -1.931 52.964 54.840 0.090 0.000 0.807 253 L CB 1.262 43.389 42.059 0.113 0.000 1.226 253 L HN -0.201 nan 8.230 nan 0.000 0.433 254 P HA 0.088 nan 4.420 nan 0.000 0.274 254 P C -0.055 177.262 177.300 0.028 0.000 1.237 254 P CA -0.319 62.795 63.100 0.023 0.000 0.793 254 P CB 0.835 32.541 31.700 0.010 0.000 0.977 255 E N 0.435 120.646 120.200 0.018 0.000 2.209 255 E HA -0.206 4.130 4.350 -0.023 0.000 0.196 255 E C 1.063 177.674 176.600 0.018 0.000 0.993 255 E CA 1.455 57.865 56.400 0.017 0.000 0.819 255 E CB -0.172 29.534 29.700 0.011 0.000 0.745 255 E HN 0.592 nan 8.360 nan 0.000 0.477 256 D N 0.189 120.600 120.400 0.018 0.000 2.340 256 D HA -0.066 4.561 4.640 -0.023 0.000 0.220 256 D C 0.476 176.792 176.300 0.027 0.000 1.039 256 D CA 0.229 54.240 54.000 0.017 0.000 0.866 256 D CB -0.013 40.794 40.800 0.011 0.000 0.913 256 D HN 0.177 nan 8.370 nan 0.000 0.523 257 I N 1.297 121.892 120.570 0.043 0.000 2.620 257 I HA 0.352 4.508 4.170 -0.023 0.000 0.280 257 I C 0.927 177.070 176.117 0.043 0.000 1.143 257 I CA -0.826 60.509 61.300 0.058 0.000 1.163 257 I CB 1.193 39.262 38.000 0.116 0.000 1.461 257 I HN -0.116 nan 8.210 nan 0.000 0.530 258 G N 4.389 113.204 108.800 0.024 0.000 2.616 258 G HA2 0.235 4.181 3.960 -0.023 0.000 0.268 258 G HA3 0.235 4.181 3.960 -0.023 0.000 0.268 258 G C -1.405 173.504 174.900 0.015 0.000 1.213 258 G CA -0.922 44.188 45.100 0.018 0.000 0.926 258 G HN 0.273 nan 8.290 nan 0.000 0.523 259 P HA -0.087 nan 4.420 nan 0.000 0.218 259 P C 0.548 177.855 177.300 0.011 0.000 1.146 259 P CA 1.139 64.247 63.100 0.013 0.000 0.813 259 P CB 0.303 32.011 31.700 0.013 0.000 0.778 260 D N -1.134 119.272 120.400 0.010 0.000 2.339 260 D HA 0.053 4.680 4.640 -0.023 0.000 0.217 260 D C 0.339 176.638 176.300 -0.002 0.000 1.050 260 D CA 0.269 54.275 54.000 0.011 0.000 0.856 260 D CB -0.214 40.594 40.800 0.012 0.000 0.922 260 D HN 0.035 nan 8.370 nan 0.000 0.518 261 S N 2.371 118.064 115.700 -0.011 0.000 2.537 261 S HA 0.122 4.579 4.470 -0.023 0.000 0.286 261 S C -2.243 172.331 174.600 -0.044 0.000 1.299 261 S CA -0.857 57.322 58.200 -0.035 0.000 1.067 261 S CB 0.931 64.121 63.200 -0.017 0.000 0.864 261 S HN 0.046 nan 8.310 nan 0.000 0.494 262 P HA 0.255 nan 4.420 nan 0.000 0.269 262 P C -0.622 176.681 177.300 0.005 0.000 1.215 262 P CA -0.301 62.752 63.100 -0.080 0.000 0.780 262 P CB 0.421 31.831 31.700 -0.482 0.000 0.898 263 M N 2.037 121.684 119.600 0.077 0.000 2.206 263 M HA 0.560 5.026 4.480 -0.023 0.000 0.272 263 M C -1.312 174.888 176.300 -0.168 0.000 1.012 263 M CA -0.756 54.502 55.300 -0.070 0.000 0.986 263 M CB 1.306 33.791 32.600 -0.191 0.000 1.740 263 M HN 0.343 nan 8.290 nan 0.000 0.472 264 A N 5.449 128.072 122.820 -0.329 0.000 2.511 264 A HA 0.594 4.900 4.320 -0.023 0.000 0.242 264 A C -0.491 176.788 177.584 -0.507 0.000 1.069 264 A CA -0.031 51.617 52.037 -0.649 0.000 0.763 264 A CB -0.105 18.480 19.000 -0.691 0.000 1.001 264 A HN 0.771 nan 8.150 nan 0.000 0.498 265 I N 2.640 122.861 120.570 -0.581 0.000 2.406 265 I HA 0.197 4.353 4.170 -0.023 0.000 0.290 265 I C -0.214 175.725 176.117 -0.295 0.000 0.999 265 I CA -0.688 60.344 61.300 -0.447 0.000 1.124 265 I CB 1.555 39.244 38.000 -0.519 0.000 1.289 265 I HN 0.750 nan 8.210 nan 0.000 0.441 266 N N 4.894 123.474 118.700 -0.199 0.000 2.462 266 N HA 0.155 4.881 4.740 -0.023 0.000 0.242 266 N C 0.632 176.090 175.510 -0.086 0.000 1.010 266 N CA -0.261 52.707 53.050 -0.136 0.000 0.939 266 N CB 0.970 39.389 38.487 -0.114 0.000 1.127 266 N HN 0.569 nan 8.380 nan 0.000 0.509 267 C N 1.811 121.066 119.300 -0.075 0.000 2.446 267 C HA 0.034 4.480 4.460 -0.023 0.000 0.277 267 C C 0.560 175.560 174.990 0.018 0.000 1.275 267 C CA 0.121 59.144 59.018 0.009 0.000 1.727 267 C CB -0.984 26.764 27.740 0.013 0.000 2.010 267 C HN 0.784 nan 8.230 nan 0.000 0.486 268 E N -0.092 120.072 120.200 -0.060 0.000 2.360 268 E HA -0.228 4.108 4.350 -0.023 0.000 0.238 268 E C -0.018 176.702 176.600 0.199 0.000 1.186 268 E CA 0.719 57.137 56.400 0.030 0.000 0.719 268 E CB -1.811 27.911 29.700 0.037 0.000 1.236 268 E HN 0.962 nan 8.360 nan 0.000 0.386 269 Y N -1.879 118.553 120.300 0.219 0.000 2.553 269 Y HA 0.376 4.913 4.550 -0.022 0.000 0.303 269 Y C 1.791 177.931 175.900 0.400 0.000 1.194 269 Y CA -0.042 58.227 58.100 0.281 0.000 1.305 269 Y CB -0.986 37.691 38.460 0.362 0.000 1.045 269 Y HN 0.028 nan 8.280 nan 0.000 0.514 270 G N 0.761 109.967 108.800 0.677 0.000 2.499 270 G HA2 -0.287 3.659 3.960 -0.023 0.000 0.221 270 G HA3 -0.287 3.659 3.960 -0.023 0.000 0.221 270 G C 1.561 176.681 174.900 0.367 0.000 1.109 270 G CA 1.226 46.629 45.100 0.506 0.000 0.749 270 G HN 0.561 nan 8.290 nan 0.000 0.568 271 S N -0.535 115.330 115.700 0.274 0.000 2.575 271 S HA 0.271 4.728 4.470 -0.023 0.000 0.215 271 S C 0.649 175.297 174.600 0.081 0.000 0.966 271 S CA -0.831 57.456 58.200 0.144 0.000 0.911 271 S CB -0.254 63.003 63.200 0.095 0.000 0.780 271 S HN 0.216 nan 8.310 nan 0.000 0.514 272 F N 4.109 124.028 119.950 -0.053 0.000 2.623 272 F HA 0.191 4.703 4.527 -0.024 0.000 0.383 272 F C 0.802 176.476 175.800 -0.210 0.000 1.077 272 F CA 0.204 58.002 58.000 -0.336 0.000 1.268 272 F CB -0.333 38.057 39.000 -1.017 0.000 1.053 272 F HN 0.331 nan 8.300 nan 0.000 0.571 273 D N 3.769 123.545 120.400 -1.040 0.000 2.723 273 D HA -0.274 4.352 4.640 -0.023 0.000 0.236 273 D C 0.646 176.683 176.300 -0.438 0.000 1.138 273 D CA 0.985 54.452 54.000 -0.888 0.000 0.676 273 D CB -1.343 38.707 40.800 -1.251 0.000 1.069 273 D HN 0.690 nan 8.370 nan 0.000 0.430 274 N N 0.097 118.592 118.700 -0.340 0.000 2.348 274 N HA -0.127 4.599 4.740 -0.023 0.000 0.185 274 N C 1.286 176.392 175.510 -0.675 0.000 1.019 274 N CA 1.176 53.992 53.050 -0.390 0.000 0.880 274 N CB -0.017 38.323 38.487 -0.244 0.000 0.965 274 N HN 0.543 nan 8.380 nan 0.000 0.437 275 E N -0.551 119.384 120.200 -0.442 0.000 2.347 275 E HA -0.033 4.303 4.350 -0.023 0.000 0.196 275 E C -0.384 176.052 176.600 -0.272 0.000 1.008 275 E CA 0.249 56.440 56.400 -0.348 0.000 0.852 275 E CB -0.328 29.234 29.700 -0.231 0.000 0.783 275 E HN 0.498 nan 8.360 nan 0.000 0.505 276 H N -1.587 117.369 119.070 -0.191 0.000 2.819 276 H HA -0.159 4.383 4.556 -0.022 0.000 0.315 276 H C 0.320 175.551 175.328 -0.162 0.000 1.242 276 H CA 0.185 56.133 56.048 -0.166 0.000 1.157 276 H CB -1.571 28.120 29.762 -0.118 0.000 1.451 276 H HN 0.178 nan 8.280 nan 0.000 0.430 277 L N -1.234 119.925 121.223 -0.107 0.000 2.642 277 L HA 0.122 4.448 4.340 -0.023 0.000 0.233 277 L C 1.612 178.381 176.870 -0.168 0.000 1.077 277 L CA 0.309 55.066 54.840 -0.138 0.000 0.879 277 L CB 0.599 42.559 42.059 -0.165 0.000 1.151 277 L HN 0.208 nan 8.230 nan 0.000 0.495 278 V N -0.696 119.104 119.914 -0.190 0.000 3.029 278 V HA 0.139 4.246 4.120 -0.023 0.000 0.230 278 V C 0.988 177.053 176.094 -0.050 0.000 1.254 278 V CA -0.178 62.030 62.300 -0.152 0.000 1.276 278 V CB 0.765 32.472 31.823 -0.193 0.000 1.080 278 V HN 0.055 nan 8.190 nan 0.000 0.495 279 L N 3.557 124.747 121.223 -0.055 0.000 2.514 279 L HA 0.129 4.456 4.340 -0.023 0.000 0.280 279 L C -1.830 175.039 176.870 -0.001 0.000 1.223 279 L CA -0.757 54.105 54.840 0.036 0.000 0.864 279 L CB -0.071 42.027 42.059 0.065 0.000 1.118 279 L HN 0.206 nan 8.230 nan 0.000 0.494 280 P HA 0.145 nan 4.420 nan 0.000 0.225 280 P C -0.521 176.738 177.300 -0.068 0.000 1.813 280 P CA -0.238 62.844 63.100 -0.031 0.000 1.013 280 P CB -0.004 31.687 31.700 -0.016 0.000 1.961 281 R N 0.655 121.105 120.500 -0.084 0.000 2.694 281 R HA 0.279 4.605 4.340 -0.023 0.000 0.268 281 R C 1.183 177.389 176.300 -0.156 0.000 1.061 281 R CA 0.292 56.324 56.100 -0.114 0.000 1.133 281 R CB 0.213 30.421 30.300 -0.154 0.000 1.020 281 R HN 0.323 nan 8.270 nan 0.000 0.475 282 T N -2.404 112.050 114.554 -0.167 0.000 2.937 282 T HA 0.197 4.533 4.350 -0.023 0.000 0.283 282 T C 1.117 175.662 174.700 -0.257 0.000 1.012 282 T CA -1.008 60.956 62.100 -0.226 0.000 0.997 282 T CB 1.403 70.148 68.868 -0.205 0.000 1.136 282 T HN 0.660 nan 8.240 nan 0.000 0.551 283 K N -0.296 119.845 120.400 -0.432 0.000 2.147 283 K HA -0.177 4.129 4.320 -0.023 0.000 0.205 283 K C 1.483 177.860 176.600 -0.371 0.000 1.049 283 K CA 1.511 57.538 56.287 -0.432 0.000 0.936 283 K CB -0.754 31.444 32.500 -0.502 0.000 0.722 283 K HN 0.636 nan 8.250 nan 0.000 0.446 284 Y N 2.550 122.840 120.300 -0.017 0.000 2.200 284 Y HA -0.128 4.408 4.550 -0.023 0.000 0.290 284 Y C 1.997 177.896 175.900 -0.001 0.000 1.137 284 Y CA 1.186 59.298 58.100 0.021 0.000 1.163 284 Y CB -0.540 37.980 38.460 0.101 0.000 0.988 284 Y HN 0.148 nan 8.280 nan 0.000 0.518 285 D N -0.243 120.213 120.400 0.093 0.000 2.144 285 D HA -0.133 4.493 4.640 -0.023 0.000 0.200 285 D C 2.332 178.589 176.300 -0.071 0.000 0.978 285 D CA 1.296 55.297 54.000 0.002 0.000 0.833 285 D CB -0.296 40.480 40.800 -0.040 0.000 0.961 285 D HN 0.217 nan 8.370 nan 0.000 0.470 286 V N 1.579 121.427 119.914 -0.111 0.000 2.295 286 V HA -0.231 3.876 4.120 -0.023 0.000 0.246 286 V C 2.577 178.634 176.094 -0.063 0.000 1.049 286 V CA 1.158 63.380 62.300 -0.130 0.000 1.024 286 V CB -0.348 31.385 31.823 -0.150 0.000 0.648 286 V HN 0.160 nan 8.190 nan 0.000 0.447 287 I N -0.511 120.042 120.570 -0.030 0.000 2.179 287 I HA -0.269 3.888 4.170 -0.023 0.000 0.242 287 I C 2.296 178.437 176.117 0.040 0.000 1.088 287 I CA 1.809 63.117 61.300 0.012 0.000 1.357 287 I CB -0.305 37.719 38.000 0.040 0.000 1.051 287 I HN 0.231 nan 8.210 nan 0.000 0.409 288 I N 0.662 121.261 120.570 0.049 0.000 2.163 288 I HA -0.357 3.799 4.170 -0.023 0.000 0.243 288 I C 2.264 178.431 176.117 0.082 0.000 1.085 288 I CA 1.886 63.242 61.300 0.093 0.000 1.347 288 I CB -0.428 37.614 38.000 0.070 0.000 1.044 288 I HN 0.301 nan 8.210 nan 0.000 0.408 289 D N 0.812 121.215 120.400 0.004 0.000 2.097 289 D HA -0.212 4.414 4.640 -0.023 0.000 0.195 289 D C 2.083 178.411 176.300 0.047 0.000 0.989 289 D CA 1.467 55.472 54.000 0.008 0.000 0.827 289 D CB 0.005 40.775 40.800 -0.051 0.000 0.966 289 D HN 0.300 nan 8.370 nan 0.000 0.456 290 E N -0.207 120.012 120.200 0.031 0.000 2.153 290 E HA -0.152 4.184 4.350 -0.023 0.000 0.194 290 E C 1.643 178.282 176.600 0.064 0.000 0.988 290 E CA 0.827 57.250 56.400 0.040 0.000 0.811 290 E CB -0.025 29.687 29.700 0.019 0.000 0.746 290 E HN 0.520 nan 8.360 nan 0.000 0.466 291 E N 0.698 120.952 120.200 0.090 0.000 2.474 291 E HA 0.006 4.342 4.350 -0.023 0.000 0.195 291 E C 0.511 177.208 176.600 0.161 0.000 1.039 291 E CA -0.159 56.312 56.400 0.119 0.000 0.881 291 E CB 0.520 30.299 29.700 0.131 0.000 0.970 291 E HN 0.059 nan 8.360 nan 0.000 0.486 292 S N 0.797 116.596 115.700 0.164 0.000 2.614 292 S HA 0.133 4.589 4.470 -0.023 0.000 0.265 292 S C -1.729 172.943 174.600 0.119 0.000 1.303 292 S CA -1.222 57.088 58.200 0.183 0.000 1.000 292 S CB 1.029 64.347 63.200 0.196 0.000 0.935 292 S HN -0.237 nan 8.310 nan 0.000 0.551 293 P HA -0.017 nan 4.420 nan 0.000 0.218 293 P C 0.073 177.411 177.300 0.063 0.000 1.148 293 P CA 1.157 64.298 63.100 0.068 0.000 0.822 293 P CB 0.041 31.768 31.700 0.046 0.000 0.784 294 R N -1.129 119.414 120.500 0.071 0.000 2.547 294 R HA 0.313 4.640 4.340 -0.023 0.000 0.280 294 R C -2.659 173.681 176.300 0.066 0.000 1.630 294 R CA -1.864 54.272 56.100 0.061 0.000 1.470 294 R CB 1.072 31.405 30.300 0.056 0.000 1.178 294 R HN 0.065 nan 8.270 nan 0.000 0.591 295 P HA -0.007 nan 4.420 nan 0.000 0.266 295 P C 0.780 178.124 177.300 0.073 0.000 1.195 295 P CA 0.955 64.098 63.100 0.071 0.000 0.768 295 P CB 0.882 32.619 31.700 0.060 0.000 0.838 296 G N 0.546 109.416 108.800 0.117 0.000 2.184 296 G HA2 -0.207 3.739 3.960 -0.023 0.000 0.264 296 G HA3 -0.207 3.739 3.960 -0.023 0.000 0.264 296 G C 0.117 175.024 174.900 0.012 0.000 0.975 296 G CA -0.146 45.007 45.100 0.087 0.000 0.642 296 G HN 0.524 nan 8.290 nan 0.000 0.536 297 Q N -0.638 119.191 119.800 0.047 0.000 2.241 297 Q HA 0.567 4.893 4.340 -0.023 0.000 0.262 297 Q C 0.725 176.764 176.000 0.065 0.000 1.014 297 Q CA -0.660 55.165 55.803 0.037 0.000 0.885 297 Q CB 0.869 29.632 28.738 0.042 0.000 1.311 297 Q HN 0.320 nan 8.270 nan 0.000 0.461 298 Q N -0.485 119.359 119.800 0.073 0.000 2.434 298 Q HA -0.269 4.057 4.340 -0.023 0.000 0.299 298 Q C 0.721 176.783 176.000 0.103 0.000 1.286 298 Q CA 0.846 56.714 55.803 0.108 0.000 0.872 298 Q CB -2.024 26.784 28.738 0.117 0.000 1.193 298 Q HN 0.819 nan 8.270 nan 0.000 0.466 299 A N -0.122 122.757 122.820 0.097 0.000 1.892 299 A HA -0.204 4.102 4.320 -0.023 0.000 0.218 299 A C 1.566 179.231 177.584 0.134 0.000 1.188 299 A CA 1.702 53.803 52.037 0.107 0.000 0.631 299 A CB -0.564 18.502 19.000 0.111 0.000 0.822 299 A HN 0.447 nan 8.150 nan 0.000 0.447 300 F N 0.571 120.540 119.950 0.032 0.000 2.186 300 F HA -0.068 4.445 4.527 -0.023 0.000 0.299 300 F C 2.138 178.018 175.800 0.133 0.000 1.090 300 F CA 1.794 59.854 58.000 0.101 0.000 1.307 300 F CB -0.426 38.682 39.000 0.181 0.000 1.019 300 F HN 0.453 nan 8.300 nan 0.000 0.489 301 E N 0.337 120.599 120.200 0.103 0.000 2.058 301 E HA -0.272 4.064 4.350 -0.023 0.000 0.194 301 E C 2.110 178.734 176.600 0.040 0.000 0.997 301 E CA 1.676 58.115 56.400 0.066 0.000 0.801 301 E CB -0.119 29.687 29.700 0.177 0.000 0.746 301 E HN 0.394 nan 8.360 nan 0.000 0.450 302 K N -0.493 119.866 120.400 -0.069 0.000 2.280 302 K HA -0.079 4.227 4.320 -0.023 0.000 0.202 302 K C 1.819 178.281 176.600 -0.231 0.000 1.047 302 K CA 1.187 57.230 56.287 -0.406 0.000 0.942 302 K CB 0.039 32.281 32.500 -0.431 0.000 0.739 302 K HN 0.294 nan 8.250 nan 0.000 0.457 303 M N -0.340 119.199 119.600 -0.102 0.000 2.441 303 M HA 0.010 4.476 4.480 -0.023 0.000 0.244 303 M C 1.226 177.491 176.300 -0.058 0.000 1.122 303 M CA 0.849 56.124 55.300 -0.042 0.000 1.041 303 M CB 0.585 33.192 32.600 0.012 0.000 1.438 303 M HN 0.183 nan 8.290 nan 0.000 0.484 304 T N -4.552 109.926 114.554 -0.125 0.000 2.993 304 T HA 0.124 4.460 4.350 -0.023 0.000 0.260 304 T C 0.795 175.497 174.700 0.002 0.000 0.939 304 T CA -0.173 61.851 62.100 -0.126 0.000 0.886 304 T CB 0.213 68.833 68.868 -0.414 0.000 1.209 304 T HN 0.124 nan 8.240 nan 0.000 0.518 305 S N 0.660 116.428 115.700 0.113 0.000 2.576 305 S HA 0.486 4.942 4.470 -0.023 0.000 0.276 305 S C 1.725 176.429 174.600 0.173 0.000 1.339 305 S CA 0.103 58.411 58.200 0.179 0.000 1.039 305 S CB 0.681 64.079 63.200 0.330 0.000 0.902 305 S HN 0.483 nan 8.310 nan 0.000 0.516 306 G N 2.318 111.172 108.800 0.091 0.000 2.534 306 G HA2 -0.140 3.806 3.960 -0.023 0.000 0.217 306 G HA3 -0.140 3.806 3.960 -0.023 0.000 0.217 306 G C 1.010 175.968 174.900 0.096 0.000 1.128 306 G CA 0.498 45.639 45.100 0.068 0.000 0.784 306 G HN 0.889 nan 8.290 nan 0.000 0.542 307 Y N 0.657 120.907 120.300 -0.083 0.000 2.256 307 Y HA -0.150 4.387 4.550 -0.022 0.000 0.288 307 Y C 1.746 177.514 175.900 -0.220 0.000 1.155 307 Y CA 1.249 59.194 58.100 -0.259 0.000 1.203 307 Y CB 0.011 38.146 38.460 -0.542 0.000 0.980 307 Y HN 0.335 nan 8.280 nan 0.000 0.530 308 Y N -1.457 118.914 120.300 0.118 0.000 2.458 308 Y HA 0.116 4.652 4.550 -0.024 0.000 0.256 308 Y C 1.838 177.743 175.900 0.009 0.000 1.159 308 Y CA -0.146 58.003 58.100 0.082 0.000 1.261 308 Y CB -0.028 38.533 38.460 0.169 0.000 1.119 308 Y HN 0.010 nan 8.280 nan 0.000 0.524 309 L N -0.573 120.729 121.223 0.131 0.000 2.046 309 L HA -0.133 4.193 4.340 -0.023 0.000 0.208 309 L C 2.607 179.501 176.870 0.040 0.000 1.077 309 L CA 1.532 56.422 54.840 0.083 0.000 0.747 309 L CB -0.954 41.148 42.059 0.072 0.000 0.896 309 L HN 0.367 nan 8.230 nan 0.000 0.432 310 G N -0.152 108.657 108.800 0.015 0.000 2.418 310 G HA2 -0.316 3.630 3.960 -0.023 0.000 0.217 310 G HA3 -0.316 3.630 3.960 -0.023 0.000 0.217 310 G C 1.485 176.300 174.900 -0.142 0.000 1.158 310 G CA 0.931 46.000 45.100 -0.052 0.000 0.771 310 G HN 0.352 nan 8.290 nan 0.000 0.545 311 E N 0.545 120.639 120.200 -0.177 0.000 2.106 311 E HA -0.028 4.308 4.350 -0.023 0.000 0.192 311 E C 2.385 178.908 176.600 -0.129 0.000 0.984 311 E CA 0.585 56.815 56.400 -0.283 0.000 0.806 311 E CB -0.334 29.072 29.700 -0.489 0.000 0.750 311 E HN 0.517 nan 8.360 nan 0.000 0.458 312 I N 0.078 120.630 120.570 -0.030 0.000 2.127 312 I HA -0.323 3.833 4.170 -0.023 0.000 0.241 312 I C 2.481 178.539 176.117 -0.098 0.000 1.075 312 I CA 1.436 62.741 61.300 0.008 0.000 1.334 312 I CB -0.313 37.729 38.000 0.070 0.000 1.040 312 I HN 0.216 nan 8.210 nan 0.000 0.405 313 M N -0.344 119.192 119.600 -0.106 0.000 2.149 313 M HA -0.235 4.232 4.480 -0.023 0.000 0.261 313 M C 2.494 178.742 176.300 -0.087 0.000 1.064 313 M CA 1.616 56.850 55.300 -0.110 0.000 1.102 313 M CB -0.552 32.030 32.600 -0.030 0.000 1.369 313 M HN 0.182 nan 8.290 nan 0.000 0.408 314 R N 1.108 121.543 120.500 -0.108 0.000 2.073 314 R HA -0.132 4.194 4.340 -0.023 0.000 0.234 314 R C 1.989 178.253 176.300 -0.059 0.000 1.134 314 R CA 1.435 57.474 56.100 -0.100 0.000 0.952 314 R CB -0.264 29.926 30.300 -0.184 0.000 0.850 314 R HN 0.360 nan 8.270 nan 0.000 0.433 315 L N 0.111 121.291 121.223 -0.070 0.000 2.056 315 L HA -0.145 4.181 4.340 -0.023 0.000 0.207 315 L C 2.470 179.286 176.870 -0.091 0.000 1.078 315 L CA 0.806 55.647 54.840 0.001 0.000 0.749 315 L CB -0.336 41.789 42.059 0.110 0.000 0.901 315 L HN 0.070 nan 8.230 nan 0.000 0.433 316 V N 0.302 119.981 119.914 -0.391 0.000 2.255 316 V HA -0.308 3.798 4.120 -0.023 0.000 0.247 316 V C 2.420 178.420 176.094 -0.157 0.000 1.051 316 V CA 1.823 63.788 62.300 -0.559 0.000 1.018 316 V CB -0.439 31.057 31.823 -0.545 0.000 0.641 316 V HN 0.344 nan 8.190 nan 0.000 0.445 317 L N -0.851 120.333 121.223 -0.064 0.000 2.079 317 L HA -0.203 4.123 4.340 -0.023 0.000 0.210 317 L C 2.453 179.387 176.870 0.107 0.000 1.081 317 L CA 1.311 56.174 54.840 0.038 0.000 0.752 317 L CB -0.630 41.552 42.059 0.205 0.000 0.896 317 L HN 0.342 nan 8.230 nan 0.000 0.433 318 L N 0.155 121.450 121.223 0.120 0.000 2.093 318 L HA -0.209 4.117 4.340 -0.023 0.000 0.208 318 L C 2.018 179.019 176.870 0.218 0.000 1.085 318 L CA 1.825 56.771 54.840 0.175 0.000 0.755 318 L CB -0.533 41.593 42.059 0.112 0.000 0.904 318 L HN 0.188 nan 8.230 nan 0.000 0.435 319 D N -0.824 119.686 120.400 0.183 0.000 2.117 319 D HA -0.206 4.421 4.640 -0.023 0.000 0.197 319 D C 2.158 178.574 176.300 0.194 0.000 0.987 319 D CA 1.499 55.630 54.000 0.218 0.000 0.829 319 D CB -0.072 40.931 40.800 0.339 0.000 0.961 319 D HN 0.418 nan 8.370 nan 0.000 0.460 320 L N -0.675 120.641 121.223 0.155 0.000 2.156 320 L HA -0.103 4.223 4.340 -0.023 0.000 0.208 320 L C 2.201 179.160 176.870 0.148 0.000 1.095 320 L CA 0.726 55.670 54.840 0.173 0.000 0.770 320 L CB -0.511 41.569 42.059 0.036 0.000 0.914 320 L HN 0.162 nan 8.230 nan 0.000 0.439 321 Y N 1.122 121.425 120.300 0.004 0.000 2.145 321 Y HA -0.284 4.252 4.550 -0.023 0.000 0.286 321 Y C 2.252 178.170 175.900 0.029 0.000 1.145 321 Y CA 1.754 59.861 58.100 0.011 0.000 1.148 321 Y CB -0.176 38.335 38.460 0.086 0.000 0.981 321 Y HN 0.183 nan 8.280 nan 0.000 0.507 322 D N -0.517 119.915 120.400 0.053 0.000 2.178 322 D HA -0.141 4.485 4.640 -0.023 0.000 0.201 322 D C 2.120 178.342 176.300 -0.131 0.000 0.980 322 D CA 1.593 55.569 54.000 -0.040 0.000 0.842 322 D CB -0.207 40.660 40.800 0.111 0.000 0.948 322 D HN 0.337 nan 8.370 nan 0.000 0.472 323 S N -0.889 114.775 115.700 -0.061 0.000 2.555 323 S HA 0.165 4.622 4.470 -0.023 0.000 0.230 323 S C 1.633 175.982 174.600 -0.420 0.000 0.978 323 S CA 0.711 58.840 58.200 -0.118 0.000 0.934 323 S CB 0.431 63.723 63.200 0.153 0.000 0.766 323 S HN 0.472 nan 8.310 nan 0.000 0.533 324 G N 0.251 108.804 108.800 -0.412 0.000 2.157 324 G HA2 -0.263 3.683 3.960 -0.023 0.000 0.248 324 G HA3 -0.263 3.683 3.960 -0.023 0.000 0.248 324 G C 0.485 175.105 174.900 -0.468 0.000 0.979 324 G CA 0.161 44.976 45.100 -0.476 0.000 0.650 324 G HN 0.521 nan 8.290 nan 0.000 0.529 325 F N 0.643 120.512 119.950 -0.136 0.000 2.387 325 F HA 0.428 4.941 4.527 -0.023 0.000 0.294 325 F C 1.719 177.442 175.800 -0.128 0.000 1.093 325 F CA 1.092 59.026 58.000 -0.112 0.000 1.420 325 F CB 0.181 39.118 39.000 -0.105 0.000 1.086 325 F HN 0.463 nan 8.300 nan 0.000 0.531 326 I N -6.157 114.412 120.570 -0.002 0.000 2.969 326 I HA 0.410 4.567 4.170 -0.023 0.000 0.307 326 I C -0.723 175.398 176.117 0.007 0.000 1.149 326 I CA -1.228 59.982 61.300 -0.150 0.000 1.008 326 I CB 1.900 39.571 38.000 -0.549 0.000 1.232 326 I HN -0.092 nan 8.210 nan 0.000 0.435 327 F N 0.526 120.583 119.950 0.178 0.000 3.080 327 F HA -0.188 4.325 4.527 -0.023 0.000 0.292 327 F C 0.273 176.232 175.800 0.266 0.000 0.891 327 F CA 0.066 58.192 58.000 0.211 0.000 1.086 327 F CB -2.402 36.740 39.000 0.237 0.000 1.095 327 F HN 0.611 nan 8.300 nan 0.000 0.633 328 K N 1.264 121.842 120.400 0.297 0.000 2.368 328 K HA 0.251 4.558 4.320 -0.023 0.000 0.282 328 K C 0.860 177.576 176.600 0.193 0.000 1.035 328 K CA 0.411 56.808 56.287 0.183 0.000 0.973 328 K CB 0.406 32.943 32.500 0.062 0.000 0.957 328 K HN 0.216 nan 8.250 nan 0.000 0.474 329 D N 0.534 121.052 120.400 0.197 0.000 2.839 329 D HA -0.147 4.479 4.640 -0.023 0.000 0.194 329 D C -0.250 176.127 176.300 0.129 0.000 0.988 329 D CA 1.157 55.237 54.000 0.134 0.000 1.009 329 D CB -0.361 40.493 40.800 0.090 0.000 1.067 329 D HN 0.504 nan 8.370 nan 0.000 0.444 330 Q N 0.505 120.411 119.800 0.176 0.000 2.212 330 Q HA 0.326 4.652 4.340 -0.023 0.000 0.238 330 Q C 0.014 176.042 176.000 0.046 0.000 0.955 330 Q CA -0.148 55.710 55.803 0.091 0.000 0.906 330 Q CB 0.890 29.666 28.738 0.063 0.000 1.215 330 Q HN 0.059 nan 8.270 nan 0.000 0.478 331 D N 1.796 122.187 120.400 -0.016 0.000 2.411 331 D HA 0.145 4.772 4.640 -0.023 0.000 0.225 331 D C 0.312 176.544 176.300 -0.114 0.000 1.156 331 D CA -0.423 53.548 54.000 -0.049 0.000 0.874 331 D CB 0.266 41.043 40.800 -0.039 0.000 1.034 331 D HN 0.378 nan 8.370 nan 0.000 0.502 332 I N 0.878 121.333 120.570 -0.192 0.000 3.812 332 I HA 0.084 4.241 4.170 -0.023 0.000 0.319 332 I C 1.540 177.544 176.117 -0.188 0.000 1.353 332 I CA -0.349 60.800 61.300 -0.252 0.000 1.170 332 I CB -0.747 36.965 38.000 -0.480 0.000 1.057 332 I HN 0.089 nan 8.210 nan 0.000 0.411 333 S N 0.431 116.054 115.700 -0.128 0.000 2.400 333 S HA -0.153 4.304 4.470 -0.023 0.000 0.232 333 S C 1.858 176.404 174.600 -0.090 0.000 1.025 333 S CA 0.847 58.992 58.200 -0.091 0.000 0.993 333 S CB -0.456 62.709 63.200 -0.059 0.000 0.808 333 S HN 0.474 nan 8.310 nan 0.000 0.478 334 K N 0.818 121.154 120.400 -0.106 0.000 2.097 334 K HA 0.131 4.438 4.320 -0.023 0.000 0.206 334 K C 1.847 178.367 176.600 -0.134 0.000 1.049 334 K CA 0.559 56.776 56.287 -0.116 0.000 0.933 334 K CB -0.707 31.715 32.500 -0.130 0.000 0.717 334 K HN 0.298 nan 8.250 nan 0.000 0.442 335 L N 1.605 122.748 121.223 -0.133 0.000 2.349 335 L HA -0.139 4.187 4.340 -0.023 0.000 0.220 335 L C 1.578 178.395 176.870 -0.089 0.000 1.130 335 L CA 1.622 56.396 54.840 -0.110 0.000 0.791 335 L CB -0.319 41.707 42.059 -0.054 0.000 0.918 335 L HN 0.053 nan 8.230 nan 0.000 0.444 336 K N -0.616 119.737 120.400 -0.079 0.000 2.426 336 K HA -0.002 4.304 4.320 -0.023 0.000 0.193 336 K C 0.501 177.072 176.600 -0.048 0.000 1.028 336 K CA -0.017 56.240 56.287 -0.051 0.000 1.047 336 K CB 0.196 32.674 32.500 -0.037 0.000 0.821 336 K HN 0.277 nan 8.250 nan 0.000 0.513 337 E N 1.612 121.771 120.200 -0.068 0.000 2.130 337 E HA 0.243 4.579 4.350 -0.023 0.000 0.284 337 E C -0.942 175.613 176.600 -0.075 0.000 1.018 337 E CA -0.551 55.817 56.400 -0.053 0.000 0.817 337 E CB 0.894 30.561 29.700 -0.054 0.000 1.078 337 E HN 0.125 nan 8.360 nan 0.000 0.396 338 A N 4.450 127.246 122.820 -0.040 0.000 2.546 338 A HA 0.016 4.322 4.320 -0.023 0.000 0.243 338 A C -0.360 177.208 177.584 -0.026 0.000 1.063 338 A CA 0.428 52.415 52.037 -0.082 0.000 0.757 338 A CB -0.469 18.568 19.000 0.062 0.000 0.991 338 A HN 0.963 nan 8.150 nan 0.000 0.503 339 Y N -0.408 119.832 120.300 -0.101 0.000 4.841 339 Y HA -0.251 4.286 4.550 -0.023 0.000 0.242 339 Y C 1.520 177.318 175.900 -0.170 0.000 1.002 339 Y CA 0.831 58.836 58.100 -0.160 0.000 2.011 339 Y CB -2.139 36.239 38.460 -0.138 0.000 1.554 339 Y HN 0.489 nan 8.280 nan 0.000 0.618 340 V N 0.410 120.241 119.914 -0.138 0.000 2.490 340 V HA -0.195 3.911 4.120 -0.023 0.000 0.250 340 V C 1.250 177.133 176.094 -0.351 0.000 1.061 340 V CA 2.292 64.481 62.300 -0.185 0.000 1.064 340 V CB -0.132 31.572 31.823 -0.198 0.000 0.670 340 V HN 0.319 nan 8.190 nan 0.000 0.461 341 M N 1.871 121.174 119.600 -0.495 0.000 2.080 341 M HA 0.285 4.751 4.480 -0.023 0.000 0.350 341 M C -0.272 175.839 176.300 -0.315 0.000 1.143 341 M CA -0.552 54.259 55.300 -0.814 0.000 1.064 341 M CB 0.825 32.912 32.600 -0.855 0.000 1.429 341 M HN 0.384 nan 8.290 nan 0.000 0.418 342 D N 1.375 121.733 120.400 -0.070 0.000 2.440 342 D HA 0.144 4.770 4.640 -0.023 0.000 0.269 342 D C 0.758 177.133 176.300 0.125 0.000 1.249 342 D CA -0.426 53.592 54.000 0.030 0.000 1.055 342 D CB 0.232 41.073 40.800 0.069 0.000 1.104 342 D HN 0.391 nan 8.370 nan 0.000 0.561 343 T N -1.003 113.613 114.554 0.103 0.000 2.929 343 T HA -0.141 4.195 4.350 -0.023 0.000 0.271 343 T C 1.746 176.552 174.700 0.176 0.000 1.085 343 T CA 1.583 63.777 62.100 0.157 0.000 1.125 343 T CB -0.508 68.453 68.868 0.154 0.000 0.874 343 T HN 0.579 nan 8.240 nan 0.000 0.494 344 S N 0.462 116.250 115.700 0.147 0.000 2.447 344 S HA -0.114 4.342 4.470 -0.023 0.000 0.233 344 S C 1.659 176.269 174.600 0.015 0.000 1.006 344 S CA 0.463 58.691 58.200 0.046 0.000 0.957 344 S CB -0.647 62.544 63.200 -0.014 0.000 0.773 344 S HN 0.493 nan 8.310 nan 0.000 0.507 345 Y N 3.036 123.339 120.300 0.005 0.000 2.092 345 Y HA 0.062 4.598 4.550 -0.023 0.000 0.282 345 Y C -0.189 175.742 175.900 0.052 0.000 1.126 345 Y CA 1.146 59.255 58.100 0.015 0.000 1.111 345 Y CB -1.810 36.640 38.460 -0.017 0.000 0.987 345 Y HN 0.270 nan 8.280 nan 0.000 0.489 346 P HA -0.166 nan 4.420 nan 0.000 0.219 346 P C 1.747 179.079 177.300 0.054 0.000 1.146 346 P CA 1.950 65.168 63.100 0.196 0.000 0.808 346 P CB 0.019 31.895 31.700 0.293 0.000 0.779 347 S N 0.182 115.857 115.700 -0.041 0.000 2.343 347 S HA -0.142 4.315 4.470 -0.023 0.000 0.219 347 S C 1.988 176.477 174.600 -0.184 0.000 1.033 347 S CA 1.429 59.456 58.200 -0.289 0.000 1.014 347 S CB -0.595 62.482 63.200 -0.205 0.000 0.915 347 S HN 0.056 nan 8.310 nan 0.000 0.435 348 K N 0.301 120.635 120.400 -0.110 0.000 2.097 348 K HA -0.008 4.299 4.320 -0.023 0.000 0.206 348 K C 2.030 178.600 176.600 -0.051 0.000 1.049 348 K CA 1.578 57.809 56.287 -0.093 0.000 0.933 348 K CB -0.313 32.118 32.500 -0.116 0.000 0.717 348 K HN 0.447 nan 8.250 nan 0.000 0.442 349 I N 1.134 121.700 120.570 -0.008 0.000 2.202 349 I HA -0.239 3.917 4.170 -0.023 0.000 0.242 349 I C 2.136 178.248 176.117 -0.008 0.000 1.091 349 I CA 1.274 62.593 61.300 0.032 0.000 1.368 349 I CB -0.188 37.872 38.000 0.100 0.000 1.058 349 I HN 0.177 nan 8.210 nan 0.000 0.410 350 E N 0.513 120.691 120.200 -0.036 0.000 2.204 350 E HA -0.227 4.109 4.350 -0.023 0.000 0.195 350 E C 1.196 177.746 176.600 -0.083 0.000 0.990 350 E CA 1.007 57.373 56.400 -0.056 0.000 0.821 350 E CB -0.097 29.553 29.700 -0.083 0.000 0.750 350 E HN 0.454 nan 8.360 nan 0.000 0.477 351 D N 0.920 121.256 120.400 -0.106 0.000 2.355 351 D HA -0.063 4.563 4.640 -0.023 0.000 0.218 351 D C 0.230 176.461 176.300 -0.115 0.000 1.004 351 D CA 0.332 54.265 54.000 -0.112 0.000 0.880 351 D CB -0.145 40.584 40.800 -0.119 0.000 0.911 351 D HN 0.016 nan 8.370 nan 0.000 0.528 352 D N 1.074 121.425 120.400 -0.081 0.000 2.434 352 D HA -0.032 4.594 4.640 -0.023 0.000 0.252 352 D C -1.589 174.601 176.300 -0.185 0.000 1.185 352 D CA -1.200 52.756 54.000 -0.074 0.000 0.886 352 D CB 1.515 42.325 40.800 0.017 0.000 1.148 352 D HN 0.083 nan 8.370 nan 0.000 0.483 353 P HA 0.095 nan 4.420 nan 0.000 0.261 353 P C -0.167 176.828 177.300 -0.508 0.000 1.268 353 P CA -0.130 62.666 63.100 -0.507 0.000 0.833 353 P CB 0.070 31.357 31.700 -0.688 0.000 1.231 354 F N 0.815 120.755 119.950 -0.017 0.000 2.399 354 F HA 0.234 4.747 4.527 -0.023 0.000 0.334 354 F C 1.877 177.667 175.800 -0.015 0.000 1.097 354 F CA -0.791 57.200 58.000 -0.015 0.000 1.076 354 F CB 1.038 40.028 39.000 -0.016 0.000 1.162 354 F HN -0.305 nan 8.300 nan 0.000 0.495 355 E N 1.379 121.689 120.200 0.182 0.000 2.153 355 E HA -0.176 4.160 4.350 -0.023 0.000 0.194 355 E C 1.425 178.076 176.600 0.086 0.000 0.988 355 E CA 1.069 57.524 56.400 0.093 0.000 0.811 355 E CB -0.336 29.403 29.700 0.066 0.000 0.746 355 E HN 0.615 nan 8.360 nan 0.000 0.466 356 N N 1.068 119.832 118.700 0.106 0.000 2.383 356 N HA -0.079 4.647 4.740 -0.023 0.000 0.192 356 N C 0.538 176.085 175.510 0.062 0.000 1.141 356 N CA -0.005 53.077 53.050 0.053 0.000 0.851 356 N CB -0.346 38.146 38.487 0.009 0.000 0.976 356 N HN 0.097 nan 8.380 nan 0.000 0.465 357 L N 0.036 121.340 121.223 0.135 0.000 3.601 357 L HA -0.187 4.139 4.340 -0.023 0.000 0.469 357 L C 1.290 178.222 176.870 0.104 0.000 1.294 357 L CA 0.322 55.237 54.840 0.124 0.000 0.829 357 L CB -0.977 41.109 42.059 0.045 0.000 1.628 357 L HN 0.288 nan 8.230 nan 0.000 0.868 358 E N 0.314 120.589 120.200 0.124 0.000 2.152 358 E HA -0.161 4.175 4.350 -0.023 0.000 0.192 358 E C 1.262 177.902 176.600 0.067 0.000 0.983 358 E CA 1.475 57.867 56.400 -0.014 0.000 0.818 358 E CB 0.266 29.812 29.700 -0.257 0.000 0.758 358 E HN 0.608 nan 8.360 nan 0.000 0.467 359 D N -0.261 120.261 120.400 0.203 0.000 2.117 359 D HA -0.117 4.510 4.640 -0.023 0.000 0.197 359 D C 1.818 178.172 176.300 0.091 0.000 0.987 359 D CA 1.455 55.540 54.000 0.143 0.000 0.829 359 D CB -0.435 40.450 40.800 0.142 0.000 0.961 359 D HN 0.152 nan 8.370 nan 0.000 0.460 360 T N 0.457 115.069 114.554 0.096 0.000 2.777 360 T HA -0.155 4.181 4.350 -0.023 0.000 0.266 360 T C 1.486 176.256 174.700 0.116 0.000 1.040 360 T CA 1.342 63.505 62.100 0.106 0.000 1.141 360 T CB -0.256 68.635 68.868 0.037 0.000 0.868 360 T HN 0.084 nan 8.240 nan 0.000 0.444 361 D N 1.121 121.552 120.400 0.051 0.000 2.092 361 D HA -0.132 4.494 4.640 -0.023 0.000 0.193 361 D C 1.961 178.306 176.300 0.075 0.000 0.994 361 D CA 1.214 55.237 54.000 0.038 0.000 0.828 361 D CB -0.435 40.366 40.800 0.002 0.000 0.963 361 D HN 0.225 nan 8.370 nan 0.000 0.450 362 D N -1.012 119.419 120.400 0.051 0.000 2.144 362 D HA -0.133 4.493 4.640 -0.023 0.000 0.199 362 D C 2.120 178.445 176.300 0.041 0.000 0.984 362 D CA 0.525 54.544 54.000 0.032 0.000 0.834 362 D CB -0.302 40.505 40.800 0.011 0.000 0.955 362 D HN 0.217 nan 8.370 nan 0.000 0.465 363 L N -0.510 120.750 121.223 0.062 0.000 1.989 363 L HA -0.117 4.210 4.340 -0.023 0.000 0.211 363 L C 2.016 178.924 176.870 0.063 0.000 1.071 363 L CA 1.723 56.570 54.840 0.012 0.000 0.749 363 L CB -0.924 41.131 42.059 -0.006 0.000 0.890 363 L HN 0.003 nan 8.230 nan 0.000 0.431 364 F N 0.091 120.030 119.950 -0.018 0.000 2.186 364 F HA -0.147 4.366 4.527 -0.023 0.000 0.299 364 F C 2.465 178.231 175.800 -0.056 0.000 1.090 364 F CA 1.532 59.518 58.000 -0.023 0.000 1.307 364 F CB -0.447 38.516 39.000 -0.061 0.000 1.019 364 F HN 0.070 nan 8.300 nan 0.000 0.489 365 K N -0.730 119.739 120.400 0.115 0.000 2.031 365 K HA -0.088 4.218 4.320 -0.023 0.000 0.205 365 K C 2.037 178.638 176.600 0.001 0.000 1.049 365 K CA 1.797 58.105 56.287 0.035 0.000 0.939 365 K CB -0.526 31.988 32.500 0.024 0.000 0.717 365 K HN 0.151 nan 8.250 nan 0.000 0.438 366 T N 1.251 115.805 114.554 -0.001 0.000 2.777 366 T HA -0.059 4.278 4.350 -0.023 0.000 0.266 366 T C 1.435 176.119 174.700 -0.028 0.000 1.040 366 T CA 1.392 63.481 62.100 -0.018 0.000 1.141 366 T CB -0.107 68.748 68.868 -0.022 0.000 0.868 366 T HN 0.155 nan 8.240 nan 0.000 0.444 367 N N 0.203 118.882 118.700 -0.036 0.000 2.415 367 N HA 0.258 4.985 4.740 -0.023 0.000 0.174 367 N C 1.294 176.779 175.510 -0.042 0.000 1.048 367 N CA 0.402 53.438 53.050 -0.022 0.000 0.895 367 N CB 0.158 38.648 38.487 0.004 0.000 1.036 367 N HN 0.281 nan 8.380 nan 0.000 0.449 368 L N -0.439 120.727 121.223 -0.095 0.000 2.817 368 L HA 0.291 4.617 4.340 -0.023 0.000 0.248 368 L C -0.456 176.339 176.870 -0.124 0.000 1.133 368 L CA 0.009 54.753 54.840 -0.159 0.000 0.935 368 L CB -0.103 41.755 42.059 -0.336 0.000 1.266 368 L HN 0.079 nan 8.230 nan 0.000 0.535 369 N N 0.543 119.196 118.700 -0.079 0.000 2.747 369 N HA -0.181 4.545 4.740 -0.023 0.000 0.249 369 N C -0.473 174.992 175.510 -0.075 0.000 1.107 369 N CA 0.257 53.270 53.050 -0.062 0.000 0.707 369 N CB -1.234 37.218 38.487 -0.059 0.000 1.054 369 N HN 0.274 nan 8.380 nan 0.000 0.555 370 I N 0.822 121.345 120.570 -0.079 0.000 2.418 370 I HA 0.196 4.352 4.170 -0.023 0.000 0.287 370 I C 0.252 176.329 176.117 -0.065 0.000 1.008 370 I CA -0.600 60.621 61.300 -0.132 0.000 1.104 370 I CB 1.440 39.261 38.000 -0.298 0.000 1.264 370 I HN 0.035 nan 8.210 nan 0.000 0.438 371 E N 4.746 124.912 120.200 -0.058 0.000 2.313 371 E HA 0.304 4.640 4.350 -0.023 0.000 0.276 371 E C -0.348 176.241 176.600 -0.018 0.000 1.031 371 E CA -0.229 56.158 56.400 -0.020 0.000 0.857 371 E CB 1.321 31.021 29.700 0.000 0.000 1.040 371 E HN 0.609 nan 8.360 nan 0.000 0.408 372 T N -0.722 113.830 114.554 -0.004 0.000 2.924 372 T HA 0.439 4.775 4.350 -0.023 0.000 0.291 372 T C 0.264 174.987 174.700 0.038 0.000 1.045 372 T CA -1.083 61.038 62.100 0.036 0.000 1.015 372 T CB 1.593 70.436 68.868 -0.040 0.000 1.103 372 T HN 0.436 nan 8.240 nan 0.000 0.496 373 T N -1.077 113.515 114.554 0.064 0.000 2.874 373 T HA 0.341 4.678 4.350 -0.023 0.000 0.281 373 T C 1.386 176.092 174.700 0.009 0.000 0.994 373 T CA -0.349 61.771 62.100 0.033 0.000 1.015 373 T CB 1.217 70.109 68.868 0.039 0.000 1.028 373 T HN 0.562 nan 8.240 nan 0.000 0.523 374 V N 1.925 121.839 119.914 0.000 0.000 2.407 374 V HA -0.157 3.949 4.120 -0.023 0.000 0.248 374 V C 2.571 178.656 176.094 -0.014 0.000 1.055 374 V CA 2.448 64.743 62.300 -0.009 0.000 1.049 374 V CB -0.828 30.992 31.823 -0.005 0.000 0.662 374 V HN 0.837 nan 8.190 nan 0.000 0.455 375 V N -1.832 118.076 119.914 -0.010 0.000 2.427 375 V HA -0.218 3.888 4.120 -0.023 0.000 0.248 375 V C 2.276 178.350 176.094 -0.033 0.000 1.051 375 V CA 2.179 64.466 62.300 -0.021 0.000 1.048 375 V CB -1.195 30.618 31.823 -0.016 0.000 0.666 375 V HN 0.639 nan 8.190 nan 0.000 0.456 376 E N 0.637 120.827 120.200 -0.016 0.000 2.058 376 E HA -0.210 4.126 4.350 -0.023 0.000 0.194 376 E C 2.478 179.042 176.600 -0.061 0.000 0.997 376 E CA 1.800 58.187 56.400 -0.023 0.000 0.801 376 E CB -0.250 29.496 29.700 0.076 0.000 0.746 376 E HN 0.595 nan 8.360 nan 0.000 0.450 377 R N 0.765 121.224 120.500 -0.069 0.000 2.115 377 R HA -0.085 4.241 4.340 -0.023 0.000 0.230 377 R C 2.200 178.454 176.300 -0.076 0.000 1.111 377 R CA 0.970 57.004 56.100 -0.110 0.000 0.976 377 R CB -0.106 30.144 30.300 -0.083 0.000 0.870 377 R HN 0.086 nan 8.270 nan 0.000 0.445 378 K N 0.815 121.182 120.400 -0.054 0.000 2.097 378 K HA -0.101 4.205 4.320 -0.023 0.000 0.205 378 K C 2.152 178.715 176.600 -0.063 0.000 1.050 378 K CA 0.827 57.085 56.287 -0.048 0.000 0.938 378 K CB -0.150 32.325 32.500 -0.042 0.000 0.718 378 K HN 0.148 nan 8.250 nan 0.000 0.442 379 L N 1.278 122.453 121.223 -0.079 0.000 2.046 379 L HA -0.181 4.145 4.340 -0.023 0.000 0.208 379 L C 2.103 178.922 176.870 -0.085 0.000 1.077 379 L CA 1.336 56.119 54.840 -0.095 0.000 0.747 379 L CB -0.142 41.847 42.059 -0.117 0.000 0.896 379 L HN 0.128 nan 8.230 nan 0.000 0.432 380 I N -0.306 120.213 120.570 -0.085 0.000 2.163 380 I HA -0.310 3.846 4.170 -0.023 0.000 0.243 380 I C 2.760 178.858 176.117 -0.031 0.000 1.085 380 I CA 1.304 62.566 61.300 -0.062 0.000 1.347 380 I CB -0.330 37.583 38.000 -0.145 0.000 1.044 380 I HN 0.311 nan 8.210 nan 0.000 0.408 381 R N 1.803 122.281 120.500 -0.036 0.000 2.073 381 R HA -0.218 4.108 4.340 -0.023 0.000 0.234 381 R C 2.142 178.431 176.300 -0.020 0.000 1.134 381 R CA 1.859 57.950 56.100 -0.014 0.000 0.952 381 R CB -0.490 29.801 30.300 -0.014 0.000 0.850 381 R HN 0.076 nan 8.270 nan 0.000 0.433 382 K N 0.166 120.545 120.400 -0.036 0.000 2.063 382 K HA -0.138 4.168 4.320 -0.023 0.000 0.208 382 K C 1.899 178.465 176.600 -0.058 0.000 1.048 382 K CA 1.717 57.982 56.287 -0.037 0.000 0.928 382 K CB -0.720 31.751 32.500 -0.049 0.000 0.713 382 K HN 0.257 nan 8.250 nan 0.000 0.442 383 L N 0.332 121.504 121.223 -0.086 0.000 2.046 383 L HA -0.018 4.309 4.340 -0.023 0.000 0.208 383 L C 2.126 178.905 176.870 -0.153 0.000 1.077 383 L CA 2.220 56.962 54.840 -0.164 0.000 0.747 383 L CB -1.074 40.890 42.059 -0.159 0.000 0.896 383 L HN 0.244 nan 8.230 nan 0.000 0.432 384 A N -0.699 122.091 122.820 -0.049 0.000 1.908 384 A HA -0.246 4.060 4.320 -0.023 0.000 0.218 384 A C 2.164 179.775 177.584 0.045 0.000 1.181 384 A CA 1.932 53.981 52.037 0.020 0.000 0.627 384 A CB -0.684 18.361 19.000 0.075 0.000 0.818 384 A HN 0.630 nan 8.150 nan 0.000 0.445 385 E N -0.200 120.017 120.200 0.028 0.000 2.077 385 E HA -0.148 4.188 4.350 -0.023 0.000 0.193 385 E C 1.965 178.579 176.600 0.024 0.000 0.989 385 E CA 1.167 57.598 56.400 0.051 0.000 0.800 385 E CB -0.314 29.404 29.700 0.031 0.000 0.746 385 E HN 0.630 nan 8.360 nan 0.000 0.452 386 L N 0.476 121.677 121.223 -0.036 0.000 2.046 386 L HA -0.192 4.135 4.340 -0.023 0.000 0.208 386 L C 2.463 179.289 176.870 -0.074 0.000 1.077 386 L CA 0.778 55.590 54.840 -0.047 0.000 0.747 386 L CB -0.375 41.616 42.059 -0.113 0.000 0.896 386 L HN 0.061 nan 8.230 nan 0.000 0.432 387 V N -0.072 119.737 119.914 -0.175 0.000 2.358 387 V HA -0.157 3.949 4.120 -0.023 0.000 0.246 387 V C 2.547 178.621 176.094 -0.033 0.000 1.047 387 V CA 1.943 64.156 62.300 -0.146 0.000 1.035 387 V CB -0.958 30.748 31.823 -0.196 0.000 0.658 387 V HN 0.556 nan 8.190 nan 0.000 0.452 388 G N -0.762 108.044 108.800 0.010 0.000 2.403 388 G HA2 -0.186 3.761 3.960 -0.023 0.000 0.216 388 G HA3 -0.186 3.761 3.960 -0.023 0.000 0.216 388 G C 1.691 176.585 174.900 -0.010 0.000 1.154 388 G CA 1.370 46.429 45.100 -0.067 0.000 0.784 388 G HN 0.463 nan 8.290 nan 0.000 0.538 389 T N 0.067 114.643 114.554 0.036 0.000 2.857 389 T HA -0.037 4.299 4.350 -0.023 0.000 0.266 389 T C 2.308 177.024 174.700 0.027 0.000 1.048 389 T CA 1.082 63.194 62.100 0.021 0.000 1.139 389 T CB -0.043 68.847 68.868 0.036 0.000 0.874 389 T HN 0.301 nan 8.240 nan 0.000 0.455 390 R N 1.011 121.551 120.500 0.066 0.000 2.081 390 R HA -0.028 4.298 4.340 -0.023 0.000 0.235 390 R C 2.586 178.938 176.300 0.086 0.000 1.131 390 R CA 1.399 57.562 56.100 0.105 0.000 0.960 390 R CB -0.451 29.968 30.300 0.199 0.000 0.856 390 R HN 0.350 nan 8.270 nan 0.000 0.436 391 A N 0.868 123.730 122.820 0.069 0.000 1.883 391 A HA -0.145 4.161 4.320 -0.023 0.000 0.217 391 A C 2.394 180.042 177.584 0.106 0.000 1.186 391 A CA 1.845 53.926 52.037 0.074 0.000 0.624 391 A CB -0.923 18.105 19.000 0.047 0.000 0.822 391 A HN 0.557 nan 8.150 nan 0.000 0.444 392 A N -0.396 122.453 122.820 0.049 0.000 1.902 392 A HA -0.173 4.133 4.320 -0.023 0.000 0.217 392 A C 2.255 179.815 177.584 -0.041 0.000 1.181 392 A CA 1.663 53.625 52.037 -0.124 0.000 0.623 392 A CB -0.441 18.254 19.000 -0.508 0.000 0.818 392 A HN 0.560 nan 8.150 nan 0.000 0.443 393 R N -0.661 119.833 120.500 -0.010 0.000 2.090 393 R HA 0.081 4.407 4.340 -0.023 0.000 0.228 393 R C 1.985 178.327 176.300 0.071 0.000 1.110 393 R CA 1.150 57.257 56.100 0.012 0.000 0.973 393 R CB -0.382 29.926 30.300 0.013 0.000 0.869 393 R HN 0.494 nan 8.270 nan 0.000 0.440 394 L N -0.256 121.038 121.223 0.118 0.000 2.141 394 L HA -0.121 4.205 4.340 -0.023 0.000 0.209 394 L C 2.138 179.191 176.870 0.305 0.000 1.094 394 L CA 1.159 56.136 54.840 0.228 0.000 0.763 394 L CB -0.496 41.699 42.059 0.226 0.000 0.908 394 L HN 0.206 nan 8.230 nan 0.000 0.437 395 T N -0.504 114.160 114.554 0.184 0.000 2.788 395 T HA -0.140 4.197 4.350 -0.023 0.000 0.268 395 T C 1.981 176.791 174.700 0.184 0.000 1.044 395 T CA 1.099 63.331 62.100 0.220 0.000 1.139 395 T CB -0.100 68.908 68.868 0.233 0.000 0.867 395 T HN 0.053 nan 8.240 nan 0.000 0.454 396 V N 0.860 120.842 119.914 0.114 0.000 2.594 396 V HA -0.191 3.915 4.120 -0.023 0.000 0.253 396 V C 2.685 178.760 176.094 -0.032 0.000 1.069 396 V CA 1.102 63.430 62.300 0.048 0.000 1.082 396 V CB -0.782 31.054 31.823 0.022 0.000 0.680 396 V HN 0.629 nan 8.190 nan 0.000 0.469 397 C N 0.543 119.833 119.300 -0.016 0.000 2.425 397 C HA -0.072 4.374 4.460 -0.023 0.000 0.277 397 C C 2.854 177.573 174.990 -0.452 0.000 1.280 397 C CA 0.868 59.808 59.018 -0.130 0.000 1.744 397 C CB -1.610 26.149 27.740 0.032 0.000 1.989 397 C HN 0.680 nan 8.230 nan 0.000 0.491 398 G N 0.216 108.706 108.800 -0.517 0.000 2.404 398 G HA2 -0.119 3.827 3.960 -0.023 0.000 0.215 398 G HA3 -0.119 3.827 3.960 -0.023 0.000 0.215 398 G C 1.682 176.234 174.900 -0.579 0.000 1.174 398 G CA 1.177 45.594 45.100 -1.139 0.000 0.780 398 G HN 0.372 nan 8.290 nan 0.000 0.537 399 V N 0.978 120.772 119.914 -0.200 0.000 2.252 399 V HA -0.220 3.886 4.120 -0.023 0.000 0.249 399 V C 3.039 179.088 176.094 -0.074 0.000 1.056 399 V CA 2.395 64.664 62.300 -0.052 0.000 1.022 399 V CB -0.680 31.179 31.823 0.061 0.000 0.641 399 V HN 0.486 nan 8.190 nan 0.000 0.445 400 S N -0.482 115.162 115.700 -0.092 0.000 2.399 400 S HA -0.149 4.307 4.470 -0.023 0.000 0.231 400 S C 2.067 176.579 174.600 -0.147 0.000 1.022 400 S CA 1.480 59.662 58.200 -0.029 0.000 0.983 400 S CB -0.297 62.812 63.200 -0.152 0.000 0.803 400 S HN 0.616 nan 8.310 nan 0.000 0.480 401 A N 1.302 123.908 122.820 -0.357 0.000 1.898 401 A HA 0.050 4.356 4.320 -0.023 0.000 0.216 401 A C 2.103 179.483 177.584 -0.340 0.000 1.181 401 A CA 1.379 53.175 52.037 -0.403 0.000 0.620 401 A CB -0.700 17.841 19.000 -0.765 0.000 0.819 401 A HN 0.611 nan 8.150 nan 0.000 0.442 402 I N -0.651 119.698 120.570 -0.368 0.000 2.179 402 I HA -0.317 3.839 4.170 -0.023 0.000 0.242 402 I C 2.543 178.482 176.117 -0.298 0.000 1.088 402 I CA 1.185 62.237 61.300 -0.413 0.000 1.357 402 I CB -0.421 37.344 38.000 -0.390 0.000 1.051 402 I HN 0.386 nan 8.210 nan 0.000 0.409 403 C N 0.667 119.914 119.300 -0.089 0.000 2.432 403 C HA -0.179 4.267 4.460 -0.023 0.000 0.277 403 C C 2.434 177.346 174.990 -0.131 0.000 1.249 403 C CA 0.918 59.938 59.018 0.002 0.000 1.725 403 C CB -1.041 26.800 27.740 0.169 0.000 2.028 403 C HN 0.524 nan 8.230 nan 0.000 0.477 404 D N 0.447 120.805 120.400 -0.069 0.000 2.144 404 D HA -0.109 4.517 4.640 -0.023 0.000 0.200 404 D C 2.167 178.382 176.300 -0.143 0.000 0.978 404 D CA 0.840 54.803 54.000 -0.061 0.000 0.833 404 D CB -0.508 40.279 40.800 -0.021 0.000 0.961 404 D HN 0.511 nan 8.370 nan 0.000 0.470 405 K N 0.488 120.768 120.400 -0.200 0.000 2.063 405 K HA -0.135 4.171 4.320 -0.023 0.000 0.208 405 K C 1.334 177.797 176.600 -0.228 0.000 1.048 405 K CA 1.018 57.188 56.287 -0.195 0.000 0.928 405 K CB 0.254 32.620 32.500 -0.223 0.000 0.713 405 K HN -0.053 nan 8.250 nan 0.000 0.442 406 R N -1.064 119.189 120.500 -0.412 0.000 2.362 406 R HA 0.094 4.421 4.340 -0.023 0.000 0.227 406 R C 0.879 176.888 176.300 -0.486 0.000 0.905 406 R CA 0.741 56.516 56.100 -0.542 0.000 1.067 406 R CB 0.536 30.178 30.300 -1.097 0.000 1.078 406 R HN 0.517 nan 8.270 nan 0.000 0.516 407 G N 1.300 109.915 108.800 -0.308 0.000 2.147 407 G HA2 -0.288 3.659 3.960 -0.023 0.000 0.244 407 G HA3 -0.288 3.659 3.960 -0.023 0.000 0.244 407 G C -0.549 174.350 174.900 -0.001 0.000 1.005 407 G CA -0.099 44.934 45.100 -0.112 0.000 0.713 407 G HN 0.210 nan 8.290 nan 0.000 0.515 408 Y N 0.475 120.772 120.300 -0.004 0.000 2.531 408 Y HA 0.407 4.943 4.550 -0.024 0.000 0.347 408 Y C 1.567 177.443 175.900 -0.039 0.000 1.024 408 Y CA -0.802 57.288 58.100 -0.016 0.000 1.306 408 Y CB 0.797 39.255 38.460 -0.004 0.000 1.149 408 Y HN 0.183 nan 8.280 nan 0.000 0.527 409 K N 0.913 121.372 120.400 0.098 0.000 2.367 409 K HA 0.091 4.397 4.320 -0.023 0.000 0.194 409 K C 0.252 176.831 176.600 -0.035 0.000 1.027 409 K CA 0.466 56.753 56.287 0.001 0.000 1.075 409 K CB 0.459 32.955 32.500 -0.006 0.000 0.845 409 K HN 0.689 nan 8.250 nan 0.000 0.529 410 T N -1.762 112.781 114.554 -0.019 0.000 2.909 410 T HA 0.795 5.131 4.350 -0.023 0.000 0.299 410 T C -1.073 173.597 174.700 -0.051 0.000 1.073 410 T CA -1.012 61.050 62.100 -0.063 0.000 0.999 410 T CB 2.374 71.179 68.868 -0.105 0.000 1.098 410 T HN 0.010 nan 8.240 nan 0.000 0.477 411 A N 1.610 124.418 122.820 -0.021 0.000 2.594 411 A HA 0.604 4.910 4.320 -0.023 0.000 0.296 411 A C -1.292 176.376 177.584 0.141 0.000 1.056 411 A CA -0.919 51.107 52.037 -0.019 0.000 0.693 411 A CB 0.736 19.741 19.000 0.009 0.000 1.278 411 A HN 1.022 nan 8.150 nan 0.000 0.408 412 H N 1.642 120.682 119.070 -0.050 0.000 2.489 412 H HA 0.438 4.980 4.556 -0.023 0.000 0.322 412 H C -0.620 174.707 175.328 -0.002 0.000 1.091 412 H CA -0.616 55.425 56.048 -0.012 0.000 1.291 412 H CB 1.252 31.001 29.762 -0.022 0.000 1.436 412 H HN 0.393 nan 8.280 nan 0.000 0.480 413 I N 2.917 123.558 120.570 0.118 0.000 2.330 413 I HA 0.170 4.327 4.170 -0.023 0.000 0.286 413 I C 0.363 176.473 176.117 -0.012 0.000 1.025 413 I CA -0.517 60.821 61.300 0.064 0.000 1.197 413 I CB 0.599 38.643 38.000 0.073 0.000 1.358 413 I HN 0.581 nan 8.210 nan 0.000 0.467 414 A N 6.033 128.852 122.820 -0.001 0.000 2.350 414 A HA 0.724 5.030 4.320 -0.023 0.000 0.293 414 A C 0.346 177.850 177.584 -0.134 0.000 1.231 414 A CA -0.268 51.745 52.037 -0.041 0.000 0.883 414 A CB 0.067 19.084 19.000 0.028 0.000 1.133 414 A HN 0.807 nan 8.150 nan 0.000 0.533 415 A N 2.755 125.380 122.820 -0.325 0.000 2.355 415 A HA 0.822 5.128 4.320 -0.023 0.000 0.324 415 A C -0.575 176.766 177.584 -0.406 0.000 1.117 415 A CA -0.450 51.249 52.037 -0.564 0.000 0.785 415 A CB 1.369 19.543 19.000 -1.378 0.000 1.254 415 A HN 0.790 nan 8.150 nan 0.000 0.453 416 D N -1.106 119.183 120.400 -0.185 0.000 2.677 416 D HA 0.655 5.281 4.640 -0.023 0.000 0.298 416 D C -0.317 176.040 176.300 0.096 0.000 1.250 416 D CA 0.930 54.962 54.000 0.053 0.000 0.888 416 D CB 1.840 42.665 40.800 0.041 0.000 1.397 416 D HN 1.803 nan 8.370 nan 0.000 0.461 417 G N -0.528 108.342 108.800 0.117 0.000 2.617 417 G HA2 0.080 4.026 3.960 -0.023 0.000 0.686 417 G HA3 0.080 4.026 3.960 -0.023 0.000 0.686 417 G C 0.694 175.651 174.900 0.095 0.000 1.214 417 G CA 0.475 45.627 45.100 0.086 0.000 0.796 417 G HN 0.919 nan 8.290 nan 0.000 0.654 418 S N -0.661 115.073 115.700 0.056 0.000 2.419 418 S HA -0.085 4.371 4.470 -0.023 0.000 0.233 418 S C 2.274 176.888 174.600 0.024 0.000 1.016 418 S CA 2.181 60.409 58.200 0.046 0.000 0.974 418 S CB -0.042 63.185 63.200 0.045 0.000 0.786 418 S HN 1.324 nan 8.310 nan 0.000 0.492 419 V N 0.878 120.772 119.914 -0.032 0.000 2.283 419 V HA -0.020 4.086 4.120 -0.023 0.000 0.243 419 V C 2.076 177.986 176.094 -0.306 0.000 1.039 419 V CA 1.807 63.997 62.300 -0.184 0.000 1.016 419 V CB -0.979 30.628 31.823 -0.360 0.000 0.650 419 V HN 0.533 nan 8.190 nan 0.000 0.449 420 F N 1.922 121.644 119.950 -0.380 0.000 2.126 420 F HA -0.196 4.318 4.527 -0.022 0.000 0.299 420 F C 2.265 178.064 175.800 -0.003 0.000 1.096 420 F CA 1.940 59.829 58.000 -0.185 0.000 1.255 420 F CB -0.341 38.651 39.000 -0.014 0.000 0.997 420 F HN 0.194 nan 8.300 nan 0.000 0.479 421 N N 0.108 118.818 118.700 0.017 0.000 2.300 421 N HA -0.034 4.692 4.740 -0.023 0.000 0.179 421 N C 1.515 176.975 175.510 -0.083 0.000 1.016 421 N CA 1.141 54.163 53.050 -0.046 0.000 0.876 421 N CB -0.120 38.413 38.487 0.076 0.000 0.979 421 N HN 0.430 nan 8.380 nan 0.000 0.432 422 R N -1.696 118.783 120.500 -0.036 0.000 2.568 422 R HA 0.120 4.446 4.340 -0.023 0.000 0.254 422 R C -0.218 176.079 176.300 -0.004 0.000 0.925 422 R CA -0.349 55.738 56.100 -0.021 0.000 1.025 422 R CB 0.430 30.729 30.300 -0.002 0.000 1.428 422 R HN 0.092 nan 8.270 nan 0.000 0.573 423 Y N 4.505 124.770 120.300 -0.058 0.000 2.465 423 Y HA 0.127 4.663 4.550 -0.023 0.000 0.331 423 Y C -2.210 173.720 175.900 0.051 0.000 1.102 423 Y CA -2.124 55.977 58.100 0.002 0.000 1.358 423 Y CB 0.630 39.087 38.460 -0.004 0.000 1.213 423 Y HN -0.125 nan 8.280 nan 0.000 0.525 424 P HA 0.068 nan 4.420 nan 0.000 0.263 424 P C 0.386 177.711 177.300 0.042 0.000 1.195 424 P CA 1.774 64.745 63.100 -0.214 0.000 0.762 424 P CB 0.473 31.966 31.700 -0.345 0.000 0.799 425 G N 2.480 111.315 108.800 0.059 0.000 2.168 425 G HA2 -0.385 3.561 3.960 -0.023 0.000 0.263 425 G HA3 -0.385 3.561 3.960 -0.023 0.000 0.263 425 G C 0.859 175.854 174.900 0.159 0.000 0.977 425 G CA 0.430 45.581 45.100 0.085 0.000 0.659 425 G HN 0.539 nan 8.290 nan 0.000 0.533 426 Y N 0.979 121.355 120.300 0.127 0.000 2.224 426 Y HA -0.035 4.501 4.550 -0.023 0.000 0.289 426 Y C 2.680 178.634 175.900 0.090 0.000 1.146 426 Y CA 2.500 60.692 58.100 0.154 0.000 1.182 426 Y CB -0.103 38.468 38.460 0.184 0.000 0.983 426 Y HN 0.378 nan 8.280 nan 0.000 0.524 427 K N -0.305 120.167 120.400 0.120 0.000 2.097 427 K HA -0.176 4.130 4.320 -0.023 0.000 0.205 427 K C 1.741 178.366 176.600 0.042 0.000 1.050 427 K CA 1.753 58.090 56.287 0.084 0.000 0.938 427 K CB -0.089 32.404 32.500 -0.012 0.000 0.718 427 K HN 0.283 nan 8.250 nan 0.000 0.442 428 E N 1.006 121.218 120.200 0.019 0.000 2.107 428 E HA -0.080 4.256 4.350 -0.023 0.000 0.191 428 E C 1.635 178.238 176.600 0.005 0.000 0.982 428 E CA 1.014 57.425 56.400 0.020 0.000 0.809 428 E CB 0.083 29.794 29.700 0.018 0.000 0.756 428 E HN 0.171 nan 8.360 nan 0.000 0.459 429 K N 0.343 120.715 120.400 -0.047 0.000 2.063 429 K HA -0.109 4.197 4.320 -0.023 0.000 0.208 429 K C 2.096 178.620 176.600 -0.127 0.000 1.048 429 K CA 1.390 57.617 56.287 -0.100 0.000 0.928 429 K CB -0.174 32.222 32.500 -0.174 0.000 0.713 429 K HN 0.122 nan 8.250 nan 0.000 0.442 430 A N 1.086 123.794 122.820 -0.186 0.000 1.930 430 A HA 0.035 4.341 4.320 -0.023 0.000 0.215 430 A C 2.308 179.933 177.584 0.068 0.000 1.176 430 A CA 1.386 53.363 52.037 -0.100 0.000 0.632 430 A CB -0.489 18.467 19.000 -0.073 0.000 0.819 430 A HN 0.306 nan 8.150 nan 0.000 0.445 431 A N -0.722 122.174 122.820 0.126 0.000 1.898 431 A HA -0.173 4.133 4.320 -0.023 0.000 0.216 431 A C 2.140 179.905 177.584 0.302 0.000 1.181 431 A CA 2.041 54.243 52.037 0.275 0.000 0.620 431 A CB -0.469 18.648 19.000 0.194 0.000 0.819 431 A HN 0.504 nan 8.150 nan 0.000 0.442 432 Q N -0.046 119.855 119.800 0.168 0.000 2.119 432 Q HA -0.007 4.319 4.340 -0.023 0.000 0.201 432 Q C 1.998 178.021 176.000 0.038 0.000 0.972 432 Q CA 2.031 57.907 55.803 0.122 0.000 0.847 432 Q CB -0.599 28.178 28.738 0.066 0.000 0.903 432 Q HN 0.550 nan 8.270 nan 0.000 0.433 433 A N -0.010 122.816 122.820 0.010 0.000 1.898 433 A HA -0.108 4.198 4.320 -0.023 0.000 0.216 433 A C 2.107 179.631 177.584 -0.100 0.000 1.181 433 A CA 1.315 53.325 52.037 -0.045 0.000 0.620 433 A CB -0.731 18.244 19.000 -0.042 0.000 0.819 433 A HN 0.442 nan 8.150 nan 0.000 0.442 434 L N -0.605 120.596 121.223 -0.038 0.000 2.017 434 L HA -0.205 4.121 4.340 -0.023 0.000 0.208 434 L C 2.642 179.199 176.870 -0.522 0.000 1.073 434 L CA 1.964 56.722 54.840 -0.137 0.000 0.745 434 L CB -0.387 41.777 42.059 0.176 0.000 0.894 434 L HN 0.459 nan 8.230 nan 0.000 0.432 435 K N -0.005 120.197 120.400 -0.330 0.000 2.063 435 K HA -0.225 4.081 4.320 -0.023 0.000 0.208 435 K C 1.651 178.047 176.600 -0.339 0.000 1.048 435 K CA 1.850 57.915 56.287 -0.370 0.000 0.928 435 K CB -0.005 32.481 32.500 -0.022 0.000 0.713 435 K HN 0.245 nan 8.250 nan 0.000 0.442 436 D N 0.709 120.975 120.400 -0.223 0.000 2.117 436 D HA -0.132 4.494 4.640 -0.023 0.000 0.197 436 D C 1.917 178.048 176.300 -0.281 0.000 0.987 436 D CA 0.989 54.874 54.000 -0.190 0.000 0.829 436 D CB -0.083 40.645 40.800 -0.121 0.000 0.961 436 D HN 0.280 nan 8.370 nan 0.000 0.460 437 I N -0.219 120.109 120.570 -0.403 0.000 2.179 437 I HA -0.293 3.863 4.170 -0.023 0.000 0.242 437 I C 1.621 177.333 176.117 -0.676 0.000 1.088 437 I CA 1.141 62.104 61.300 -0.562 0.000 1.357 437 I CB -0.067 37.435 38.000 -0.830 0.000 1.051 437 I HN 0.030 nan 8.210 nan 0.000 0.409 438 Y N -0.141 119.799 120.300 -0.600 0.000 2.482 438 Y HA 0.086 4.622 4.550 -0.024 0.000 0.270 438 Y C 0.993 176.589 175.900 -0.507 0.000 1.152 438 Y CA -0.163 57.529 58.100 -0.679 0.000 1.292 438 Y CB -0.529 37.149 38.460 -1.303 0.000 1.070 438 Y HN 0.229 nan 8.280 nan 0.000 0.528 439 N N -0.375 118.152 118.700 -0.289 0.000 2.725 439 N HA -0.201 4.526 4.740 -0.023 0.000 0.251 439 N C -1.116 174.409 175.510 0.025 0.000 1.031 439 N CA 0.216 53.203 53.050 -0.106 0.000 0.720 439 N CB -1.019 37.434 38.487 -0.058 0.000 0.930 439 N HN 0.196 nan 8.380 nan 0.000 0.543 440 W N 0.307 121.615 121.300 0.014 0.000 2.190 440 W HA 0.252 4.898 4.660 -0.024 0.000 0.330 440 W C 0.882 177.388 176.519 -0.022 0.000 1.299 440 W CA -0.338 56.995 57.345 -0.020 0.000 1.215 440 W CB 0.180 29.585 29.460 -0.091 0.000 1.147 440 W HN 0.221 nan 8.180 nan 0.000 0.563 441 D N 2.362 122.899 120.400 0.228 0.000 2.485 441 D HA 0.336 4.962 4.640 -0.023 0.000 0.221 441 D C -1.409 174.957 176.300 0.110 0.000 1.112 441 D CA -0.059 54.021 54.000 0.133 0.000 0.911 441 D CB 0.444 41.298 40.800 0.090 0.000 1.019 441 D HN 0.074 nan 8.370 nan 0.000 0.516 442 V N 3.839 123.829 119.914 0.127 0.000 2.891 442 V HA 0.301 4.408 4.120 -0.023 0.000 0.304 442 V C -0.031 176.153 176.094 0.150 0.000 1.171 442 V CA -0.503 61.862 62.300 0.109 0.000 0.943 442 V CB 2.167 34.040 31.823 0.083 0.000 1.037 442 V HN 0.405 nan 8.190 nan 0.000 0.427 443 E N 3.473 123.743 120.200 0.118 0.000 2.162 443 E HA 0.219 4.555 4.350 -0.023 0.000 0.193 443 E C 0.008 176.677 176.600 0.115 0.000 0.953 443 E CA 0.409 56.874 56.400 0.108 0.000 0.849 443 E CB 0.338 30.075 29.700 0.063 0.000 0.810 443 E HN 0.588 nan 8.360 nan 0.000 0.470 444 K N 1.199 121.650 120.400 0.085 0.000 2.156 444 K HA 0.231 4.538 4.320 -0.023 0.000 0.271 444 K C 0.886 177.460 176.600 -0.043 0.000 0.995 444 K CA -0.321 55.978 56.287 0.021 0.000 0.890 444 K CB 1.743 34.245 32.500 0.003 0.000 1.073 444 K HN -0.070 nan 8.250 nan 0.000 0.454 445 M N 2.862 122.338 119.600 -0.206 0.000 2.279 445 M HA -0.162 4.305 4.480 -0.023 0.000 0.264 445 M C 1.683 177.796 176.300 -0.312 0.000 1.062 445 M CA 1.749 56.711 55.300 -0.564 0.000 1.099 445 M CB -0.176 32.154 32.600 -0.451 0.000 1.394 445 M HN 0.626 nan 8.290 nan 0.000 0.426 446 E N -1.286 118.831 120.200 -0.137 0.000 2.338 446 E HA -0.194 4.142 4.350 -0.023 0.000 0.197 446 E C 0.559 177.132 176.600 -0.045 0.000 1.007 446 E CA 1.205 57.562 56.400 -0.071 0.000 0.849 446 E CB -0.649 29.025 29.700 -0.045 0.000 0.774 446 E HN 0.531 nan 8.360 nan 0.000 0.506 447 D N 0.746 121.127 120.400 -0.032 0.000 2.340 447 D HA 0.032 4.658 4.640 -0.023 0.000 0.220 447 D C -0.059 176.201 176.300 -0.067 0.000 1.039 447 D CA 0.125 54.105 54.000 -0.033 0.000 0.866 447 D CB -0.177 40.615 40.800 -0.013 0.000 0.913 447 D HN 0.386 nan 8.370 nan 0.000 0.523 448 H N 0.571 119.507 119.070 -0.224 0.000 2.886 448 H HA 0.015 4.557 4.556 -0.023 0.000 0.329 448 H C -1.327 173.657 175.328 -0.574 0.000 1.044 448 H CA -1.300 54.463 56.048 -0.475 0.000 1.456 448 H CB 1.397 31.068 29.762 -0.152 0.000 1.464 448 H HN -0.064 nan 8.280 nan 0.000 0.573 449 P HA -0.017 nan 4.420 nan 0.000 0.222 449 P C 0.019 177.185 177.300 -0.223 0.000 1.153 449 P CA 1.249 64.038 63.100 -0.518 0.000 0.798 449 P CB 0.544 31.863 31.700 -0.635 0.000 0.796 450 I N -0.394 120.104 120.570 -0.119 0.000 2.418 450 I HA 0.291 4.448 4.170 -0.023 0.000 0.287 450 I C -0.172 176.120 176.117 0.291 0.000 1.008 450 I CA -0.500 60.915 61.300 0.191 0.000 1.104 450 I CB 1.842 40.040 38.000 0.329 0.000 1.264 450 I HN -0.220 nan 8.210 nan 0.000 0.438 451 Q N 5.328 125.257 119.800 0.215 0.000 2.345 451 Q HA 0.525 4.851 4.340 -0.023 0.000 0.275 451 Q C -1.505 174.559 176.000 0.106 0.000 1.063 451 Q CA -1.074 54.832 55.803 0.171 0.000 0.819 451 Q CB 3.371 32.132 28.738 0.039 0.000 1.356 451 Q HN 0.396 nan 8.270 nan 0.000 0.418 452 L N 2.110 123.415 121.223 0.136 0.000 2.349 452 L HA 0.427 4.754 4.340 -0.023 0.000 0.275 452 L C -0.284 176.635 176.870 0.083 0.000 1.115 452 L CA -0.005 54.889 54.840 0.089 0.000 0.820 452 L CB 1.186 43.366 42.059 0.201 0.000 1.135 452 L HN 0.472 nan 8.230 nan 0.000 0.445 453 V N 0.429 120.335 119.914 -0.014 0.000 3.040 453 V HA 0.923 5.029 4.120 -0.023 0.000 0.312 453 V C -0.020 176.122 176.094 0.080 0.000 1.115 453 V CA -1.254 61.066 62.300 0.033 0.000 0.998 453 V CB 1.541 33.278 31.823 -0.143 0.000 1.042 453 V HN 0.859 nan 8.190 nan 0.000 0.433 454 A N 2.022 124.973 122.820 0.218 0.000 2.520 454 A HA 0.723 5.029 4.320 -0.023 0.000 0.245 454 A C 0.785 178.433 177.584 0.106 0.000 1.072 454 A CA 0.374 52.555 52.037 0.240 0.000 0.761 454 A CB -0.223 18.932 19.000 0.258 0.000 1.004 454 A HN 2.259 nan 8.150 nan 0.000 0.499 455 A N 2.820 125.679 122.820 0.065 0.000 2.386 455 A HA 0.483 4.789 4.320 -0.023 0.000 0.248 455 A C 0.554 178.203 177.584 0.109 0.000 1.082 455 A CA -0.379 51.696 52.037 0.064 0.000 0.789 455 A CB 0.091 19.105 19.000 0.023 0.000 1.025 455 A HN 0.846 nan 8.150 nan 0.000 0.490 456 E N 0.490 120.765 120.200 0.124 0.000 2.369 456 E HA 0.092 4.429 4.350 -0.023 0.000 0.255 456 E C -0.565 176.086 176.600 0.085 0.000 1.172 456 E CA -0.350 56.141 56.400 0.152 0.000 0.932 456 E CB 0.426 30.248 29.700 0.203 0.000 1.040 456 E HN 0.673 nan 8.360 nan 0.000 0.454 457 D N -0.014 120.424 120.400 0.064 0.000 2.349 457 D HA 0.056 4.682 4.640 -0.023 0.000 0.266 457 D C 1.022 177.313 176.300 -0.016 0.000 1.293 457 D CA 0.189 54.203 54.000 0.024 0.000 0.926 457 D CB 0.456 41.264 40.800 0.015 0.000 1.090 457 D HN 0.454 nan 8.370 nan 0.000 0.502 458 G N 2.473 111.274 108.800 0.001 0.000 2.394 458 G HA2 -0.213 3.734 3.960 -0.023 0.000 0.215 458 G HA3 -0.213 3.734 3.960 -0.023 0.000 0.215 458 G C 1.427 176.321 174.900 -0.011 0.000 1.165 458 G CA 0.756 45.849 45.100 -0.011 0.000 0.784 458 G HN 0.567 nan 8.290 nan 0.000 0.535 459 S N 0.068 115.772 115.700 0.006 0.000 2.461 459 S HA 0.252 4.708 4.470 -0.023 0.000 0.228 459 S C 1.994 176.612 174.600 0.031 0.000 1.005 459 S CA 1.118 59.335 58.200 0.028 0.000 0.942 459 S CB 0.074 63.299 63.200 0.043 0.000 0.776 459 S HN 0.425 nan 8.310 nan 0.000 0.514 460 G N 1.430 110.229 108.800 -0.002 0.000 2.651 460 G HA2 0.188 4.134 3.960 -0.023 0.000 0.226 460 G HA3 0.188 4.134 3.960 -0.023 0.000 0.226 460 G C 1.217 176.069 174.900 -0.079 0.000 1.542 460 G CA 0.429 45.516 45.100 -0.022 0.000 0.868 460 G HN 0.299 nan 8.290 nan 0.000 0.588 461 V N 2.090 121.910 119.914 -0.155 0.000 2.282 461 V HA -0.142 3.964 4.120 -0.023 0.000 0.249 461 V C 3.153 179.101 176.094 -0.244 0.000 1.057 461 V CA 2.425 64.535 62.300 -0.316 0.000 1.032 461 V CB -1.218 30.250 31.823 -0.591 0.000 0.645 461 V HN 0.478 nan 8.190 nan 0.000 0.447 462 G N -0.511 108.198 108.800 -0.151 0.000 2.446 462 G HA2 -0.241 3.705 3.960 -0.023 0.000 0.217 462 G HA3 -0.241 3.705 3.960 -0.023 0.000 0.217 462 G C 1.772 176.624 174.900 -0.079 0.000 1.168 462 G CA 1.140 46.181 45.100 -0.098 0.000 0.771 462 G HN 0.651 nan 8.290 nan 0.000 0.551 463 A N 0.969 123.763 122.820 -0.043 0.000 1.940 463 A HA 0.253 4.559 4.320 -0.023 0.000 0.219 463 A C 2.765 180.331 177.584 -0.030 0.000 1.176 463 A CA 2.304 54.337 52.037 -0.006 0.000 0.631 463 A CB -0.630 18.404 19.000 0.056 0.000 0.814 463 A HN 0.800 nan 8.150 nan 0.000 0.446 464 A N -0.350 122.434 122.820 -0.061 0.000 1.929 464 A HA 0.060 4.366 4.320 -0.023 0.000 0.216 464 A C 2.074 179.534 177.584 -0.208 0.000 1.176 464 A CA 1.263 53.272 52.037 -0.047 0.000 0.628 464 A CB -0.469 18.527 19.000 -0.006 0.000 0.816 464 A HN 0.471 nan 8.150 nan 0.000 0.444 465 I N -0.305 120.108 120.570 -0.262 0.000 2.315 465 I HA -0.208 3.949 4.170 -0.023 0.000 0.248 465 I C 2.151 178.106 176.117 -0.269 0.000 1.117 465 I CA 1.063 62.146 61.300 -0.363 0.000 1.404 465 I CB -0.229 37.564 38.000 -0.345 0.000 1.071 465 I HN 0.280 nan 8.210 nan 0.000 0.419 466 I N 0.741 121.219 120.570 -0.152 0.000 2.315 466 I HA -0.260 3.897 4.170 -0.023 0.000 0.248 466 I C 2.787 178.842 176.117 -0.103 0.000 1.117 466 I CA 1.117 62.364 61.300 -0.089 0.000 1.404 466 I CB -0.440 37.539 38.000 -0.034 0.000 1.071 466 I HN 0.172 nan 8.210 nan 0.000 0.419 467 A N 0.006 122.759 122.820 -0.112 0.000 1.908 467 A HA -0.309 3.998 4.320 -0.023 0.000 0.218 467 A C 2.564 180.040 177.584 -0.179 0.000 1.181 467 A CA 2.013 54.009 52.037 -0.068 0.000 0.627 467 A CB -1.343 17.675 19.000 0.030 0.000 0.818 467 A HN 0.631 nan 8.150 nan 0.000 0.445 468 C N -0.223 118.744 119.300 -0.554 0.000 2.436 468 C HA -0.073 4.373 4.460 -0.023 0.000 0.277 468 C C 2.632 177.434 174.990 -0.313 0.000 1.241 468 C CA 1.275 59.776 59.018 -0.861 0.000 1.721 468 C CB -1.612 25.210 27.740 -1.530 0.000 2.043 468 C HN 0.582 nan 8.230 nan 0.000 0.472 469 L N 0.587 121.671 121.223 -0.232 0.000 2.042 469 L HA -0.141 4.185 4.340 -0.023 0.000 0.210 469 L C 2.791 179.635 176.870 -0.043 0.000 1.076 469 L CA 2.225 57.011 54.840 -0.090 0.000 0.749 469 L CB -1.309 40.723 42.059 -0.045 0.000 0.893 469 L HN 0.414 nan 8.230 nan 0.000 0.432 470 T N -1.307 113.223 114.554 -0.041 0.000 2.777 470 T HA -0.232 4.105 4.350 -0.023 0.000 0.266 470 T C 1.816 176.518 174.700 0.003 0.000 1.040 470 T CA 1.398 63.495 62.100 -0.006 0.000 1.141 470 T CB -0.152 68.717 68.868 0.002 0.000 0.868 470 T HN 0.215 nan 8.240 nan 0.000 0.444 471 Q N 1.748 121.555 119.800 0.012 0.000 2.096 471 Q HA -0.107 4.219 4.340 -0.023 0.000 0.204 471 Q C 2.149 178.174 176.000 0.041 0.000 0.982 471 Q CA 1.790 57.622 55.803 0.049 0.000 0.850 471 Q CB -0.291 28.520 28.738 0.123 0.000 0.901 471 Q HN 0.430 nan 8.270 nan 0.000 0.422 472 K N -0.384 120.034 120.400 0.031 0.000 2.057 472 K HA -0.164 4.142 4.320 -0.023 0.000 0.207 472 K C 2.175 178.787 176.600 0.019 0.000 1.049 472 K CA 1.396 57.701 56.287 0.031 0.000 0.931 472 K CB -0.044 32.469 32.500 0.022 0.000 0.714 472 K HN 0.193 nan 8.250 nan 0.000 0.440 473 R N 0.435 120.942 120.500 0.011 0.000 2.070 473 R HA -0.106 4.220 4.340 -0.023 0.000 0.233 473 R C 2.487 178.790 176.300 0.004 0.000 1.137 473 R CA 1.547 57.652 56.100 0.008 0.000 0.945 473 R CB -0.478 29.827 30.300 0.009 0.000 0.845 473 R HN 0.205 nan 8.270 nan 0.000 0.430 474 L N 0.277 121.502 121.223 0.003 0.000 2.042 474 L HA -0.203 4.123 4.340 -0.023 0.000 0.210 474 L C 2.720 179.590 176.870 0.000 0.000 1.076 474 L CA 1.388 56.226 54.840 -0.003 0.000 0.749 474 L CB -0.675 41.381 42.059 -0.004 0.000 0.893 474 L HN 0.280 nan 8.230 nan 0.000 0.432 475 A N -0.099 122.728 122.820 0.010 0.000 1.933 475 A HA -0.112 4.194 4.320 -0.023 0.000 0.218 475 A C 2.414 180.002 177.584 0.007 0.000 1.175 475 A CA 1.697 53.740 52.037 0.010 0.000 0.628 475 A CB -0.561 18.452 19.000 0.021 0.000 0.814 475 A HN 0.417 nan 8.150 nan 0.000 0.444 476 A N -2.145 120.680 122.820 0.007 0.000 2.169 476 A HA 0.404 4.710 4.320 -0.023 0.000 0.212 476 A C 1.846 179.430 177.584 0.000 0.000 1.153 476 A CA 1.284 53.324 52.037 0.005 0.000 0.756 476 A CB -0.721 18.284 19.000 0.007 0.000 0.813 476 A HN 1.882 nan 8.150 nan 0.000 0.471 477 G N -0.722 108.076 108.800 -0.003 0.000 2.141 477 G HA2 -0.233 3.713 3.960 -0.023 0.000 0.242 477 G HA3 -0.233 3.713 3.960 -0.023 0.000 0.242 477 G C 0.084 174.979 174.900 -0.008 0.000 0.982 477 G CA 0.352 45.447 45.100 -0.008 0.000 0.662 477 G HN 0.566 nan 8.290 nan 0.000 0.527 478 K N 1.169 121.567 120.400 -0.004 0.000 2.218 478 K HA 0.528 4.834 4.320 -0.023 0.000 0.276 478 K C 0.658 177.256 176.600 -0.005 0.000 1.022 478 K CA -0.164 56.123 56.287 -0.001 0.000 0.946 478 K CB 0.957 33.460 32.500 0.004 0.000 1.000 478 K HN 0.197 nan 8.250 nan 0.000 0.468 479 S N 0.801 116.499 115.700 -0.003 0.000 2.593 479 S HA 0.097 4.553 4.470 -0.023 0.000 0.269 479 S C 0.588 175.188 174.600 0.000 0.000 1.334 479 S CA -0.864 57.326 58.200 -0.017 0.000 1.015 479 S CB 0.917 64.108 63.200 -0.015 0.000 0.912 479 S HN 0.555 nan 8.310 nan 0.000 0.541 480 V N -1.696 118.190 119.914 -0.046 0.000 2.872 480 V HA 0.771 4.877 4.120 -0.023 0.000 0.367 480 V C 0.272 176.228 176.094 -0.230 0.000 1.343 480 V CA 0.131 62.421 62.300 -0.016 0.000 1.219 480 V CB -0.335 31.482 31.823 -0.010 0.000 1.308 480 V HN 1.008 nan 8.190 nan 0.000 0.610 481 G N 0.697 109.269 108.800 -0.381 0.000 2.428 481 G HA2 0.547 4.493 3.960 -0.023 0.000 0.304 481 G HA3 0.547 4.493 3.960 -0.023 0.000 0.304 481 G C -0.994 173.552 174.900 -0.590 0.000 1.303 481 G CA -0.353 44.121 45.100 -1.043 0.000 0.825 481 G HN 0.804 nan 8.290 nan 0.000 0.484 482 I N -1.431 118.797 120.570 -0.570 0.000 2.823 482 I HA 0.530 4.686 4.170 -0.023 0.000 0.290 482 I C 0.244 176.283 176.117 -0.130 0.000 1.091 482 I CA -0.809 60.385 61.300 -0.177 0.000 1.365 482 I CB 0.648 38.604 38.000 -0.074 0.000 1.427 482 I HN 0.335 nan 8.210 nan 0.000 0.583 483 K N 3.435 123.802 120.400 -0.054 0.000 2.491 483 K HA 0.180 4.486 4.320 -0.023 0.000 0.279 483 K C 1.005 177.570 176.600 -0.059 0.000 1.026 483 K CA 1.032 57.291 56.287 -0.047 0.000 1.070 483 K CB 0.051 32.539 32.500 -0.020 0.000 0.887 483 K HN 1.047 nan 8.250 nan 0.000 0.481 484 G N 1.839 110.600 108.800 -0.064 0.000 2.241 484 G HA2 -0.222 3.724 3.960 -0.023 0.000 0.244 484 G HA3 -0.222 3.724 3.960 -0.023 0.000 0.244 484 G C 0.177 175.029 174.900 -0.079 0.000 0.998 484 G CA -0.196 44.868 45.100 -0.059 0.000 0.621 484 G HN 0.567 nan 8.290 nan 0.000 0.519 485 E N 0.000 120.134 120.200 -0.111 0.000 2.725 485 E HA 0.000 4.336 4.350 -0.023 0.000 0.291 485 E CA 0.000 56.321 56.400 -0.131 0.000 0.976 485 E CB 0.000 29.588 29.700 -0.186 0.000 0.812 485 E HN 0.000 nan 8.360 nan 0.000 0.440