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 2dbn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MASTFTSDTL PADHKAAIRQ MKHALRAQLG DVQQIFNQLS DDIATRVAEI DATA SEQUENCE NALKAQGDAV WPVLSYADIK AGHVTAEQRE QIKRRGCAVI KGHFPREQAL DATA SEQUENCE GWDQSMLDYL DRNRFDEVYX XXXXXXXXXX XXXRPEIYPI YWSQAQMQAR DATA SEQUENCE QSEEMANAQS FLNRLWTFES DGKQWFNPDV SVIYPDRIRR RPPGTTSKGL DATA SEQUENCE GAHTDSGALE RWLLPAYQRV FANVFNGNLA QYDPWHAAHR TEVEEYTVDX DATA SEQUENCE XXKCSVFRTF QGWTALSDML PGQGLLHVVP IPEAMAYVLL RPLLDDVPED DATA SEQUENCE ELCGVAPGRV LPVSEQWHPL LIEALTSIPK LEAGDSVWWH CDVIHSVAPV DATA SEQUENCE ENQQGWGNVM YIPAAPMCEK NLAYAHKVKA ALEKGASPGD FPREDYETNW DATA SEQUENCE EGRFTLADLN IHGKRALGMD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.333 176.300 0.055 0.000 1.140 1 M CA 0.000 55.339 55.300 0.065 0.000 0.988 1 M CB 0.000 32.647 32.600 0.079 0.000 1.302 2 A N 0.848 123.601 122.820 -0.112 0.000 1.970 2 A HA 0.059 4.379 4.320 -0.001 0.000 0.216 2 A C 1.825 178.950 177.584 -0.765 0.000 1.170 2 A CA 2.218 53.919 52.037 -0.560 0.000 0.645 2 A CB -0.845 17.960 19.000 -0.325 0.000 0.816 2 A HN 0.774 nan 8.150 nan 0.000 0.447 3 S N 0.330 115.828 115.700 -0.336 0.000 2.469 3 S HA -0.166 4.303 4.470 -0.001 0.000 0.238 3 S C 1.759 176.245 174.600 -0.190 0.000 0.998 3 S CA 1.809 59.866 58.200 -0.237 0.000 0.957 3 S CB -1.324 61.807 63.200 -0.115 0.000 0.764 3 S HN 0.786 nan 8.310 nan 0.000 0.514 4 T N -1.100 113.365 114.554 -0.148 0.000 3.072 4 T HA 0.104 4.453 4.350 -0.001 0.000 0.266 4 T C 1.092 175.857 174.700 0.108 0.000 1.127 4 T CA 0.665 62.779 62.100 0.025 0.000 1.107 4 T CB -0.690 68.266 68.868 0.147 0.000 0.910 4 T HN 0.764 nan 8.240 nan 0.000 0.513 5 F N 0.411 120.372 119.950 0.018 0.000 2.925 5 F HA 0.409 4.935 4.527 -0.001 0.000 0.359 5 F C 0.487 176.312 175.800 0.042 0.000 1.038 5 F CA -0.641 57.372 58.000 0.022 0.000 1.130 5 F CB -0.339 38.667 39.000 0.010 0.000 1.093 5 F HN 0.078 nan 8.300 nan 0.000 0.561 6 T N 0.165 114.455 114.554 -0.440 0.000 2.860 6 T HA 0.511 4.861 4.350 -0.001 0.000 0.299 6 T C 0.004 174.696 174.700 -0.012 0.000 1.045 6 T CA -0.082 61.916 62.100 -0.170 0.000 1.071 6 T CB 1.632 70.334 68.868 -0.277 0.000 0.985 6 T HN 0.365 nan 8.240 nan 0.000 0.537 7 S N -0.124 115.628 115.700 0.087 0.000 2.562 7 S HA 0.261 4.730 4.470 -0.001 0.000 0.274 7 S C 0.188 174.889 174.600 0.169 0.000 1.160 7 S CA -0.787 57.471 58.200 0.095 0.000 0.933 7 S CB 1.444 64.692 63.200 0.081 0.000 1.100 7 S HN 0.727 nan 8.310 nan 0.000 0.468 8 D N 2.273 122.746 120.400 0.121 0.000 2.310 8 D HA 0.017 4.656 4.640 -0.001 0.000 0.212 8 D C 1.091 177.539 176.300 0.246 0.000 0.965 8 D CA 1.357 55.447 54.000 0.150 0.000 0.879 8 D CB 0.195 41.046 40.800 0.085 0.000 0.921 8 D HN 0.752 nan 8.370 nan 0.000 0.510 9 T N -2.386 112.278 114.554 0.183 0.000 2.864 9 T HA 0.397 4.746 4.350 -0.001 0.000 0.289 9 T C -0.248 174.248 174.700 -0.341 0.000 1.082 9 T CA -1.033 61.122 62.100 0.093 0.000 1.009 9 T CB 1.979 70.865 68.868 0.030 0.000 1.234 9 T HN -0.144 nan 8.240 nan 0.000 0.526 10 L N 3.467 124.235 121.223 -0.759 0.000 2.628 10 L HA 0.277 4.616 4.340 -0.001 0.000 0.274 10 L C -1.923 174.724 176.870 -0.373 0.000 1.209 10 L CA -0.939 53.345 54.840 -0.926 0.000 0.930 10 L CB -0.394 41.327 42.059 -0.563 0.000 1.183 10 L HN 0.516 nan 8.230 nan 0.000 0.492 11 P HA 0.086 nan 4.420 nan 0.000 0.271 11 P C 0.016 177.293 177.300 -0.037 0.000 1.216 11 P CA -0.084 62.970 63.100 -0.076 0.000 0.776 11 P CB 1.079 32.782 31.700 0.005 0.000 0.881 12 A N 2.476 125.286 122.820 -0.017 0.000 1.933 12 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 12 A C 1.105 178.708 177.584 0.032 0.000 1.175 12 A CA 1.544 53.581 52.037 -0.000 0.000 0.628 12 A CB -0.564 18.435 19.000 -0.003 0.000 0.814 12 A HN 0.597 nan 8.150 nan 0.000 0.444 13 D N -1.378 119.041 120.400 0.032 0.000 2.404 13 D HA 0.126 4.765 4.640 -0.001 0.000 0.267 13 D C 0.936 177.247 176.300 0.018 0.000 1.194 13 D CA -0.422 53.589 54.000 0.019 0.000 0.910 13 D CB 0.099 40.888 40.800 -0.018 0.000 1.090 13 D HN 0.550 nan 8.370 nan 0.000 0.511 14 H N 2.414 121.467 119.070 -0.028 0.000 2.421 14 H HA -0.021 4.534 4.556 -0.001 0.000 0.298 14 H C 0.835 176.146 175.328 -0.029 0.000 1.087 14 H CA 0.731 56.767 56.048 -0.020 0.000 1.330 14 H CB 0.274 30.026 29.762 -0.016 0.000 1.388 14 H HN 0.250 nan 8.280 nan 0.000 0.526 15 K N 0.804 120.810 120.400 -0.656 0.000 2.057 15 K HA 0.023 4.342 4.320 -0.001 0.000 0.206 15 K C 2.600 179.071 176.600 -0.215 0.000 1.050 15 K CA 1.114 57.130 56.287 -0.452 0.000 0.935 15 K CB -0.044 32.196 32.500 -0.435 0.000 0.715 15 K HN 0.326 nan 8.250 nan 0.000 0.439 16 A N 1.499 124.228 122.820 -0.152 0.000 1.930 16 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 16 A C 2.357 179.913 177.584 -0.047 0.000 1.175 16 A CA 1.708 53.693 52.037 -0.085 0.000 0.627 16 A CB -0.576 18.390 19.000 -0.057 0.000 0.815 16 A HN 0.321 nan 8.150 nan 0.000 0.443 17 A N -0.075 122.735 122.820 -0.016 0.000 1.930 17 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 17 A C 2.101 179.688 177.584 0.005 0.000 1.175 17 A CA 1.431 53.500 52.037 0.053 0.000 0.627 17 A CB -0.553 18.511 19.000 0.107 0.000 0.815 17 A HN 0.493 nan 8.150 nan 0.000 0.443 18 I N -0.881 119.651 120.570 -0.063 0.000 2.179 18 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 18 I C 2.780 178.789 176.117 -0.180 0.000 1.088 18 I CA 1.273 62.484 61.300 -0.149 0.000 1.357 18 I CB -0.342 37.549 38.000 -0.181 0.000 1.051 18 I HN 0.304 nan 8.210 nan 0.000 0.409 19 R N 0.184 120.601 120.500 -0.140 0.000 2.081 19 R HA -0.239 4.100 4.340 -0.001 0.000 0.235 19 R C 2.310 178.552 176.300 -0.097 0.000 1.131 19 R CA 1.536 57.563 56.100 -0.122 0.000 0.960 19 R CB -0.404 29.834 30.300 -0.103 0.000 0.856 19 R HN 0.280 nan 8.270 nan 0.000 0.436 20 Q N 0.821 120.582 119.800 -0.066 0.000 2.119 20 Q HA -0.102 4.237 4.340 -0.001 0.000 0.201 20 Q C 1.988 177.901 176.000 -0.145 0.000 0.972 20 Q CA 1.413 57.209 55.803 -0.012 0.000 0.847 20 Q CB -0.194 28.590 28.738 0.076 0.000 0.903 20 Q HN 0.187 nan 8.270 nan 0.000 0.433 21 M N 0.075 119.452 119.600 -0.371 0.000 2.080 21 M HA -0.206 4.273 4.480 -0.001 0.000 0.260 21 M C 1.449 177.358 176.300 -0.650 0.000 1.068 21 M CA 1.860 56.536 55.300 -1.040 0.000 1.109 21 M CB -0.301 31.775 32.600 -0.872 0.000 1.342 21 M HN 0.179 nan 8.290 nan 0.000 0.405 22 K N -1.122 119.061 120.400 -0.361 0.000 2.057 22 K HA -0.218 4.101 4.320 -0.001 0.000 0.207 22 K C 2.219 178.727 176.600 -0.153 0.000 1.049 22 K CA 1.542 57.685 56.287 -0.240 0.000 0.931 22 K CB -0.651 31.738 32.500 -0.185 0.000 0.714 22 K HN 0.557 nan 8.250 nan 0.000 0.440 23 H N 0.573 119.536 119.070 -0.178 0.000 2.321 23 H HA -0.085 4.470 4.556 -0.001 0.000 0.300 23 H C 1.898 177.170 175.328 -0.092 0.000 1.087 23 H CA 1.661 57.643 56.048 -0.110 0.000 1.319 23 H CB 0.162 29.878 29.762 -0.078 0.000 1.379 23 H HN 0.204 nan 8.280 nan 0.000 0.501 24 A N 1.410 124.128 122.820 -0.169 0.000 1.877 24 A HA -0.107 4.213 4.320 -0.001 0.000 0.216 24 A C 2.816 180.312 177.584 -0.147 0.000 1.186 24 A CA 1.386 53.341 52.037 -0.136 0.000 0.620 24 A CB -0.863 18.178 19.000 0.069 0.000 0.822 24 A HN 0.431 nan 8.150 nan 0.000 0.443 25 L N -1.452 119.647 121.223 -0.208 0.000 2.109 25 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 25 L C 2.818 179.644 176.870 -0.072 0.000 1.086 25 L CA 1.146 55.912 54.840 -0.122 0.000 0.760 25 L CB -0.472 41.469 42.059 -0.197 0.000 0.910 25 L HN 0.342 nan 8.230 nan 0.000 0.437 26 R N 0.052 120.483 120.500 -0.116 0.000 2.120 26 R HA -0.119 4.221 4.340 -0.001 0.000 0.234 26 R C 2.447 178.691 176.300 -0.094 0.000 1.123 26 R CA 1.268 57.317 56.100 -0.086 0.000 0.975 26 R CB -0.374 29.868 30.300 -0.096 0.000 0.866 26 R HN 0.347 nan 8.270 nan 0.000 0.446 27 A N 0.687 123.411 122.820 -0.161 0.000 1.898 27 A HA -0.226 4.093 4.320 -0.001 0.000 0.216 27 A C 2.070 179.616 177.584 -0.063 0.000 1.181 27 A CA 1.266 53.216 52.037 -0.144 0.000 0.620 27 A CB -0.461 18.396 19.000 -0.238 0.000 0.819 27 A HN 0.355 nan 8.150 nan 0.000 0.442 28 Q N -0.462 119.315 119.800 -0.038 0.000 2.084 28 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 28 Q C 1.931 177.946 176.000 0.026 0.000 0.978 28 Q CA 1.458 57.268 55.803 0.012 0.000 0.844 28 Q CB -0.214 28.553 28.738 0.048 0.000 0.898 28 Q HN 0.672 nan 8.270 nan 0.000 0.426 29 L N -1.045 120.195 121.223 0.028 0.000 2.109 29 L HA -0.032 4.307 4.340 -0.001 0.000 0.207 29 L C 1.875 178.757 176.870 0.020 0.000 1.086 29 L CA 0.881 55.744 54.840 0.038 0.000 0.760 29 L CB -0.420 41.669 42.059 0.051 0.000 0.910 29 L HN 0.633 nan 8.230 nan 0.000 0.437 30 G N -0.466 108.335 108.800 0.001 0.000 4.655 30 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.220 30 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.220 30 G C 0.463 175.363 174.900 -0.000 0.000 1.403 30 G CA 0.453 45.551 45.100 -0.002 0.000 0.931 30 G HN 0.369 nan 8.290 nan 0.000 0.654 31 D N 0.530 120.936 120.400 0.010 0.000 2.613 31 D HA 0.489 5.128 4.640 -0.001 0.000 0.312 31 D C 1.432 177.746 176.300 0.024 0.000 1.202 31 D CA 0.301 54.309 54.000 0.012 0.000 0.825 31 D CB 0.673 41.482 40.800 0.015 0.000 1.113 31 D HN 0.378 nan 8.370 nan 0.000 0.502 32 V N 2.433 122.359 119.914 0.019 0.000 2.453 32 V HA -0.271 3.849 4.120 -0.001 0.000 0.252 32 V C 2.171 178.301 176.094 0.059 0.000 1.068 32 V CA 2.393 64.716 62.300 0.038 0.000 1.070 32 V CB -0.013 31.818 31.823 0.014 0.000 0.664 32 V HN 0.386 nan 8.190 nan 0.000 0.461 33 Q N 0.109 119.925 119.800 0.028 0.000 2.084 33 Q HA -0.271 4.068 4.340 -0.001 0.000 0.202 33 Q C 2.265 178.324 176.000 0.098 0.000 0.978 33 Q CA 2.624 58.454 55.803 0.046 0.000 0.844 33 Q CB -0.531 28.212 28.738 0.009 0.000 0.898 33 Q HN 0.803 nan 8.270 nan 0.000 0.426 34 Q N -0.551 119.288 119.800 0.064 0.000 2.084 34 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 34 Q C 2.033 178.072 176.000 0.065 0.000 0.978 34 Q CA 1.589 57.427 55.803 0.058 0.000 0.844 34 Q CB -0.149 28.611 28.738 0.036 0.000 0.898 34 Q HN 0.552 nan 8.270 nan 0.000 0.426 35 I N 0.077 120.689 120.570 0.069 0.000 2.226 35 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 35 I C 2.109 178.266 176.117 0.067 0.000 1.100 35 I CA 1.003 62.338 61.300 0.057 0.000 1.374 35 I CB -0.273 37.761 38.000 0.057 0.000 1.057 35 I HN 0.253 nan 8.210 nan 0.000 0.413 36 F N 1.867 121.791 119.950 -0.042 0.000 2.146 36 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 36 F C 2.158 177.933 175.800 -0.041 0.000 1.096 36 F CA 1.815 59.772 58.000 -0.072 0.000 1.275 36 F CB -0.477 38.456 39.000 -0.111 0.000 1.008 36 F HN 0.076 nan 8.300 nan 0.000 0.480 37 N N -0.453 118.322 118.700 0.125 0.000 2.120 37 N HA -0.264 4.475 4.740 -0.001 0.000 0.188 37 N C 1.768 177.265 175.510 -0.023 0.000 1.024 37 N CA 1.114 54.200 53.050 0.059 0.000 0.852 37 N CB -0.257 38.280 38.487 0.082 0.000 1.003 37 N HN 0.255 nan 8.380 nan 0.000 0.424 38 Q N 1.341 121.130 119.800 -0.019 0.000 2.079 38 Q HA -0.089 4.250 4.340 -0.001 0.000 0.200 38 Q C 1.932 177.894 176.000 -0.063 0.000 0.974 38 Q CA 1.101 56.887 55.803 -0.027 0.000 0.840 38 Q CB -0.365 28.366 28.738 -0.011 0.000 0.898 38 Q HN 0.327 nan 8.270 nan 0.000 0.430 39 L N -0.153 121.002 121.223 -0.114 0.000 2.046 39 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 39 L C 2.045 178.822 176.870 -0.155 0.000 1.077 39 L CA 2.088 56.841 54.840 -0.145 0.000 0.747 39 L CB -0.922 41.007 42.059 -0.218 0.000 0.896 39 L HN 0.143 nan 8.230 nan 0.000 0.432 40 S N -0.192 115.367 115.700 -0.234 0.000 2.368 40 S HA -0.179 4.290 4.470 -0.001 0.000 0.225 40 S C 1.568 176.142 174.600 -0.044 0.000 1.030 40 S CA 1.380 59.506 58.200 -0.124 0.000 0.999 40 S CB -0.488 62.639 63.200 -0.122 0.000 0.844 40 S HN 0.556 nan 8.310 nan 0.000 0.459 41 D N 1.393 121.769 120.400 -0.040 0.000 2.117 41 D HA -0.078 4.562 4.640 -0.001 0.000 0.197 41 D C 1.616 177.903 176.300 -0.022 0.000 0.987 41 D CA 0.935 54.924 54.000 -0.018 0.000 0.829 41 D CB -0.433 40.360 40.800 -0.011 0.000 0.961 41 D HN 0.303 nan 8.370 nan 0.000 0.460 42 D N 0.236 120.617 120.400 -0.032 0.000 2.117 42 D HA -0.063 4.576 4.640 -0.001 0.000 0.198 42 D C 2.317 178.598 176.300 -0.031 0.000 0.982 42 D CA 0.404 54.388 54.000 -0.027 0.000 0.828 42 D CB -0.134 40.649 40.800 -0.028 0.000 0.967 42 D HN 0.272 nan 8.370 nan 0.000 0.464 43 I N 1.283 121.829 120.570 -0.041 0.000 2.315 43 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 43 I C 2.468 178.557 176.117 -0.046 0.000 1.117 43 I CA 0.682 61.951 61.300 -0.051 0.000 1.404 43 I CB -0.159 37.798 38.000 -0.072 0.000 1.071 43 I HN -0.096 nan 8.210 nan 0.000 0.419 44 A N 0.950 123.751 122.820 -0.032 0.000 1.978 44 A HA -0.244 4.075 4.320 -0.001 0.000 0.220 44 A C 2.441 180.015 177.584 -0.017 0.000 1.170 44 A CA 2.372 54.396 52.037 -0.020 0.000 0.636 44 A CB -1.156 17.841 19.000 -0.006 0.000 0.810 44 A HN 0.543 nan 8.150 nan 0.000 0.448 45 T N -2.526 112.018 114.554 -0.017 0.000 2.833 45 T HA -0.142 4.208 4.350 -0.001 0.000 0.269 45 T C 1.931 176.622 174.700 -0.015 0.000 1.054 45 T CA 1.177 63.269 62.100 -0.013 0.000 1.135 45 T CB -0.294 68.567 68.868 -0.012 0.000 0.869 45 T HN 0.385 nan 8.240 nan 0.000 0.466 46 R N 0.821 121.307 120.500 -0.023 0.000 2.073 46 R HA 0.154 4.494 4.340 -0.001 0.000 0.229 46 R C 2.648 178.933 176.300 -0.025 0.000 1.120 46 R CA 0.840 56.925 56.100 -0.026 0.000 0.967 46 R CB -1.379 28.899 30.300 -0.036 0.000 0.862 46 R HN 0.415 nan 8.270 nan 0.000 0.436 47 V N 1.580 121.476 119.914 -0.029 0.000 2.407 47 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 47 V C 2.551 178.639 176.094 -0.010 0.000 1.055 47 V CA 1.839 64.125 62.300 -0.024 0.000 1.049 47 V CB -0.876 30.930 31.823 -0.028 0.000 0.662 47 V HN 0.296 nan 8.190 nan 0.000 0.455 48 A N -0.275 122.541 122.820 -0.007 0.000 1.902 48 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 48 A C 2.180 179.765 177.584 0.002 0.000 1.181 48 A CA 1.876 53.913 52.037 -0.001 0.000 0.623 48 A CB -0.459 18.541 19.000 -0.001 0.000 0.818 48 A HN 0.619 nan 8.150 nan 0.000 0.443 49 E N -0.320 119.880 120.200 -0.001 0.000 2.077 49 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 49 E C 1.880 178.484 176.600 0.007 0.000 0.989 49 E CA 1.330 57.731 56.400 0.002 0.000 0.800 49 E CB -0.322 29.377 29.700 -0.002 0.000 0.746 49 E HN 0.707 nan 8.360 nan 0.000 0.452 50 I N 1.585 122.157 120.570 0.003 0.000 2.226 50 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 50 I C 1.979 178.108 176.117 0.020 0.000 1.100 50 I CA 0.797 62.103 61.300 0.011 0.000 1.374 50 I CB -0.260 37.741 38.000 0.001 0.000 1.057 50 I HN 0.082 nan 8.210 nan 0.000 0.413 51 N N 0.952 119.662 118.700 0.016 0.000 2.244 51 N HA -0.083 4.657 4.740 -0.001 0.000 0.183 51 N C 1.842 177.365 175.510 0.021 0.000 1.016 51 N CA 1.401 54.464 53.050 0.021 0.000 0.866 51 N CB -0.241 38.256 38.487 0.016 0.000 0.980 51 N HN 0.357 nan 8.380 nan 0.000 0.430 52 A N 0.979 123.809 122.820 0.017 0.000 1.898 52 A HA 0.002 4.321 4.320 -0.001 0.000 0.216 52 A C 2.353 179.950 177.584 0.021 0.000 1.181 52 A CA 0.717 52.764 52.037 0.017 0.000 0.620 52 A CB -0.601 18.407 19.000 0.013 0.000 0.819 52 A HN 0.179 nan 8.150 nan 0.000 0.442 53 L N -0.620 120.618 121.223 0.025 0.000 2.046 53 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 53 L C 2.573 179.465 176.870 0.037 0.000 1.077 53 L CA 1.693 56.552 54.840 0.032 0.000 0.747 53 L CB -0.410 41.672 42.059 0.038 0.000 0.896 53 L HN 0.340 nan 8.230 nan 0.000 0.432 54 K N -0.004 120.420 120.400 0.039 0.000 2.097 54 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 54 K C 2.208 178.829 176.600 0.034 0.000 1.049 54 K CA 1.321 57.634 56.287 0.042 0.000 0.933 54 K CB -0.269 32.258 32.500 0.046 0.000 0.717 54 K HN 0.284 nan 8.250 nan 0.000 0.442 55 A N 1.204 124.041 122.820 0.029 0.000 1.972 55 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 55 A C 1.871 179.469 177.584 0.023 0.000 1.169 55 A CA 1.229 53.281 52.037 0.024 0.000 0.635 55 A CB -0.150 18.862 19.000 0.020 0.000 0.810 55 A HN 0.197 nan 8.150 nan 0.000 0.446 56 Q N -1.522 118.293 119.800 0.024 0.000 2.403 56 Q HA 0.142 4.481 4.340 -0.001 0.000 0.203 56 Q C 1.293 177.307 176.000 0.024 0.000 0.932 56 Q CA 0.748 56.564 55.803 0.022 0.000 0.945 56 Q CB 0.133 28.884 28.738 0.021 0.000 1.045 56 Q HN 0.938 nan 8.270 nan 0.000 0.511 57 G N 1.569 110.385 108.800 0.028 0.000 2.168 57 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.263 57 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.263 57 G C -0.141 174.779 174.900 0.033 0.000 0.977 57 G CA 0.358 45.476 45.100 0.030 0.000 0.659 57 G HN 0.299 nan 8.290 nan 0.000 0.533 58 D N 0.807 121.229 120.400 0.036 0.000 2.339 58 D HA 0.536 5.176 4.640 -0.001 0.000 0.245 58 D C 0.963 177.296 176.300 0.055 0.000 1.115 58 D CA 0.639 54.663 54.000 0.040 0.000 0.917 58 D CB 1.140 41.962 40.800 0.036 0.000 1.192 58 D HN 0.632 nan 8.370 nan 0.000 0.428 59 A N 1.388 124.246 122.820 0.064 0.000 2.477 59 A HA 0.209 4.529 4.320 -0.001 0.000 0.246 59 A C 1.130 178.782 177.584 0.113 0.000 1.078 59 A CA -0.344 51.749 52.037 0.094 0.000 0.770 59 A CB 0.476 19.534 19.000 0.096 0.000 1.011 59 A HN 0.413 nan 8.150 nan 0.000 0.494 60 V N 1.129 121.140 119.914 0.162 0.000 2.521 60 V HA -0.010 4.109 4.120 -0.001 0.000 0.239 60 V C 0.529 176.731 176.094 0.179 0.000 1.053 60 V CA 0.313 62.698 62.300 0.142 0.000 1.073 60 V CB -0.792 31.113 31.823 0.137 0.000 0.746 60 V HN 0.853 nan 8.190 nan 0.000 0.476 61 W N 1.586 122.908 121.300 0.036 0.000 2.264 61 W HA 0.286 4.945 4.660 -0.001 0.000 0.331 61 W C -2.259 174.298 176.519 0.063 0.000 1.364 61 W CA -1.883 55.497 57.345 0.058 0.000 1.253 61 W CB -0.851 28.637 29.460 0.048 0.000 1.215 61 W HN 0.085 nan 8.180 nan 0.000 0.561 62 P HA 0.047 nan 4.420 nan 0.000 0.268 62 P C -0.773 176.656 177.300 0.215 0.000 1.204 62 P CA 0.001 63.217 63.100 0.193 0.000 0.768 62 P CB 0.583 32.377 31.700 0.158 0.000 0.842 63 V N 5.277 125.276 119.914 0.142 0.000 2.378 63 V HA 0.336 4.455 4.120 -0.001 0.000 0.288 63 V C -0.112 176.016 176.094 0.057 0.000 1.016 63 V CA -0.395 61.971 62.300 0.109 0.000 0.840 63 V CB 1.144 33.017 31.823 0.084 0.000 0.994 63 V HN 0.318 nan 8.190 nan 0.000 0.431 64 L N 3.946 125.188 121.223 0.033 0.000 2.341 64 L HA 0.686 5.025 4.340 -0.001 0.000 0.267 64 L C 0.403 177.243 176.870 -0.050 0.000 1.009 64 L CA -0.139 54.678 54.840 -0.038 0.000 0.819 64 L CB 2.356 44.346 42.059 -0.115 0.000 1.323 64 L HN 0.733 nan 8.230 nan 0.000 0.425 65 S N 0.159 115.813 115.700 -0.076 0.000 2.554 65 S HA 0.233 4.702 4.470 -0.001 0.000 0.278 65 S C 0.787 175.317 174.600 -0.117 0.000 1.242 65 S CA -0.368 57.798 58.200 -0.056 0.000 1.051 65 S CB 0.551 63.722 63.200 -0.048 0.000 0.986 65 S HN 0.581 nan 8.310 nan 0.000 0.502 66 Y N 3.466 123.673 120.300 -0.155 0.000 2.274 66 Y HA -0.027 4.522 4.550 -0.001 0.000 0.290 66 Y C 2.328 178.125 175.900 -0.171 0.000 1.145 66 Y CA 1.505 59.477 58.100 -0.213 0.000 1.203 66 Y CB -1.011 37.346 38.460 -0.173 0.000 0.984 66 Y HN 0.899 nan 8.280 nan 0.000 0.533 67 A N 0.274 122.939 122.820 -0.258 0.000 1.917 67 A HA -0.256 4.063 4.320 -0.001 0.000 0.219 67 A C 1.996 179.384 177.584 -0.327 0.000 1.182 67 A CA 2.268 54.144 52.037 -0.268 0.000 0.633 67 A CB -0.882 18.059 19.000 -0.097 0.000 0.819 67 A HN 0.534 nan 8.150 nan 0.000 0.448 68 D N -0.329 119.908 120.400 -0.272 0.000 2.144 68 D HA -0.058 4.581 4.640 -0.001 0.000 0.200 68 D C 1.897 177.970 176.300 -0.378 0.000 0.978 68 D CA 0.940 54.800 54.000 -0.233 0.000 0.833 68 D CB -0.291 40.414 40.800 -0.158 0.000 0.961 68 D HN 0.540 nan 8.370 nan 0.000 0.470 69 I N 0.879 121.124 120.570 -0.542 0.000 2.179 69 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 69 I C 2.474 178.260 176.117 -0.552 0.000 1.088 69 I CA 1.010 61.938 61.300 -0.619 0.000 1.357 69 I CB -0.153 37.440 38.000 -0.678 0.000 1.051 69 I HN -0.048 nan 8.210 nan 0.000 0.409 70 K N 1.407 121.333 120.400 -0.789 0.000 2.057 70 K HA -0.181 4.138 4.320 -0.001 0.000 0.207 70 K C 2.015 178.395 176.600 -0.367 0.000 1.049 70 K CA 1.663 57.604 56.287 -0.576 0.000 0.931 70 K CB -0.093 32.005 32.500 -0.670 0.000 0.714 70 K HN 0.305 nan 8.250 nan 0.000 0.440 71 A N 0.101 122.675 122.820 -0.410 0.000 2.169 71 A HA 0.169 4.489 4.320 -0.001 0.000 0.212 71 A C 1.252 178.440 177.584 -0.661 0.000 1.153 71 A CA 0.875 52.613 52.037 -0.498 0.000 0.756 71 A CB -0.381 18.314 19.000 -0.509 0.000 0.813 71 A HN 0.577 nan 8.150 nan 0.000 0.471 72 G N -1.017 107.523 108.800 -0.434 0.000 2.198 72 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.257 72 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.257 72 G C 0.176 174.957 174.900 -0.198 0.000 1.042 72 G CA 0.464 45.401 45.100 -0.273 0.000 0.791 72 G HN 0.629 nan 8.290 nan 0.000 0.502 73 H N -1.017 117.985 119.070 -0.113 0.000 2.486 73 H HA 0.334 4.889 4.556 -0.001 0.000 0.284 73 H C 1.049 176.323 175.328 -0.090 0.000 1.103 73 H CA -0.207 55.789 56.048 -0.087 0.000 1.089 73 H CB 0.334 30.043 29.762 -0.089 0.000 1.603 73 H HN 0.286 nan 8.280 nan 0.000 0.557 74 V N 3.071 122.980 119.914 -0.008 0.000 2.521 74 V HA 0.026 4.145 4.120 -0.001 0.000 0.286 74 V C 1.179 177.300 176.094 0.045 0.000 1.034 74 V CA -0.185 62.098 62.300 -0.028 0.000 1.045 74 V CB 0.884 32.652 31.823 -0.091 0.000 0.974 74 V HN 0.465 nan 8.190 nan 0.000 0.480 75 T N 2.664 117.235 114.554 0.029 0.000 2.868 75 T HA 0.435 4.785 4.350 -0.001 0.000 0.292 75 T C 1.350 176.070 174.700 0.034 0.000 1.028 75 T CA -0.035 62.081 62.100 0.026 0.000 1.059 75 T CB 1.443 70.315 68.868 0.006 0.000 0.991 75 T HN 0.782 nan 8.240 nan 0.000 0.531 76 A N 0.431 123.262 122.820 0.018 0.000 1.940 76 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 76 A C 2.296 179.876 177.584 -0.006 0.000 1.176 76 A CA 1.885 53.924 52.037 0.003 0.000 0.631 76 A CB -1.108 17.887 19.000 -0.009 0.000 0.814 76 A HN 1.046 nan 8.150 nan 0.000 0.446 77 E N -0.363 119.835 120.200 -0.003 0.000 2.077 77 E HA -0.257 4.092 4.350 -0.001 0.000 0.193 77 E C 2.160 178.762 176.600 0.003 0.000 0.989 77 E CA 1.403 57.800 56.400 -0.006 0.000 0.800 77 E CB -0.158 29.540 29.700 -0.003 0.000 0.746 77 E HN 0.777 nan 8.360 nan 0.000 0.452 78 Q N -0.166 119.647 119.800 0.020 0.000 2.124 78 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 78 Q C 2.311 178.347 176.000 0.059 0.000 0.977 78 Q CA 1.221 57.049 55.803 0.041 0.000 0.850 78 Q CB -0.030 28.735 28.738 0.044 0.000 0.901 78 Q HN 0.222 nan 8.270 nan 0.000 0.429 79 R N 0.596 121.128 120.500 0.055 0.000 2.075 79 R HA -0.132 4.208 4.340 -0.001 0.000 0.232 79 R C 2.310 178.549 176.300 -0.101 0.000 1.126 79 R CA 1.176 57.276 56.100 -0.000 0.000 0.963 79 R CB -0.290 29.988 30.300 -0.036 0.000 0.858 79 R HN 0.302 nan 8.270 nan 0.000 0.435 80 E N 1.925 122.076 120.200 -0.080 0.000 2.085 80 E HA -0.248 4.101 4.350 -0.001 0.000 0.194 80 E C 1.730 178.283 176.600 -0.078 0.000 0.994 80 E CA 1.579 57.917 56.400 -0.102 0.000 0.801 80 E CB 0.005 29.666 29.700 -0.065 0.000 0.743 80 E HN 0.436 nan 8.360 nan 0.000 0.453 81 Q N 0.120 119.903 119.800 -0.029 0.000 2.096 81 Q HA -0.132 4.207 4.340 -0.001 0.000 0.204 81 Q C 2.561 178.572 176.000 0.017 0.000 0.982 81 Q CA 1.765 57.570 55.803 0.003 0.000 0.850 81 Q CB -0.184 28.572 28.738 0.030 0.000 0.901 81 Q HN 0.413 nan 8.270 nan 0.000 0.422 82 I N 0.721 121.300 120.570 0.016 0.000 2.315 82 I HA -0.265 3.905 4.170 -0.001 0.000 0.248 82 I C 2.111 178.244 176.117 0.026 0.000 1.117 82 I CA 1.174 62.514 61.300 0.067 0.000 1.404 82 I CB -0.212 37.835 38.000 0.080 0.000 1.071 82 I HN 0.128 nan 8.210 nan 0.000 0.419 83 K N 0.317 120.576 120.400 -0.234 0.000 2.148 83 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 83 K C 2.273 178.926 176.600 0.090 0.000 1.050 83 K CA 0.873 56.904 56.287 -0.427 0.000 0.942 83 K CB -0.122 31.909 32.500 -0.783 0.000 0.724 83 K HN 0.240 nan 8.250 nan 0.000 0.446 84 R N 0.662 121.176 120.500 0.024 0.000 2.075 84 R HA -0.012 4.328 4.340 -0.001 0.000 0.226 84 R C 1.768 178.104 176.300 0.060 0.000 1.114 84 R CA 0.942 57.069 56.100 0.045 0.000 0.972 84 R CB 0.277 30.579 30.300 0.004 0.000 0.869 84 R HN -0.021 nan 8.270 nan 0.000 0.437 85 R N -0.847 119.692 120.500 0.065 0.000 2.254 85 R HA 0.153 4.492 4.340 -0.001 0.000 0.195 85 R C 1.102 177.424 176.300 0.037 0.000 0.957 85 R CA 0.790 56.898 56.100 0.014 0.000 1.024 85 R CB -0.019 30.267 30.300 -0.025 0.000 0.952 85 R HN 0.478 nan 8.270 nan 0.000 0.484 86 G N 1.549 110.485 108.800 0.226 0.000 2.179 86 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.257 86 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.257 86 G C 0.350 175.456 174.900 0.344 0.000 1.010 86 G CA 0.626 45.909 45.100 0.306 0.000 0.736 86 G HN 0.554 nan 8.290 nan 0.000 0.513 87 C N -2.981 116.491 119.300 0.287 0.000 3.321 87 C HA 1.098 5.558 4.460 -0.001 0.000 0.329 87 C C 0.012 175.206 174.990 0.340 0.000 1.394 87 C CA -0.455 58.728 59.018 0.275 0.000 1.291 87 C CB 1.561 29.070 27.740 -0.384 0.000 1.606 87 C HN 2.273 nan 8.230 nan 0.000 0.463 88 A N 0.153 123.300 122.820 0.545 0.000 2.605 88 A HA 0.764 5.084 4.320 -0.001 0.000 0.294 88 A C -1.727 176.218 177.584 0.601 0.000 1.062 88 A CA -0.384 51.960 52.037 0.511 0.000 0.682 88 A CB 1.023 20.216 19.000 0.322 0.000 1.278 88 A HN 1.861 nan 8.150 nan 0.000 0.410 89 V N 2.287 122.446 119.914 0.409 0.000 2.384 89 V HA 0.433 4.552 4.120 -0.001 0.000 0.287 89 V C -0.397 175.807 176.094 0.184 0.000 1.020 89 V CA -0.184 62.262 62.300 0.244 0.000 0.850 89 V CB 1.373 33.256 31.823 0.101 0.000 0.987 89 V HN 0.670 nan 8.190 nan 0.000 0.436 90 I N 5.967 126.656 120.570 0.199 0.000 2.306 90 I HA 0.333 4.503 4.170 -0.001 0.000 0.288 90 I C 0.142 176.321 176.117 0.103 0.000 1.036 90 I CA -0.679 60.678 61.300 0.094 0.000 1.221 90 I CB 0.940 38.947 38.000 0.012 0.000 1.385 90 I HN 0.418 nan 8.210 nan 0.000 0.472 91 K N 4.771 125.214 120.400 0.070 0.000 2.339 91 K HA 0.226 4.545 4.320 -0.001 0.000 0.286 91 K C 0.904 177.562 176.600 0.098 0.000 1.050 91 K CA -0.010 56.322 56.287 0.076 0.000 0.956 91 K CB 0.888 33.418 32.500 0.049 0.000 0.990 91 K HN 0.904 nan 8.250 nan 0.000 0.475 92 G N 2.171 111.035 108.800 0.106 0.000 2.273 92 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.280 92 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.280 92 G C 0.880 175.837 174.900 0.094 0.000 1.047 92 G CA 0.992 46.155 45.100 0.104 0.000 0.869 92 G HN 0.962 nan 8.290 nan 0.000 0.502 93 H N -1.401 117.614 119.070 -0.092 0.000 2.352 93 H HA 0.094 4.649 4.556 -0.001 0.000 0.299 93 H C 0.545 175.311 175.328 -0.937 0.000 1.097 93 H CA 1.346 57.082 56.048 -0.520 0.000 1.311 93 H CB 0.077 29.630 29.762 -0.349 0.000 1.377 93 H HN 0.435 nan 8.280 nan 0.000 0.504 94 F N -0.778 119.157 119.950 -0.025 0.000 2.576 94 F HA 0.373 4.899 4.527 -0.001 0.000 0.313 94 F C -2.224 173.516 175.800 -0.101 0.000 1.078 94 F CA -3.018 54.904 58.000 -0.131 0.000 0.921 94 F CB 1.392 40.285 39.000 -0.179 0.000 1.232 94 F HN -0.112 nan 8.300 nan 0.000 0.459 95 P HA 0.119 nan 4.420 nan 0.000 0.267 95 P C 0.680 177.959 177.300 -0.035 0.000 1.200 95 P CA -0.063 63.033 63.100 -0.007 0.000 0.772 95 P CB 0.784 32.456 31.700 -0.047 0.000 0.855 96 R N 2.610 123.098 120.500 -0.021 0.000 2.103 96 R HA -0.208 4.131 4.340 -0.001 0.000 0.242 96 R C 1.544 177.791 176.300 -0.088 0.000 1.142 96 R CA 1.626 57.707 56.100 -0.032 0.000 0.960 96 R CB -0.234 30.056 30.300 -0.016 0.000 0.858 96 R HN 0.437 nan 8.270 nan 0.000 0.439 97 E N 0.312 120.451 120.200 -0.102 0.000 2.204 97 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 97 E C 1.774 178.240 176.600 -0.225 0.000 0.989 97 E CA 1.008 57.327 56.400 -0.135 0.000 0.824 97 E CB -0.081 29.554 29.700 -0.109 0.000 0.756 97 E HN 0.555 nan 8.360 nan 0.000 0.477 98 Q N 0.235 119.855 119.800 -0.300 0.000 2.083 98 Q HA -0.067 4.272 4.340 -0.001 0.000 0.198 98 Q C 2.048 177.598 176.000 -0.749 0.000 0.969 98 Q CA 1.290 56.741 55.803 -0.586 0.000 0.838 98 Q CB -0.007 28.335 28.738 -0.659 0.000 0.900 98 Q HN 0.202 nan 8.270 nan 0.000 0.436 99 A N 0.820 123.379 122.820 -0.434 0.000 1.873 99 A HA -0.140 4.179 4.320 -0.001 0.000 0.215 99 A C 2.042 179.556 177.584 -0.117 0.000 1.186 99 A CA 1.136 53.053 52.037 -0.199 0.000 0.616 99 A CB -0.720 18.263 19.000 -0.027 0.000 0.823 99 A HN 0.442 nan 8.150 nan 0.000 0.442 100 L N -0.680 120.456 121.223 -0.144 0.000 2.083 100 L HA -0.123 4.217 4.340 -0.001 0.000 0.209 100 L C 2.820 179.609 176.870 -0.135 0.000 1.083 100 L CA 1.055 55.813 54.840 -0.136 0.000 0.752 100 L CB -0.848 41.129 42.059 -0.136 0.000 0.899 100 L HN 0.499 nan 8.230 nan 0.000 0.433 101 G N -0.781 107.914 108.800 -0.175 0.000 2.422 101 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.218 101 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.218 101 G C 1.197 176.071 174.900 -0.044 0.000 1.146 101 G CA 0.203 45.212 45.100 -0.151 0.000 0.769 101 G HN 0.275 nan 8.290 nan 0.000 0.547 102 W N 0.939 122.142 121.300 -0.161 0.000 2.388 102 W HA 0.035 4.695 4.660 -0.000 0.000 0.294 102 W C 2.130 178.534 176.519 -0.190 0.000 1.212 102 W CA 0.921 58.154 57.345 -0.186 0.000 1.271 102 W CB -0.870 28.448 29.460 -0.237 0.000 1.126 102 W HN 0.280 nan 8.180 nan 0.000 0.535 103 D N -0.168 120.252 120.400 0.032 0.000 2.097 103 D HA -0.225 4.414 4.640 -0.001 0.000 0.195 103 D C 2.008 178.237 176.300 -0.119 0.000 0.989 103 D CA 1.761 55.706 54.000 -0.091 0.000 0.827 103 D CB -0.176 40.532 40.800 -0.153 0.000 0.966 103 D HN -0.020 nan 8.370 nan 0.000 0.456 104 Q N 0.004 119.741 119.800 -0.105 0.000 2.119 104 Q HA -0.056 4.283 4.340 -0.001 0.000 0.201 104 Q C 2.057 178.020 176.000 -0.062 0.000 0.972 104 Q CA 1.637 57.378 55.803 -0.103 0.000 0.847 104 Q CB -0.724 27.955 28.738 -0.098 0.000 0.903 104 Q HN 0.165 nan 8.270 nan 0.000 0.433 105 S N -0.956 114.730 115.700 -0.024 0.000 2.368 105 S HA -0.141 4.328 4.470 -0.001 0.000 0.225 105 S C 1.840 176.435 174.600 -0.008 0.000 1.030 105 S CA 1.519 59.720 58.200 0.002 0.000 0.999 105 S CB -0.169 63.064 63.200 0.055 0.000 0.844 105 S HN 0.521 nan 8.310 nan 0.000 0.459 106 M N 0.562 120.131 119.600 -0.052 0.000 2.132 106 M HA -0.039 4.440 4.480 -0.001 0.000 0.263 106 M C 2.108 178.368 176.300 -0.066 0.000 1.065 106 M CA 1.274 56.539 55.300 -0.059 0.000 1.122 106 M CB -0.512 31.988 32.600 -0.167 0.000 1.365 106 M HN 0.323 nan 8.290 nan 0.000 0.411 107 L N -0.044 121.100 121.223 -0.132 0.000 2.046 107 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 107 L C 1.950 178.768 176.870 -0.087 0.000 1.077 107 L CA 1.033 55.781 54.840 -0.153 0.000 0.747 107 L CB -0.797 41.178 42.059 -0.141 0.000 0.896 107 L HN 0.288 nan 8.230 nan 0.000 0.432 108 D N -1.024 119.353 120.400 -0.039 0.000 2.178 108 D HA -0.220 4.419 4.640 -0.001 0.000 0.202 108 D C 1.875 178.182 176.300 0.012 0.000 0.974 108 D CA 1.070 55.059 54.000 -0.019 0.000 0.841 108 D CB -0.147 40.651 40.800 -0.003 0.000 0.953 108 D HN 0.320 nan 8.370 nan 0.000 0.478 109 Y N 1.480 121.723 120.300 -0.094 0.000 2.200 109 Y HA -0.107 4.443 4.550 -0.001 0.000 0.290 109 Y C 2.064 177.865 175.900 -0.165 0.000 1.137 109 Y CA 1.126 59.182 58.100 -0.074 0.000 1.163 109 Y CB -0.460 37.999 38.460 -0.001 0.000 0.988 109 Y HN -0.101 nan 8.280 nan 0.000 0.518 110 L N -0.202 120.890 121.223 -0.218 0.000 2.046 110 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 110 L C 2.184 178.857 176.870 -0.329 0.000 1.077 110 L CA 1.572 56.191 54.840 -0.369 0.000 0.747 110 L CB -0.615 41.264 42.059 -0.299 0.000 0.896 110 L HN 0.152 nan 8.230 nan 0.000 0.432 111 D N -0.214 120.070 120.400 -0.193 0.000 2.117 111 D HA -0.194 4.445 4.640 -0.001 0.000 0.197 111 D C 2.203 178.383 176.300 -0.199 0.000 0.987 111 D CA 0.988 54.903 54.000 -0.142 0.000 0.829 111 D CB -0.168 40.583 40.800 -0.083 0.000 0.961 111 D HN 0.187 nan 8.370 nan 0.000 0.460 112 R N 0.688 121.059 120.500 -0.216 0.000 2.127 112 R HA -0.108 4.232 4.340 -0.001 0.000 0.238 112 R C 0.550 176.644 176.300 -0.343 0.000 1.134 112 R CA 1.321 57.295 56.100 -0.211 0.000 0.975 112 R CB -0.069 30.148 30.300 -0.137 0.000 0.865 112 R HN 0.116 nan 8.270 nan 0.000 0.447 113 N N 0.182 118.503 118.700 -0.632 0.000 2.279 113 N HA 0.138 4.878 4.740 -0.001 0.000 0.226 113 N C -0.811 174.308 175.510 -0.652 0.000 1.126 113 N CA -0.208 52.287 53.050 -0.924 0.000 0.846 113 N CB 0.562 37.751 38.487 -2.163 0.000 1.050 113 N HN 0.084 nan 8.380 nan 0.000 0.502 114 R N -0.235 120.054 120.500 -0.351 0.000 3.225 114 R HA -0.249 4.090 4.340 -0.001 0.000 0.245 114 R C 0.303 176.561 176.300 -0.071 0.000 0.928 114 R CA -0.049 55.954 56.100 -0.160 0.000 0.632 114 R CB -1.945 28.290 30.300 -0.108 0.000 1.038 114 R HN 0.347 nan 8.270 nan 0.000 0.461 115 F N 1.333 121.153 119.950 -0.217 0.000 2.120 115 F HA -0.265 4.261 4.527 -0.001 0.000 0.300 115 F C 1.924 177.753 175.800 0.050 0.000 1.095 115 F CA 2.222 60.207 58.000 -0.024 0.000 1.249 115 F CB 0.043 39.038 39.000 -0.007 0.000 0.995 115 F HN 0.171 nan 8.300 nan 0.000 0.480 116 D N 0.129 120.513 120.400 -0.026 0.000 2.218 116 D HA -0.170 4.469 4.640 -0.001 0.000 0.204 116 D C 1.977 178.227 176.300 -0.084 0.000 0.976 116 D CA 1.487 55.440 54.000 -0.078 0.000 0.853 116 D CB -0.262 40.556 40.800 0.031 0.000 0.939 116 D HN 0.574 nan 8.370 nan 0.000 0.481 117 E N -0.042 120.124 120.200 -0.056 0.000 2.250 117 E HA -0.052 4.298 4.350 -0.001 0.000 0.192 117 E C 2.219 178.812 176.600 -0.012 0.000 0.986 117 E CA 0.316 56.700 56.400 -0.028 0.000 0.849 117 E CB 0.514 30.206 29.700 -0.014 0.000 0.797 117 E HN 0.230 nan 8.360 nan 0.000 0.482 118 V N -1.654 118.257 119.914 -0.005 0.000 3.431 118 V HA 0.075 4.194 4.120 -0.001 0.000 0.253 118 V C 1.123 177.273 176.094 0.094 0.000 1.184 118 V CA -0.163 62.197 62.300 0.100 0.000 1.104 118 V CB -0.620 31.363 31.823 0.267 0.000 0.799 118 V HN 0.042 nan 8.190 nan 0.000 0.462 135 P HA 0.326 nan 4.420 nan 0.000 0.274 135 P C -0.839 176.441 177.300 -0.033 0.000 1.246 135 P CA 0.028 63.115 63.100 -0.021 0.000 0.795 135 P CB 1.324 33.022 31.700 -0.002 0.000 1.006 136 E N 0.469 120.636 120.200 -0.056 0.000 2.347 136 E HA 0.417 4.766 4.350 -0.001 0.000 0.285 136 E C -1.270 175.225 176.600 -0.175 0.000 0.925 136 E CA -0.572 55.747 56.400 -0.136 0.000 0.779 136 E CB 1.384 30.944 29.700 -0.234 0.000 1.233 136 E HN 0.311 nan 8.360 nan 0.000 0.414 137 I N 4.240 124.720 120.570 -0.150 0.000 2.336 137 I HA 0.271 4.441 4.170 -0.001 0.000 0.292 137 I C -0.753 175.232 176.117 -0.220 0.000 0.991 137 I CA -0.793 60.451 61.300 -0.093 0.000 1.227 137 I CB 0.698 38.711 38.000 0.021 0.000 1.366 137 I HN 0.501 nan 8.210 nan 0.000 0.466 138 Y N 7.398 127.593 120.300 -0.175 0.000 2.336 138 Y HA 0.218 4.767 4.550 -0.001 0.000 0.335 138 Y C -1.580 174.103 175.900 -0.362 0.000 1.046 138 Y CA -1.992 55.925 58.100 -0.306 0.000 1.198 138 Y CB 0.788 39.002 38.460 -0.410 0.000 1.182 138 Y HN 0.388 nan 8.280 nan 0.000 0.502 139 P HA 0.095 nan 4.420 nan 0.000 0.220 139 P C -0.719 176.364 177.300 -0.363 0.000 1.778 139 P CA 0.544 63.563 63.100 -0.135 0.000 0.912 139 P CB -0.201 31.693 31.700 0.324 0.000 1.861 140 I N 0.733 120.887 120.570 -0.695 0.000 2.465 140 I HA 0.244 4.413 4.170 -0.001 0.000 0.291 140 I C 0.572 176.102 176.117 -0.979 0.000 1.014 140 I CA -1.031 59.904 61.300 -0.608 0.000 1.093 140 I CB 1.597 39.383 38.000 -0.357 0.000 1.267 140 I HN 0.010 nan 8.210 nan 0.000 0.431 141 Y N 2.160 122.129 120.300 -0.553 0.000 2.441 141 Y HA 0.149 4.698 4.550 -0.001 0.000 0.266 141 Y C 0.800 176.139 175.900 -0.935 0.000 1.093 141 Y CA -0.253 57.275 58.100 -0.954 0.000 1.246 141 Y CB 0.349 37.880 38.460 -1.549 0.000 1.262 141 Y HN 0.526 nan 8.280 nan 0.000 0.518 142 W N 1.482 122.810 121.300 0.046 0.000 2.862 142 W HA 0.380 5.039 4.660 -0.001 0.000 0.426 142 W C 0.495 176.935 176.519 -0.133 0.000 0.950 142 W CA -0.596 56.745 57.345 -0.007 0.000 2.150 142 W CB 0.143 29.661 29.460 0.096 0.000 1.161 142 W HN -0.194 nan 8.180 nan 0.000 0.696 143 S N -0.255 115.341 115.700 -0.174 0.000 2.584 143 S HA 0.040 4.509 4.470 -0.001 0.000 0.270 143 S C 1.105 175.508 174.600 -0.329 0.000 1.346 143 S CA -0.238 57.603 58.200 -0.599 0.000 1.018 143 S CB 1.301 64.190 63.200 -0.518 0.000 0.899 143 S HN 0.420 nan 8.310 nan 0.000 0.542 144 Q N 1.254 120.884 119.800 -0.284 0.000 2.170 144 Q HA -0.107 4.232 4.340 -0.001 0.000 0.203 144 Q C 2.511 178.387 176.000 -0.206 0.000 0.976 144 Q CA 1.460 57.235 55.803 -0.047 0.000 0.858 144 Q CB -0.558 28.193 28.738 0.022 0.000 0.907 144 Q HN 0.941 nan 8.270 nan 0.000 0.433 145 A N 1.002 123.632 122.820 -0.316 0.000 1.877 145 A HA -0.268 4.052 4.320 -0.001 0.000 0.216 145 A C 1.972 179.021 177.584 -0.891 0.000 1.186 145 A CA 1.529 53.201 52.037 -0.608 0.000 0.620 145 A CB -0.494 18.267 19.000 -0.398 0.000 0.822 145 A HN 0.334 nan 8.150 nan 0.000 0.443 146 Q N -1.418 118.016 119.800 -0.611 0.000 2.050 146 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 146 Q C 2.256 177.913 176.000 -0.572 0.000 0.980 146 Q CA 1.634 57.093 55.803 -0.574 0.000 0.840 146 Q CB -0.237 28.247 28.738 -0.424 0.000 0.898 146 Q HN 0.531 nan 8.270 nan 0.000 0.424 147 M N 0.087 119.336 119.600 -0.584 0.000 2.200 147 M HA -0.125 4.355 4.480 -0.001 0.000 0.265 147 M C 1.992 177.906 176.300 -0.644 0.000 1.066 147 M CA 1.356 56.188 55.300 -0.780 0.000 1.127 147 M CB -0.661 30.948 32.600 -1.652 0.000 1.379 147 M HN 0.182 nan 8.290 nan 0.000 0.420 148 Q N -0.180 119.331 119.800 -0.481 0.000 2.124 148 Q HA -0.040 4.299 4.340 -0.001 0.000 0.202 148 Q C 2.192 178.020 176.000 -0.288 0.000 0.977 148 Q CA 1.768 57.446 55.803 -0.208 0.000 0.850 148 Q CB -0.642 28.078 28.738 -0.029 0.000 0.901 148 Q HN 0.547 nan 8.270 nan 0.000 0.429 149 A N 1.206 123.597 122.820 -0.715 0.000 1.902 149 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 149 A C 2.175 179.593 177.584 -0.277 0.000 1.181 149 A CA 1.380 52.936 52.037 -0.802 0.000 0.623 149 A CB -0.425 17.721 19.000 -1.423 0.000 0.818 149 A HN 0.266 nan 8.150 nan 0.000 0.443 150 R N -0.182 120.154 120.500 -0.273 0.000 2.096 150 R HA -0.151 4.188 4.340 -0.001 0.000 0.235 150 R C 2.042 178.345 176.300 0.004 0.000 1.127 150 R CA 1.612 57.653 56.100 -0.099 0.000 0.968 150 R CB -0.247 29.974 30.300 -0.132 0.000 0.861 150 R HN 0.894 nan 8.270 nan 0.000 0.440 151 Q N 0.681 120.475 119.800 -0.010 0.000 2.246 151 Q HA 0.134 4.473 4.340 -0.001 0.000 0.202 151 Q C -0.179 175.923 176.000 0.170 0.000 0.883 151 Q CA -0.163 55.702 55.803 0.104 0.000 0.952 151 Q CB 0.674 29.477 28.738 0.108 0.000 1.078 151 Q HN 0.050 nan 8.270 nan 0.000 0.493 152 S N -0.072 115.731 115.700 0.171 0.000 2.584 152 S HA 0.034 4.503 4.470 -0.001 0.000 0.270 152 S C 0.843 175.607 174.600 0.273 0.000 1.346 152 S CA -0.251 58.091 58.200 0.236 0.000 1.018 152 S CB 1.407 64.826 63.200 0.364 0.000 0.899 152 S HN 0.313 nan 8.310 nan 0.000 0.542 153 E N 1.095 121.432 120.200 0.228 0.000 2.106 153 E HA -0.120 4.229 4.350 -0.001 0.000 0.192 153 E C 1.587 178.339 176.600 0.253 0.000 0.984 153 E CA 1.645 58.194 56.400 0.248 0.000 0.806 153 E CB -0.393 29.404 29.700 0.162 0.000 0.750 153 E HN 0.815 nan 8.360 nan 0.000 0.458 154 E N -0.466 119.846 120.200 0.186 0.000 2.077 154 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 154 E C 1.817 178.509 176.600 0.154 0.000 0.989 154 E CA 1.535 57.936 56.400 0.002 0.000 0.800 154 E CB -0.283 29.080 29.700 -0.561 0.000 0.746 154 E HN 0.256 nan 8.360 nan 0.000 0.452 155 M N 0.466 120.186 119.600 0.201 0.000 2.132 155 M HA 0.019 4.498 4.480 -0.001 0.000 0.263 155 M C 1.990 178.425 176.300 0.224 0.000 1.065 155 M CA 1.660 57.129 55.300 0.282 0.000 1.122 155 M CB -0.483 32.291 32.600 0.289 0.000 1.365 155 M HN 0.101 nan 8.290 nan 0.000 0.411 156 A N 0.294 123.232 122.820 0.197 0.000 1.908 156 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 156 A C 1.996 179.629 177.584 0.082 0.000 1.181 156 A CA 2.088 54.184 52.037 0.099 0.000 0.627 156 A CB -1.031 18.016 19.000 0.078 0.000 0.818 156 A HN 0.630 nan 8.150 nan 0.000 0.445 157 N N 0.429 119.223 118.700 0.157 0.000 2.120 157 N HA -0.103 4.636 4.740 -0.001 0.000 0.188 157 N C 1.895 177.456 175.510 0.086 0.000 1.024 157 N CA 1.633 54.763 53.050 0.134 0.000 0.852 157 N CB -0.619 37.992 38.487 0.206 0.000 1.003 157 N HN 0.474 nan 8.380 nan 0.000 0.424 158 A N 1.153 124.023 122.820 0.083 0.000 1.898 158 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 158 A C 2.166 179.618 177.584 -0.219 0.000 1.181 158 A CA 1.261 53.223 52.037 -0.125 0.000 0.620 158 A CB -0.576 18.270 19.000 -0.258 0.000 0.819 158 A HN 0.335 nan 8.150 nan 0.000 0.442 159 Q N -0.757 118.951 119.800 -0.154 0.000 2.124 159 Q HA -0.128 4.212 4.340 -0.001 0.000 0.202 159 Q C 2.440 178.364 176.000 -0.126 0.000 0.977 159 Q CA 1.571 57.261 55.803 -0.189 0.000 0.850 159 Q CB -0.235 28.455 28.738 -0.079 0.000 0.901 159 Q HN 0.672 nan 8.270 nan 0.000 0.429 160 S N 0.138 115.804 115.700 -0.056 0.000 2.356 160 S HA -0.176 4.293 4.470 -0.001 0.000 0.223 160 S C 1.663 176.261 174.600 -0.003 0.000 1.032 160 S CA 0.977 59.157 58.200 -0.032 0.000 1.005 160 S CB -0.319 62.878 63.200 -0.006 0.000 0.867 160 S HN 0.460 nan 8.310 nan 0.000 0.449 161 F N 2.140 122.019 119.950 -0.119 0.000 2.069 161 F HA -0.056 4.470 4.527 -0.001 0.000 0.298 161 F C 1.847 177.580 175.800 -0.111 0.000 1.113 161 F CA 1.732 59.661 58.000 -0.118 0.000 1.214 161 F CB -0.534 38.358 39.000 -0.180 0.000 0.978 161 F HN 0.212 nan 8.300 nan 0.000 0.474 162 L N 0.217 121.268 121.223 -0.287 0.000 2.017 162 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 162 L C 2.262 179.182 176.870 0.084 0.000 1.073 162 L CA 1.372 55.978 54.840 -0.390 0.000 0.745 162 L CB -0.928 40.670 42.059 -0.769 0.000 0.894 162 L HN 0.175 nan 8.230 nan 0.000 0.432 163 N N 0.372 119.119 118.700 0.078 0.000 2.223 163 N HA -0.143 4.596 4.740 -0.001 0.000 0.185 163 N C 1.740 177.497 175.510 0.411 0.000 1.016 163 N CA 1.056 54.243 53.050 0.229 0.000 0.863 163 N CB -0.210 38.264 38.487 -0.022 0.000 0.983 163 N HN 0.316 nan 8.380 nan 0.000 0.429 164 R N 0.365 120.979 120.500 0.190 0.000 2.323 164 R HA 0.157 4.496 4.340 -0.001 0.000 0.198 164 R C 1.547 177.962 176.300 0.192 0.000 0.988 164 R CA 0.098 56.358 56.100 0.267 0.000 1.041 164 R CB -0.012 30.358 30.300 0.118 0.000 0.926 164 R HN 0.231 nan 8.270 nan 0.000 0.476 165 L N -1.003 120.297 121.223 0.129 0.000 2.418 165 L HA 0.004 4.344 4.340 -0.001 0.000 0.218 165 L C 0.348 177.264 176.870 0.076 0.000 1.125 165 L CA 0.240 55.023 54.840 -0.096 0.000 0.835 165 L CB -0.035 41.838 42.059 -0.309 0.000 0.953 165 L HN 0.136 nan 8.230 nan 0.000 0.454 166 W N -0.166 121.326 121.300 0.320 0.000 2.303 166 W HA 0.192 4.851 4.660 -0.001 0.000 0.334 166 W C 0.574 177.233 176.519 0.233 0.000 1.197 166 W CA -0.319 57.295 57.345 0.448 0.000 1.262 166 W CB 0.558 30.413 29.460 0.659 0.000 1.153 166 W HN -0.339 nan 8.180 nan 0.000 0.596 167 T N 4.258 119.011 114.554 0.332 0.000 2.875 167 T HA 0.108 4.458 4.350 -0.001 0.000 0.307 167 T C 0.474 175.108 174.700 -0.111 0.000 1.013 167 T CA -0.427 61.656 62.100 -0.028 0.000 0.970 167 T CB -0.529 68.328 68.868 -0.019 0.000 0.986 167 T HN 0.313 nan 8.240 nan 0.000 0.536 168 F N 0.382 120.242 119.950 -0.150 0.000 2.749 168 F HA 0.488 5.015 4.527 -0.001 0.000 0.300 168 F C 0.610 176.279 175.800 -0.219 0.000 1.103 168 F CA -0.671 57.048 58.000 -0.468 0.000 1.342 168 F CB 0.188 38.526 39.000 -1.104 0.000 1.098 168 F HN 0.258 nan 8.300 nan 0.000 0.586 169 E N 1.824 121.732 120.200 -0.486 0.000 2.165 169 E HA 0.466 4.815 4.350 -0.001 0.000 0.266 169 E C -0.939 175.575 176.600 -0.144 0.000 0.889 169 E CA -0.550 55.702 56.400 -0.246 0.000 0.756 169 E CB 1.876 31.375 29.700 -0.335 0.000 1.131 169 E HN 0.290 nan 8.360 nan 0.000 0.411 170 S N 1.732 117.434 115.700 0.004 0.000 2.543 170 S HA 0.315 4.785 4.470 -0.001 0.000 0.271 170 S C -0.682 173.977 174.600 0.099 0.000 1.148 170 S CA -0.979 57.261 58.200 0.066 0.000 0.914 170 S CB 1.366 64.635 63.200 0.116 0.000 1.096 170 S HN 0.535 nan 8.310 nan 0.000 0.471 171 D N 1.362 121.803 120.400 0.069 0.000 2.697 171 D HA -0.010 4.630 4.640 -0.001 0.000 0.238 171 D C 1.110 177.411 176.300 0.002 0.000 1.152 171 D CA 2.037 56.069 54.000 0.053 0.000 0.666 171 D CB -1.390 39.470 40.800 0.101 0.000 1.037 171 D HN 1.855 nan 8.370 nan 0.000 0.423 172 G N 0.154 108.939 108.800 -0.025 0.000 2.258 172 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.274 172 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.274 172 G C 0.221 175.058 174.900 -0.105 0.000 1.021 172 G CA 0.902 45.969 45.100 -0.055 0.000 0.798 172 G HN 0.677 nan 8.290 nan 0.000 0.507 173 K N -0.432 119.880 120.400 -0.147 0.000 2.513 173 K HA 0.511 4.830 4.320 -0.001 0.000 0.251 173 K C -0.496 175.890 176.600 -0.357 0.000 0.939 173 K CA -0.793 55.309 56.287 -0.309 0.000 0.793 173 K CB 1.272 33.477 32.500 -0.491 0.000 1.241 173 K HN 0.143 nan 8.250 nan 0.000 0.431 174 Q N 3.942 123.547 119.800 -0.325 0.000 2.368 174 Q HA 0.166 4.505 4.340 -0.001 0.000 0.256 174 Q C -0.442 175.373 176.000 -0.308 0.000 0.980 174 Q CA -0.457 55.235 55.803 -0.186 0.000 0.887 174 Q CB 0.602 29.322 28.738 -0.031 0.000 1.221 174 Q HN 0.736 nan 8.270 nan 0.000 0.458 175 W N 4.404 125.604 121.300 -0.167 0.000 2.436 175 W HA 0.027 4.686 4.660 -0.001 0.000 0.284 175 W C 0.210 176.703 176.519 -0.043 0.000 1.225 175 W CA 0.232 57.470 57.345 -0.178 0.000 1.271 175 W CB 0.311 29.604 29.460 -0.279 0.000 1.114 175 W HN 0.603 nan 8.180 nan 0.000 0.559 176 F N -2.484 117.557 119.950 0.153 0.000 2.713 176 F HA 0.385 4.912 4.527 -0.001 0.000 0.311 176 F C -1.027 174.718 175.800 -0.092 0.000 1.141 176 F CA -2.609 55.406 58.000 0.025 0.000 0.939 176 F CB 0.348 39.371 39.000 0.038 0.000 1.325 176 F HN -0.365 nan 8.300 nan 0.000 0.453 177 N N 3.446 122.296 118.700 0.250 0.000 2.437 177 N HA 0.389 5.129 4.740 -0.001 0.000 0.243 177 N C -1.848 173.676 175.510 0.023 0.000 1.041 177 N CA -2.775 50.298 53.050 0.037 0.000 0.940 177 N CB 1.294 39.782 38.487 0.003 0.000 1.133 177 N HN 0.472 nan 8.380 nan 0.000 0.506 178 P HA -0.023 nan 4.420 nan 0.000 0.223 178 P C -0.155 177.061 177.300 -0.140 0.000 1.151 178 P CA 0.874 63.882 63.100 -0.154 0.000 0.787 178 P CB 0.564 32.012 31.700 -0.421 0.000 0.788 179 D N -0.419 119.904 120.400 -0.129 0.000 2.340 179 D HA 0.077 4.716 4.640 -0.001 0.000 0.220 179 D C 0.355 176.590 176.300 -0.108 0.000 1.039 179 D CA 0.445 54.386 54.000 -0.098 0.000 0.866 179 D CB 0.563 41.320 40.800 -0.072 0.000 0.913 179 D HN 0.094 nan 8.370 nan 0.000 0.523 180 V N 0.559 120.413 119.914 -0.099 0.000 2.569 180 V HA 0.292 4.411 4.120 -0.001 0.000 0.301 180 V C -0.289 175.752 176.094 -0.088 0.000 1.044 180 V CA -0.640 61.605 62.300 -0.093 0.000 0.874 180 V CB 2.218 34.004 31.823 -0.062 0.000 1.002 180 V HN -0.177 nan 8.190 nan 0.000 0.424 181 S N 2.771 118.425 115.700 -0.077 0.000 2.503 181 S HA 0.598 5.067 4.470 -0.001 0.000 0.301 181 S C -0.329 174.264 174.600 -0.012 0.000 1.087 181 S CA -0.421 57.737 58.200 -0.070 0.000 1.042 181 S CB 2.110 65.269 63.200 -0.067 0.000 1.043 181 S HN 0.630 nan 8.310 nan 0.000 0.489 182 V N 4.239 124.156 119.914 0.006 0.000 2.924 182 V HA 0.254 4.373 4.120 -0.001 0.000 0.305 182 V C -0.246 175.926 176.094 0.130 0.000 1.073 182 V CA -0.444 61.898 62.300 0.070 0.000 1.098 182 V CB 0.342 32.228 31.823 0.105 0.000 1.000 182 V HN 0.689 nan 8.190 nan 0.000 0.484 183 I N 6.543 127.200 120.570 0.145 0.000 2.505 183 I HA 0.081 4.250 4.170 -0.001 0.000 0.287 183 I C -0.408 175.875 176.117 0.277 0.000 1.104 183 I CA 0.427 61.826 61.300 0.165 0.000 1.387 183 I CB -0.094 37.986 38.000 0.133 0.000 1.404 183 I HN 0.710 nan 8.210 nan 0.000 0.528 184 Y N 9.832 130.216 120.300 0.141 0.000 2.842 184 Y HA 0.411 4.960 4.550 -0.001 0.000 0.334 184 Y C -2.051 173.949 175.900 0.168 0.000 1.019 184 Y CA -2.927 55.301 58.100 0.213 0.000 1.258 184 Y CB 0.720 39.267 38.460 0.145 0.000 1.106 184 Y HN 0.416 nan 8.280 nan 0.000 0.545 185 P HA 0.048 nan 4.420 nan 0.000 0.263 185 P C -0.600 176.503 177.300 -0.329 0.000 1.195 185 P CA 0.651 63.575 63.100 -0.294 0.000 0.762 185 P CB 1.498 32.896 31.700 -0.503 0.000 0.799 186 D N 2.284 122.551 120.400 -0.221 0.000 2.614 186 D HA 0.357 4.997 4.640 -0.001 0.000 0.264 186 D C -0.092 176.013 176.300 -0.325 0.000 1.092 186 D CA -0.764 53.111 54.000 -0.208 0.000 1.071 186 D CB 2.309 43.206 40.800 0.162 0.000 1.443 186 D HN 0.198 nan 8.370 nan 0.000 0.528 187 R N 0.143 120.464 120.500 -0.299 0.000 2.553 187 R HA 0.488 4.828 4.340 -0.001 0.000 0.263 187 R C -0.059 176.195 176.300 -0.076 0.000 1.066 187 R CA -0.747 55.134 56.100 -0.366 0.000 1.135 187 R CB 1.191 31.314 30.300 -0.294 0.000 1.148 187 R HN 0.336 nan 8.270 nan 0.000 0.558 188 I N 1.118 121.601 120.570 -0.145 0.000 2.493 188 I HA 0.311 4.480 4.170 -0.001 0.000 0.298 188 I C -0.580 175.530 176.117 -0.010 0.000 0.998 188 I CA -0.788 60.437 61.300 -0.126 0.000 1.137 188 I CB 1.541 39.425 38.000 -0.193 0.000 1.310 188 I HN 0.560 nan 8.210 nan 0.000 0.445 189 R N 7.412 127.868 120.500 -0.074 0.000 2.445 189 R HA 0.585 4.924 4.340 -0.001 0.000 0.308 189 R C -1.194 175.099 176.300 -0.012 0.000 0.961 189 R CA -0.665 55.434 56.100 -0.002 0.000 0.862 189 R CB 1.290 31.595 30.300 0.008 0.000 1.144 189 R HN 0.656 nan 8.270 nan 0.000 0.447 190 R N 4.026 124.576 120.500 0.084 0.000 2.532 190 R HA 0.380 4.720 4.340 -0.001 0.000 0.297 190 R C -0.812 175.567 176.300 0.131 0.000 0.984 190 R CA -0.887 55.303 56.100 0.150 0.000 0.884 190 R CB 2.507 32.974 30.300 0.278 0.000 1.182 190 R HN 0.498 nan 8.270 nan 0.000 0.442 191 R N 3.090 123.666 120.500 0.126 0.000 2.422 191 R HA 0.319 4.658 4.340 -0.001 0.000 0.307 191 R C -2.448 173.784 176.300 -0.113 0.000 1.004 191 R CA -1.755 54.351 56.100 0.010 0.000 0.882 191 R CB 2.165 32.452 30.300 -0.021 0.000 1.164 191 R HN 0.345 nan 8.270 nan 0.000 0.489 192 P HA 0.232 nan 4.420 nan 0.000 0.276 192 P C -2.629 174.204 177.300 -0.778 0.000 1.252 192 P CA -2.003 60.428 63.100 -1.115 0.000 0.802 192 P CB 0.483 31.651 31.700 -0.888 0.000 1.035 193 P HA 0.038 nan 4.420 nan 0.000 0.265 193 P C 1.044 178.157 177.300 -0.312 0.000 1.187 193 P CA 1.624 64.432 63.100 -0.488 0.000 0.766 193 P CB -0.255 31.187 31.700 -0.430 0.000 0.820 194 G N 1.098 109.781 108.800 -0.195 0.000 2.213 194 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.236 194 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.236 194 G C 0.391 175.224 174.900 -0.112 0.000 0.991 194 G CA 0.001 45.021 45.100 -0.132 0.000 0.629 194 G HN 0.606 nan 8.290 nan 0.000 0.517 195 T N 2.049 116.522 114.554 -0.135 0.000 2.934 195 T HA 0.453 4.802 4.350 -0.001 0.000 0.306 195 T C 0.262 174.926 174.700 -0.060 0.000 1.042 195 T CA 1.377 63.420 62.100 -0.095 0.000 1.145 195 T CB 0.962 69.770 68.868 -0.100 0.000 0.982 195 T HN 0.283 nan 8.240 nan 0.000 0.544 196 T N 2.904 117.433 114.554 -0.041 0.000 2.840 196 T HA 0.558 4.907 4.350 -0.001 0.000 0.287 196 T C -0.585 174.107 174.700 -0.014 0.000 0.991 196 T CA -0.594 61.491 62.100 -0.025 0.000 0.964 196 T CB 1.419 70.274 68.868 -0.021 0.000 0.954 196 T HN 0.532 nan 8.240 nan 0.000 0.438 197 S N 1.693 117.390 115.700 -0.006 0.000 2.540 197 S HA 0.406 4.875 4.470 -0.001 0.000 0.275 197 S C 0.532 175.137 174.600 0.008 0.000 1.123 197 S CA -0.818 57.384 58.200 0.003 0.000 0.907 197 S CB 1.137 64.342 63.200 0.009 0.000 1.081 197 S HN 0.461 nan 8.310 nan 0.000 0.476 198 K N 2.123 122.529 120.400 0.010 0.000 2.439 198 K HA 0.201 4.521 4.320 -0.001 0.000 0.197 198 K C 1.294 177.902 176.600 0.014 0.000 1.041 198 K CA 0.943 57.236 56.287 0.010 0.000 0.970 198 K CB -0.879 31.626 32.500 0.009 0.000 0.773 198 K HN 1.072 nan 8.250 nan 0.000 0.479 199 G N 0.986 109.800 108.800 0.023 0.000 2.741 199 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.222 199 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.222 199 G C -0.891 174.031 174.900 0.038 0.000 1.364 199 G CA -0.684 44.437 45.100 0.035 0.000 0.866 199 G HN 0.152 nan 8.290 nan 0.000 0.555 200 L N 0.726 121.981 121.223 0.054 0.000 2.385 200 L HA 0.653 4.992 4.340 -0.001 0.000 0.273 200 L C 1.266 178.173 176.870 0.063 0.000 0.990 200 L CA -0.483 54.389 54.840 0.053 0.000 0.821 200 L CB 1.951 44.064 42.059 0.090 0.000 1.279 200 L HN 1.126 nan 8.230 nan 0.000 0.412 201 G N 1.508 110.334 108.800 0.044 0.000 2.594 201 G HA2 0.410 4.369 3.960 -0.001 0.000 0.243 201 G HA3 0.410 4.369 3.960 -0.001 0.000 0.243 201 G C 0.155 175.142 174.900 0.146 0.000 1.229 201 G CA -0.153 44.986 45.100 0.065 0.000 0.843 201 G HN 0.777 nan 8.290 nan 0.000 0.578 202 A N 1.828 124.705 122.820 0.095 0.000 2.511 202 A HA 0.560 4.879 4.320 -0.001 0.000 0.242 202 A C 0.501 178.150 177.584 0.108 0.000 1.069 202 A CA 0.370 52.438 52.037 0.052 0.000 0.763 202 A CB -0.129 18.878 19.000 0.012 0.000 1.001 202 A HN 1.415 nan 8.150 nan 0.000 0.498 203 H N -0.480 118.492 119.070 -0.163 0.000 2.887 203 H HA 0.685 5.241 4.556 -0.001 0.000 0.290 203 H C -0.988 174.251 175.328 -0.149 0.000 1.429 203 H CA -0.128 55.844 56.048 -0.126 0.000 1.137 203 H CB 0.498 30.198 29.762 -0.103 0.000 1.824 203 H HN 0.863 nan 8.280 nan 0.000 0.520 204 T N -0.982 113.558 114.554 -0.025 0.000 2.916 204 T HA 0.488 4.837 4.350 -0.001 0.000 0.292 204 T C -0.737 174.108 174.700 0.242 0.000 1.055 204 T CA -0.760 61.384 62.100 0.074 0.000 1.009 204 T CB 2.882 71.793 68.868 0.072 0.000 1.118 204 T HN 0.557 nan 8.240 nan 0.000 0.497 205 D N -0.035 120.543 120.400 0.297 0.000 2.658 205 D HA 0.484 5.123 4.640 -0.001 0.000 0.243 205 D C 0.066 176.469 176.300 0.172 0.000 1.159 205 D CA -0.550 53.604 54.000 0.256 0.000 1.084 205 D CB 1.073 42.046 40.800 0.288 0.000 1.227 205 D HN 0.690 nan 8.370 nan 0.000 0.636 206 S N -0.779 115.000 115.700 0.132 0.000 3.698 206 S HA 0.025 4.495 4.470 -0.001 0.000 0.338 206 S C 0.378 175.096 174.600 0.197 0.000 1.089 206 S CA 0.792 59.076 58.200 0.140 0.000 0.991 206 S CB -1.444 61.857 63.200 0.169 0.000 0.909 206 S HN 1.057 nan 8.310 nan 0.000 0.485 207 G N -1.187 107.695 108.800 0.137 0.000 2.697 207 G HA2 0.458 4.418 3.960 -0.001 0.000 0.686 207 G HA3 0.458 4.418 3.960 -0.001 0.000 0.686 207 G C -0.019 174.935 174.900 0.092 0.000 1.179 207 G CA 0.174 45.345 45.100 0.120 0.000 0.765 207 G HN 1.407 nan 8.290 nan 0.000 0.649 208 A N 0.569 123.460 122.820 0.117 0.000 1.962 208 A HA 0.734 5.053 4.320 -0.001 0.000 0.202 208 A C 2.193 179.978 177.584 0.335 0.000 2.303 208 A CA 1.237 53.391 52.037 0.196 0.000 1.341 208 A CB -0.748 18.367 19.000 0.192 0.000 1.044 208 A HN 1.985 nan 8.150 nan 0.000 0.583 209 L N 0.811 122.237 121.223 0.337 0.000 2.127 209 L HA -0.140 4.199 4.340 -0.001 0.000 0.211 209 L C 1.913 179.045 176.870 0.436 0.000 1.089 209 L CA 2.662 57.764 54.840 0.436 0.000 0.757 209 L CB -0.803 41.476 42.059 0.367 0.000 0.899 209 L HN 0.564 nan 8.230 nan 0.000 0.434 210 E N -0.408 119.890 120.200 0.163 0.000 2.160 210 E HA -0.213 4.136 4.350 -0.001 0.000 0.195 210 E C 2.203 178.957 176.600 0.257 0.000 0.991 210 E CA 1.238 57.644 56.400 0.009 0.000 0.810 210 E CB -0.231 29.343 29.700 -0.210 0.000 0.742 210 E HN 0.467 nan 8.360 nan 0.000 0.466 211 R N -0.673 119.855 120.500 0.047 0.000 2.241 211 R HA -0.087 4.252 4.340 -0.001 0.000 0.224 211 R C 1.413 177.655 176.300 -0.098 0.000 1.101 211 R CA 1.035 56.923 56.100 -0.353 0.000 0.995 211 R CB -0.014 29.799 30.300 -0.812 0.000 0.870 211 R HN 0.344 nan 8.270 nan 0.000 0.463 212 W N -0.848 120.552 121.300 0.167 0.000 2.777 212 W HA 0.187 4.846 4.660 -0.001 0.000 0.260 212 W C 1.418 178.065 176.519 0.215 0.000 1.194 212 W CA 0.081 57.507 57.345 0.136 0.000 1.447 212 W CB 0.113 29.589 29.460 0.026 0.000 1.009 212 W HN 0.015 nan 8.180 nan 0.000 0.613 213 L N 0.114 121.641 121.223 0.505 0.000 2.513 213 L HA 0.129 4.468 4.340 -0.001 0.000 0.222 213 L C 0.594 177.670 176.870 0.345 0.000 1.096 213 L CA 0.038 55.151 54.840 0.456 0.000 0.857 213 L CB -0.369 41.967 42.059 0.462 0.000 1.026 213 L HN -0.254 nan 8.230 nan 0.000 0.469 214 L N 1.515 122.928 121.223 0.317 0.000 2.360 214 L HA 0.203 4.542 4.340 -0.001 0.000 0.276 214 L C -1.432 175.526 176.870 0.145 0.000 1.121 214 L CA -1.496 53.472 54.840 0.212 0.000 0.845 214 L CB 0.833 42.984 42.059 0.154 0.000 1.143 214 L HN -0.228 nan 8.230 nan 0.000 0.452 215 P HA -0.185 nan 4.420 nan 0.000 0.216 215 P C 1.191 178.478 177.300 -0.022 0.000 1.150 215 P CA 1.931 65.028 63.100 -0.005 0.000 0.843 215 P CB 0.212 31.894 31.700 -0.029 0.000 0.787 216 A N -1.609 121.183 122.820 -0.047 0.000 1.902 216 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 216 A C 2.036 179.555 177.584 -0.108 0.000 1.181 216 A CA 1.556 53.515 52.037 -0.130 0.000 0.623 216 A CB -1.924 16.952 19.000 -0.208 0.000 0.818 216 A HN 0.127 nan 8.150 nan 0.000 0.443 217 Y N -0.021 120.271 120.300 -0.013 0.000 2.373 217 Y HA -0.101 4.448 4.550 -0.001 0.000 0.293 217 Y C 2.667 178.655 175.900 0.147 0.000 1.129 217 Y CA 1.187 59.299 58.100 0.019 0.000 1.226 217 Y CB -0.171 38.388 38.460 0.165 0.000 1.000 217 Y HN 0.323 nan 8.280 nan 0.000 0.549 218 Q N 0.060 120.044 119.800 0.306 0.000 2.167 218 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 218 Q C 2.169 178.287 176.000 0.197 0.000 0.970 218 Q CA 1.179 57.167 55.803 0.308 0.000 0.855 218 Q CB -0.133 28.701 28.738 0.161 0.000 0.911 218 Q HN 0.525 nan 8.270 nan 0.000 0.438 219 R N -0.498 120.016 120.500 0.023 0.000 2.062 219 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 219 R C 2.408 178.688 176.300 -0.033 0.000 1.125 219 R CA 0.993 57.032 56.100 -0.103 0.000 0.966 219 R CB -0.393 29.628 30.300 -0.465 0.000 0.861 219 R HN 0.040 nan 8.270 nan 0.000 0.433 220 V N 0.814 120.680 119.914 -0.080 0.000 2.332 220 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 220 V C 1.338 177.317 176.094 -0.191 0.000 1.055 220 V CA 1.691 63.874 62.300 -0.195 0.000 1.038 220 V CB -0.359 31.200 31.823 -0.440 0.000 0.651 220 V HN 0.166 nan 8.190 nan 0.000 0.450 221 F N -0.068 119.964 119.950 0.136 0.000 2.668 221 F HA 0.526 5.052 4.527 -0.001 0.000 0.297 221 F C 1.745 177.528 175.800 -0.029 0.000 1.124 221 F CA -0.170 57.775 58.000 -0.093 0.000 1.353 221 F CB -1.057 37.730 39.000 -0.355 0.000 0.992 221 F HN 0.009 nan 8.300 nan 0.000 0.524 222 A N 0.676 123.625 122.820 0.216 0.000 1.892 222 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 222 A C 2.183 179.854 177.584 0.145 0.000 1.188 222 A CA 2.033 54.190 52.037 0.200 0.000 0.631 222 A CB -0.511 18.563 19.000 0.123 0.000 0.822 222 A HN 0.343 nan 8.150 nan 0.000 0.447 223 N N -0.352 118.418 118.700 0.117 0.000 2.550 223 N HA -0.009 4.730 4.740 -0.001 0.000 0.186 223 N C 1.404 176.920 175.510 0.009 0.000 1.110 223 N CA 1.015 54.118 53.050 0.088 0.000 0.912 223 N CB 0.050 38.612 38.487 0.124 0.000 0.968 223 N HN 0.346 nan 8.380 nan 0.000 0.448 224 V N -0.153 119.678 119.914 -0.138 0.000 2.374 224 V HA -0.020 4.099 4.120 -0.001 0.000 0.241 224 V C 1.429 177.371 176.094 -0.254 0.000 1.034 224 V CA 0.932 63.014 62.300 -0.363 0.000 1.037 224 V CB -0.442 30.887 31.823 -0.823 0.000 0.682 224 V HN 0.038 nan 8.190 nan 0.000 0.463 225 F N 2.310 122.261 119.950 0.002 0.000 2.604 225 F HA -0.015 4.512 4.527 -0.001 0.000 0.298 225 F C 1.822 177.645 175.800 0.039 0.000 1.131 225 F CA 0.889 58.907 58.000 0.030 0.000 1.457 225 F CB -0.772 38.274 39.000 0.077 0.000 1.095 225 F HN 0.487 nan 8.300 nan 0.000 0.574 226 N N -1.001 117.805 118.700 0.176 0.000 2.205 226 N HA 0.208 4.947 4.740 -0.001 0.000 0.201 226 N C 1.493 177.048 175.510 0.075 0.000 1.128 226 N CA 0.681 53.803 53.050 0.121 0.000 0.867 226 N CB 0.175 38.725 38.487 0.105 0.000 0.996 226 N HN 0.173 nan 8.380 nan 0.000 0.503 227 G N 0.380 109.214 108.800 0.057 0.000 2.176 227 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.253 227 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.253 227 G C -0.225 174.690 174.900 0.026 0.000 0.979 227 G CA 0.136 45.257 45.100 0.035 0.000 0.641 227 G HN 0.551 nan 8.290 nan 0.000 0.530 228 N N 1.424 120.143 118.700 0.032 0.000 3.259 228 N HA 0.332 5.072 4.740 -0.001 0.000 0.308 228 N C 1.653 177.186 175.510 0.039 0.000 1.334 228 N CA -0.698 52.371 53.050 0.032 0.000 1.202 228 N CB 0.199 38.708 38.487 0.036 0.000 1.485 228 N HN 0.130 nan 8.380 nan 0.000 0.549 229 L N 0.598 121.838 121.223 0.028 0.000 2.129 229 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 229 L C 2.445 179.354 176.870 0.065 0.000 1.087 229 L CA 1.421 56.287 54.840 0.044 0.000 0.757 229 L CB -1.248 40.814 42.059 0.006 0.000 0.896 229 L HN 0.406 nan 8.230 nan 0.000 0.434 230 A N -0.871 121.969 122.820 0.033 0.000 2.125 230 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 230 A C 2.019 179.612 177.584 0.014 0.000 1.156 230 A CA 1.141 53.189 52.037 0.019 0.000 0.671 230 A CB -0.296 18.709 19.000 0.008 0.000 0.794 230 A HN 0.584 nan 8.150 nan 0.000 0.459 231 Q N -2.207 117.610 119.800 0.027 0.000 2.282 231 Q HA 0.122 4.462 4.340 -0.001 0.000 0.206 231 Q C -0.497 175.508 176.000 0.008 0.000 0.878 231 Q CA -0.362 55.442 55.803 0.002 0.000 0.944 231 Q CB 0.250 28.989 28.738 0.001 0.000 1.100 231 Q HN 0.698 nan 8.270 nan 0.000 0.509 232 Y N 2.041 122.311 120.300 -0.049 0.000 2.359 232 Y HA 0.203 4.753 4.550 -0.001 0.000 0.334 232 Y C -0.870 175.004 175.900 -0.044 0.000 1.058 232 Y CA -1.050 57.022 58.100 -0.048 0.000 1.244 232 Y CB 0.691 39.129 38.460 -0.037 0.000 1.187 232 Y HN -0.133 nan 8.280 nan 0.000 0.510 233 D N 8.898 128.783 120.400 -0.857 0.000 2.471 233 D HA 0.329 4.968 4.640 -0.001 0.000 0.245 233 D C -2.093 173.684 176.300 -0.871 0.000 1.116 233 D CA -2.598 51.011 54.000 -0.652 0.000 0.853 233 D CB 1.917 42.569 40.800 -0.246 0.000 1.123 233 D HN 0.351 nan 8.370 nan 0.000 0.540 234 P HA -0.059 nan 4.420 nan 0.000 0.225 234 P C 0.487 177.294 177.300 -0.821 0.000 1.148 234 P CA 0.697 63.341 63.100 -0.761 0.000 0.779 234 P CB 0.057 31.249 31.700 -0.846 0.000 0.780 235 W N -1.264 119.740 121.300 -0.494 0.000 3.316 235 W HA 0.150 4.809 4.660 -0.001 0.000 0.327 235 W C 1.168 177.577 176.519 -0.183 0.000 1.232 235 W CA -0.352 56.586 57.345 -0.679 0.000 1.805 235 W CB -0.611 28.533 29.460 -0.526 0.000 1.090 235 W HN 0.022 nan 8.180 nan 0.000 0.654 236 H N 0.851 119.916 119.070 -0.010 0.000 2.723 236 H HA 0.327 4.882 4.556 -0.001 0.000 0.294 236 H C 1.078 176.535 175.328 0.215 0.000 1.079 236 H CA 0.392 56.485 56.048 0.076 0.000 1.411 236 H CB 1.639 31.361 29.762 -0.066 0.000 1.439 236 H HN 0.121 nan 8.280 nan 0.000 0.474 237 A N 4.842 127.686 122.820 0.040 0.000 1.968 237 A HA 0.092 4.412 4.320 -0.001 0.000 0.217 237 A C 1.425 178.625 177.584 -0.640 0.000 1.169 237 A CA 0.626 52.645 52.037 -0.030 0.000 0.638 237 A CB -0.381 18.609 19.000 -0.017 0.000 0.812 237 A HN 0.808 nan 8.150 nan 0.000 0.446 238 A N 0.012 122.133 122.820 -1.164 0.000 2.592 238 A HA 0.185 4.504 4.320 -0.001 0.000 0.250 238 A C 0.906 177.642 177.584 -1.413 0.000 1.017 238 A CA 1.061 51.873 52.037 -2.042 0.000 0.794 238 A CB -0.607 17.712 19.000 -1.136 0.000 0.917 238 A HN 0.843 nan 8.150 nan 0.000 0.515 239 H N 1.026 119.109 119.070 -1.644 0.000 4.158 239 H HA -0.197 4.358 4.556 -0.001 0.000 0.150 239 H C 1.494 176.489 175.328 -0.555 0.000 0.823 239 H CA 1.891 57.496 56.048 -0.738 0.000 1.252 239 H CB -1.047 28.442 29.762 -0.456 0.000 0.889 239 H HN 0.886 nan 8.280 nan 0.000 0.437 240 R N 0.605 120.767 120.500 -0.563 0.000 2.148 240 R HA -0.069 4.270 4.340 -0.001 0.000 0.227 240 R C 2.207 178.025 176.300 -0.804 0.000 1.103 240 R CA 1.872 57.594 56.100 -0.630 0.000 0.983 240 R CB -0.177 29.762 30.300 -0.602 0.000 0.874 240 R HN 0.557 nan 8.270 nan 0.000 0.451 241 T N -1.833 112.280 114.554 -0.736 0.000 3.113 241 T HA -0.024 4.326 4.350 -0.001 0.000 0.263 241 T C 1.206 175.787 174.700 -0.198 0.000 1.143 241 T CA 0.778 62.581 62.100 -0.496 0.000 1.090 241 T CB 0.051 68.818 68.868 -0.169 0.000 0.922 241 T HN 0.326 nan 8.240 nan 0.000 0.521 242 E N 0.585 120.680 120.200 -0.174 0.000 2.474 242 E HA 0.212 4.561 4.350 -0.001 0.000 0.195 242 E C -0.165 176.349 176.600 -0.143 0.000 1.039 242 E CA -0.278 56.076 56.400 -0.076 0.000 0.881 242 E CB 0.548 30.262 29.700 0.024 0.000 0.970 242 E HN 0.322 nan 8.360 nan 0.000 0.486 243 V N 2.799 122.554 119.914 -0.265 0.000 2.572 243 V HA 0.010 4.129 4.120 -0.001 0.000 0.291 243 V C 0.252 176.250 176.094 -0.161 0.000 1.039 243 V CA 0.402 62.511 62.300 -0.317 0.000 1.055 243 V CB 0.912 32.392 31.823 -0.572 0.000 0.969 243 V HN 0.114 nan 8.190 nan 0.000 0.482 244 E N 4.015 124.147 120.200 -0.112 0.000 2.220 244 E HA 0.326 4.675 4.350 -0.001 0.000 0.256 244 E C -0.430 176.142 176.600 -0.047 0.000 0.881 244 E CA -0.462 55.913 56.400 -0.042 0.000 0.766 244 E CB 1.696 31.403 29.700 0.011 0.000 1.187 244 E HN 0.693 nan 8.360 nan 0.000 0.419 245 E N 1.799 121.976 120.200 -0.039 0.000 2.413 245 E HA -0.001 4.349 4.350 -0.001 0.000 0.263 245 E C -0.356 176.277 176.600 0.055 0.000 1.015 245 E CA 0.162 56.535 56.400 -0.046 0.000 0.916 245 E CB 0.471 30.167 29.700 -0.006 0.000 0.947 245 E HN 0.274 nan 8.360 nan 0.000 0.440 246 Y N 0.827 121.169 120.300 0.070 0.000 2.457 246 Y HA 0.008 4.558 4.550 -0.001 0.000 0.341 246 Y C 0.950 176.872 175.900 0.037 0.000 1.240 246 Y CA -0.205 57.927 58.100 0.054 0.000 1.437 246 Y CB 0.477 38.973 38.460 0.059 0.000 1.328 246 Y HN 0.264 nan 8.280 nan 0.000 0.588 247 T N 3.476 118.152 114.554 0.204 0.000 2.781 247 T HA 0.455 4.805 4.350 -0.001 0.000 0.305 247 T C -0.638 174.107 174.700 0.075 0.000 1.001 247 T CA -0.496 61.669 62.100 0.109 0.000 0.950 247 T CB -0.244 68.671 68.868 0.078 0.000 0.955 247 T HN 0.286 nan 8.240 nan 0.000 0.471 248 V N 6.292 126.247 119.914 0.068 0.000 2.409 248 V HA 0.331 4.451 4.120 -0.001 0.000 0.291 248 V C 0.363 176.473 176.094 0.027 0.000 1.020 248 V CA -1.050 61.272 62.300 0.037 0.000 0.848 248 V CB 1.029 32.876 31.823 0.039 0.000 0.990 248 V HN 1.114 nan 8.190 nan 0.000 0.430 254 C N 3.548 122.799 119.300 -0.082 0.000 2.322 254 C HA 0.666 5.125 4.460 -0.001 0.000 0.324 254 C C 0.730 175.613 174.990 -0.178 0.000 1.284 254 C CA -0.350 58.581 59.018 -0.146 0.000 1.606 254 C CB 0.751 28.389 27.740 -0.171 0.000 2.251 254 C HN 0.884 nan 8.230 nan 0.000 0.502 255 S N 2.696 118.225 115.700 -0.285 0.000 2.575 255 S HA 0.122 4.592 4.470 -0.001 0.000 0.215 255 S C 0.317 174.730 174.600 -0.313 0.000 0.966 255 S CA 0.101 58.136 58.200 -0.274 0.000 0.911 255 S CB -0.252 62.782 63.200 -0.276 0.000 0.780 255 S HN 0.910 nan 8.310 nan 0.000 0.514 256 V N -1.005 118.667 119.914 -0.403 0.000 2.960 256 V HA 0.740 4.860 4.120 -0.001 0.000 0.315 256 V C -0.727 175.231 176.094 -0.228 0.000 1.087 256 V CA -1.453 60.661 62.300 -0.309 0.000 0.982 256 V CB 1.239 32.805 31.823 -0.428 0.000 1.039 256 V HN 0.147 nan 8.190 nan 0.000 0.437 257 F N 3.497 123.288 119.950 -0.266 0.000 2.424 257 F HA 0.697 5.223 4.527 -0.001 0.000 0.356 257 F C 0.293 175.891 175.800 -0.337 0.000 1.110 257 F CA -0.724 57.111 58.000 -0.274 0.000 1.161 257 F CB 0.616 39.471 39.000 -0.243 0.000 1.115 257 F HN 0.600 nan 8.300 nan 0.000 0.507 258 R N 4.038 123.929 120.500 -1.015 0.000 2.445 258 R HA 0.281 4.620 4.340 -0.001 0.000 0.308 258 R C 1.034 176.577 176.300 -1.262 0.000 0.961 258 R CA 0.068 55.581 56.100 -0.979 0.000 0.862 258 R CB 1.586 31.553 30.300 -0.555 0.000 1.144 258 R HN 0.808 nan 8.270 nan 0.000 0.447 259 T N -0.437 113.416 114.554 -1.168 0.000 2.894 259 T HA 0.101 4.451 4.350 -0.001 0.000 0.258 259 T C 0.374 174.776 174.700 -0.496 0.000 1.043 259 T CA 0.812 62.325 62.100 -0.978 0.000 1.141 259 T CB 0.085 68.421 68.868 -0.887 0.000 0.873 259 T HN 0.287 nan 8.240 nan 0.000 0.449 260 F N 1.001 120.792 119.950 -0.265 0.000 2.578 260 F HA 0.519 5.046 4.527 -0.001 0.000 0.311 260 F C 0.036 175.676 175.800 -0.266 0.000 1.094 260 F CA -1.175 56.757 58.000 -0.113 0.000 0.923 260 F CB 2.295 41.397 39.000 0.170 0.000 1.230 260 F HN -0.102 nan 8.300 nan 0.000 0.450 261 Q N 0.953 120.486 119.800 -0.445 0.000 2.221 261 Q HA 0.808 5.148 4.340 -0.001 0.000 0.242 261 Q C -0.200 175.221 176.000 -0.966 0.000 0.940 261 Q CA -0.861 54.465 55.803 -0.796 0.000 0.896 261 Q CB 2.259 30.209 28.738 -1.313 0.000 1.226 261 Q HN 0.916 nan 8.270 nan 0.000 0.463 262 G N 0.658 108.977 108.800 -0.801 0.000 2.489 262 G HA2 0.489 4.448 3.960 -0.001 0.000 0.291 262 G HA3 0.489 4.448 3.960 -0.001 0.000 0.291 262 G C -2.234 172.407 174.900 -0.433 0.000 1.487 262 G CA -0.802 43.730 45.100 -0.948 0.000 0.795 262 G HN 0.624 nan 8.290 nan 0.000 0.513 263 W N -0.394 120.635 121.300 -0.452 0.000 3.137 263 W HA 0.706 5.365 4.660 -0.001 0.000 0.324 263 W C -1.381 174.995 176.519 -0.238 0.000 1.253 263 W CA -1.223 55.969 57.345 -0.255 0.000 1.183 263 W CB 1.226 30.599 29.460 -0.144 0.000 1.424 263 W HN 0.610 nan 8.180 nan 0.000 0.566 264 T N 2.018 116.760 114.554 0.312 0.000 2.794 264 T HA 0.515 4.864 4.350 -0.001 0.000 0.280 264 T C 0.151 175.054 174.700 0.339 0.000 0.987 264 T CA -0.266 62.025 62.100 0.319 0.000 0.993 264 T CB 1.411 70.429 68.868 0.250 0.000 0.939 264 T HN 0.566 nan 8.240 nan 0.000 0.449 265 A N 3.327 126.381 122.820 0.391 0.000 2.454 265 A HA 0.429 4.748 4.320 -0.001 0.000 0.260 265 A C 0.955 178.605 177.584 0.110 0.000 1.106 265 A CA -0.279 51.903 52.037 0.243 0.000 0.780 265 A CB -0.167 19.010 19.000 0.294 0.000 1.044 265 A HN 0.989 nan 8.150 nan 0.000 0.498 266 L N 2.132 123.358 121.223 0.005 0.000 2.616 266 L HA 0.140 4.480 4.340 -0.001 0.000 0.229 266 L C 0.842 177.682 176.870 -0.051 0.000 1.110 266 L CA 0.607 55.434 54.840 -0.022 0.000 0.884 266 L CB -0.058 41.956 42.059 -0.074 0.000 1.115 266 L HN 0.851 nan 8.230 nan 0.000 0.481 267 S N -2.943 112.744 115.700 -0.021 0.000 2.607 267 S HA 0.427 4.896 4.470 -0.001 0.000 0.273 267 S C -1.057 173.569 174.600 0.043 0.000 1.148 267 S CA -1.067 57.126 58.200 -0.011 0.000 0.833 267 S CB 2.155 65.373 63.200 0.029 0.000 1.130 267 S HN -0.134 nan 8.310 nan 0.000 0.470 268 D N 1.663 122.095 120.400 0.053 0.000 2.382 268 D HA 0.345 4.984 4.640 -0.001 0.000 0.240 268 D C -0.221 176.129 176.300 0.084 0.000 1.146 268 D CA 0.410 54.450 54.000 0.067 0.000 0.897 268 D CB 0.329 41.165 40.800 0.060 0.000 1.197 268 D HN 0.494 nan 8.370 nan 0.000 0.432 269 M N 2.093 121.740 119.600 0.079 0.000 2.134 269 M HA 0.322 4.801 4.480 -0.001 0.000 0.310 269 M C -0.710 175.622 176.300 0.055 0.000 0.966 269 M CA -0.546 54.800 55.300 0.075 0.000 0.922 269 M CB 1.037 33.700 32.600 0.106 0.000 1.537 269 M HN 0.090 nan 8.290 nan 0.000 0.424 270 L N 4.306 125.558 121.223 0.049 0.000 2.312 270 L HA 0.468 4.807 4.340 -0.001 0.000 0.281 270 L C -2.043 174.844 176.870 0.028 0.000 1.070 270 L CA -1.893 52.968 54.840 0.035 0.000 0.805 270 L CB 0.633 42.713 42.059 0.035 0.000 1.174 270 L HN 0.283 nan 8.230 nan 0.000 0.434 271 P HA -0.026 nan 4.420 nan 0.000 0.263 271 P C 0.815 178.134 177.300 0.032 0.000 1.175 271 P CA 0.913 64.022 63.100 0.016 0.000 0.761 271 P CB 0.600 32.307 31.700 0.011 0.000 0.794 272 G N 2.106 110.936 108.800 0.049 0.000 2.184 272 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.264 272 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.264 272 G C 0.370 175.308 174.900 0.063 0.000 0.975 272 G CA -0.191 44.950 45.100 0.068 0.000 0.642 272 G HN 0.542 nan 8.290 nan 0.000 0.536 273 Q N 0.259 120.091 119.800 0.054 0.000 2.894 273 Q HA 0.460 4.799 4.340 -0.001 0.000 0.358 273 Q C 1.219 177.249 176.000 0.050 0.000 1.155 273 Q CA 0.171 55.998 55.803 0.039 0.000 0.960 273 Q CB -0.034 28.717 28.738 0.023 0.000 1.428 273 Q HN 1.611 nan 8.270 nan 0.000 0.437 274 G N 1.111 109.956 108.800 0.075 0.000 2.353 274 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.294 274 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.294 274 G C -0.254 174.720 174.900 0.123 0.000 1.077 274 G CA -0.066 45.086 45.100 0.087 0.000 1.098 274 G HN 0.380 nan 8.290 nan 0.000 0.511 275 L N -0.440 120.896 121.223 0.188 0.000 2.358 275 L HA 0.700 5.039 4.340 -0.001 0.000 0.268 275 L C 1.013 178.082 176.870 0.332 0.000 1.032 275 L CA -1.508 53.455 54.840 0.204 0.000 0.805 275 L CB 1.090 43.217 42.059 0.113 0.000 1.253 275 L HN 0.253 nan 8.230 nan 0.000 0.452 276 L N 1.006 122.411 121.223 0.302 0.000 2.490 276 L HA 0.147 4.486 4.340 -0.001 0.000 0.274 276 L C -0.721 176.318 176.870 0.281 0.000 1.201 276 L CA 0.793 55.825 54.840 0.320 0.000 0.869 276 L CB -0.078 42.186 42.059 0.343 0.000 1.123 276 L HN 0.383 nan 8.230 nan 0.000 0.484 277 H N 3.025 122.180 119.070 0.141 0.000 2.690 277 H HA 0.773 5.328 4.556 -0.001 0.000 0.368 277 H C -0.785 174.609 175.328 0.111 0.000 1.150 277 H CA -0.147 56.007 56.048 0.177 0.000 1.174 277 H CB 1.932 31.763 29.762 0.115 0.000 1.684 277 H HN 0.579 nan 8.280 nan 0.000 0.538 278 V N -0.579 119.463 119.914 0.214 0.000 3.130 278 V HA 0.613 4.732 4.120 -0.001 0.000 0.310 278 V C -0.939 175.125 176.094 -0.051 0.000 1.158 278 V CA -0.991 61.294 62.300 -0.025 0.000 1.029 278 V CB 2.073 33.736 31.823 -0.267 0.000 1.057 278 V HN 0.468 nan 8.190 nan 0.000 0.436 279 V N 3.740 123.602 119.914 -0.087 0.000 2.320 279 V HA 0.379 4.498 4.120 -0.001 0.000 0.265 279 V C -1.824 174.184 176.094 -0.143 0.000 1.048 279 V CA -1.242 61.004 62.300 -0.091 0.000 0.865 279 V CB 1.373 33.143 31.823 -0.089 0.000 1.043 279 V HN 0.919 nan 8.190 nan 0.000 0.474 280 P HA 0.207 nan 4.420 nan 0.000 0.232 280 P C -0.359 176.864 177.300 -0.128 0.000 1.738 280 P CA 0.392 63.362 63.100 -0.216 0.000 0.948 280 P CB -0.299 31.228 31.700 -0.289 0.000 1.943 281 I N 2.662 123.162 120.570 -0.117 0.000 2.603 281 I HA 0.190 4.360 4.170 -0.001 0.000 0.276 281 I C -1.534 174.501 176.117 -0.136 0.000 1.133 281 I CA -2.186 59.053 61.300 -0.102 0.000 1.070 281 I CB 2.572 40.512 38.000 -0.100 0.000 1.215 281 I HN -0.174 nan 8.210 nan 0.000 0.487 282 P HA -0.205 nan 4.420 nan 0.000 0.219 282 P C 0.905 178.031 177.300 -0.289 0.000 1.146 282 P CA 1.467 64.344 63.100 -0.371 0.000 0.808 282 P CB 0.199 31.490 31.700 -0.682 0.000 0.779 283 E N 0.112 120.217 120.200 -0.158 0.000 2.511 283 E HA 0.021 4.371 4.350 -0.001 0.000 0.196 283 E C 1.726 178.295 176.600 -0.051 0.000 1.066 283 E CA 0.541 56.925 56.400 -0.028 0.000 0.871 283 E CB -0.803 28.905 29.700 0.012 0.000 0.863 283 E HN 0.134 nan 8.360 nan 0.000 0.520 284 A N 1.512 124.272 122.820 -0.100 0.000 2.024 284 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 284 A C 2.172 179.691 177.584 -0.108 0.000 1.164 284 A CA 1.655 53.624 52.037 -0.114 0.000 0.643 284 A CB -0.554 18.357 19.000 -0.149 0.000 0.806 284 A HN 0.303 nan 8.150 nan 0.000 0.451 285 M N 0.297 119.812 119.600 -0.141 0.000 2.267 285 M HA -0.062 4.417 4.480 -0.001 0.000 0.263 285 M C 2.011 178.097 176.300 -0.357 0.000 1.063 285 M CA 1.542 56.698 55.300 -0.240 0.000 1.090 285 M CB -0.624 31.828 32.600 -0.247 0.000 1.392 285 M HN 0.378 nan 8.290 nan 0.000 0.422 286 A N -0.974 121.654 122.820 -0.319 0.000 1.933 286 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 286 A C 2.203 179.688 177.584 -0.165 0.000 1.175 286 A CA 1.805 53.604 52.037 -0.397 0.000 0.628 286 A CB -1.380 17.437 19.000 -0.305 0.000 0.814 286 A HN 0.740 nan 8.150 nan 0.000 0.444 287 Y N 0.292 120.490 120.300 -0.171 0.000 2.200 287 Y HA -0.166 4.383 4.550 -0.001 0.000 0.290 287 Y C 2.288 178.289 175.900 0.169 0.000 1.137 287 Y CA 1.780 59.867 58.100 -0.020 0.000 1.163 287 Y CB -0.072 38.346 38.460 -0.070 0.000 0.988 287 Y HN 0.086 nan 8.280 nan 0.000 0.518 288 V N 0.816 120.924 119.914 0.324 0.000 2.343 288 V HA -0.337 3.782 4.120 -0.001 0.000 0.247 288 V C 2.310 178.540 176.094 0.227 0.000 1.051 288 V CA 2.025 64.480 62.300 0.258 0.000 1.036 288 V CB -0.692 31.110 31.823 -0.036 0.000 0.654 288 V HN 0.462 nan 8.190 nan 0.000 0.451 289 L N -0.894 120.282 121.223 -0.080 0.000 2.141 289 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 289 L C 2.235 179.283 176.870 0.297 0.000 1.094 289 L CA 1.330 56.099 54.840 -0.118 0.000 0.763 289 L CB -0.375 41.209 42.059 -0.791 0.000 0.908 289 L HN 0.304 nan 8.230 nan 0.000 0.437 290 L N -1.069 120.249 121.223 0.158 0.000 2.375 290 L HA -0.030 4.309 4.340 -0.001 0.000 0.215 290 L C 2.598 179.517 176.870 0.082 0.000 1.108 290 L CA 0.015 54.972 54.840 0.196 0.000 0.830 290 L CB -0.280 41.909 42.059 0.217 0.000 0.959 290 L HN 0.160 nan 8.230 nan 0.000 0.457 291 R N 1.603 122.159 120.500 0.095 0.000 2.103 291 R HA -0.158 4.181 4.340 -0.001 0.000 0.242 291 R C -0.792 175.379 176.300 -0.216 0.000 1.142 291 R CA 1.868 57.872 56.100 -0.160 0.000 0.960 291 R CB -1.481 28.872 30.300 0.088 0.000 0.858 291 R HN 0.173 nan 8.270 nan 0.000 0.439 292 P HA -0.023 nan 4.420 nan 0.000 0.234 292 P C 0.317 177.474 177.300 -0.238 0.000 1.167 292 P CA 0.958 63.876 63.100 -0.302 0.000 0.763 292 P CB 0.068 31.526 31.700 -0.402 0.000 0.835 293 L N -2.138 118.994 121.223 -0.151 0.000 2.592 293 L HA 0.115 4.454 4.340 -0.001 0.000 0.227 293 L C 1.112 177.893 176.870 -0.150 0.000 1.127 293 L CA -0.092 54.674 54.840 -0.123 0.000 0.884 293 L CB -0.365 41.675 42.059 -0.032 0.000 1.065 293 L HN -0.017 nan 8.230 nan 0.000 0.457 294 L N 0.427 121.520 121.223 -0.217 0.000 2.475 294 L HA 0.022 4.362 4.340 -0.001 0.000 0.250 294 L C 1.262 178.053 176.870 -0.132 0.000 1.224 294 L CA -0.218 54.493 54.840 -0.215 0.000 0.821 294 L CB 0.286 42.142 42.059 -0.339 0.000 1.141 294 L HN 0.159 nan 8.230 nan 0.000 0.494 295 D N -1.305 119.035 120.400 -0.099 0.000 2.363 295 D HA -0.139 4.500 4.640 -0.001 0.000 0.226 295 D C 0.570 176.849 176.300 -0.035 0.000 1.020 295 D CA 0.219 54.183 54.000 -0.061 0.000 0.892 295 D CB -0.259 40.513 40.800 -0.047 0.000 0.900 295 D HN 0.559 nan 8.370 nan 0.000 0.531 296 D N 0.151 120.542 120.400 -0.016 0.000 2.501 296 D HA 0.050 4.689 4.640 -0.001 0.000 0.226 296 D C -0.298 176.075 176.300 0.122 0.000 1.198 296 D CA -0.507 53.518 54.000 0.041 0.000 0.830 296 D CB 0.057 40.883 40.800 0.045 0.000 1.014 296 D HN 0.017 nan 8.370 nan 0.000 0.496 297 V N 1.309 121.241 119.914 0.030 0.000 2.459 297 V HA 0.372 4.491 4.120 -0.001 0.000 0.295 297 V C -2.136 173.924 176.094 -0.056 0.000 1.029 297 V CA -1.635 60.649 62.300 -0.027 0.000 0.874 297 V CB 1.669 33.360 31.823 -0.220 0.000 0.985 297 V HN -0.056 nan 8.190 nan 0.000 0.438 298 P HA 0.137 nan 4.420 nan 0.000 0.266 298 P C 0.972 178.212 177.300 -0.100 0.000 1.195 298 P CA -0.013 63.058 63.100 -0.047 0.000 0.768 298 P CB 0.720 32.408 31.700 -0.020 0.000 0.838 299 E N 1.179 121.325 120.200 -0.089 0.000 2.086 299 E HA -0.266 4.084 4.350 -0.001 0.000 0.205 299 E C 0.796 177.312 176.600 -0.140 0.000 1.027 299 E CA 1.786 58.121 56.400 -0.109 0.000 0.830 299 E CB -0.131 29.515 29.700 -0.089 0.000 0.751 299 E HN 0.537 nan 8.360 nan 0.000 0.456 300 D N 0.171 120.493 120.400 -0.130 0.000 2.317 300 D HA 0.008 4.647 4.640 -0.001 0.000 0.211 300 D C 0.214 176.412 176.300 -0.169 0.000 0.966 300 D CA 0.550 54.457 54.000 -0.154 0.000 0.876 300 D CB -0.038 40.680 40.800 -0.136 0.000 0.927 300 D HN 0.248 nan 8.370 nan 0.000 0.519 301 E N 0.210 120.306 120.200 -0.175 0.000 2.318 301 E HA 0.386 4.736 4.350 -0.001 0.000 0.265 301 E C 0.181 176.574 176.600 -0.345 0.000 1.069 301 E CA -0.376 55.895 56.400 -0.215 0.000 0.893 301 E CB 1.774 31.364 29.700 -0.182 0.000 1.076 301 E HN -0.012 nan 8.360 nan 0.000 0.414 302 L N 1.903 122.892 121.223 -0.390 0.000 2.913 302 L HA 0.194 4.533 4.340 -0.001 0.000 0.283 302 L C -0.654 175.895 176.870 -0.535 0.000 1.336 302 L CA -0.533 53.975 54.840 -0.553 0.000 0.815 302 L CB 0.348 42.016 42.059 -0.651 0.000 1.188 302 L HN 0.764 nan 8.230 nan 0.000 0.551 303 C N 0.741 119.579 119.300 -0.770 0.000 4.028 303 C HA -0.176 4.283 4.460 -0.001 0.000 0.300 303 C C 1.669 176.410 174.990 -0.415 0.000 1.399 303 C CA 0.650 58.966 59.018 -1.171 0.000 2.051 303 C CB -2.480 24.546 27.740 -1.189 0.000 1.318 303 C HN 1.099 nan 8.230 nan 0.000 0.696 304 G N -2.435 106.265 108.800 -0.167 0.000 2.232 304 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.226 304 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.226 304 G C 0.077 174.991 174.900 0.023 0.000 0.996 304 G CA 0.022 45.141 45.100 0.032 0.000 0.626 304 G HN 1.249 nan 8.290 nan 0.000 0.509 305 V N 1.589 121.487 119.914 -0.027 0.000 2.673 305 V HA 0.497 4.616 4.120 -0.001 0.000 0.303 305 V C 0.774 176.873 176.094 0.010 0.000 1.046 305 V CA 1.025 63.333 62.300 0.014 0.000 1.126 305 V CB 1.165 32.977 31.823 -0.018 0.000 0.934 305 V HN 1.618 nan 8.190 nan 0.000 0.487 306 A N 6.507 129.348 122.820 0.035 0.000 2.574 306 A HA 0.805 5.124 4.320 -0.001 0.000 0.297 306 A C -3.031 174.552 177.584 -0.003 0.000 1.062 306 A CA -1.582 50.461 52.037 0.009 0.000 0.686 306 A CB 1.742 20.752 19.000 0.016 0.000 1.285 306 A HN 0.637 nan 8.150 nan 0.000 0.403 307 P HA 0.375 nan 4.420 nan 0.000 0.268 307 P C 1.037 178.332 177.300 -0.007 0.000 1.205 307 P CA 1.947 65.017 63.100 -0.049 0.000 0.771 307 P CB 0.751 32.332 31.700 -0.198 0.000 0.858 308 G N 1.430 110.254 108.800 0.041 0.000 2.159 308 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.256 308 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.256 308 G C 0.124 175.045 174.900 0.035 0.000 0.977 308 G CA -0.274 44.848 45.100 0.036 0.000 0.652 308 G HN 0.596 nan 8.290 nan 0.000 0.531 309 R N -0.666 119.861 120.500 0.045 0.000 2.771 309 R HA 0.612 4.951 4.340 -0.001 0.000 0.274 309 R C 0.561 176.897 176.300 0.060 0.000 0.987 309 R CA -0.417 55.706 56.100 0.039 0.000 0.908 309 R CB 2.326 32.645 30.300 0.032 0.000 1.213 309 R HN 0.588 nan 8.270 nan 0.000 0.468 310 V N 0.091 120.031 119.914 0.045 0.000 3.096 310 V HA 0.211 4.330 4.120 -0.001 0.000 0.306 310 V C 0.472 176.634 176.094 0.114 0.000 1.088 310 V CA -0.617 61.735 62.300 0.085 0.000 1.129 310 V CB 0.455 32.306 31.823 0.047 0.000 1.014 310 V HN 0.687 nan 8.190 nan 0.000 0.486 311 L N 5.882 127.198 121.223 0.155 0.000 2.433 311 L HA 0.405 4.744 4.340 -0.001 0.000 0.275 311 L C -2.000 174.966 176.870 0.159 0.000 1.128 311 L CA -1.314 53.623 54.840 0.162 0.000 0.875 311 L CB 1.083 43.234 42.059 0.153 0.000 1.171 311 L HN 0.683 nan 8.230 nan 0.000 0.463 312 P HA 0.206 nan 4.420 nan 0.000 0.288 312 P C -1.297 176.111 177.300 0.180 0.000 1.267 312 P CA -0.396 62.803 63.100 0.165 0.000 0.815 312 P CB 2.182 33.978 31.700 0.160 0.000 0.989 313 V N 2.700 122.698 119.914 0.141 0.000 2.448 313 V HA 0.501 4.620 4.120 -0.001 0.000 0.295 313 V C 0.450 176.712 176.094 0.280 0.000 1.025 313 V CA -0.129 62.241 62.300 0.118 0.000 0.859 313 V CB 1.530 33.298 31.823 -0.091 0.000 0.988 313 V HN 0.857 nan 8.190 nan 0.000 0.431 314 S N 2.123 118.134 115.700 0.519 0.000 2.661 314 S HA 0.490 4.960 4.470 -0.001 0.000 0.285 314 S C 0.585 175.322 174.600 0.229 0.000 1.138 314 S CA -0.439 57.938 58.200 0.295 0.000 0.855 314 S CB 2.103 65.460 63.200 0.261 0.000 1.136 314 S HN 0.730 nan 8.310 nan 0.000 0.484 315 E N 0.262 120.523 120.200 0.102 0.000 2.152 315 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 315 E C 1.888 178.474 176.600 -0.024 0.000 0.983 315 E CA 1.049 57.478 56.400 0.050 0.000 0.818 315 E CB -0.190 29.518 29.700 0.013 0.000 0.758 315 E HN 0.738 nan 8.360 nan 0.000 0.467 316 Q N -0.571 119.164 119.800 -0.109 0.000 2.077 316 Q HA -0.196 4.143 4.340 -0.001 0.000 0.206 316 Q C 1.252 176.943 176.000 -0.514 0.000 0.989 316 Q CA 2.227 57.808 55.803 -0.369 0.000 0.853 316 Q CB -0.128 28.305 28.738 -0.509 0.000 0.907 316 Q HN 0.454 nan 8.270 nan 0.000 0.418 317 W N -1.723 119.488 121.300 -0.149 0.000 2.842 317 W HA 0.141 4.800 4.660 -0.001 0.000 0.267 317 W C 0.198 176.459 176.519 -0.432 0.000 1.219 317 W CA -0.190 56.925 57.345 -0.383 0.000 1.458 317 W CB 0.656 29.735 29.460 -0.634 0.000 1.006 317 W HN 0.205 nan 8.180 nan 0.000 0.603 318 H N -0.722 118.586 119.070 0.398 0.000 2.535 318 H HA 0.164 4.720 4.556 -0.001 0.000 0.232 318 H C -1.848 173.570 175.328 0.151 0.000 1.405 318 H CA -1.662 54.611 56.048 0.375 0.000 1.224 318 H CB -0.036 29.885 29.762 0.265 0.000 1.763 318 H HN -0.191 nan 8.280 nan 0.000 0.529 319 P HA -0.233 nan 4.420 nan 0.000 0.216 319 P C 1.673 179.011 177.300 0.063 0.000 1.153 319 P CA 0.810 63.978 63.100 0.113 0.000 0.858 319 P CB 0.666 32.424 31.700 0.096 0.000 0.789 320 L N -0.674 120.583 121.223 0.057 0.000 2.131 320 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 320 L C 2.511 179.288 176.870 -0.154 0.000 1.092 320 L CA 1.626 56.437 54.840 -0.049 0.000 0.759 320 L CB -1.284 40.746 42.059 -0.048 0.000 0.903 320 L HN -0.157 nan 8.230 nan 0.000 0.435 321 L N -1.594 119.485 121.223 -0.240 0.000 2.095 321 L HA -0.121 4.218 4.340 -0.001 0.000 0.204 321 L C 2.439 179.260 176.870 -0.082 0.000 1.080 321 L CA 0.402 55.114 54.840 -0.214 0.000 0.759 321 L CB -0.635 41.254 42.059 -0.282 0.000 0.914 321 L HN 0.171 nan 8.230 nan 0.000 0.439 322 I N 0.675 121.234 120.570 -0.018 0.000 2.264 322 I HA -0.256 3.914 4.170 -0.001 0.000 0.248 322 I C 2.363 178.485 176.117 0.008 0.000 1.111 322 I CA 1.554 62.861 61.300 0.011 0.000 1.382 322 I CB -0.903 37.123 38.000 0.044 0.000 1.060 322 I HN 0.394 nan 8.210 nan 0.000 0.418 323 E N 0.697 120.898 120.200 0.001 0.000 2.265 323 E HA -0.136 4.214 4.350 -0.001 0.000 0.196 323 E C 1.917 178.523 176.600 0.009 0.000 0.996 323 E CA 1.094 57.499 56.400 0.008 0.000 0.832 323 E CB -0.046 29.656 29.700 0.004 0.000 0.756 323 E HN 0.475 nan 8.360 nan 0.000 0.491 324 A N 0.701 123.515 122.820 -0.010 0.000 2.275 324 A HA 0.131 4.450 4.320 -0.001 0.000 0.212 324 A C 0.821 178.416 177.584 0.018 0.000 1.201 324 A CA -0.241 51.791 52.037 -0.008 0.000 0.843 324 A CB -0.039 18.933 19.000 -0.046 0.000 0.873 324 A HN 0.074 nan 8.150 nan 0.000 0.492 325 L N 1.446 122.696 121.223 0.045 0.000 2.540 325 L HA 0.085 4.424 4.340 -0.001 0.000 0.276 325 L C -0.218 176.765 176.870 0.188 0.000 1.212 325 L CA 0.482 55.387 54.840 0.108 0.000 0.893 325 L CB 0.549 42.672 42.059 0.108 0.000 1.138 325 L HN 0.134 nan 8.230 nan 0.000 0.491 326 T N 2.179 116.859 114.554 0.210 0.000 2.879 326 T HA 0.168 4.517 4.350 -0.001 0.000 0.290 326 T C -0.231 174.567 174.700 0.163 0.000 0.993 326 T CA -0.493 61.728 62.100 0.201 0.000 0.975 326 T CB 1.723 70.685 68.868 0.158 0.000 0.981 326 T HN 0.590 nan 8.240 nan 0.000 0.439 327 S N 2.814 118.376 115.700 -0.230 0.000 2.579 327 S HA 0.411 4.880 4.470 -0.001 0.000 0.275 327 S C 0.716 175.179 174.600 -0.228 0.000 1.345 327 S CA -0.860 56.946 58.200 -0.657 0.000 1.031 327 S CB -0.245 62.531 63.200 -0.707 0.000 0.892 327 S HN 0.595 nan 8.310 nan 0.000 0.529 328 I N 2.319 122.628 120.570 -0.435 0.000 2.938 328 I HA 0.419 4.588 4.170 -0.001 0.000 0.285 328 I C -1.972 173.872 176.117 -0.456 0.000 1.182 328 I CA -1.830 58.934 61.300 -0.892 0.000 1.388 328 I CB -0.083 37.441 38.000 -0.793 0.000 1.390 328 I HN 0.447 nan 8.210 nan 0.000 0.600 329 P HA 0.132 nan 4.420 nan 0.000 0.293 329 P C -1.029 176.194 177.300 -0.128 0.000 1.304 329 P CA -0.709 62.286 63.100 -0.176 0.000 0.767 329 P CB 0.611 32.243 31.700 -0.114 0.000 1.247 330 K N 0.320 120.685 120.400 -0.058 0.000 2.489 330 K HA 0.170 4.489 4.320 -0.001 0.000 0.278 330 K C -0.582 176.008 176.600 -0.016 0.000 1.000 330 K CA 0.147 56.421 56.287 -0.022 0.000 1.012 330 K CB -0.243 32.256 32.500 -0.002 0.000 0.903 330 K HN 0.343 nan 8.250 nan 0.000 0.485 331 L N 2.986 124.218 121.223 0.015 0.000 2.341 331 L HA 0.418 4.757 4.340 -0.001 0.000 0.267 331 L C -0.667 176.238 176.870 0.058 0.000 1.009 331 L CA -1.133 53.731 54.840 0.039 0.000 0.819 331 L CB 2.146 44.253 42.059 0.081 0.000 1.323 331 L HN 0.654 nan 8.230 nan 0.000 0.425 332 E N 0.723 120.961 120.200 0.063 0.000 2.221 332 E HA 0.585 4.934 4.350 -0.001 0.000 0.268 332 E C -0.444 176.203 176.600 0.079 0.000 0.933 332 E CA -0.579 55.856 56.400 0.059 0.000 0.809 332 E CB 1.839 31.567 29.700 0.046 0.000 1.190 332 E HN 0.615 nan 8.360 nan 0.000 0.406 333 A N 1.344 124.199 122.820 0.059 0.000 2.540 333 A HA 0.418 4.738 4.320 -0.001 0.000 0.239 333 A C 1.270 178.907 177.584 0.088 0.000 1.061 333 A CA 1.013 53.087 52.037 0.063 0.000 0.758 333 A CB -0.632 18.373 19.000 0.009 0.000 0.991 333 A HN 0.880 nan 8.150 nan 0.000 0.502 334 G N 1.883 110.773 108.800 0.150 0.000 2.259 334 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.217 334 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.217 334 G C -0.024 175.037 174.900 0.267 0.000 1.001 334 G CA 0.254 45.485 45.100 0.220 0.000 0.627 334 G HN 0.794 nan 8.290 nan 0.000 0.501 335 D N 1.118 121.644 120.400 0.211 0.000 2.344 335 D HA 0.594 5.234 4.640 -0.001 0.000 0.244 335 D C 0.708 177.162 176.300 0.257 0.000 1.134 335 D CA 0.918 55.040 54.000 0.203 0.000 0.930 335 D CB 1.513 42.390 40.800 0.128 0.000 1.175 335 D HN 0.671 nan 8.370 nan 0.000 0.437 336 S N -1.155 114.697 115.700 0.253 0.000 2.570 336 S HA 0.733 5.202 4.470 -0.001 0.000 0.286 336 S C -0.539 174.038 174.600 -0.038 0.000 1.099 336 S CA -0.908 57.397 58.200 0.175 0.000 0.913 336 S CB 1.555 65.076 63.200 0.535 0.000 1.085 336 S HN 0.339 nan 8.310 nan 0.000 0.480 337 V N -1.228 118.366 119.914 -0.533 0.000 2.769 337 V HA 0.927 5.046 4.120 -0.001 0.000 0.312 337 V C -1.751 174.028 176.094 -0.524 0.000 1.061 337 V CA -0.853 61.208 62.300 -0.399 0.000 0.931 337 V CB 0.826 32.207 31.823 -0.738 0.000 1.010 337 V HN 1.006 nan 8.190 nan 0.000 0.433 338 W N 2.694 124.199 121.300 0.341 0.000 3.032 338 W HA 0.826 5.486 4.660 -0.001 0.000 0.335 338 W C -1.243 175.684 176.519 0.681 0.000 1.154 338 W CA -0.409 57.135 57.345 0.332 0.000 1.204 338 W CB 1.725 31.216 29.460 0.053 0.000 1.416 338 W HN 0.990 nan 8.180 nan 0.000 0.521 339 W N 1.526 123.189 121.300 0.605 0.000 3.256 339 W HA 0.479 5.138 4.660 -0.001 0.000 0.324 339 W C -0.564 176.170 176.519 0.358 0.000 1.196 339 W CA -1.224 56.380 57.345 0.432 0.000 1.206 339 W CB 0.493 30.024 29.460 0.119 0.000 1.385 339 W HN 0.486 nan 8.180 nan 0.000 0.522 340 H N 2.606 121.751 119.070 0.124 0.000 3.038 340 H HA -0.069 4.486 4.556 -0.001 0.000 0.338 340 H C 1.540 176.779 175.328 -0.150 0.000 1.041 340 H CA 1.644 57.452 56.048 -0.401 0.000 1.394 340 H CB 1.334 30.763 29.762 -0.555 0.000 1.357 340 H HN 0.995 nan 8.280 nan 0.000 0.600 341 C N 2.671 121.720 119.300 -0.419 0.000 2.409 341 C HA -0.072 4.387 4.460 -0.001 0.000 0.284 341 C C 1.455 176.531 174.990 0.144 0.000 1.354 341 C CA 0.674 59.608 59.018 -0.141 0.000 1.787 341 C CB -0.416 27.196 27.740 -0.213 0.000 1.900 341 C HN 0.694 nan 8.230 nan 0.000 0.520 342 D N 0.502 121.134 120.400 0.386 0.000 2.349 342 D HA 0.201 4.841 4.640 -0.001 0.000 0.214 342 D C 0.601 177.011 176.300 0.184 0.000 1.063 342 D CA 0.181 54.352 54.000 0.286 0.000 0.847 342 D CB 0.271 41.238 40.800 0.278 0.000 0.933 342 D HN 0.359 nan 8.370 nan 0.000 0.513 343 V N 2.036 122.102 119.914 0.253 0.000 2.572 343 V HA 0.042 4.161 4.120 -0.001 0.000 0.291 343 V C 0.855 177.074 176.094 0.210 0.000 1.039 343 V CA -0.353 62.052 62.300 0.176 0.000 1.055 343 V CB 0.917 32.870 31.823 0.217 0.000 0.969 343 V HN 0.004 nan 8.190 nan 0.000 0.482 344 I N 7.040 127.644 120.570 0.057 0.000 2.556 344 I HA 0.276 4.445 4.170 -0.001 0.000 0.284 344 I C 0.336 176.447 176.117 -0.011 0.000 1.114 344 I CA 0.208 61.502 61.300 -0.010 0.000 1.418 344 I CB 0.101 38.052 38.000 -0.082 0.000 1.394 344 I HN 0.779 nan 8.210 nan 0.000 0.552 345 H N 3.575 122.478 119.070 -0.279 0.000 2.980 345 H HA 0.794 5.350 4.556 -0.001 0.000 0.367 345 H C -1.127 174.098 175.328 -0.173 0.000 1.206 345 H CA -1.069 54.804 56.048 -0.291 0.000 1.126 345 H CB 1.631 31.064 29.762 -0.547 0.000 1.838 345 H HN 0.551 nan 8.280 nan 0.000 0.552 346 S N 0.207 115.918 115.700 0.018 0.000 2.705 346 S HA 0.666 5.135 4.470 -0.001 0.000 0.280 346 S C -1.425 173.272 174.600 0.161 0.000 1.174 346 S CA -0.759 57.485 58.200 0.074 0.000 0.823 346 S CB 1.775 64.988 63.200 0.020 0.000 1.162 346 S HN 0.493 nan 8.310 nan 0.000 0.487 347 V N 1.270 121.264 119.914 0.133 0.000 2.524 347 V HA 0.761 4.880 4.120 -0.001 0.000 0.297 347 V C 0.503 176.631 176.094 0.058 0.000 1.035 347 V CA -0.400 61.994 62.300 0.157 0.000 0.867 347 V CB 0.948 32.875 31.823 0.173 0.000 1.004 347 V HN 1.304 nan 8.190 nan 0.000 0.426 348 A N 8.106 130.939 122.820 0.022 0.000 2.425 348 A HA 0.638 4.957 4.320 -0.001 0.000 0.242 348 A C -2.009 175.585 177.584 0.016 0.000 1.077 348 A CA -0.790 51.213 52.037 -0.056 0.000 0.781 348 A CB -0.050 18.913 19.000 -0.062 0.000 1.020 348 A HN 0.617 nan 8.150 nan 0.000 0.494 349 P HA 0.395 nan 4.420 nan 0.000 0.274 349 P C -0.709 176.602 177.300 0.019 0.000 1.246 349 P CA -0.099 63.008 63.100 0.011 0.000 0.795 349 P CB 1.303 33.005 31.700 0.002 0.000 1.006 350 V N -0.042 119.880 119.914 0.014 0.000 3.048 350 V HA 0.398 4.517 4.120 -0.001 0.000 0.303 350 V C -1.430 174.663 176.094 -0.002 0.000 1.214 350 V CA -0.678 61.628 62.300 0.010 0.000 0.984 350 V CB 2.123 33.953 31.823 0.012 0.000 1.054 350 V HN 0.710 nan 8.190 nan 0.000 0.430 351 E N 4.518 124.714 120.200 -0.006 0.000 2.218 351 E HA 0.405 4.754 4.350 -0.001 0.000 0.263 351 E C -0.305 176.283 176.600 -0.020 0.000 0.879 351 E CA -0.520 55.873 56.400 -0.012 0.000 0.762 351 E CB 1.122 30.817 29.700 -0.008 0.000 1.166 351 E HN 0.887 nan 8.360 nan 0.000 0.415 352 N N 3.494 122.175 118.700 -0.032 0.000 2.708 352 N HA -0.241 4.498 4.740 -0.001 0.000 0.255 352 N C -0.770 174.709 175.510 -0.051 0.000 1.046 352 N CA 0.976 53.999 53.050 -0.044 0.000 0.715 352 N CB -0.790 37.676 38.487 -0.033 0.000 0.895 352 N HN 0.749 nan 8.380 nan 0.000 0.545 353 Q N 0.265 120.029 119.800 -0.061 0.000 2.310 353 Q HA -0.098 4.241 4.340 -0.001 0.000 0.315 353 Q C -0.558 175.393 176.000 -0.082 0.000 1.081 353 Q CA 0.515 56.280 55.803 -0.063 0.000 0.981 353 Q CB 0.462 29.153 28.738 -0.079 0.000 1.184 353 Q HN 0.309 nan 8.270 nan 0.000 0.389 354 Q N 2.146 121.915 119.800 -0.052 0.000 2.241 354 Q HA 0.483 4.822 4.340 -0.001 0.000 0.254 354 Q C 0.217 176.193 176.000 -0.040 0.000 0.917 354 Q CA 0.626 56.401 55.803 -0.047 0.000 0.919 354 Q CB 1.711 30.440 28.738 -0.016 0.000 1.237 354 Q HN 0.969 nan 8.270 nan 0.000 0.434 355 G N 1.479 110.251 108.800 -0.047 0.000 2.750 355 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.228 355 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.228 355 G C -1.274 173.590 174.900 -0.059 0.000 1.367 355 G CA -0.586 44.530 45.100 0.027 0.000 0.871 355 G HN 0.527 nan 8.290 nan 0.000 0.560 356 W N -0.653 120.638 121.300 -0.015 0.000 2.497 356 W HA 0.618 5.277 4.660 -0.001 0.000 0.359 356 W C 0.777 177.270 176.519 -0.043 0.000 1.131 356 W CA 0.336 57.665 57.345 -0.027 0.000 1.280 356 W CB 2.064 31.506 29.460 -0.030 0.000 1.319 356 W HN 1.175 nan 8.180 nan 0.000 0.626 357 G N 2.242 111.156 108.800 0.190 0.000 4.332 357 G HA2 0.194 4.153 3.960 -0.001 0.000 0.321 357 G HA3 0.194 4.153 3.960 -0.001 0.000 0.321 357 G C -1.177 173.714 174.900 -0.015 0.000 1.439 357 G CA -0.636 44.486 45.100 0.037 0.000 0.900 357 G HN 0.289 nan 8.290 nan 0.000 0.515 358 N N 0.994 119.686 118.700 -0.013 0.000 2.408 358 N HA 0.614 5.354 4.740 -0.001 0.000 0.280 358 N C -0.153 175.204 175.510 -0.255 0.000 1.002 358 N CA -0.421 52.575 53.050 -0.090 0.000 0.907 358 N CB 2.640 41.110 38.487 -0.029 0.000 1.161 358 N HN 0.420 nan 8.380 nan 0.000 0.488 359 V N -0.749 118.918 119.914 -0.412 0.000 3.007 359 V HA 0.643 4.762 4.120 -0.001 0.000 0.311 359 V C -0.546 175.213 176.094 -0.559 0.000 1.120 359 V CA -1.056 60.890 62.300 -0.590 0.000 0.980 359 V CB 2.519 33.590 31.823 -1.253 0.000 1.033 359 V HN 0.587 nan 8.190 nan 0.000 0.429 360 M N 3.618 122.979 119.600 -0.399 0.000 2.078 360 M HA 0.570 5.049 4.480 -0.001 0.000 0.320 360 M C -1.855 174.311 176.300 -0.223 0.000 0.969 360 M CA -0.602 54.508 55.300 -0.316 0.000 0.929 360 M CB 1.223 33.696 32.600 -0.211 0.000 1.504 360 M HN 0.835 nan 8.290 nan 0.000 0.419 361 Y N 5.909 126.228 120.300 0.031 0.000 2.537 361 Y HA 0.379 4.928 4.550 -0.001 0.000 0.339 361 Y C -0.155 175.784 175.900 0.064 0.000 1.066 361 Y CA 0.083 58.251 58.100 0.113 0.000 1.357 361 Y CB 0.122 38.672 38.460 0.150 0.000 1.175 361 Y HN 0.486 nan 8.280 nan 0.000 0.525 362 I N 6.666 127.337 120.570 0.168 0.000 2.563 362 I HA 0.272 4.441 4.170 -0.001 0.000 0.285 362 I C -2.584 173.601 176.117 0.113 0.000 1.123 362 I CA -1.938 59.447 61.300 0.141 0.000 1.059 362 I CB 2.439 40.512 38.000 0.122 0.000 1.229 362 I HN 0.362 nan 8.210 nan 0.000 0.442 363 P HA 0.517 nan 4.420 nan 0.000 0.304 363 P C -1.123 176.335 177.300 0.263 0.000 1.310 363 P CA -0.669 62.525 63.100 0.156 0.000 0.796 363 P CB 1.842 33.531 31.700 -0.018 0.000 1.297 364 A N -0.240 122.695 122.820 0.192 0.000 2.273 364 A HA 0.657 4.976 4.320 -0.001 0.000 0.315 364 A C -0.356 177.099 177.584 -0.215 0.000 1.256 364 A CA -0.649 51.405 52.037 0.029 0.000 0.851 364 A CB -0.071 18.948 19.000 0.032 0.000 1.172 364 A HN 0.534 nan 8.150 nan 0.000 0.508 365 A N 5.228 127.901 122.820 -0.245 0.000 2.702 365 A HA 0.705 5.025 4.320 -0.001 0.000 0.305 365 A C -2.844 174.551 177.584 -0.316 0.000 1.213 365 A CA -1.485 50.324 52.037 -0.380 0.000 0.745 365 A CB 0.619 19.453 19.000 -0.277 0.000 1.161 365 A HN 0.578 nan 8.150 nan 0.000 0.445 366 P HA 0.106 nan 4.420 nan 0.000 0.267 366 P C -0.029 177.170 177.300 -0.168 0.000 1.200 366 P CA -0.078 62.780 63.100 -0.402 0.000 0.772 366 P CB 0.518 31.656 31.700 -0.936 0.000 0.855 367 M N 4.156 123.714 119.600 -0.069 0.000 2.239 367 M HA 0.181 4.660 4.480 -0.001 0.000 0.348 367 M C -0.053 176.285 176.300 0.062 0.000 1.239 367 M CA 0.704 56.002 55.300 -0.003 0.000 1.114 367 M CB -0.968 31.628 32.600 -0.006 0.000 1.641 367 M HN 0.659 nan 8.290 nan 0.000 0.453 368 C N 1.515 120.852 119.300 0.061 0.000 3.295 368 C HA 0.415 4.874 4.460 -0.001 0.000 0.341 368 C C 1.298 176.317 174.990 0.048 0.000 1.418 368 C CA -0.839 58.227 59.018 0.079 0.000 1.240 368 C CB 1.011 28.829 27.740 0.129 0.000 1.562 368 C HN 1.005 nan 8.230 nan 0.000 0.457 369 E N 1.169 121.393 120.200 0.040 0.000 2.086 369 E HA -0.307 4.043 4.350 -0.001 0.000 0.200 369 E C 1.974 178.602 176.600 0.046 0.000 1.012 369 E CA 2.210 58.632 56.400 0.037 0.000 0.812 369 E CB -0.119 29.600 29.700 0.031 0.000 0.743 369 E HN 0.691 nan 8.360 nan 0.000 0.453 370 K N 0.009 120.438 120.400 0.048 0.000 2.032 370 K HA -0.183 4.136 4.320 -0.001 0.000 0.209 370 K C 1.799 178.443 176.600 0.074 0.000 1.048 370 K CA 1.742 58.062 56.287 0.055 0.000 0.927 370 K CB -0.044 32.478 32.500 0.038 0.000 0.712 370 K HN 0.096 nan 8.250 nan 0.000 0.441 371 N N 0.952 119.692 118.700 0.067 0.000 2.331 371 N HA -0.122 4.618 4.740 -0.001 0.000 0.180 371 N C 1.562 177.106 175.510 0.056 0.000 1.019 371 N CA 0.559 53.656 53.050 0.079 0.000 0.881 371 N CB -0.174 38.340 38.487 0.044 0.000 0.972 371 N HN 0.176 nan 8.380 nan 0.000 0.435 372 L N 0.874 122.094 121.223 -0.005 0.000 2.109 372 L HA 0.109 4.448 4.340 -0.001 0.000 0.207 372 L C 1.979 178.714 176.870 -0.224 0.000 1.086 372 L CA 1.155 55.911 54.840 -0.138 0.000 0.760 372 L CB -0.817 41.186 42.059 -0.094 0.000 0.910 372 L HN 0.083 nan 8.230 nan 0.000 0.437 373 A N -1.274 121.543 122.820 -0.004 0.000 1.902 373 A HA -0.283 4.036 4.320 -0.001 0.000 0.217 373 A C 2.282 179.941 177.584 0.125 0.000 1.181 373 A CA 1.862 53.961 52.037 0.102 0.000 0.623 373 A CB -1.133 17.947 19.000 0.135 0.000 0.818 373 A HN 0.596 nan 8.150 nan 0.000 0.443 374 Y N 0.440 120.752 120.300 0.019 0.000 2.263 374 Y HA 0.058 4.607 4.550 -0.001 0.000 0.292 374 Y C 2.632 178.560 175.900 0.047 0.000 1.130 374 Y CA 0.673 58.810 58.100 0.062 0.000 1.179 374 Y CB -0.509 38.010 38.460 0.098 0.000 0.998 374 Y HN 0.312 nan 8.280 nan 0.000 0.532 375 A N -0.129 122.683 122.820 -0.014 0.000 1.917 375 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 375 A C 1.991 179.503 177.584 -0.120 0.000 1.182 375 A CA 2.112 54.090 52.037 -0.098 0.000 0.633 375 A CB -1.045 17.872 19.000 -0.138 0.000 0.819 375 A HN 0.626 nan 8.150 nan 0.000 0.448 376 H N -0.096 118.962 119.070 -0.021 0.000 2.387 376 H HA -0.053 4.502 4.556 -0.001 0.000 0.299 376 H C 1.962 177.243 175.328 -0.079 0.000 1.090 376 H CA 1.669 57.697 56.048 -0.033 0.000 1.332 376 H CB -0.249 29.508 29.762 -0.008 0.000 1.386 376 H HN 0.565 nan 8.280 nan 0.000 0.516 377 K N 0.211 120.598 120.400 -0.021 0.000 2.097 377 K HA -0.046 4.274 4.320 -0.001 0.000 0.205 377 K C 2.287 178.773 176.600 -0.191 0.000 1.050 377 K CA 0.901 57.117 56.287 -0.117 0.000 0.938 377 K CB 0.083 32.477 32.500 -0.178 0.000 0.718 377 K HN -0.005 nan 8.250 nan 0.000 0.442 378 V N 2.034 121.770 119.914 -0.297 0.000 2.343 378 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 378 V C 2.367 178.429 176.094 -0.054 0.000 1.051 378 V CA 1.717 63.918 62.300 -0.165 0.000 1.036 378 V CB -0.416 31.334 31.823 -0.122 0.000 0.654 378 V HN 0.336 nan 8.190 nan 0.000 0.451 379 K N 0.445 120.816 120.400 -0.049 0.000 2.063 379 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 379 K C 2.171 178.712 176.600 -0.098 0.000 1.048 379 K CA 1.693 57.952 56.287 -0.047 0.000 0.928 379 K CB -0.340 32.168 32.500 0.014 0.000 0.713 379 K HN 0.422 nan 8.250 nan 0.000 0.442 380 A N 0.955 123.731 122.820 -0.073 0.000 1.902 380 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 380 A C 2.325 179.837 177.584 -0.120 0.000 1.181 380 A CA 1.795 53.784 52.037 -0.080 0.000 0.623 380 A CB -0.773 18.199 19.000 -0.047 0.000 0.818 380 A HN 0.499 nan 8.150 nan 0.000 0.443 381 A N -0.416 122.339 122.820 -0.108 0.000 1.902 381 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 381 A C 2.119 179.464 177.584 -0.397 0.000 1.181 381 A CA 1.714 53.700 52.037 -0.085 0.000 0.623 381 A CB -0.647 18.425 19.000 0.121 0.000 0.818 381 A HN 0.724 nan 8.150 nan 0.000 0.443 382 L N 0.437 121.241 121.223 -0.698 0.000 2.012 382 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 382 L C 2.121 178.569 176.870 -0.703 0.000 1.073 382 L CA 2.541 56.603 54.840 -1.297 0.000 0.748 382 L CB -0.919 40.654 42.059 -0.810 0.000 0.891 382 L HN 0.546 nan 8.230 nan 0.000 0.431 383 E N -0.451 119.525 120.200 -0.373 0.000 2.130 383 E HA -0.259 4.090 4.350 -0.001 0.000 0.196 383 E C 2.003 178.482 176.600 -0.203 0.000 0.998 383 E CA 1.660 57.923 56.400 -0.229 0.000 0.806 383 E CB -0.117 29.498 29.700 -0.142 0.000 0.738 383 E HN 0.573 nan 8.360 nan 0.000 0.459 384 K N -1.095 119.181 120.400 -0.206 0.000 2.323 384 K HA 0.075 4.395 4.320 -0.001 0.000 0.197 384 K C 1.163 177.688 176.600 -0.125 0.000 1.043 384 K CA 0.557 56.769 56.287 -0.125 0.000 0.997 384 K CB 0.732 33.187 32.500 -0.074 0.000 0.807 384 K HN 0.229 nan 8.250 nan 0.000 0.497 385 G N 1.396 110.029 108.800 -0.279 0.000 2.136 385 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.242 385 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.242 385 G C 0.156 175.164 174.900 0.181 0.000 0.989 385 G CA 0.141 45.130 45.100 -0.186 0.000 0.682 385 G HN 0.470 nan 8.290 nan 0.000 0.522 386 A N -0.056 122.851 122.820 0.144 0.000 2.287 386 A HA 0.806 5.125 4.320 -0.001 0.000 0.273 386 A C 0.974 178.727 177.584 0.281 0.000 1.091 386 A CA 0.648 52.793 52.037 0.179 0.000 0.817 386 A CB 0.522 19.562 19.000 0.067 0.000 1.069 386 A HN 1.144 nan 8.150 nan 0.000 0.492 387 S N 1.993 117.745 115.700 0.086 0.000 2.549 387 S HA 0.320 4.790 4.470 -0.001 0.000 0.283 387 S C -2.251 172.251 174.600 -0.163 0.000 1.320 387 S CA -0.441 57.650 58.200 -0.182 0.000 1.058 387 S CB 0.038 63.213 63.200 -0.043 0.000 0.882 387 S HN 0.541 nan 8.310 nan 0.000 0.498 388 P HA 0.121 nan 4.420 nan 0.000 0.270 388 P C 1.210 178.578 177.300 0.113 0.000 1.223 388 P CA -0.158 62.909 63.100 -0.055 0.000 0.785 388 P CB 0.248 31.888 31.700 -0.100 0.000 0.923 389 G N 1.191 110.083 108.800 0.153 0.000 2.469 389 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.220 389 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.220 389 G C 0.724 175.702 174.900 0.130 0.000 1.136 389 G CA 0.771 45.975 45.100 0.174 0.000 0.759 389 G HN 0.450 nan 8.290 nan 0.000 0.562 390 D N -0.374 120.072 120.400 0.077 0.000 2.349 390 D HA 0.172 4.811 4.640 -0.001 0.000 0.224 390 D C -0.041 175.927 176.300 -0.555 0.000 1.029 390 D CA 0.201 54.051 54.000 -0.251 0.000 0.879 390 D CB 0.054 40.625 40.800 -0.382 0.000 0.906 390 D HN 0.266 nan 8.370 nan 0.000 0.528 391 F N -0.212 119.751 119.950 0.022 0.000 2.598 391 F HA 0.413 4.940 4.527 -0.001 0.000 0.327 391 F C -1.890 173.937 175.800 0.045 0.000 1.057 391 F CA -2.725 55.299 58.000 0.040 0.000 0.957 391 F CB 0.564 39.578 39.000 0.023 0.000 1.278 391 F HN -0.383 nan 8.300 nan 0.000 0.484 392 P HA 0.098 nan 4.420 nan 0.000 0.267 392 P C -0.840 176.551 177.300 0.150 0.000 1.200 392 P CA -0.144 63.063 63.100 0.178 0.000 0.772 392 P CB 0.412 32.226 31.700 0.191 0.000 0.855 393 R N 2.621 123.174 120.500 0.087 0.000 2.612 393 R HA 0.070 4.409 4.340 -0.001 0.000 0.273 393 R C 0.703 177.009 176.300 0.010 0.000 1.376 393 R CA 0.295 56.424 56.100 0.048 0.000 1.171 393 R CB -0.091 30.226 30.300 0.028 0.000 1.151 393 R HN 0.576 nan 8.270 nan 0.000 0.560 394 E N 0.799 121.004 120.200 0.009 0.000 2.330 394 E HA -0.027 4.322 4.350 -0.001 0.000 0.200 394 E C -0.296 176.140 176.600 -0.273 0.000 0.922 394 E CA -0.194 56.117 56.400 -0.148 0.000 0.935 394 E CB 0.546 30.243 29.700 -0.005 0.000 0.917 394 E HN 0.448 nan 8.360 nan 0.000 0.491 395 D N 0.330 120.688 120.400 -0.071 0.000 2.702 395 D HA -0.231 4.408 4.640 -0.001 0.000 0.233 395 D C 0.104 176.350 176.300 -0.089 0.000 1.164 395 D CA 0.702 54.682 54.000 -0.034 0.000 0.638 395 D CB -1.372 39.411 40.800 -0.029 0.000 1.041 395 D HN 0.344 nan 8.370 nan 0.000 0.422 396 Y N 0.198 120.477 120.300 -0.035 0.000 2.207 396 Y HA -0.164 4.386 4.550 -0.001 0.000 0.287 396 Y C 2.287 177.792 175.900 -0.658 0.000 1.156 396 Y CA 1.687 59.675 58.100 -0.187 0.000 1.182 396 Y CB -0.113 38.263 38.460 -0.140 0.000 0.979 396 Y HN 0.217 nan 8.280 nan 0.000 0.521 397 E N -0.883 119.002 120.200 -0.526 0.000 2.502 397 E HA -0.085 4.264 4.350 -0.001 0.000 0.194 397 E C 1.964 178.526 176.600 -0.065 0.000 1.062 397 E CA 0.855 56.888 56.400 -0.611 0.000 0.867 397 E CB -0.199 29.433 29.700 -0.115 0.000 0.888 397 E HN 0.555 nan 8.360 nan 0.000 0.510 398 T N 0.850 115.404 114.554 -0.001 0.000 2.778 398 T HA -0.215 4.134 4.350 -0.001 0.000 0.269 398 T C 1.455 176.231 174.700 0.126 0.000 1.050 398 T CA 1.543 63.681 62.100 0.065 0.000 1.137 398 T CB -0.253 68.642 68.868 0.045 0.000 0.860 398 T HN 0.192 nan 8.240 nan 0.000 0.468 399 N N -1.020 117.808 118.700 0.213 0.000 2.282 399 N HA 0.074 4.814 4.740 -0.001 0.000 0.240 399 N C -0.979 174.781 175.510 0.416 0.000 1.182 399 N CA -0.675 52.533 53.050 0.263 0.000 0.874 399 N CB -0.181 38.440 38.487 0.224 0.000 1.126 399 N HN 0.375 nan 8.380 nan 0.000 0.516 400 W N 1.407 122.774 121.300 0.112 0.000 2.313 400 W HA 0.481 5.140 4.660 -0.001 0.000 0.328 400 W C 0.766 177.361 176.519 0.127 0.000 1.197 400 W CA -0.527 56.874 57.345 0.094 0.000 1.235 400 W CB 0.632 30.132 29.460 0.068 0.000 1.158 400 W HN -0.005 nan 8.180 nan 0.000 0.578 401 E N 0.014 120.371 120.200 0.262 0.000 2.222 401 E HA 0.522 4.872 4.350 -0.001 0.000 0.272 401 E C 0.866 177.652 176.600 0.310 0.000 0.982 401 E CA 0.238 56.765 56.400 0.212 0.000 0.842 401 E CB 1.327 31.085 29.700 0.098 0.000 1.144 401 E HN 0.590 nan 8.360 nan 0.000 0.397 402 G N 2.704 111.653 108.800 0.250 0.000 2.176 402 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.253 402 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.253 402 G C 0.365 175.408 174.900 0.238 0.000 0.979 402 G CA 0.411 45.657 45.100 0.243 0.000 0.641 402 G HN 0.557 nan 8.290 nan 0.000 0.530 403 R N -0.394 120.315 120.500 0.348 0.000 2.643 403 R HA 0.476 4.815 4.340 -0.001 0.000 0.270 403 R C 0.113 176.512 176.300 0.165 0.000 1.061 403 R CA -0.582 55.697 56.100 0.298 0.000 1.107 403 R CB 0.085 30.619 30.300 0.388 0.000 0.999 403 R HN 0.192 nan 8.270 nan 0.000 0.460 404 F N 3.376 123.336 119.950 0.017 0.000 2.456 404 F HA 0.145 4.671 4.527 -0.001 0.000 0.358 404 F C 0.189 175.975 175.800 -0.024 0.000 1.095 404 F CA 0.422 58.419 58.000 -0.003 0.000 1.216 404 F CB 0.814 39.822 39.000 0.013 0.000 1.125 404 F HN 0.605 nan 8.300 nan 0.000 0.549 405 T N 3.140 117.492 114.554 -0.337 0.000 2.883 405 T HA 0.369 4.718 4.350 -0.001 0.000 0.284 405 T C 1.106 175.622 174.700 -0.306 0.000 1.041 405 T CA -0.887 61.078 62.100 -0.224 0.000 1.007 405 T CB 1.072 69.835 68.868 -0.174 0.000 1.220 405 T HN 0.650 nan 8.240 nan 0.000 0.552 406 L N 0.435 121.558 121.223 -0.166 0.000 2.127 406 L HA -0.041 4.299 4.340 -0.001 0.000 0.211 406 L C 3.117 179.893 176.870 -0.157 0.000 1.089 406 L CA 1.672 56.444 54.840 -0.112 0.000 0.757 406 L CB -0.913 41.100 42.059 -0.078 0.000 0.899 406 L HN 0.936 nan 8.230 nan 0.000 0.434 407 A N -0.757 121.949 122.820 -0.190 0.000 2.125 407 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 407 A C 1.706 179.145 177.584 -0.242 0.000 1.156 407 A CA 1.509 53.442 52.037 -0.172 0.000 0.671 407 A CB -0.310 18.606 19.000 -0.140 0.000 0.794 407 A HN 0.370 nan 8.150 nan 0.000 0.459 408 D N -0.534 119.583 120.400 -0.472 0.000 2.350 408 D HA 0.137 4.777 4.640 -0.001 0.000 0.213 408 D C 0.314 176.397 176.300 -0.362 0.000 1.031 408 D CA 0.068 53.691 54.000 -0.628 0.000 0.861 408 D CB 0.030 39.995 40.800 -1.391 0.000 0.926 408 D HN 0.377 nan 8.370 nan 0.000 0.520 409 L N 2.412 123.541 121.223 -0.156 0.000 2.455 409 L HA 0.016 4.355 4.340 -0.001 0.000 0.272 409 L C 0.842 177.771 176.870 0.098 0.000 1.174 409 L CA -0.367 54.562 54.840 0.149 0.000 0.869 409 L CB 0.241 42.385 42.059 0.142 0.000 1.130 409 L HN -0.009 nan 8.230 nan 0.000 0.474 410 N N 2.325 121.111 118.700 0.142 0.000 2.491 410 N HA 0.149 4.888 4.740 -0.001 0.000 0.279 410 N C 0.660 176.225 175.510 0.092 0.000 1.236 410 N CA -0.740 52.359 53.050 0.082 0.000 0.982 410 N CB 0.562 39.084 38.487 0.057 0.000 1.194 410 N HN 0.455 nan 8.380 nan 0.000 0.582 411 I N -0.190 120.418 120.570 0.064 0.000 2.264 411 I HA -0.260 3.909 4.170 -0.001 0.000 0.248 411 I C 1.854 178.091 176.117 0.199 0.000 1.111 411 I CA 1.755 63.117 61.300 0.103 0.000 1.382 411 I CB -0.658 37.392 38.000 0.083 0.000 1.060 411 I HN 0.587 nan 8.210 nan 0.000 0.418 412 H N -0.746 118.364 119.070 0.066 0.000 2.357 412 H HA -0.072 4.483 4.556 -0.001 0.000 0.301 412 H C 2.188 177.558 175.328 0.070 0.000 1.082 412 H CA 0.725 56.812 56.048 0.065 0.000 1.342 412 H CB -0.332 29.473 29.762 0.072 0.000 1.389 412 H HN 0.498 nan 8.280 nan 0.000 0.511 413 G N 0.959 109.891 108.800 0.221 0.000 2.422 413 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 413 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 413 G C 1.554 176.535 174.900 0.135 0.000 1.146 413 G CA 0.483 45.684 45.100 0.167 0.000 0.769 413 G HN 0.309 nan 8.290 nan 0.000 0.547 414 K N 0.087 120.563 120.400 0.126 0.000 2.057 414 K HA -0.017 4.302 4.320 -0.001 0.000 0.207 414 K C 2.734 179.382 176.600 0.080 0.000 1.049 414 K CA 0.867 57.210 56.287 0.094 0.000 0.931 414 K CB -0.155 32.394 32.500 0.080 0.000 0.714 414 K HN 0.169 nan 8.250 nan 0.000 0.440 415 R N 0.446 120.996 120.500 0.083 0.000 2.096 415 R HA -0.059 4.281 4.340 -0.001 0.000 0.235 415 R C 2.257 178.581 176.300 0.039 0.000 1.127 415 R CA 1.188 57.321 56.100 0.055 0.000 0.968 415 R CB -0.324 30.003 30.300 0.046 0.000 0.861 415 R HN 0.162 nan 8.270 nan 0.000 0.440 416 A N 0.649 123.500 122.820 0.051 0.000 2.172 416 A HA -0.033 4.287 4.320 -0.001 0.000 0.216 416 A C 1.672 179.284 177.584 0.047 0.000 1.154 416 A CA 0.914 52.978 52.037 0.045 0.000 0.701 416 A CB -0.113 18.925 19.000 0.063 0.000 0.789 416 A HN 0.200 nan 8.150 nan 0.000 0.465 417 L N -1.537 119.715 121.223 0.049 0.000 2.857 417 L HA 0.270 4.610 4.340 -0.001 0.000 0.249 417 L C 1.410 178.288 176.870 0.014 0.000 1.172 417 L CA 0.321 55.183 54.840 0.037 0.000 0.980 417 L CB 0.128 42.224 42.059 0.062 0.000 1.299 417 L HN 0.483 nan 8.230 nan 0.000 0.535 418 G N 0.942 109.744 108.800 0.004 0.000 2.225 418 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.267 418 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.267 418 G C 0.250 175.211 174.900 0.103 0.000 1.024 418 G CA 0.354 45.461 45.100 0.012 0.000 0.784 418 G HN 0.305 nan 8.290 nan 0.000 0.507 419 M N -0.009 119.641 119.600 0.083 0.000 2.291 419 M HA 0.409 4.889 4.480 -0.001 0.000 0.324 419 M C 0.577 176.916 176.300 0.064 0.000 1.148 419 M CA -0.511 54.838 55.300 0.081 0.000 1.104 419 M CB 0.451 33.090 32.600 0.065 0.000 1.483 419 M HN 0.129 nan 8.290 nan 0.000 0.467 420 D N 0.000 120.431 120.400 0.052 0.000 6.856 420 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 420 D CA 0.000 54.024 54.000 0.041 0.000 0.868 420 D CB 0.000 40.818 40.800 0.030 0.000 0.688 420 D HN 0.000 nan 8.370 nan 0.000 0.683