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 1z9a_1_C DATA FIRST_RESID 4 DATA SEQUENCE SIPDIKLSSG HLMPSIGFGC WKLANATAGE QVYQAIKAGY RLFDGAEDYG DATA SEQUENCE NEKEVGDGVK RAIDEGLVKR EEIFLTSKLW NNYHDPKNVE TALNKTLADL DATA SEQUENCE KVDYVDLFLI HFPIAFKFVP IEEKYPPGFY CGDGNNFVYE DVPILETWKA DATA SEQUENCE LEKLVAAGKI KSIGVSNFPG ALLLDLLRGA TIKPAVLQVE HHPYLQQPKL DATA SEQUENCE IEFAQKAGVT ITAYSSFGPQ SFVEMNQGRA LNTPTLFAHD TIKAIAAKYN DATA SEQUENCE KTPAEVLLRW AAQRGIAVIP KSNLPERLVQ NRSFNTFDLT KEDFEEIAKL DATA SEQUENCE DIGLRFDDPW DWDNIPIFV 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.527 174.600 -0.122 0.000 1.055 4 S CA 0.000 58.146 58.200 -0.090 0.000 1.107 4 S CB 0.000 63.144 63.200 -0.094 0.000 0.593 5 I N 4.439 124.928 120.570 -0.135 0.000 2.406 5 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 5 I C -2.404 173.643 176.117 -0.117 0.000 1.101 5 I CA -1.609 59.595 61.300 -0.159 0.000 1.334 5 I CB 0.736 38.628 38.000 -0.181 0.000 1.421 5 I HN 0.254 nan 8.210 nan 0.000 0.513 6 P HA 0.035 nan 4.420 nan 0.000 0.265 6 P C -0.790 176.463 177.300 -0.079 0.000 1.193 6 P CA 0.054 63.102 63.100 -0.086 0.000 0.765 6 P CB 0.507 32.156 31.700 -0.085 0.000 0.823 7 D N 1.963 122.325 120.400 -0.064 0.000 2.277 7 D HA 0.423 5.063 4.640 -0.000 0.000 0.250 7 D C 0.136 176.400 176.300 -0.060 0.000 1.032 7 D CA -0.076 53.886 54.000 -0.064 0.000 0.947 7 D CB 1.369 42.146 40.800 -0.038 0.000 1.159 7 D HN 0.199 nan 8.370 nan 0.000 0.460 8 I N 1.123 121.650 120.570 -0.071 0.000 2.436 8 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 8 I C 0.289 176.384 176.117 -0.037 0.000 1.010 8 I CA -0.801 60.464 61.300 -0.059 0.000 1.098 8 I CB 1.973 39.928 38.000 -0.074 0.000 1.266 8 I HN -0.031 nan 8.210 nan 0.000 0.434 9 K N 7.583 127.969 120.400 -0.023 0.000 2.292 9 K HA 0.402 4.722 4.320 -0.000 0.000 0.290 9 K C -0.442 176.159 176.600 0.001 0.000 1.083 9 K CA -0.434 55.852 56.287 -0.002 0.000 0.918 9 K CB 0.463 32.956 32.500 -0.012 0.000 1.089 9 K HN 0.567 nan 8.250 nan 0.000 0.473 10 L N 2.607 123.853 121.223 0.037 0.000 2.476 10 L HA -0.035 4.305 4.340 -0.000 0.000 0.264 10 L C 1.838 178.722 176.870 0.023 0.000 1.224 10 L CA -0.057 54.811 54.840 0.047 0.000 0.821 10 L CB 0.708 42.840 42.059 0.123 0.000 1.101 10 L HN 0.795 nan 8.230 nan 0.000 0.488 11 S N -1.444 114.266 115.700 0.018 0.000 2.507 11 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 11 S C 1.510 176.111 174.600 0.002 0.000 0.988 11 S CA 0.745 58.945 58.200 0.000 0.000 0.944 11 S CB -0.371 62.829 63.200 -0.001 0.000 0.762 11 S HN 0.783 nan 8.310 nan 0.000 0.526 12 S N -0.158 115.557 115.700 0.025 0.000 2.593 12 S HA 0.487 4.957 4.470 -0.000 0.000 0.217 12 S C 1.647 176.148 174.600 -0.165 0.000 0.966 12 S CA 0.415 58.611 58.200 -0.007 0.000 0.914 12 S CB -0.396 62.872 63.200 0.114 0.000 0.776 12 S HN 1.313 nan 8.310 nan 0.000 0.523 13 G N 0.929 109.653 108.800 -0.127 0.000 2.258 13 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.233 13 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.233 13 G C 0.027 174.822 174.900 -0.174 0.000 1.006 13 G CA 0.048 45.036 45.100 -0.186 0.000 0.620 13 G HN 0.632 nan 8.290 nan 0.000 0.511 14 H N 0.397 119.500 119.070 0.056 0.000 2.551 14 H HA 0.567 5.123 4.556 -0.000 0.000 0.358 14 H C 0.779 176.174 175.328 0.112 0.000 1.151 14 H CA 0.036 56.140 56.048 0.093 0.000 1.374 14 H CB 0.954 30.795 29.762 0.131 0.000 1.473 14 H HN 0.246 nan 8.280 nan 0.000 0.574 15 L N 2.540 123.913 121.223 0.251 0.000 2.334 15 L HA 0.373 4.713 4.340 -0.000 0.000 0.277 15 L C 0.442 177.372 176.870 0.101 0.000 1.075 15 L CA -0.229 54.690 54.840 0.131 0.000 0.804 15 L CB 0.980 43.090 42.059 0.085 0.000 1.174 15 L HN 0.352 nan 8.230 nan 0.000 0.438 16 M N 4.410 123.941 119.600 -0.116 0.000 2.259 16 M HA 0.489 4.969 4.480 -0.000 0.000 0.304 16 M C -2.628 173.451 176.300 -0.368 0.000 1.019 16 M CA -1.727 53.245 55.300 -0.546 0.000 0.922 16 M CB 2.671 34.912 32.600 -0.597 0.000 1.600 16 M HN 0.168 nan 8.290 nan 0.000 0.433 17 P HA 0.061 nan 4.420 nan 0.000 0.268 17 P C -0.044 177.156 177.300 -0.168 0.000 1.204 17 P CA 0.091 63.072 63.100 -0.198 0.000 0.768 17 P CB 0.727 32.338 31.700 -0.148 0.000 0.842 18 S N 2.644 118.281 115.700 -0.105 0.000 2.561 18 S HA 0.077 4.547 4.470 -0.000 0.000 0.225 18 S C 0.604 175.209 174.600 0.008 0.000 0.977 18 S CA 0.456 58.623 58.200 -0.055 0.000 0.926 18 S CB -0.589 62.586 63.200 -0.042 0.000 0.769 18 S HN 0.338 nan 8.310 nan 0.000 0.533 19 I N 0.957 121.523 120.570 -0.006 0.000 2.512 19 I HA 0.641 4.811 4.170 -0.000 0.000 0.287 19 I C 0.271 176.434 176.117 0.077 0.000 1.069 19 I CA -0.817 60.528 61.300 0.075 0.000 1.056 19 I CB 1.993 40.015 38.000 0.037 0.000 1.229 19 I HN 0.219 nan 8.210 nan 0.000 0.429 20 G N 4.155 113.062 108.800 0.178 0.000 3.015 20 G HA2 0.649 4.609 3.960 -0.000 0.000 0.281 20 G HA3 0.649 4.609 3.960 -0.000 0.000 0.281 20 G C -1.993 173.095 174.900 0.314 0.000 1.386 20 G CA -0.515 44.708 45.100 0.205 0.000 0.959 20 G HN 0.329 nan 8.290 nan 0.000 0.522 21 F N 1.481 121.384 119.950 -0.078 0.000 2.361 21 F HA 0.587 5.114 4.527 -0.000 0.000 0.364 21 F C 0.729 176.556 175.800 0.044 0.000 1.117 21 F CA -0.841 57.056 58.000 -0.171 0.000 1.071 21 F CB 1.061 39.787 39.000 -0.457 0.000 1.188 21 F HN 0.554 nan 8.300 nan 0.000 0.464 22 G N 4.538 113.171 108.800 -0.279 0.000 2.334 22 G HA2 0.137 4.097 3.960 -0.000 0.000 0.261 22 G HA3 0.137 4.097 3.960 -0.000 0.000 0.261 22 G C 0.209 175.009 174.900 -0.166 0.000 1.257 22 G CA -0.426 44.605 45.100 -0.115 0.000 0.935 22 G HN 0.963 nan 8.290 nan 0.000 0.480 23 C N 3.119 122.503 119.300 0.139 0.000 2.791 23 C HA 0.148 4.607 4.460 -0.000 0.000 0.270 23 C C 0.850 175.873 174.990 0.055 0.000 1.257 23 C CA -1.301 57.839 59.018 0.203 0.000 1.699 23 C CB -1.362 26.629 27.740 0.418 0.000 1.904 23 C HN 0.752 nan 8.230 nan 0.000 0.603 24 W N 2.576 123.602 121.300 -0.455 0.000 2.322 24 W HA 0.259 4.919 4.660 -0.000 0.000 0.328 24 W C 0.930 177.171 176.519 -0.463 0.000 1.395 24 W CA -0.133 56.645 57.345 -0.944 0.000 1.267 24 W CB -0.131 28.774 29.460 -0.925 0.000 1.259 24 W HN 0.385 nan 8.180 nan 0.000 0.560 25 K N 3.239 123.364 120.400 -0.459 0.000 3.391 25 K HA -0.239 4.081 4.320 -0.000 0.000 0.307 25 K C -0.046 176.421 176.600 -0.223 0.000 1.304 25 K CA 0.446 56.461 56.287 -0.452 0.000 0.904 25 K CB -1.837 30.213 32.500 -0.750 0.000 1.293 25 K HN 0.452 nan 8.250 nan 0.000 0.470 26 L N 1.583 122.748 121.223 -0.096 0.000 2.369 26 L HA 0.244 4.584 4.340 -0.000 0.000 0.279 26 L C 1.091 177.958 176.870 -0.006 0.000 1.108 26 L CA -0.211 54.623 54.840 -0.009 0.000 0.852 26 L CB 0.616 42.736 42.059 0.101 0.000 1.169 26 L HN 0.216 nan 8.230 nan 0.000 0.452 27 A N 3.701 126.508 122.820 -0.021 0.000 2.555 27 A HA -0.025 4.295 4.320 -0.000 0.000 0.233 27 A C 1.000 178.591 177.584 0.011 0.000 1.060 27 A CA -0.013 52.013 52.037 -0.019 0.000 0.759 27 A CB 0.056 19.042 19.000 -0.023 0.000 0.995 27 A HN 0.876 nan 8.150 nan 0.000 0.506 28 N N 1.527 120.233 118.700 0.009 0.000 2.120 28 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 28 N C 1.917 177.437 175.510 0.017 0.000 1.024 28 N CA 1.992 55.054 53.050 0.021 0.000 0.852 28 N CB -0.371 38.126 38.487 0.016 0.000 1.003 28 N HN 0.786 nan 8.380 nan 0.000 0.424 29 A N -0.066 122.758 122.820 0.007 0.000 1.978 29 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 29 A C 1.974 179.564 177.584 0.010 0.000 1.170 29 A CA 2.178 54.218 52.037 0.004 0.000 0.636 29 A CB -0.862 18.137 19.000 -0.002 0.000 0.810 29 A HN 0.496 nan 8.150 nan 0.000 0.448 30 T N -4.724 109.841 114.554 0.019 0.000 3.084 30 T HA 0.598 4.948 4.350 -0.000 0.000 0.270 30 T C 1.413 176.144 174.700 0.052 0.000 1.008 30 T CA 0.765 62.883 62.100 0.031 0.000 0.900 30 T CB 0.382 69.270 68.868 0.033 0.000 1.084 30 T HN 0.444 nan 8.240 nan 0.000 0.538 31 A N 1.906 124.759 122.820 0.055 0.000 1.902 31 A HA 0.298 4.618 4.320 -0.000 0.000 0.217 31 A C 2.490 180.112 177.584 0.063 0.000 1.181 31 A CA 1.583 53.670 52.037 0.084 0.000 0.623 31 A CB -1.516 17.535 19.000 0.086 0.000 0.818 31 A HN 0.587 nan 8.150 nan 0.000 0.443 32 G N -0.335 108.484 108.800 0.031 0.000 2.459 32 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 32 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 32 G C 1.481 176.399 174.900 0.031 0.000 1.183 32 G CA 1.455 46.558 45.100 0.005 0.000 0.776 32 G HN 0.569 nan 8.290 nan 0.000 0.552 33 E N 0.534 120.759 120.200 0.042 0.000 2.077 33 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 33 E C 2.585 179.255 176.600 0.115 0.000 0.989 33 E CA 1.416 57.870 56.400 0.089 0.000 0.800 33 E CB -0.312 29.425 29.700 0.061 0.000 0.746 33 E HN 0.606 nan 8.360 nan 0.000 0.452 34 Q N -0.475 119.375 119.800 0.083 0.000 2.079 34 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 34 Q C 2.305 178.262 176.000 -0.070 0.000 0.974 34 Q CA 1.632 57.476 55.803 0.069 0.000 0.840 34 Q CB -0.016 28.826 28.738 0.173 0.000 0.898 34 Q HN 0.219 nan 8.270 nan 0.000 0.430 35 V N 0.365 120.245 119.914 -0.056 0.000 2.261 35 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 35 V C 2.001 178.013 176.094 -0.136 0.000 1.047 35 V CA 2.058 64.239 62.300 -0.198 0.000 1.015 35 V CB -0.787 30.886 31.823 -0.250 0.000 0.642 35 V HN 0.388 nan 8.190 nan 0.000 0.446 36 Y N 1.176 121.387 120.300 -0.149 0.000 2.114 36 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 36 Y C 2.691 178.562 175.900 -0.048 0.000 1.165 36 Y CA 2.055 60.101 58.100 -0.089 0.000 1.148 36 Y CB -0.374 38.047 38.460 -0.064 0.000 0.972 36 Y HN 0.227 nan 8.280 nan 0.000 0.504 37 Q N 0.110 119.834 119.800 -0.128 0.000 2.124 37 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 37 Q C 2.578 178.478 176.000 -0.167 0.000 0.977 37 Q CA 1.350 57.043 55.803 -0.183 0.000 0.850 37 Q CB -0.852 27.866 28.738 -0.033 0.000 0.901 37 Q HN 0.649 nan 8.270 nan 0.000 0.429 38 A N 0.942 123.629 122.820 -0.221 0.000 1.902 38 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 38 A C 2.176 179.781 177.584 0.036 0.000 1.181 38 A CA 1.093 52.964 52.037 -0.277 0.000 0.623 38 A CB -0.660 17.819 19.000 -0.868 0.000 0.818 38 A HN 0.307 nan 8.150 nan 0.000 0.443 39 I N -0.657 119.954 120.570 0.069 0.000 2.226 39 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 39 I C 2.471 178.585 176.117 -0.005 0.000 1.100 39 I CA 1.636 63.009 61.300 0.121 0.000 1.374 39 I CB -0.244 37.794 38.000 0.063 0.000 1.057 39 I HN 0.306 nan 8.210 nan 0.000 0.413 40 K N 0.729 121.038 120.400 -0.152 0.000 2.097 40 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 40 K C 1.974 178.554 176.600 -0.033 0.000 1.049 40 K CA 1.387 57.590 56.287 -0.140 0.000 0.933 40 K CB -0.205 32.149 32.500 -0.244 0.000 0.717 40 K HN 0.295 nan 8.250 nan 0.000 0.442 41 A N 0.120 122.954 122.820 0.024 0.000 2.239 41 A HA 0.113 4.433 4.320 -0.000 0.000 0.209 41 A C 1.412 179.051 177.584 0.092 0.000 1.171 41 A CA 1.127 53.221 52.037 0.095 0.000 0.768 41 A CB -0.347 18.765 19.000 0.187 0.000 0.790 41 A HN 0.463 nan 8.150 nan 0.000 0.478 42 G N -2.913 105.927 108.800 0.067 0.000 2.201 42 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.212 42 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.212 42 G C -0.024 174.833 174.900 -0.071 0.000 0.994 42 G CA -0.036 45.050 45.100 -0.023 0.000 0.644 42 G HN 0.351 nan 8.290 nan 0.000 0.508 43 Y N 0.689 120.967 120.300 -0.036 0.000 2.346 43 Y HA 0.638 5.188 4.550 -0.000 0.000 0.330 43 Y C 1.714 177.562 175.900 -0.088 0.000 1.178 43 Y CA -0.123 57.908 58.100 -0.116 0.000 1.331 43 Y CB 0.820 39.130 38.460 -0.249 0.000 1.253 43 Y HN -0.022 nan 8.280 nan 0.000 0.529 44 R N 1.409 121.919 120.500 0.017 0.000 2.383 44 R HA 0.211 4.551 4.340 -0.000 0.000 0.205 44 R C -0.401 176.001 176.300 0.171 0.000 0.875 44 R CA -0.147 56.044 56.100 0.152 0.000 1.039 44 R CB 0.084 30.461 30.300 0.128 0.000 1.267 44 R HN 0.639 nan 8.270 nan 0.000 0.635 45 L N 1.587 122.808 121.223 -0.004 0.000 2.292 45 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 45 L C -1.295 175.501 176.870 -0.123 0.000 1.065 45 L CA -0.420 54.496 54.840 0.126 0.000 0.806 45 L CB 0.509 42.596 42.059 0.047 0.000 1.175 45 L HN -0.191 nan 8.230 nan 0.000 0.431 46 F N 2.927 123.084 119.950 0.345 0.000 2.477 46 F HA 0.259 4.786 4.527 -0.000 0.000 0.335 46 F C -0.197 175.789 175.800 0.310 0.000 1.130 46 F CA -0.826 57.376 58.000 0.337 0.000 0.948 46 F CB 1.501 40.673 39.000 0.287 0.000 1.154 46 F HN 0.441 nan 8.300 nan 0.000 0.439 47 D N 2.505 123.147 120.400 0.403 0.000 2.411 47 D HA 0.509 5.149 4.640 -0.000 0.000 0.225 47 D C 0.221 176.750 176.300 0.381 0.000 1.156 47 D CA 0.165 54.364 54.000 0.332 0.000 0.874 47 D CB 0.555 41.509 40.800 0.256 0.000 1.034 47 D HN 0.683 nan 8.370 nan 0.000 0.502 48 G N 1.810 110.796 108.800 0.311 0.000 3.016 48 G HA2 0.858 4.818 3.960 -0.000 0.000 0.270 48 G HA3 0.858 4.818 3.960 -0.000 0.000 0.270 48 G C -1.254 173.582 174.900 -0.107 0.000 1.352 48 G CA -0.514 44.755 45.100 0.281 0.000 1.060 48 G HN 0.696 nan 8.290 nan 0.000 0.538 49 A N -1.533 121.070 122.820 -0.362 0.000 2.599 49 A HA 0.608 4.928 4.320 -0.000 0.000 0.294 49 A C 0.300 177.731 177.584 -0.255 0.000 1.055 49 A CA -0.210 51.481 52.037 -0.577 0.000 0.683 49 A CB 0.714 18.829 19.000 -1.475 0.000 1.278 49 A HN 0.566 nan 8.150 nan 0.000 0.412 50 E N 0.273 120.466 120.200 -0.011 0.000 2.072 50 E HA -0.200 4.149 4.350 -0.000 0.000 0.191 50 E C 0.903 177.432 176.600 -0.118 0.000 0.985 50 E CA 1.609 58.083 56.400 0.123 0.000 0.801 50 E CB -0.002 29.940 29.700 0.403 0.000 0.750 50 E HN 0.831 nan 8.360 nan 0.000 0.452 51 D N -0.305 119.963 120.400 -0.220 0.000 2.311 51 D HA -0.185 4.455 4.640 -0.000 0.000 0.212 51 D C 1.089 177.310 176.300 -0.131 0.000 0.972 51 D CA 0.812 54.517 54.000 -0.492 0.000 0.887 51 D CB 0.048 40.304 40.800 -0.907 0.000 0.915 51 D HN 0.172 nan 8.370 nan 0.000 0.497 52 Y N -0.163 120.108 120.300 -0.049 0.000 2.561 52 Y HA 0.225 4.775 4.550 -0.000 0.000 0.291 52 Y C 2.223 178.121 175.900 -0.002 0.000 1.141 52 Y CA 0.459 58.593 58.100 0.057 0.000 1.303 52 Y CB -0.795 37.762 38.460 0.162 0.000 1.015 52 Y HN 0.058 nan 8.280 nan 0.000 0.547 53 G N 1.695 110.535 108.800 0.065 0.000 2.258 53 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.274 53 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.274 53 G C 0.357 175.313 174.900 0.093 0.000 1.021 53 G CA 0.826 45.935 45.100 0.016 0.000 0.798 53 G HN 0.565 nan 8.290 nan 0.000 0.507 54 N N -1.327 117.461 118.700 0.147 0.000 2.307 54 N HA 0.132 4.872 4.740 -0.000 0.000 0.248 54 N C 0.889 176.482 175.510 0.139 0.000 1.322 54 N CA 0.347 53.476 53.050 0.133 0.000 0.861 54 N CB 0.098 38.665 38.487 0.134 0.000 1.303 54 N HN 0.395 nan 8.380 nan 0.000 0.498 55 E N 0.963 121.253 120.200 0.149 0.000 2.110 55 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 55 E C 1.305 177.954 176.600 0.081 0.000 0.988 55 E CA 0.868 57.345 56.400 0.128 0.000 0.804 55 E CB 0.184 29.969 29.700 0.142 0.000 0.745 55 E HN 0.454 nan 8.360 nan 0.000 0.458 56 K N 1.144 121.591 120.400 0.079 0.000 2.057 56 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 56 K C 1.841 178.455 176.600 0.024 0.000 1.049 56 K CA 1.547 57.859 56.287 0.042 0.000 0.931 56 K CB 0.147 32.673 32.500 0.044 0.000 0.714 56 K HN -0.070 nan 8.250 nan 0.000 0.440 57 E N 0.074 120.297 120.200 0.038 0.000 2.106 57 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 57 E C 1.883 178.490 176.600 0.011 0.000 0.984 57 E CA 0.971 57.384 56.400 0.023 0.000 0.806 57 E CB -0.063 29.658 29.700 0.036 0.000 0.750 57 E HN 0.052 nan 8.360 nan 0.000 0.458 58 V N 0.675 120.608 119.914 0.031 0.000 2.392 58 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 58 V C 2.223 178.276 176.094 -0.068 0.000 1.059 58 V CA 2.021 64.317 62.300 -0.007 0.000 1.051 58 V CB -1.116 30.738 31.823 0.051 0.000 0.658 58 V HN 0.447 nan 8.190 nan 0.000 0.455 59 G N -0.212 108.566 108.800 -0.037 0.000 2.446 59 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 59 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 59 G C 1.249 176.109 174.900 -0.066 0.000 1.168 59 G CA 1.073 46.139 45.100 -0.057 0.000 0.771 59 G HN 0.507 nan 8.290 nan 0.000 0.551 60 D N 0.759 121.129 120.400 -0.050 0.000 2.133 60 D HA -0.108 4.531 4.640 -0.000 0.000 0.195 60 D C 2.636 178.895 176.300 -0.069 0.000 0.997 60 D CA 1.435 55.401 54.000 -0.056 0.000 0.840 60 D CB -0.780 39.993 40.800 -0.045 0.000 0.947 60 D HN 0.344 nan 8.370 nan 0.000 0.452 61 G N 0.624 109.383 108.800 -0.068 0.000 2.422 61 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 61 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 61 G C 1.893 176.760 174.900 -0.055 0.000 1.146 61 G CA 0.661 45.730 45.100 -0.051 0.000 0.769 61 G HN 0.237 nan 8.290 nan 0.000 0.547 62 V N 0.754 120.590 119.914 -0.129 0.000 2.283 62 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 62 V C 2.627 178.688 176.094 -0.054 0.000 1.039 62 V CA 2.126 64.351 62.300 -0.125 0.000 1.016 62 V CB -0.423 31.300 31.823 -0.166 0.000 0.650 62 V HN 0.414 nan 8.190 nan 0.000 0.449 63 K N 0.384 120.748 120.400 -0.061 0.000 2.074 63 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 63 K C 2.392 178.973 176.600 -0.032 0.000 1.048 63 K CA 2.032 58.290 56.287 -0.048 0.000 0.926 63 K CB -0.204 32.263 32.500 -0.055 0.000 0.713 63 K HN 0.326 nan 8.250 nan 0.000 0.444 64 R N 0.112 120.585 120.500 -0.045 0.000 2.083 64 R HA -0.143 4.196 4.340 -0.000 0.000 0.237 64 R C 2.153 178.479 176.300 0.044 0.000 1.137 64 R CA 1.565 57.624 56.100 -0.069 0.000 0.951 64 R CB -0.406 29.766 30.300 -0.213 0.000 0.851 64 R HN 0.293 nan 8.270 nan 0.000 0.434 65 A N 0.811 123.734 122.820 0.172 0.000 1.972 65 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 65 A C 2.124 179.776 177.584 0.114 0.000 1.169 65 A CA 1.330 53.513 52.037 0.242 0.000 0.635 65 A CB -0.410 18.697 19.000 0.178 0.000 0.810 65 A HN 0.406 nan 8.150 nan 0.000 0.446 66 I N -0.580 120.024 120.570 0.058 0.000 2.406 66 I HA -0.144 4.026 4.170 -0.000 0.000 0.249 66 I C 1.551 177.683 176.117 0.026 0.000 1.122 66 I CA 1.040 62.360 61.300 0.033 0.000 1.431 66 I CB -0.360 37.645 38.000 0.008 0.000 1.087 66 I HN 0.181 nan 8.210 nan 0.000 0.424 67 D N 1.004 121.413 120.400 0.015 0.000 2.178 67 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 67 D C 1.785 178.095 176.300 0.016 0.000 0.974 67 D CA 1.138 55.140 54.000 0.004 0.000 0.841 67 D CB -0.099 40.691 40.800 -0.017 0.000 0.953 67 D HN 0.394 nan 8.370 nan 0.000 0.478 68 E N -0.457 119.767 120.200 0.039 0.000 2.489 68 E HA 0.183 4.533 4.350 -0.000 0.000 0.193 68 E C 0.951 177.584 176.600 0.055 0.000 1.057 68 E CA 0.221 56.653 56.400 0.054 0.000 0.866 68 E CB 0.324 30.085 29.700 0.101 0.000 0.916 68 E HN 0.221 nan 8.360 nan 0.000 0.500 69 G N 1.465 110.294 108.800 0.048 0.000 2.176 69 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 69 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 69 G C 0.698 175.626 174.900 0.046 0.000 1.024 69 G CA 0.304 45.428 45.100 0.041 0.000 0.755 69 G HN 0.277 nan 8.290 nan 0.000 0.507 70 L N -1.183 120.075 121.223 0.059 0.000 2.240 70 L HA 0.312 4.652 4.340 -0.000 0.000 0.211 70 L C 1.422 178.318 176.870 0.043 0.000 1.106 70 L CA 1.343 56.211 54.840 0.047 0.000 0.793 70 L CB -0.194 41.892 42.059 0.045 0.000 0.927 70 L HN 0.587 nan 8.230 nan 0.000 0.446 71 V N -4.833 115.112 119.914 0.051 0.000 3.216 71 V HA 0.462 4.582 4.120 -0.000 0.000 0.302 71 V C -1.195 174.929 176.094 0.050 0.000 1.286 71 V CA -1.265 61.068 62.300 0.055 0.000 1.048 71 V CB 2.078 33.944 31.823 0.073 0.000 1.081 71 V HN -0.063 nan 8.190 nan 0.000 0.442 72 K N 0.260 120.691 120.400 0.052 0.000 2.221 72 K HA 0.566 4.886 4.320 -0.000 0.000 0.243 72 K C 0.630 177.260 176.600 0.050 0.000 0.968 72 K CA -0.972 55.342 56.287 0.044 0.000 0.846 72 K CB 2.322 34.849 32.500 0.044 0.000 1.141 72 K HN 0.774 nan 8.250 nan 0.000 0.434 73 R N 1.767 122.286 120.500 0.032 0.000 2.113 73 R HA -0.229 4.111 4.340 -0.000 0.000 0.244 73 R C 1.059 177.401 176.300 0.070 0.000 1.142 73 R CA 2.160 58.271 56.100 0.018 0.000 0.953 73 R CB -0.301 29.985 30.300 -0.023 0.000 0.860 73 R HN 0.639 nan 8.270 nan 0.000 0.438 74 E N 0.350 120.608 120.200 0.097 0.000 2.267 74 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 74 E C 1.639 178.317 176.600 0.130 0.000 0.998 74 E CA 1.664 58.141 56.400 0.128 0.000 0.830 74 E CB -0.099 29.663 29.700 0.103 0.000 0.751 74 E HN 0.599 nan 8.360 nan 0.000 0.491 75 E N -0.338 119.932 120.200 0.115 0.000 2.371 75 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 75 E C 0.044 176.749 176.600 0.175 0.000 1.012 75 E CA 0.088 56.564 56.400 0.128 0.000 0.860 75 E CB 0.359 30.119 29.700 0.100 0.000 0.811 75 E HN 0.145 nan 8.360 nan 0.000 0.502 76 I N 0.798 121.479 120.570 0.184 0.000 2.392 76 I HA 0.182 4.352 4.170 -0.000 0.000 0.295 76 I C -0.456 175.836 176.117 0.291 0.000 0.985 76 I CA -0.650 60.805 61.300 0.259 0.000 1.221 76 I CB 0.758 38.883 38.000 0.207 0.000 1.366 76 I HN -0.109 nan 8.210 nan 0.000 0.467 77 F N 6.923 127.003 119.950 0.218 0.000 2.375 77 F HA 0.481 5.008 4.527 -0.000 0.000 0.361 77 F C -0.664 175.281 175.800 0.242 0.000 1.117 77 F CA -0.541 57.574 58.000 0.191 0.000 1.037 77 F CB 0.735 39.824 39.000 0.148 0.000 1.192 77 F HN 0.198 nan 8.300 nan 0.000 0.452 78 L N 6.049 127.311 121.223 0.065 0.000 2.272 78 L HA 0.452 4.792 4.340 -0.000 0.000 0.289 78 L C -0.166 176.761 176.870 0.094 0.000 1.032 78 L CA -0.438 54.491 54.840 0.149 0.000 0.810 78 L CB 1.574 43.660 42.059 0.044 0.000 1.205 78 L HN 0.501 nan 8.230 nan 0.000 0.422 79 T N 1.651 116.362 114.554 0.261 0.000 2.797 79 T HA 0.463 4.813 4.350 -0.000 0.000 0.279 79 T C -0.241 174.583 174.700 0.207 0.000 0.991 79 T CA -0.335 61.915 62.100 0.250 0.000 0.979 79 T CB 1.854 70.918 68.868 0.326 0.000 0.943 79 T HN 0.587 nan 8.240 nan 0.000 0.444 80 S N 2.463 118.296 115.700 0.222 0.000 2.704 80 S HA 0.758 5.228 4.470 -0.000 0.000 0.296 80 S C -1.671 172.979 174.600 0.083 0.000 1.138 80 S CA -0.894 57.429 58.200 0.205 0.000 0.875 80 S CB 1.149 64.556 63.200 0.345 0.000 1.151 80 S HN 0.610 nan 8.310 nan 0.000 0.500 81 K N 1.315 121.670 120.400 -0.075 0.000 2.468 81 K HA 0.444 4.764 4.320 -0.000 0.000 0.252 81 K C -1.640 174.842 176.600 -0.196 0.000 0.932 81 K CA -0.796 55.297 56.287 -0.325 0.000 0.794 81 K CB 1.900 34.130 32.500 -0.450 0.000 1.241 81 K HN 0.435 nan 8.250 nan 0.000 0.428 82 L N 3.953 124.887 121.223 -0.482 0.000 2.385 82 L HA 0.155 4.495 4.340 -0.000 0.000 0.281 82 L C -0.180 176.938 176.870 0.413 0.000 1.106 82 L CA 0.085 54.922 54.840 -0.004 0.000 0.856 82 L CB 0.002 41.960 42.059 -0.170 0.000 1.186 82 L HN 0.638 nan 8.230 nan 0.000 0.453 83 W N 5.293 126.835 121.300 0.404 0.000 2.079 83 W HA -0.043 4.617 4.660 -0.000 0.000 0.354 83 W C 0.839 177.461 176.519 0.171 0.000 1.302 83 W CA -0.729 56.781 57.345 0.274 0.000 1.281 83 W CB 0.694 30.253 29.460 0.165 0.000 1.165 83 W HN 0.669 nan 8.180 nan 0.000 0.603 84 N N 2.153 120.157 118.700 -1.159 0.000 2.272 84 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 84 N C 0.756 175.919 175.510 -0.578 0.000 1.014 84 N CA 1.562 53.983 53.050 -1.048 0.000 0.870 84 N CB -0.380 37.005 38.487 -1.837 0.000 0.975 84 N HN 0.430 nan 8.380 nan 0.000 0.433 85 N N -0.176 118.244 118.700 -0.465 0.000 2.521 85 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 85 N C -0.263 175.306 175.510 0.098 0.000 1.146 85 N CA 0.399 53.355 53.050 -0.158 0.000 0.893 85 N CB 0.002 38.385 38.487 -0.173 0.000 0.975 85 N HN 0.355 nan 8.380 nan 0.000 0.451 86 Y N -1.269 119.287 120.300 0.428 0.000 2.736 86 Y HA 0.310 4.859 4.550 -0.000 0.000 0.293 86 Y C 0.932 177.049 175.900 0.363 0.000 1.062 86 Y CA -0.939 57.415 58.100 0.423 0.000 1.247 86 Y CB -0.899 37.822 38.460 0.434 0.000 1.200 86 Y HN 0.279 nan 8.280 nan 0.000 0.552 87 H N -1.072 118.135 119.070 0.230 0.000 2.482 87 H HA -0.036 4.520 4.556 -0.000 0.000 0.286 87 H C 0.246 175.658 175.328 0.141 0.000 1.017 87 H CA 0.231 56.380 56.048 0.168 0.000 1.322 87 H CB 0.565 30.397 29.762 0.117 0.000 1.426 87 H HN 0.215 nan 8.280 nan 0.000 0.546 88 D N 1.028 121.575 120.400 0.244 0.000 2.450 88 D HA -0.034 4.606 4.640 -0.000 0.000 0.247 88 D C -1.630 174.718 176.300 0.079 0.000 1.162 88 D CA -1.782 52.295 54.000 0.127 0.000 0.879 88 D CB 1.385 42.223 40.800 0.064 0.000 1.163 88 D HN 0.070 nan 8.370 nan 0.000 0.472 89 P HA -0.195 nan 4.420 nan 0.000 0.216 89 P C 0.922 178.223 177.300 0.001 0.000 1.153 89 P CA 1.899 65.021 63.100 0.037 0.000 0.858 89 P CB -0.006 31.714 31.700 0.034 0.000 0.789 90 K N -1.540 118.843 120.400 -0.028 0.000 2.574 90 K HA -0.031 4.289 4.320 -0.000 0.000 0.193 90 K C 0.883 177.407 176.600 -0.127 0.000 1.035 90 K CA 1.159 57.406 56.287 -0.067 0.000 0.982 90 K CB -0.442 32.014 32.500 -0.074 0.000 0.795 90 K HN 0.112 nan 8.250 nan 0.000 0.491 91 N N 0.145 118.772 118.700 -0.122 0.000 2.193 91 N HA 0.024 4.764 4.740 -0.000 0.000 0.210 91 N C 1.433 176.954 175.510 0.019 0.000 1.215 91 N CA 0.144 53.099 53.050 -0.159 0.000 0.901 91 N CB 0.587 38.850 38.487 -0.374 0.000 1.060 91 N HN -0.051 nan 8.380 nan 0.000 0.508 92 V N 2.006 121.962 119.914 0.071 0.000 2.233 92 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 92 V C 2.399 178.541 176.094 0.079 0.000 1.050 92 V CA 2.013 64.393 62.300 0.134 0.000 1.010 92 V CB -0.433 31.460 31.823 0.117 0.000 0.637 92 V HN 0.359 nan 8.190 nan 0.000 0.444 93 E N -0.425 119.784 120.200 0.014 0.000 2.209 93 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 93 E C 2.112 178.684 176.600 -0.046 0.000 0.993 93 E CA 1.695 58.077 56.400 -0.029 0.000 0.819 93 E CB -0.101 29.575 29.700 -0.039 0.000 0.745 93 E HN 0.663 nan 8.360 nan 0.000 0.477 94 T N 0.210 114.739 114.554 -0.041 0.000 2.737 94 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 94 T C 1.823 176.463 174.700 -0.101 0.000 1.038 94 T CA 1.253 63.318 62.100 -0.058 0.000 1.144 94 T CB -0.269 68.579 68.868 -0.032 0.000 0.866 94 T HN 0.354 nan 8.240 nan 0.000 0.434 95 A N 1.417 124.165 122.820 -0.120 0.000 1.877 95 A HA -0.010 4.309 4.320 -0.000 0.000 0.216 95 A C 2.236 179.815 177.584 -0.007 0.000 1.186 95 A CA 1.270 53.205 52.037 -0.170 0.000 0.620 95 A CB -0.876 18.033 19.000 -0.152 0.000 0.822 95 A HN 0.392 nan 8.150 nan 0.000 0.443 96 L N 0.567 121.786 121.223 -0.008 0.000 2.042 96 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 96 L C 1.739 178.503 176.870 -0.176 0.000 1.076 96 L CA 2.243 56.956 54.840 -0.211 0.000 0.749 96 L CB -0.943 40.892 42.059 -0.373 0.000 0.893 96 L HN 0.336 nan 8.230 nan 0.000 0.432 97 N N -0.133 118.490 118.700 -0.128 0.000 2.223 97 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 97 N C 1.815 177.259 175.510 -0.109 0.000 1.016 97 N CA 1.159 54.141 53.050 -0.113 0.000 0.863 97 N CB -0.211 38.221 38.487 -0.091 0.000 0.983 97 N HN 0.314 nan 8.380 nan 0.000 0.429 98 K N 0.686 121.015 120.400 -0.119 0.000 2.057 98 K HA 0.043 4.363 4.320 -0.000 0.000 0.206 98 K C 1.841 178.397 176.600 -0.073 0.000 1.050 98 K CA 1.398 57.595 56.287 -0.149 0.000 0.935 98 K CB -0.786 31.552 32.500 -0.270 0.000 0.715 98 K HN -0.026 nan 8.250 nan 0.000 0.439 99 T N 1.315 115.861 114.554 -0.013 0.000 2.746 99 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 99 T C 1.676 176.355 174.700 -0.034 0.000 1.039 99 T CA 1.579 63.700 62.100 0.035 0.000 1.142 99 T CB -0.200 68.716 68.868 0.080 0.000 0.866 99 T HN 0.129 nan 8.240 nan 0.000 0.444 100 L N 0.605 121.773 121.223 -0.092 0.000 2.046 100 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 100 L C 3.022 179.841 176.870 -0.085 0.000 1.077 100 L CA 1.201 55.977 54.840 -0.107 0.000 0.747 100 L CB -0.676 41.306 42.059 -0.128 0.000 0.896 100 L HN 0.224 nan 8.230 nan 0.000 0.432 101 A N 0.081 122.855 122.820 -0.077 0.000 1.858 101 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 101 A C 1.963 179.516 177.584 -0.052 0.000 1.190 101 A CA 2.034 54.031 52.037 -0.067 0.000 0.617 101 A CB -0.619 18.338 19.000 -0.072 0.000 0.827 101 A HN 0.347 nan 8.150 nan 0.000 0.443 102 D N 0.084 120.462 120.400 -0.036 0.000 2.104 102 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 102 D C 1.851 178.144 176.300 -0.013 0.000 0.994 102 D CA 1.210 55.206 54.000 -0.007 0.000 0.830 102 D CB -0.422 40.402 40.800 0.041 0.000 0.959 102 D HN 0.429 nan 8.370 nan 0.000 0.452 103 L N -0.160 121.050 121.223 -0.022 0.000 2.376 103 L HA -0.038 4.301 4.340 -0.000 0.000 0.219 103 L C 0.482 177.310 176.870 -0.070 0.000 1.133 103 L CA 0.471 55.287 54.840 -0.040 0.000 0.816 103 L CB -0.228 41.803 42.059 -0.048 0.000 0.933 103 L HN 0.056 nan 8.230 nan 0.000 0.449 104 K N -0.121 120.236 120.400 -0.073 0.000 3.162 104 K HA -0.142 4.178 4.320 -0.000 0.000 0.268 104 K C -0.650 175.883 176.600 -0.112 0.000 1.062 104 K CA 0.506 56.745 56.287 -0.080 0.000 0.769 104 K CB -1.878 30.582 32.500 -0.066 0.000 1.274 104 K HN 0.322 nan 8.250 nan 0.000 0.478 105 V N -4.306 115.522 119.914 -0.144 0.000 3.102 105 V HA 0.447 4.567 4.120 -0.000 0.000 0.312 105 V C 0.732 176.702 176.094 -0.206 0.000 1.135 105 V CA -0.835 61.333 62.300 -0.220 0.000 1.022 105 V CB 2.125 33.750 31.823 -0.330 0.000 1.056 105 V HN -0.036 nan 8.190 nan 0.000 0.436 106 D N -0.039 120.215 120.400 -0.243 0.000 2.289 106 D HA 0.169 4.809 4.640 -0.000 0.000 0.207 106 D C -0.063 176.213 176.300 -0.040 0.000 0.966 106 D CA 1.913 55.852 54.000 -0.103 0.000 0.868 106 D CB 0.261 41.064 40.800 0.005 0.000 0.943 106 D HN 0.788 nan 8.370 nan 0.000 0.514 107 Y N -1.890 118.342 120.300 -0.113 0.000 2.656 107 Y HA 0.466 5.016 4.550 -0.000 0.000 0.334 107 Y C -1.160 174.644 175.900 -0.159 0.000 1.179 107 Y CA -1.838 56.174 58.100 -0.146 0.000 1.050 107 Y CB 0.746 39.121 38.460 -0.143 0.000 1.308 107 Y HN -0.255 nan 8.280 nan 0.000 0.456 108 V N -0.950 119.005 119.914 0.070 0.000 2.513 108 V HA 0.452 4.572 4.120 -0.000 0.000 0.299 108 V C 0.147 176.273 176.094 0.053 0.000 1.035 108 V CA -0.537 61.758 62.300 -0.007 0.000 0.889 108 V CB 1.902 33.690 31.823 -0.058 0.000 0.988 108 V HN 0.993 nan 8.190 nan 0.000 0.440 109 D N 1.671 121.993 120.400 -0.130 0.000 2.144 109 D HA -0.015 4.625 4.640 -0.000 0.000 0.199 109 D C 0.186 176.257 176.300 -0.381 0.000 0.984 109 D CA 1.783 55.498 54.000 -0.474 0.000 0.834 109 D CB 0.468 40.489 40.800 -1.298 0.000 0.955 109 D HN 0.454 nan 8.370 nan 0.000 0.465 110 L N -0.359 120.758 121.223 -0.178 0.000 2.493 110 L HA 0.407 4.747 4.340 -0.000 0.000 0.265 110 L C -1.943 175.061 176.870 0.223 0.000 0.954 110 L CA -0.726 54.165 54.840 0.086 0.000 0.844 110 L CB 2.302 44.525 42.059 0.273 0.000 1.302 110 L HN -0.295 nan 8.230 nan 0.000 0.405 111 F N 5.496 125.452 119.950 0.009 0.000 2.507 111 F HA 0.720 5.246 4.527 -0.000 0.000 0.328 111 F C -1.412 174.401 175.800 0.021 0.000 1.136 111 F CA -0.782 57.222 58.000 0.006 0.000 0.930 111 F CB 1.416 40.401 39.000 -0.025 0.000 1.166 111 F HN 0.327 nan 8.300 nan 0.000 0.436 112 L N 6.074 127.148 121.223 -0.249 0.000 2.330 112 L HA 0.548 4.888 4.340 -0.000 0.000 0.271 112 L C -0.373 176.334 176.870 -0.272 0.000 1.013 112 L CA -1.123 53.608 54.840 -0.181 0.000 0.816 112 L CB 2.260 44.261 42.059 -0.096 0.000 1.287 112 L HN 0.425 nan 8.230 nan 0.000 0.435 113 I N 1.409 121.921 120.570 -0.097 0.000 2.363 113 I HA -0.005 4.165 4.170 -0.000 0.000 0.292 113 I C 1.307 177.499 176.117 0.123 0.000 1.075 113 I CA 0.126 61.423 61.300 -0.006 0.000 1.333 113 I CB 0.595 38.650 38.000 0.093 0.000 1.415 113 I HN 0.707 nan 8.210 nan 0.000 0.502 114 H N 5.944 125.052 119.070 0.064 0.000 2.352 114 H HA -0.027 4.529 4.556 -0.000 0.000 0.299 114 H C -0.294 174.982 175.328 -0.087 0.000 1.097 114 H CA 1.222 57.311 56.048 0.068 0.000 1.311 114 H CB 0.408 30.372 29.762 0.336 0.000 1.377 114 H HN 0.410 nan 8.280 nan 0.000 0.504 115 F N -1.244 118.896 119.950 0.316 0.000 2.619 115 F HA 0.267 4.794 4.527 -0.000 0.000 0.308 115 F C -2.133 173.785 175.800 0.197 0.000 1.097 115 F CA -2.497 55.617 58.000 0.190 0.000 0.953 115 F CB 2.048 41.026 39.000 -0.036 0.000 1.287 115 F HN -0.113 nan 8.300 nan 0.000 0.446 116 P HA 0.239 nan 4.420 nan 0.000 0.220 116 P C -0.663 176.584 177.300 -0.088 0.000 1.778 116 P CA 0.736 63.800 63.100 -0.060 0.000 0.912 116 P CB -0.166 31.123 31.700 -0.686 0.000 1.861 117 I N 0.057 120.576 120.570 -0.084 0.000 2.582 117 I HA 0.554 4.724 4.170 -0.000 0.000 0.292 117 I C -0.268 175.462 176.117 -0.645 0.000 1.066 117 I CA -1.221 59.895 61.300 -0.306 0.000 1.053 117 I CB 2.652 40.436 38.000 -0.360 0.000 1.241 117 I HN -0.093 nan 8.210 nan 0.000 0.421 118 A N 6.053 128.639 122.820 -0.391 0.000 2.431 118 A HA 0.670 4.990 4.320 -0.000 0.000 0.318 118 A C -0.759 176.867 177.584 0.071 0.000 1.330 118 A CA -0.351 51.446 52.037 -0.401 0.000 0.804 118 A CB -0.009 18.914 19.000 -0.129 0.000 1.135 118 A HN 0.420 nan 8.150 nan 0.000 0.483 119 F N 0.914 120.792 119.950 -0.121 0.000 2.444 119 F HA 0.359 4.886 4.527 -0.000 0.000 0.331 119 F C 1.044 176.801 175.800 -0.070 0.000 1.167 119 F CA -0.693 57.240 58.000 -0.112 0.000 1.262 119 F CB 0.725 39.617 39.000 -0.180 0.000 1.196 119 F HN 0.558 nan 8.300 nan 0.000 0.583 120 K N 1.703 122.147 120.400 0.073 0.000 2.489 120 K HA 0.027 4.347 4.320 -0.000 0.000 0.278 120 K C -0.678 175.995 176.600 0.122 0.000 1.000 120 K CA 0.005 56.329 56.287 0.061 0.000 1.012 120 K CB -0.113 32.347 32.500 -0.068 0.000 0.903 120 K HN 0.347 nan 8.250 nan 0.000 0.485 121 F N 4.666 124.655 119.950 0.064 0.000 2.563 121 F HA 0.295 4.822 4.527 -0.000 0.000 0.363 121 F C -0.666 175.199 175.800 0.108 0.000 1.123 121 F CA -0.002 58.074 58.000 0.127 0.000 1.307 121 F CB 0.539 39.642 39.000 0.171 0.000 1.115 121 F HN 0.175 nan 8.300 nan 0.000 0.592 122 V N 7.443 126.907 119.914 -0.750 0.000 2.525 122 V HA 0.303 4.423 4.120 -0.000 0.000 0.299 122 V C -2.235 173.338 176.094 -0.868 0.000 1.034 122 V CA -1.918 60.038 62.300 -0.574 0.000 0.863 122 V CB 1.699 33.438 31.823 -0.141 0.000 0.999 122 V HN 0.673 nan 8.190 nan 0.000 0.423 123 P HA 0.190 nan 4.420 nan 0.000 0.265 123 P C 1.204 178.484 177.300 -0.033 0.000 1.187 123 P CA 0.205 63.131 63.100 -0.291 0.000 0.766 123 P CB 0.710 32.391 31.700 -0.033 0.000 0.820 124 I N 1.661 122.279 120.570 0.080 0.000 2.248 124 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 124 I C 1.630 177.797 176.117 0.082 0.000 1.107 124 I CA 1.762 63.123 61.300 0.101 0.000 1.373 124 I CB -0.410 37.549 38.000 -0.067 0.000 1.055 124 I HN 0.420 nan 8.210 nan 0.000 0.418 125 E N 0.342 120.571 120.200 0.047 0.000 2.204 125 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 125 E C 1.875 178.504 176.600 0.047 0.000 0.989 125 E CA 0.714 57.137 56.400 0.039 0.000 0.824 125 E CB -0.164 29.553 29.700 0.029 0.000 0.756 125 E HN 0.343 nan 8.360 nan 0.000 0.477 126 E N 0.903 121.135 120.200 0.053 0.000 2.031 126 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 126 E C 0.179 176.807 176.600 0.047 0.000 0.994 126 E CA 1.181 57.613 56.400 0.053 0.000 0.800 126 E CB 0.261 30.004 29.700 0.072 0.000 0.752 126 E HN 0.028 nan 8.360 nan 0.000 0.447 127 K N -1.388 119.073 120.400 0.101 0.000 2.570 127 K HA 0.218 4.538 4.320 -0.000 0.000 0.256 127 K C -2.180 174.551 176.600 0.219 0.000 0.939 127 K CA -0.684 55.655 56.287 0.087 0.000 0.833 127 K CB 0.802 33.297 32.500 -0.009 0.000 1.318 127 K HN 0.043 nan 8.250 nan 0.000 0.433 128 Y N 4.387 124.710 120.300 0.038 0.000 2.358 128 Y HA 0.371 4.921 4.550 -0.000 0.000 0.324 128 Y C -2.454 173.464 175.900 0.030 0.000 1.123 128 Y CA -1.323 56.820 58.100 0.071 0.000 1.067 128 Y CB 1.463 39.976 38.460 0.088 0.000 1.230 128 Y HN 0.514 nan 8.280 nan 0.000 0.429 129 P HA 0.292 nan 4.420 nan 0.000 0.279 129 P C -2.446 174.684 177.300 -0.283 0.000 1.239 129 P CA -1.297 61.343 63.100 -0.768 0.000 0.789 129 P CB 1.590 32.839 31.700 -0.752 0.000 0.933 130 P HA -0.140 nan 4.420 nan 0.000 0.222 130 P C 1.072 178.400 177.300 0.045 0.000 1.147 130 P CA 1.452 64.606 63.100 0.090 0.000 0.790 130 P CB -0.146 31.702 31.700 0.247 0.000 0.780 131 G N 0.931 109.633 108.800 -0.164 0.000 2.622 131 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.307 131 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.307 131 G C 0.396 175.450 174.900 0.257 0.000 1.226 131 G CA 0.459 45.413 45.100 -0.243 0.000 0.997 131 G HN 0.172 nan 8.290 nan 0.000 0.551 132 F N 0.763 120.741 119.950 0.045 0.000 2.797 132 F HA 0.357 4.884 4.527 -0.000 0.000 0.302 132 F C 1.112 176.634 175.800 -0.465 0.000 1.130 132 F CA -0.505 57.382 58.000 -0.188 0.000 1.387 132 F CB -0.773 38.043 39.000 -0.306 0.000 1.107 132 F HN 0.383 nan 8.300 nan 0.000 0.577 133 Y N -0.149 120.052 120.300 -0.164 0.000 2.526 133 Y HA 0.132 4.682 4.550 -0.000 0.000 0.330 133 Y C 0.506 176.240 175.900 -0.277 0.000 1.156 133 Y CA -0.630 57.327 58.100 -0.239 0.000 1.419 133 Y CB 0.643 39.020 38.460 -0.137 0.000 1.250 133 Y HN 0.038 nan 8.280 nan 0.000 0.540 134 C N 4.977 123.684 119.300 -0.988 0.000 2.969 134 C HA 0.372 4.832 4.460 -0.000 0.000 0.260 134 C C 1.347 175.827 174.990 -0.851 0.000 1.618 134 C CA -0.022 58.509 59.018 -0.812 0.000 1.774 134 C CB -0.553 26.761 27.740 -0.711 0.000 3.063 134 C HN 1.240 nan 8.230 nan 0.000 0.506 135 G N 1.914 109.799 108.800 -1.525 0.000 2.179 135 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 135 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 135 G C -0.253 174.419 174.900 -0.381 0.000 0.977 135 G CA 0.745 45.377 45.100 -0.780 0.000 0.641 135 G HN 0.564 nan 8.290 nan 0.000 0.533 136 D N -0.674 119.479 120.400 -0.411 0.000 2.517 136 D HA 0.567 5.207 4.640 -0.000 0.000 0.263 136 D C 1.160 177.415 176.300 -0.075 0.000 1.233 136 D CA 1.348 55.258 54.000 -0.149 0.000 0.849 136 D CB -0.012 40.699 40.800 -0.148 0.000 1.261 136 D HN 1.368 nan 8.370 nan 0.000 0.516 137 G N 3.054 111.907 108.800 0.089 0.000 2.596 137 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.295 137 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.295 137 G C 0.764 175.692 174.900 0.047 0.000 1.240 137 G CA 0.165 45.313 45.100 0.080 0.000 0.985 137 G HN 0.489 nan 8.290 nan 0.000 0.555 138 N N 2.138 120.816 118.700 -0.037 0.000 2.270 138 N HA 0.056 4.796 4.740 -0.000 0.000 0.198 138 N C 0.263 175.639 175.510 -0.224 0.000 1.117 138 N CA 0.054 53.038 53.050 -0.111 0.000 0.845 138 N CB -0.143 38.305 38.487 -0.064 0.000 0.980 138 N HN 0.432 nan 8.380 nan 0.000 0.486 139 N N 0.787 119.373 118.700 -0.191 0.000 2.520 139 N HA 0.081 4.821 4.740 -0.000 0.000 0.273 139 N C -0.266 175.028 175.510 -0.359 0.000 1.155 139 N CA 0.133 53.075 53.050 -0.180 0.000 0.967 139 N CB 0.517 38.938 38.487 -0.111 0.000 1.092 139 N HN -0.051 nan 8.380 nan 0.000 0.457 140 F N 0.737 120.499 119.950 -0.313 0.000 2.412 140 F HA 0.276 4.803 4.527 -0.000 0.000 0.348 140 F C 0.663 176.102 175.800 -0.601 0.000 1.102 140 F CA -0.300 57.364 58.000 -0.559 0.000 1.196 140 F CB 0.808 39.524 39.000 -0.472 0.000 1.144 140 F HN 0.009 nan 8.300 nan 0.000 0.541 141 V N 3.772 123.287 119.914 -0.664 0.000 2.760 141 V HA 0.444 4.564 4.120 -0.000 0.000 0.309 141 V C -1.001 174.742 176.094 -0.585 0.000 1.077 141 V CA -1.202 60.814 62.300 -0.472 0.000 0.910 141 V CB 1.778 33.438 31.823 -0.271 0.000 1.008 141 V HN 0.562 nan 8.190 nan 0.000 0.424 142 Y N 0.899 121.234 120.300 0.057 0.000 2.659 142 Y HA 0.735 5.285 4.550 -0.000 0.000 0.333 142 Y C 0.263 176.201 175.900 0.063 0.000 1.064 142 Y CA -1.081 57.073 58.100 0.090 0.000 1.141 142 Y CB 1.532 40.041 38.460 0.081 0.000 1.316 142 Y HN 0.571 nan 8.280 nan 0.000 0.509 143 E N -0.121 120.226 120.200 0.244 0.000 2.312 143 E HA 0.259 4.609 4.350 -0.000 0.000 0.267 143 E C -1.641 175.034 176.600 0.124 0.000 0.894 143 E CA -0.996 55.497 56.400 0.156 0.000 0.773 143 E CB 1.616 31.404 29.700 0.148 0.000 1.241 143 E HN 0.434 nan 8.360 nan 0.000 0.432 144 D N 1.832 122.289 120.400 0.094 0.000 2.619 144 D HA 0.139 4.779 4.640 -0.000 0.000 0.224 144 D C -0.862 175.485 176.300 0.078 0.000 1.133 144 D CA 0.173 54.215 54.000 0.070 0.000 1.017 144 D CB 0.400 41.232 40.800 0.054 0.000 1.077 144 D HN 0.010 nan 8.370 nan 0.000 0.503 145 V N 2.996 122.968 119.914 0.096 0.000 2.305 145 V HA 0.230 4.350 4.120 -0.000 0.000 0.275 145 V C -2.048 174.120 176.094 0.124 0.000 1.020 145 V CA -1.718 60.653 62.300 0.119 0.000 0.811 145 V CB 1.335 33.257 31.823 0.166 0.000 1.031 145 V HN 0.127 nan 8.190 nan 0.000 0.439 146 P HA 0.136 nan 4.420 nan 0.000 0.265 146 P C 1.325 178.701 177.300 0.128 0.000 1.187 146 P CA -0.181 62.969 63.100 0.084 0.000 0.766 146 P CB 0.678 32.416 31.700 0.064 0.000 0.820 147 I N 1.892 122.539 120.570 0.129 0.000 2.145 147 I HA -0.232 3.938 4.170 -0.000 0.000 0.244 147 I C 2.056 178.304 176.117 0.217 0.000 1.075 147 I CA 1.657 63.073 61.300 0.194 0.000 1.332 147 I CB -1.326 36.791 38.000 0.194 0.000 1.033 147 I HN 0.413 nan 8.210 nan 0.000 0.410 148 L N 0.959 122.284 121.223 0.170 0.000 2.127 148 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 148 L C 2.470 179.464 176.870 0.206 0.000 1.089 148 L CA 1.795 56.752 54.840 0.196 0.000 0.757 148 L CB -0.613 41.520 42.059 0.123 0.000 0.899 148 L HN 0.182 nan 8.230 nan 0.000 0.434 149 E N -0.826 119.465 120.200 0.152 0.000 2.077 149 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 149 E C 2.112 178.788 176.600 0.127 0.000 0.989 149 E CA 1.751 58.225 56.400 0.124 0.000 0.800 149 E CB -0.534 29.227 29.700 0.102 0.000 0.746 149 E HN 0.521 nan 8.360 nan 0.000 0.452 150 T N 0.952 115.593 114.554 0.145 0.000 2.777 150 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 150 T C 1.399 176.170 174.700 0.118 0.000 1.040 150 T CA 0.847 63.008 62.100 0.100 0.000 1.141 150 T CB -0.294 68.582 68.868 0.013 0.000 0.868 150 T HN 0.383 nan 8.240 nan 0.000 0.444 151 W N 2.364 123.677 121.300 0.022 0.000 2.358 151 W HA -0.104 4.556 4.660 -0.000 0.000 0.303 151 W C 1.909 178.446 176.519 0.030 0.000 1.208 151 W CA 1.167 58.525 57.345 0.022 0.000 1.274 151 W CB -0.170 29.308 29.460 0.030 0.000 1.138 151 W HN 0.259 nan 8.180 nan 0.000 0.515 152 K N 0.067 120.545 120.400 0.130 0.000 2.097 152 K HA -0.151 4.168 4.320 -0.000 0.000 0.206 152 K C 2.259 178.827 176.600 -0.052 0.000 1.049 152 K CA 1.535 57.845 56.287 0.038 0.000 0.933 152 K CB -0.494 32.060 32.500 0.089 0.000 0.717 152 K HN 0.070 nan 8.250 nan 0.000 0.442 153 A N 1.244 124.046 122.820 -0.030 0.000 1.972 153 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 153 A C 2.035 179.563 177.584 -0.093 0.000 1.169 153 A CA 1.203 53.218 52.037 -0.037 0.000 0.635 153 A CB -0.503 18.500 19.000 0.005 0.000 0.810 153 A HN 0.169 nan 8.150 nan 0.000 0.446 154 L N -0.962 120.148 121.223 -0.189 0.000 2.156 154 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 154 L C 2.426 179.105 176.870 -0.317 0.000 1.095 154 L CA 1.183 55.863 54.840 -0.266 0.000 0.770 154 L CB -0.468 41.305 42.059 -0.476 0.000 0.914 154 L HN 0.465 nan 8.230 nan 0.000 0.439 155 E N 0.096 120.084 120.200 -0.352 0.000 2.152 155 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 155 E C 2.083 178.608 176.600 -0.125 0.000 0.983 155 E CA 0.731 56.989 56.400 -0.237 0.000 0.818 155 E CB 0.113 29.716 29.700 -0.161 0.000 0.758 155 E HN 0.384 nan 8.360 nan 0.000 0.467 156 K N 0.569 120.908 120.400 -0.101 0.000 2.057 156 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 156 K C 2.092 178.650 176.600 -0.071 0.000 1.050 156 K CA 0.847 57.095 56.287 -0.065 0.000 0.935 156 K CB -0.060 32.412 32.500 -0.047 0.000 0.715 156 K HN 0.135 nan 8.250 nan 0.000 0.439 157 L N 0.670 121.841 121.223 -0.088 0.000 2.291 157 L HA -0.117 4.223 4.340 -0.000 0.000 0.214 157 L C 2.118 178.931 176.870 -0.095 0.000 1.120 157 L CA 0.379 55.164 54.840 -0.092 0.000 0.799 157 L CB -0.151 41.845 42.059 -0.104 0.000 0.925 157 L HN -0.041 nan 8.230 nan 0.000 0.446 158 V N -0.234 119.620 119.914 -0.100 0.000 2.591 158 V HA -0.138 3.982 4.120 -0.000 0.000 0.249 158 V C 2.604 178.659 176.094 -0.064 0.000 1.053 158 V CA 1.517 63.766 62.300 -0.085 0.000 1.068 158 V CB -0.352 31.421 31.823 -0.082 0.000 0.689 158 V HN 0.451 nan 8.190 nan 0.000 0.462 159 A N 0.083 122.868 122.820 -0.058 0.000 1.968 159 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 159 A C 2.243 179.801 177.584 -0.043 0.000 1.169 159 A CA 1.376 53.388 52.037 -0.043 0.000 0.638 159 A CB -0.479 18.500 19.000 -0.035 0.000 0.812 159 A HN 0.532 nan 8.150 nan 0.000 0.446 160 A N -1.440 121.350 122.820 -0.050 0.000 2.239 160 A HA 0.367 4.687 4.320 -0.000 0.000 0.209 160 A C 1.889 179.445 177.584 -0.048 0.000 1.171 160 A CA 1.284 53.292 52.037 -0.047 0.000 0.768 160 A CB -1.123 17.846 19.000 -0.052 0.000 0.790 160 A HN 1.827 nan 8.150 nan 0.000 0.478 161 G N -0.638 108.128 108.800 -0.057 0.000 2.184 161 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.264 161 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.264 161 G C 0.914 175.781 174.900 -0.055 0.000 0.975 161 G CA 0.933 45.994 45.100 -0.065 0.000 0.642 161 G HN 0.573 nan 8.290 nan 0.000 0.536 162 K N -0.601 119.765 120.400 -0.057 0.000 2.418 162 K HA 0.380 4.700 4.320 -0.000 0.000 0.195 162 K C 0.750 177.312 176.600 -0.062 0.000 1.035 162 K CA 0.636 56.894 56.287 -0.049 0.000 1.003 162 K CB 0.320 32.758 32.500 -0.103 0.000 0.793 162 K HN 0.537 nan 8.250 nan 0.000 0.494 163 I N 0.354 120.868 120.570 -0.094 0.000 2.619 163 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 163 I C 0.438 176.478 176.117 -0.128 0.000 1.100 163 I CA -0.787 60.455 61.300 -0.097 0.000 1.043 163 I CB 2.175 40.118 38.000 -0.094 0.000 1.239 163 I HN -0.272 nan 8.210 nan 0.000 0.420 164 K N 2.159 122.452 120.400 -0.179 0.000 2.029 164 K HA 0.238 4.558 4.320 -0.000 0.000 0.205 164 K C 0.235 176.809 176.600 -0.043 0.000 1.042 164 K CA 0.908 57.029 56.287 -0.278 0.000 0.949 164 K CB 0.105 32.243 32.500 -0.603 0.000 0.740 164 K HN 0.580 nan 8.250 nan 0.000 0.442 165 S N 0.679 116.381 115.700 0.003 0.000 2.536 165 S HA 0.566 5.036 4.470 -0.000 0.000 0.287 165 S C -0.036 174.627 174.600 0.105 0.000 1.101 165 S CA -0.938 57.335 58.200 0.122 0.000 0.950 165 S CB 1.984 65.318 63.200 0.223 0.000 1.056 165 S HN 0.247 nan 8.310 nan 0.000 0.481 166 I N -0.708 119.924 120.570 0.103 0.000 2.797 166 I HA 1.055 5.225 4.170 -0.000 0.000 0.307 166 I C 0.275 176.555 176.117 0.272 0.000 1.033 166 I CA -0.881 60.466 61.300 0.078 0.000 1.071 166 I CB 1.882 39.739 38.000 -0.239 0.000 1.255 166 I HN 0.769 nan 8.210 nan 0.000 0.445 167 G N 2.045 111.025 108.800 0.301 0.000 2.561 167 G HA2 0.609 4.569 3.960 -0.000 0.000 0.310 167 G HA3 0.609 4.569 3.960 -0.000 0.000 0.310 167 G C -1.284 173.702 174.900 0.143 0.000 1.292 167 G CA -0.085 45.193 45.100 0.295 0.000 0.811 167 G HN 1.136 nan 8.290 nan 0.000 0.482 168 V N -2.856 116.989 119.914 -0.114 0.000 3.130 168 V HA 0.955 5.075 4.120 -0.000 0.000 0.310 168 V C -0.400 175.587 176.094 -0.179 0.000 1.158 168 V CA -0.422 61.667 62.300 -0.351 0.000 1.029 168 V CB 1.412 32.510 31.823 -1.208 0.000 1.057 168 V HN 1.590 nan 8.190 nan 0.000 0.436 169 S N 1.639 117.298 115.700 -0.069 0.000 2.540 169 S HA 0.572 5.042 4.470 -0.000 0.000 0.275 169 S C -0.186 174.553 174.600 0.232 0.000 1.123 169 S CA -0.061 58.193 58.200 0.090 0.000 0.907 169 S CB 1.035 64.267 63.200 0.053 0.000 1.081 169 S HN 1.391 nan 8.310 nan 0.000 0.476 170 N N 1.150 120.023 118.700 0.288 0.000 2.754 170 N HA -0.151 4.589 4.740 -0.000 0.000 0.248 170 N C -1.379 174.378 175.510 0.412 0.000 1.093 170 N CA 0.789 54.080 53.050 0.402 0.000 0.699 170 N CB -1.576 37.022 38.487 0.186 0.000 1.016 170 N HN 0.476 nan 8.380 nan 0.000 0.552 171 F N 1.762 121.780 119.950 0.113 0.000 2.385 171 F HA 0.404 4.931 4.527 -0.000 0.000 0.360 171 F C -1.430 174.420 175.800 0.083 0.000 1.122 171 F CA -2.144 55.884 58.000 0.046 0.000 1.090 171 F CB 0.978 39.987 39.000 0.014 0.000 1.150 171 F HN -0.081 nan 8.300 nan 0.000 0.472 172 P HA 0.155 nan 4.420 nan 0.000 0.274 172 P C 0.762 178.097 177.300 0.058 0.000 1.256 172 P CA -0.158 63.014 63.100 0.119 0.000 0.795 172 P CB 0.967 32.694 31.700 0.045 0.000 1.038 173 G N 0.881 109.685 108.800 0.007 0.000 2.513 173 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.219 173 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.219 173 G C 1.633 176.424 174.900 -0.181 0.000 1.160 173 G CA 1.239 46.273 45.100 -0.109 0.000 0.767 173 G HN 0.615 nan 8.290 nan 0.000 0.571 174 A N 0.075 122.805 122.820 -0.150 0.000 1.908 174 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 174 A C 2.371 179.892 177.584 -0.106 0.000 1.181 174 A CA 1.749 53.696 52.037 -0.149 0.000 0.627 174 A CB -0.408 18.515 19.000 -0.128 0.000 0.818 174 A HN 0.402 nan 8.150 nan 0.000 0.445 175 L N -1.085 120.085 121.223 -0.089 0.000 2.109 175 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 175 L C 2.224 179.150 176.870 0.094 0.000 1.086 175 L CA 1.596 56.391 54.840 -0.075 0.000 0.760 175 L CB -0.606 41.288 42.059 -0.274 0.000 0.910 175 L HN 0.381 nan 8.230 nan 0.000 0.437 176 L N -1.100 120.226 121.223 0.172 0.000 2.027 176 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 176 L C 2.331 179.275 176.870 0.124 0.000 1.074 176 L CA 1.696 56.663 54.840 0.211 0.000 0.745 176 L CB -0.888 41.320 42.059 0.249 0.000 0.898 176 L HN 0.324 nan 8.230 nan 0.000 0.433 177 L N -0.147 121.112 121.223 0.061 0.000 2.013 177 L HA -0.271 4.068 4.340 -0.000 0.000 0.212 177 L C 2.166 179.048 176.870 0.020 0.000 1.073 177 L CA 2.423 57.288 54.840 0.042 0.000 0.753 177 L CB -1.057 40.911 42.059 -0.153 0.000 0.890 177 L HN 0.473 nan 8.230 nan 0.000 0.432 178 D N -1.261 119.131 120.400 -0.013 0.000 2.144 178 D HA -0.212 4.428 4.640 -0.000 0.000 0.199 178 D C 2.105 178.392 176.300 -0.022 0.000 0.984 178 D CA 1.245 55.234 54.000 -0.018 0.000 0.834 178 D CB -0.130 40.653 40.800 -0.029 0.000 0.955 178 D HN 0.327 nan 8.370 nan 0.000 0.465 179 L N 0.177 121.382 121.223 -0.029 0.000 2.093 179 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 179 L C 2.000 178.765 176.870 -0.174 0.000 1.085 179 L CA 1.403 56.168 54.840 -0.124 0.000 0.755 179 L CB -0.569 41.371 42.059 -0.198 0.000 0.904 179 L HN 0.157 nan 8.230 nan 0.000 0.435 180 L N -0.770 120.389 121.223 -0.107 0.000 2.127 180 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 180 L C 2.730 179.574 176.870 -0.042 0.000 1.089 180 L CA 1.263 56.054 54.840 -0.081 0.000 0.757 180 L CB -0.454 41.602 42.059 -0.005 0.000 0.899 180 L HN 0.271 nan 8.230 nan 0.000 0.434 181 R N -0.495 119.991 120.500 -0.022 0.000 2.120 181 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 181 R C 1.958 178.257 176.300 -0.002 0.000 1.123 181 R CA 1.224 57.320 56.100 -0.006 0.000 0.975 181 R CB -0.360 29.938 30.300 -0.002 0.000 0.866 181 R HN 0.387 nan 8.270 nan 0.000 0.446 182 G N -0.620 108.173 108.800 -0.011 0.000 3.192 182 G HA2 0.311 4.271 3.960 -0.000 0.000 0.239 182 G HA3 0.311 4.271 3.960 -0.000 0.000 0.239 182 G C -0.116 174.812 174.900 0.047 0.000 1.084 182 G CA -0.057 45.054 45.100 0.019 0.000 0.784 182 G HN 0.280 nan 8.290 nan 0.000 0.540 183 A N -0.070 122.752 122.820 0.003 0.000 2.331 183 A HA 0.604 4.924 4.320 -0.000 0.000 0.283 183 A C 1.262 178.934 177.584 0.146 0.000 1.142 183 A CA 0.057 52.149 52.037 0.092 0.000 0.812 183 A CB 0.833 19.762 19.000 -0.120 0.000 1.074 183 A HN 0.057 nan 8.150 nan 0.000 0.497 184 T N 2.140 116.825 114.554 0.218 0.000 2.939 184 T HA 0.148 4.497 4.350 -0.000 0.000 0.254 184 T C 0.646 175.440 174.700 0.156 0.000 1.041 184 T CA 0.971 63.157 62.100 0.142 0.000 1.142 184 T CB -0.193 68.742 68.868 0.112 0.000 0.874 184 T HN 0.538 nan 8.240 nan 0.000 0.452 185 I N 2.539 123.260 120.570 0.253 0.000 2.312 185 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 185 I C -0.188 176.155 176.117 0.377 0.000 1.008 185 I CA -1.000 60.447 61.300 0.244 0.000 1.226 185 I CB 1.075 39.188 38.000 0.188 0.000 1.371 185 I HN -0.149 nan 8.210 nan 0.000 0.468 186 K N 7.720 128.243 120.400 0.205 0.000 2.326 186 K HA 0.263 4.583 4.320 -0.000 0.000 0.275 186 K C -2.253 174.463 176.600 0.193 0.000 1.018 186 K CA -1.858 54.498 56.287 0.114 0.000 0.962 186 K CB 0.184 32.697 32.500 0.021 0.000 0.953 186 K HN 0.297 nan 8.250 nan 0.000 0.475 187 P HA 0.007 nan 4.420 nan 0.000 0.266 187 P C -0.061 177.287 177.300 0.080 0.000 1.215 187 P CA 0.128 63.293 63.100 0.109 0.000 0.763 187 P CB 0.667 32.167 31.700 -0.333 0.000 0.806 188 A N 4.190 127.101 122.820 0.153 0.000 2.066 188 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 188 A C 0.925 178.542 177.584 0.055 0.000 1.157 188 A CA 1.133 53.227 52.037 0.095 0.000 0.670 188 A CB -0.009 19.074 19.000 0.138 0.000 0.804 188 A HN 0.446 nan 8.150 nan 0.000 0.453 189 V N -0.948 119.001 119.914 0.059 0.000 3.007 189 V HA 0.560 4.680 4.120 -0.000 0.000 0.311 189 V C -1.250 174.834 176.094 -0.017 0.000 1.120 189 V CA -0.711 61.604 62.300 0.026 0.000 0.980 189 V CB 1.912 33.776 31.823 0.069 0.000 1.033 189 V HN 0.314 nan 8.190 nan 0.000 0.429 190 L N 2.877 124.084 121.223 -0.027 0.000 2.406 190 L HA 0.573 4.913 4.340 -0.000 0.000 0.270 190 L C -0.595 176.277 176.870 0.003 0.000 0.982 190 L CA 0.062 54.882 54.840 -0.032 0.000 0.843 190 L CB 1.625 43.665 42.059 -0.031 0.000 1.225 190 L HN 0.824 nan 8.230 nan 0.000 0.412 191 Q N 4.783 124.611 119.800 0.046 0.000 2.372 191 Q HA 0.701 5.040 4.340 -0.000 0.000 0.259 191 Q C -1.290 174.813 176.000 0.173 0.000 0.993 191 Q CA -0.636 55.234 55.803 0.113 0.000 0.854 191 Q CB 1.403 30.236 28.738 0.158 0.000 1.231 191 Q HN 0.694 nan 8.270 nan 0.000 0.462 192 V N 0.234 120.171 119.914 0.039 0.000 3.126 192 V HA 0.547 4.667 4.120 -0.000 0.000 0.314 192 V C -0.431 175.208 176.094 -0.757 0.000 1.138 192 V CA -1.210 61.004 62.300 -0.142 0.000 1.034 192 V CB 1.753 33.533 31.823 -0.073 0.000 1.075 192 V HN 0.829 nan 8.190 nan 0.000 0.442 193 E N 0.918 120.433 120.200 -1.142 0.000 2.366 193 E HA 0.233 4.583 4.350 -0.000 0.000 0.266 193 E C -1.229 175.134 176.600 -0.394 0.000 1.015 193 E CA 0.165 55.908 56.400 -1.094 0.000 0.906 193 E CB 0.215 29.646 29.700 -0.449 0.000 0.979 193 E HN 0.907 nan 8.360 nan 0.000 0.443 194 H N 3.739 122.615 119.070 -0.324 0.000 3.096 194 H HA 0.309 4.865 4.556 -0.000 0.000 0.335 194 H C -1.579 173.759 175.328 0.017 0.000 0.990 194 H CA -0.491 55.433 56.048 -0.205 0.000 1.393 194 H CB 0.522 30.209 29.762 -0.124 0.000 1.742 194 H HN 0.678 nan 8.280 nan 0.000 0.501 195 H N 1.571 120.525 119.070 -0.193 0.000 3.003 195 H HA 0.286 4.842 4.556 -0.000 0.000 0.327 195 H C -2.724 172.409 175.328 -0.325 0.000 1.353 195 H CA -2.367 53.591 56.048 -0.149 0.000 1.142 195 H CB 0.329 30.063 29.762 -0.047 0.000 1.864 195 H HN 0.246 nan 8.280 nan 0.000 0.529 196 P HA -0.192 nan 4.420 nan 0.000 0.219 196 P C 0.329 177.471 177.300 -0.263 0.000 1.144 196 P CA 1.632 64.296 63.100 -0.727 0.000 0.806 196 P CB -0.057 31.039 31.700 -1.006 0.000 0.771 197 Y N -2.384 118.017 120.300 0.168 0.000 2.510 197 Y HA 0.252 4.802 4.550 -0.000 0.000 0.273 197 Y C 1.248 177.173 175.900 0.042 0.000 1.119 197 Y CA -0.121 58.057 58.100 0.131 0.000 1.286 197 Y CB -0.162 38.407 38.460 0.182 0.000 1.061 197 Y HN -0.140 nan 8.280 nan 0.000 0.542 198 L N 0.396 121.619 121.223 -0.000 0.000 2.502 198 L HA 0.339 4.679 4.340 -0.000 0.000 0.249 198 L C 0.485 177.210 176.870 -0.241 0.000 1.446 198 L CA 0.120 54.825 54.840 -0.226 0.000 0.887 198 L CB 0.521 42.323 42.059 -0.429 0.000 1.126 198 L HN 0.014 nan 8.230 nan 0.000 0.509 199 Q N 0.437 120.201 119.800 -0.061 0.000 2.187 199 Q HA 0.012 4.352 4.340 -0.000 0.000 0.199 199 Q C -0.038 176.023 176.000 0.103 0.000 0.957 199 Q CA 0.576 56.416 55.803 0.062 0.000 0.857 199 Q CB 0.049 28.900 28.738 0.189 0.000 0.929 199 Q HN 0.646 nan 8.270 nan 0.000 0.453 200 Q N 0.348 120.165 119.800 0.028 0.000 2.406 200 Q HA -0.194 4.146 4.340 -0.000 0.000 0.339 200 Q C -1.777 174.242 176.000 0.032 0.000 1.337 200 Q CA 0.194 56.006 55.803 0.016 0.000 0.985 200 Q CB -0.970 27.766 28.738 -0.004 0.000 1.216 200 Q HN 0.416 nan 8.270 nan 0.000 0.415 201 P HA -0.247 nan 4.420 nan 0.000 0.216 201 P C 0.715 178.011 177.300 -0.007 0.000 1.154 201 P CA 1.477 64.582 63.100 0.008 0.000 0.865 201 P CB 0.107 31.814 31.700 0.011 0.000 0.789 202 K N -0.921 119.481 120.400 0.004 0.000 2.097 202 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 202 K C 2.283 178.911 176.600 0.047 0.000 1.050 202 K CA 0.712 57.009 56.287 0.016 0.000 0.938 202 K CB -0.667 31.835 32.500 0.004 0.000 0.718 202 K HN 0.062 nan 8.250 nan 0.000 0.442 203 L N 1.527 122.772 121.223 0.036 0.000 1.994 203 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 203 L C 1.943 178.855 176.870 0.070 0.000 1.071 203 L CA 1.539 56.423 54.840 0.072 0.000 0.745 203 L CB -0.334 41.753 42.059 0.046 0.000 0.892 203 L HN 0.075 nan 8.230 nan 0.000 0.431 204 I N 0.052 120.613 120.570 -0.015 0.000 2.151 204 I HA -0.326 3.843 4.170 -0.000 0.000 0.243 204 I C 2.584 178.657 176.117 -0.074 0.000 1.080 204 I CA 1.793 63.038 61.300 -0.092 0.000 1.339 204 I CB -1.328 36.572 38.000 -0.168 0.000 1.039 204 I HN 0.542 nan 8.210 nan 0.000 0.409 205 E N 0.362 120.538 120.200 -0.040 0.000 2.085 205 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 205 E C 2.335 178.931 176.600 -0.007 0.000 0.994 205 E CA 1.329 57.706 56.400 -0.038 0.000 0.801 205 E CB -0.229 29.461 29.700 -0.016 0.000 0.743 205 E HN 0.345 nan 8.360 nan 0.000 0.453 206 F N 1.213 121.123 119.950 -0.066 0.000 2.051 206 F HA -0.146 4.380 4.527 -0.000 0.000 0.296 206 F C 2.104 177.867 175.800 -0.061 0.000 1.122 206 F CA 1.814 59.780 58.000 -0.056 0.000 1.201 206 F CB -0.825 38.148 39.000 -0.045 0.000 0.978 206 F HN 0.074 nan 8.300 nan 0.000 0.472 207 A N 0.408 123.119 122.820 -0.181 0.000 1.873 207 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 207 A C 2.152 179.548 177.584 -0.314 0.000 1.193 207 A CA 2.191 54.050 52.037 -0.297 0.000 0.629 207 A CB -1.172 17.780 19.000 -0.080 0.000 0.826 207 A HN 0.662 nan 8.150 nan 0.000 0.447 208 Q N -0.762 118.908 119.800 -0.217 0.000 2.045 208 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 208 Q C 2.226 178.101 176.000 -0.209 0.000 0.991 208 Q CA 1.799 57.488 55.803 -0.190 0.000 0.851 208 Q CB -0.309 28.332 28.738 -0.161 0.000 0.911 208 Q HN 0.713 nan 8.270 nan 0.000 0.418 209 K N 0.413 120.678 120.400 -0.225 0.000 2.281 209 K HA -0.118 4.202 4.320 -0.000 0.000 0.203 209 K C 1.547 177.988 176.600 -0.264 0.000 1.046 209 K CA 1.062 57.226 56.287 -0.206 0.000 0.938 209 K CB -0.015 32.385 32.500 -0.166 0.000 0.737 209 K HN 0.182 nan 8.250 nan 0.000 0.458 210 A N -0.066 122.511 122.820 -0.405 0.000 2.251 210 A HA 0.213 4.533 4.320 -0.000 0.000 0.209 210 A C 1.239 178.677 177.584 -0.243 0.000 1.187 210 A CA 0.753 52.551 52.037 -0.398 0.000 0.823 210 A CB -0.125 18.472 19.000 -0.672 0.000 0.846 210 A HN 0.491 nan 8.150 nan 0.000 0.486 211 G N -1.393 107.286 108.800 -0.202 0.000 2.141 211 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.242 211 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.242 211 G C 0.118 174.947 174.900 -0.119 0.000 0.982 211 G CA 0.144 45.163 45.100 -0.136 0.000 0.662 211 G HN 0.791 nan 8.290 nan 0.000 0.527 212 V N 1.207 121.031 119.914 -0.149 0.000 2.509 212 V HA 0.588 4.708 4.120 -0.000 0.000 0.284 212 V C 0.923 176.957 176.094 -0.100 0.000 1.047 212 V CA 0.044 62.277 62.300 -0.111 0.000 0.952 212 V CB 1.596 33.342 31.823 -0.127 0.000 0.988 212 V HN 0.281 nan 8.190 nan 0.000 0.469 213 T N 5.852 120.367 114.554 -0.066 0.000 2.845 213 T HA 0.481 4.831 4.350 -0.000 0.000 0.288 213 T C -0.095 174.561 174.700 -0.073 0.000 0.980 213 T CA -0.234 61.825 62.100 -0.070 0.000 1.071 213 T CB 0.605 69.446 68.868 -0.045 0.000 0.941 213 T HN 0.293 nan 8.240 nan 0.000 0.487 214 I N 3.266 123.774 120.570 -0.104 0.000 2.331 214 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 214 I C 0.618 176.676 176.117 -0.097 0.000 0.998 214 I CA -0.311 60.916 61.300 -0.122 0.000 1.267 214 I CB 0.924 38.799 38.000 -0.209 0.000 1.386 214 I HN 0.543 nan 8.210 nan 0.000 0.476 215 T N 5.715 120.238 114.554 -0.052 0.000 2.809 215 T HA 0.629 4.979 4.350 -0.000 0.000 0.284 215 T C 0.059 174.770 174.700 0.019 0.000 0.992 215 T CA -0.449 61.650 62.100 -0.001 0.000 0.957 215 T CB 1.626 70.526 68.868 0.053 0.000 0.942 215 T HN 0.715 nan 8.240 nan 0.000 0.439 216 A N 3.502 126.338 122.820 0.028 0.000 2.306 216 A HA 0.786 5.106 4.320 -0.000 0.000 0.314 216 A C -0.853 176.843 177.584 0.186 0.000 1.164 216 A CA -0.619 51.459 52.037 0.069 0.000 0.822 216 A CB 0.259 19.333 19.000 0.125 0.000 1.130 216 A HN 0.850 nan 8.150 nan 0.000 0.496 217 Y N -0.733 119.663 120.300 0.160 0.000 2.562 217 Y HA 0.629 5.179 4.550 -0.000 0.000 0.343 217 Y C 0.376 176.426 175.900 0.251 0.000 1.025 217 Y CA -1.367 56.838 58.100 0.174 0.000 1.082 217 Y CB 0.894 39.463 38.460 0.183 0.000 1.264 217 Y HN 0.830 nan 8.280 nan 0.000 0.478 218 S N 0.510 116.543 115.700 0.555 0.000 3.631 218 S HA -0.259 4.211 4.470 -0.000 0.000 0.366 218 S C 1.072 175.870 174.600 0.329 0.000 0.993 218 S CA 0.903 59.417 58.200 0.523 0.000 1.167 218 S CB -1.770 61.985 63.200 0.924 0.000 0.909 218 S HN 0.773 nan 8.310 nan 0.000 0.478 219 S N -0.460 115.265 115.700 0.042 0.000 2.440 219 S HA -0.042 4.428 4.470 -0.000 0.000 0.238 219 S C 0.912 175.415 174.600 -0.160 0.000 1.010 219 S CA 1.089 59.219 58.200 -0.117 0.000 0.972 219 S CB -0.229 62.737 63.200 -0.389 0.000 0.774 219 S HN 0.747 nan 8.310 nan 0.000 0.501 220 F N 1.228 121.260 119.950 0.136 0.000 2.660 220 F HA 0.308 4.835 4.527 -0.000 0.000 0.297 220 F C 1.765 177.526 175.800 -0.065 0.000 1.132 220 F CA -0.293 57.704 58.000 -0.004 0.000 1.372 220 F CB -0.322 38.788 39.000 0.183 0.000 1.003 220 F HN 0.294 nan 8.300 nan 0.000 0.524 221 G N 2.612 111.444 108.800 0.053 0.000 2.611 221 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.301 221 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.301 221 G C -1.178 173.588 174.900 -0.223 0.000 1.233 221 G CA 0.148 45.075 45.100 -0.288 0.000 0.993 221 G HN 0.249 nan 8.290 nan 0.000 0.553 222 P HA -0.138 nan 4.420 nan 0.000 0.223 222 P C 1.502 178.704 177.300 -0.164 0.000 1.144 222 P CA 2.086 64.644 63.100 -0.904 0.000 0.783 222 P CB -0.069 31.295 31.700 -0.560 0.000 0.771 223 Q N 1.128 120.964 119.800 0.061 0.000 1.998 223 Q HA -0.186 4.154 4.340 -0.000 0.000 0.209 223 Q C 2.554 178.613 176.000 0.099 0.000 1.002 223 Q CA 2.641 58.542 55.803 0.164 0.000 0.858 223 Q CB -1.449 27.503 28.738 0.357 0.000 0.932 223 Q HN 0.132 nan 8.270 nan 0.000 0.416 224 S N -1.274 114.489 115.700 0.105 0.000 2.392 224 S HA -0.169 4.301 4.470 -0.000 0.000 0.232 224 S C 1.512 175.937 174.600 -0.292 0.000 1.041 224 S CA 1.589 59.715 58.200 -0.123 0.000 1.026 224 S CB -0.425 62.663 63.200 -0.186 0.000 0.845 224 S HN 0.480 nan 8.310 nan 0.000 0.465 225 F N 1.054 121.011 119.950 0.012 0.000 2.569 225 F HA 0.145 4.672 4.527 -0.000 0.000 0.295 225 F C 2.275 178.074 175.800 -0.001 0.000 1.115 225 F CA 0.614 58.636 58.000 0.037 0.000 1.450 225 F CB -0.686 38.361 39.000 0.079 0.000 1.107 225 F HN 0.190 nan 8.300 nan 0.000 0.563 226 V N -1.575 118.408 119.914 0.114 0.000 2.515 226 V HA -0.157 3.962 4.120 -0.000 0.000 0.250 226 V C 1.496 177.605 176.094 0.026 0.000 1.058 226 V CA 1.601 63.942 62.300 0.068 0.000 1.064 226 V CB -0.901 30.948 31.823 0.044 0.000 0.675 226 V HN 0.295 nan 8.190 nan 0.000 0.461 227 E N 0.127 120.315 120.200 -0.019 0.000 2.516 227 E HA 0.126 4.476 4.350 -0.000 0.000 0.199 227 E C 1.405 177.952 176.600 -0.089 0.000 1.069 227 E CA 0.698 57.056 56.400 -0.070 0.000 0.876 227 E CB -0.147 29.482 29.700 -0.119 0.000 0.843 227 E HN 0.644 nan 8.360 nan 0.000 0.530 228 M N -0.194 119.384 119.600 -0.038 0.000 2.504 228 M HA 0.145 4.625 4.480 -0.000 0.000 0.370 228 M C 0.108 176.441 176.300 0.055 0.000 1.110 228 M CA -0.254 55.033 55.300 -0.020 0.000 0.938 228 M CB 0.441 33.033 32.600 -0.013 0.000 1.460 228 M HN -0.092 nan 8.290 nan 0.000 0.535 229 N N 2.808 121.541 118.700 0.054 0.000 2.727 229 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 229 N C -0.278 175.300 175.510 0.115 0.000 1.048 229 N CA 0.597 53.689 53.050 0.070 0.000 0.714 229 N CB -0.460 38.056 38.487 0.049 0.000 0.959 229 N HN 0.612 nan 8.380 nan 0.000 0.544 230 Q N -0.558 119.339 119.800 0.161 0.000 2.294 230 Q HA 0.356 4.696 4.340 -0.000 0.000 0.257 230 Q C 1.598 177.703 176.000 0.176 0.000 0.955 230 Q CA 0.232 56.161 55.803 0.211 0.000 0.936 230 Q CB 0.510 29.441 28.738 0.322 0.000 1.188 230 Q HN 0.433 nan 8.270 nan 0.000 0.420 231 G N 4.443 113.336 108.800 0.155 0.000 2.599 231 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.219 231 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.219 231 G C 1.228 176.213 174.900 0.142 0.000 1.193 231 G CA 1.083 46.261 45.100 0.129 0.000 0.778 231 G HN 0.815 nan 8.290 nan 0.000 0.589 232 R N 0.629 121.234 120.500 0.175 0.000 2.096 232 R HA -0.107 4.233 4.340 -0.000 0.000 0.240 232 R C 2.912 179.372 176.300 0.267 0.000 1.139 232 R CA 1.847 58.067 56.100 0.201 0.000 0.952 232 R CB -0.503 29.929 30.300 0.219 0.000 0.854 232 R HN 0.336 nan 8.270 nan 0.000 0.436 233 A N 0.990 123.971 122.820 0.268 0.000 1.877 233 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 233 A C 2.247 179.887 177.584 0.093 0.000 1.186 233 A CA 1.436 53.543 52.037 0.117 0.000 0.620 233 A CB -0.642 18.385 19.000 0.045 0.000 0.822 233 A HN 0.366 nan 8.150 nan 0.000 0.443 234 L N -0.022 121.262 121.223 0.101 0.000 2.079 234 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 234 L C 1.427 178.341 176.870 0.073 0.000 1.081 234 L CA 1.134 56.020 54.840 0.077 0.000 0.752 234 L CB -0.585 41.518 42.059 0.073 0.000 0.896 234 L HN 0.372 nan 8.230 nan 0.000 0.433 235 N N -0.908 117.842 118.700 0.084 0.000 2.449 235 N HA -0.001 4.739 4.740 -0.000 0.000 0.191 235 N C 0.067 175.611 175.510 0.056 0.000 1.161 235 N CA 0.385 53.473 53.050 0.064 0.000 0.863 235 N CB 0.079 38.601 38.487 0.059 0.000 0.980 235 N HN 0.210 nan 8.380 nan 0.000 0.458 236 T N 2.076 116.676 114.554 0.077 0.000 2.794 236 T HA 0.338 4.688 4.350 -0.000 0.000 0.280 236 T C -2.529 172.214 174.700 0.071 0.000 0.987 236 T CA -1.323 60.810 62.100 0.055 0.000 0.993 236 T CB 2.099 71.044 68.868 0.129 0.000 0.939 236 T HN -0.131 nan 8.240 nan 0.000 0.449 237 P HA 0.111 nan 4.420 nan 0.000 0.264 237 P C 0.400 177.837 177.300 0.229 0.000 1.229 237 P CA -0.195 62.982 63.100 0.128 0.000 0.780 237 P CB -0.222 31.555 31.700 0.129 0.000 0.808 238 T N 0.952 115.622 114.554 0.193 0.000 2.934 238 T HA -0.040 4.310 4.350 -0.000 0.000 0.321 238 T C 1.333 176.138 174.700 0.175 0.000 1.080 238 T CA -0.158 62.072 62.100 0.217 0.000 1.132 238 T CB 0.287 69.313 68.868 0.264 0.000 1.039 238 T HN 0.187 nan 8.240 nan 0.000 0.543 239 L N 0.911 122.114 121.223 -0.033 0.000 2.291 239 L HA 0.101 4.441 4.340 -0.000 0.000 0.214 239 L C 2.051 178.741 176.870 -0.300 0.000 1.120 239 L CA 0.851 55.528 54.840 -0.272 0.000 0.799 239 L CB -0.440 41.283 42.059 -0.560 0.000 0.925 239 L HN 0.684 nan 8.230 nan 0.000 0.446 240 F N -0.408 119.546 119.950 0.006 0.000 2.604 240 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 240 F C 2.131 177.935 175.800 0.006 0.000 1.131 240 F CA 0.701 58.687 58.000 -0.023 0.000 1.457 240 F CB -0.327 38.633 39.000 -0.066 0.000 1.095 240 F HN 0.007 nan 8.300 nan 0.000 0.574 241 A N -2.237 120.688 122.820 0.173 0.000 2.431 241 A HA 0.065 4.385 4.320 -0.000 0.000 0.239 241 A C 0.529 178.158 177.584 0.075 0.000 1.230 241 A CA -0.204 51.900 52.037 0.111 0.000 0.928 241 A CB -0.585 18.473 19.000 0.098 0.000 1.006 241 A HN 0.247 nan 8.150 nan 0.000 0.520 242 H N 1.382 120.460 119.070 0.012 0.000 2.975 242 H HA 0.023 4.579 4.556 -0.000 0.000 0.303 242 H C 0.115 175.437 175.328 -0.011 0.000 1.023 242 H CA 0.241 56.290 56.048 0.002 0.000 1.473 242 H CB 0.700 30.442 29.762 -0.035 0.000 1.498 242 H HN 0.290 nan 8.280 nan 0.000 0.549 243 D N 3.225 123.512 120.400 -0.188 0.000 2.149 243 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 243 D C 1.587 177.930 176.300 0.072 0.000 1.001 243 D CA 1.845 55.810 54.000 -0.058 0.000 0.849 243 D CB -0.052 40.678 40.800 -0.116 0.000 0.939 243 D HN 0.609 nan 8.370 nan 0.000 0.449 244 T N 1.329 116.033 114.554 0.250 0.000 2.788 244 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 244 T C 2.013 176.771 174.700 0.096 0.000 1.044 244 T CA 0.498 62.713 62.100 0.191 0.000 1.139 244 T CB 0.079 69.072 68.868 0.209 0.000 0.867 244 T HN 0.104 nan 8.240 nan 0.000 0.454 245 I N 1.203 121.832 120.570 0.098 0.000 2.233 245 I HA -0.031 4.139 4.170 -0.000 0.000 0.243 245 I C 2.297 178.434 176.117 0.033 0.000 1.093 245 I CA 1.275 62.576 61.300 0.001 0.000 1.380 245 I CB -0.973 36.982 38.000 -0.075 0.000 1.067 245 I HN 0.264 nan 8.210 nan 0.000 0.413 246 K N 1.211 121.638 120.400 0.046 0.000 2.009 246 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 246 K C 2.272 178.885 176.600 0.021 0.000 1.049 246 K CA 1.716 58.023 56.287 0.033 0.000 0.929 246 K CB -0.315 32.201 32.500 0.027 0.000 0.714 246 K HN 0.271 nan 8.250 nan 0.000 0.440 247 A N 1.767 124.600 122.820 0.022 0.000 1.884 247 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 247 A C 2.155 179.741 177.584 0.004 0.000 1.197 247 A CA 1.796 53.837 52.037 0.007 0.000 0.637 247 A CB -0.816 18.193 19.000 0.015 0.000 0.827 247 A HN 0.247 nan 8.150 nan 0.000 0.450 248 I N -0.718 119.877 120.570 0.041 0.000 2.439 248 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 248 I C 2.929 179.119 176.117 0.122 0.000 1.139 248 I CA 0.831 62.190 61.300 0.099 0.000 1.438 248 I CB -0.386 37.706 38.000 0.153 0.000 1.085 248 I HN 0.392 nan 8.210 nan 0.000 0.427 249 A N 0.952 123.813 122.820 0.067 0.000 1.877 249 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 249 A C 2.546 180.121 177.584 -0.015 0.000 1.186 249 A CA 1.855 53.912 52.037 0.034 0.000 0.620 249 A CB -0.734 18.284 19.000 0.030 0.000 0.822 249 A HN 0.412 nan 8.150 nan 0.000 0.443 250 A N -0.343 122.462 122.820 -0.026 0.000 1.930 250 A HA -0.119 4.200 4.320 -0.000 0.000 0.217 250 A C 2.103 179.624 177.584 -0.104 0.000 1.175 250 A CA 1.814 53.820 52.037 -0.052 0.000 0.627 250 A CB -0.442 18.533 19.000 -0.042 0.000 0.815 250 A HN 0.543 nan 8.150 nan 0.000 0.443 251 K N -1.839 118.469 120.400 -0.153 0.000 2.211 251 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 251 K C 0.549 176.833 176.600 -0.526 0.000 1.047 251 K CA 1.570 57.658 56.287 -0.331 0.000 0.935 251 K CB -0.194 32.063 32.500 -0.405 0.000 0.728 251 K HN 0.588 nan 8.250 nan 0.000 0.452 252 Y N -0.276 119.940 120.300 -0.140 0.000 2.557 252 Y HA 0.169 4.719 4.550 -0.000 0.000 0.247 252 Y C -0.197 175.557 175.900 -0.243 0.000 1.164 252 Y CA -0.415 57.551 58.100 -0.223 0.000 1.218 252 Y CB 0.224 38.397 38.460 -0.478 0.000 1.210 252 Y HN 0.153 nan 8.280 nan 0.000 0.529 253 N N 1.548 120.198 118.700 -0.083 0.000 2.681 253 N HA -0.201 4.539 4.740 -0.000 0.000 0.259 253 N C -1.290 174.165 175.510 -0.092 0.000 1.066 253 N CA 0.529 53.538 53.050 -0.068 0.000 0.717 253 N CB -0.481 37.979 38.487 -0.044 0.000 0.885 253 N HN 0.080 nan 8.380 nan 0.000 0.547 254 K N -0.488 119.848 120.400 -0.108 0.000 2.499 254 K HA 0.542 4.862 4.320 -0.000 0.000 0.277 254 K C 0.042 176.624 176.600 -0.031 0.000 1.025 254 K CA -0.207 56.016 56.287 -0.108 0.000 0.900 254 K CB 0.547 32.867 32.500 -0.299 0.000 1.494 254 K HN 0.321 nan 8.250 nan 0.000 0.442 255 T N -2.138 112.428 114.554 0.019 0.000 2.874 255 T HA 0.318 4.668 4.350 -0.000 0.000 0.281 255 T C -1.910 172.838 174.700 0.079 0.000 0.994 255 T CA -1.526 60.605 62.100 0.051 0.000 1.015 255 T CB 1.255 70.162 68.868 0.065 0.000 1.028 255 T HN 0.087 nan 8.240 nan 0.000 0.523 256 P HA -0.020 nan 4.420 nan 0.000 0.215 256 P C 1.713 179.068 177.300 0.091 0.000 1.153 256 P CA 1.516 64.672 63.100 0.092 0.000 0.853 256 P CB -0.306 31.492 31.700 0.162 0.000 0.788 257 A N 0.213 123.125 122.820 0.153 0.000 1.865 257 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 257 A C 2.146 179.866 177.584 0.227 0.000 1.191 257 A CA 1.973 54.096 52.037 0.143 0.000 0.623 257 A CB -1.451 17.559 19.000 0.017 0.000 0.826 257 A HN 0.183 nan 8.150 nan 0.000 0.444 258 E N -0.600 119.721 120.200 0.202 0.000 2.160 258 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 258 E C 1.884 178.662 176.600 0.298 0.000 0.991 258 E CA 1.312 57.870 56.400 0.265 0.000 0.810 258 E CB -0.242 29.639 29.700 0.302 0.000 0.742 258 E HN 0.431 nan 8.360 nan 0.000 0.466 259 V N 0.942 121.014 119.914 0.264 0.000 2.488 259 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 259 V C 2.134 178.335 176.094 0.179 0.000 1.046 259 V CA 1.114 63.589 62.300 0.291 0.000 1.053 259 V CB -0.263 31.676 31.823 0.193 0.000 0.679 259 V HN 0.259 nan 8.190 nan 0.000 0.458 260 L N -0.755 120.544 121.223 0.126 0.000 2.093 260 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 260 L C 2.294 179.243 176.870 0.132 0.000 1.085 260 L CA 1.431 56.337 54.840 0.110 0.000 0.755 260 L CB -0.409 41.765 42.059 0.192 0.000 0.904 260 L HN 0.303 nan 8.230 nan 0.000 0.435 261 L N -1.038 120.173 121.223 -0.021 0.000 2.127 261 L HA -0.093 4.247 4.340 -0.000 0.000 0.203 261 L C 2.744 179.411 176.870 -0.339 0.000 1.080 261 L CA 0.404 55.015 54.840 -0.383 0.000 0.768 261 L CB -0.332 41.107 42.059 -1.034 0.000 0.924 261 L HN 0.149 nan 8.230 nan 0.000 0.444 262 R N 0.117 120.515 120.500 -0.170 0.000 2.081 262 R HA -0.249 4.090 4.340 -0.000 0.000 0.235 262 R C 2.017 178.394 176.300 0.129 0.000 1.131 262 R CA 1.622 57.746 56.100 0.040 0.000 0.960 262 R CB -1.038 29.212 30.300 -0.084 0.000 0.856 262 R HN 0.411 nan 8.270 nan 0.000 0.436 263 W N 0.473 121.779 121.300 0.010 0.000 2.308 263 W HA -0.244 4.416 4.660 -0.000 0.000 0.301 263 W C 1.754 178.369 176.519 0.159 0.000 1.220 263 W CA 2.648 60.078 57.345 0.143 0.000 1.240 263 W CB -0.463 29.053 29.460 0.093 0.000 1.142 263 W HN 0.217 nan 8.180 nan 0.000 0.521 264 A N 0.061 122.948 122.820 0.112 0.000 1.871 264 A HA 0.179 4.499 4.320 -0.000 0.000 0.211 264 A C 2.094 179.639 177.584 -0.066 0.000 1.207 264 A CA 1.792 53.782 52.037 -0.079 0.000 0.620 264 A CB -1.494 17.556 19.000 0.083 0.000 0.860 264 A HN 0.340 nan 8.150 nan 0.000 0.450 265 A N -0.524 122.324 122.820 0.046 0.000 1.883 265 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 265 A C 2.168 179.765 177.584 0.022 0.000 1.186 265 A CA 2.010 54.102 52.037 0.092 0.000 0.624 265 A CB -0.758 18.436 19.000 0.323 0.000 0.822 265 A HN 0.626 nan 8.150 nan 0.000 0.444 266 Q N -0.766 119.054 119.800 0.033 0.000 2.297 266 Q HA -0.129 4.211 4.340 -0.000 0.000 0.208 266 Q C 1.736 177.706 176.000 -0.050 0.000 0.981 266 Q CA 1.258 57.075 55.803 0.024 0.000 0.876 266 Q CB -0.045 28.772 28.738 0.131 0.000 0.921 266 Q HN 0.637 nan 8.270 nan 0.000 0.446 267 R N -1.516 118.896 120.500 -0.147 0.000 2.334 267 R HA 0.107 4.447 4.340 -0.000 0.000 0.220 267 R C 0.755 176.934 176.300 -0.202 0.000 0.917 267 R CA 0.515 56.460 56.100 -0.258 0.000 1.073 267 R CB 0.552 30.593 30.300 -0.432 0.000 1.056 267 R HN 0.399 nan 8.270 nan 0.000 0.506 268 G N 1.347 110.065 108.800 -0.137 0.000 2.159 268 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.256 268 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.256 268 G C 0.171 174.996 174.900 -0.124 0.000 0.977 268 G CA -0.285 44.745 45.100 -0.116 0.000 0.652 268 G HN 0.253 nan 8.290 nan 0.000 0.531 269 I N 1.744 122.228 120.570 -0.143 0.000 2.325 269 I HA 0.517 4.687 4.170 -0.000 0.000 0.291 269 I C 1.112 177.187 176.117 -0.070 0.000 1.019 269 I CA -0.297 60.913 61.300 -0.150 0.000 1.302 269 I CB 1.377 39.233 38.000 -0.241 0.000 1.401 269 I HN 0.296 nan 8.210 nan 0.000 0.485 270 A N 6.989 129.775 122.820 -0.057 0.000 2.462 270 A HA 0.510 4.830 4.320 -0.000 0.000 0.243 270 A C -0.023 177.574 177.584 0.022 0.000 1.076 270 A CA -0.298 51.731 52.037 -0.014 0.000 0.773 270 A CB 0.420 19.398 19.000 -0.036 0.000 1.010 270 A HN 0.632 nan 8.150 nan 0.000 0.493 271 V N 0.020 119.976 119.914 0.070 0.000 2.960 271 V HA 0.806 4.926 4.120 -0.000 0.000 0.315 271 V C -0.154 176.006 176.094 0.110 0.000 1.087 271 V CA -0.539 61.810 62.300 0.083 0.000 0.982 271 V CB 1.685 33.551 31.823 0.072 0.000 1.039 271 V HN 1.072 nan 8.190 nan 0.000 0.437 272 I N -1.228 119.403 120.570 0.101 0.000 2.884 272 I HA 0.473 4.643 4.170 -0.000 0.000 0.317 272 I C -2.611 173.548 176.117 0.070 0.000 1.498 272 I CA -1.464 59.906 61.300 0.117 0.000 0.796 272 I CB 1.189 39.266 38.000 0.127 0.000 2.162 272 I HN 0.471 nan 8.210 nan 0.000 0.603 273 P HA -0.047 nan 4.420 nan 0.000 0.265 273 P C -0.411 176.875 177.300 -0.023 0.000 1.187 273 P CA 0.011 63.128 63.100 0.028 0.000 0.766 273 P CB 1.041 32.820 31.700 0.131 0.000 0.820 274 K N 2.354 122.738 120.400 -0.025 0.000 2.262 274 K HA 0.194 4.514 4.320 -0.000 0.000 0.288 274 K C -0.553 175.975 176.600 -0.120 0.000 1.090 274 K CA -0.018 56.160 56.287 -0.181 0.000 0.918 274 K CB -0.688 31.752 32.500 -0.101 0.000 1.139 274 K HN 0.160 nan 8.250 nan 0.000 0.462 275 S N 4.690 120.243 115.700 -0.246 0.000 2.473 275 S HA 0.065 4.535 4.470 -0.000 0.000 0.312 275 S C 0.360 174.986 174.600 0.043 0.000 1.087 275 S CA -0.793 57.409 58.200 0.002 0.000 1.077 275 S CB -0.117 63.162 63.200 0.132 0.000 1.065 275 S HN 0.777 nan 8.310 nan 0.000 0.510 276 N N 3.599 122.314 118.700 0.025 0.000 2.270 276 N HA 0.126 4.866 4.740 -0.000 0.000 0.198 276 N C -0.267 175.270 175.510 0.045 0.000 1.117 276 N CA 0.004 53.072 53.050 0.030 0.000 0.845 276 N CB 0.199 38.672 38.487 -0.023 0.000 0.980 276 N HN 0.423 nan 8.380 nan 0.000 0.486 277 L N -0.255 121.005 121.223 0.061 0.000 2.445 277 L HA 0.373 4.713 4.340 -0.000 0.000 0.262 277 L C -1.913 175.004 176.870 0.078 0.000 0.974 277 L CA -1.974 52.897 54.840 0.052 0.000 0.822 277 L CB 3.028 45.099 42.059 0.021 0.000 1.339 277 L HN -0.330 nan 8.230 nan 0.000 0.409 278 P HA -0.187 nan 4.420 nan 0.000 0.216 278 P C 0.684 178.038 177.300 0.090 0.000 1.153 278 P CA 1.321 64.469 63.100 0.080 0.000 0.858 278 P CB 0.361 32.096 31.700 0.058 0.000 0.789 279 E N -0.594 119.648 120.200 0.070 0.000 2.110 279 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 279 E C 2.027 178.685 176.600 0.097 0.000 0.988 279 E CA 1.066 57.508 56.400 0.070 0.000 0.804 279 E CB -0.650 29.075 29.700 0.041 0.000 0.745 279 E HN 0.253 nan 8.360 nan 0.000 0.458 280 R N -0.006 120.553 120.500 0.098 0.000 2.115 280 R HA 0.009 4.349 4.340 -0.000 0.000 0.226 280 R C 2.210 178.636 176.300 0.210 0.000 1.100 280 R CA 0.530 56.709 56.100 0.131 0.000 0.980 280 R CB -0.363 29.992 30.300 0.093 0.000 0.875 280 R HN 0.112 nan 8.270 nan 0.000 0.445 281 L N 0.786 122.133 121.223 0.206 0.000 1.990 281 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 281 L C 2.037 179.135 176.870 0.380 0.000 1.072 281 L CA 1.775 56.786 54.840 0.285 0.000 0.755 281 L CB -0.407 41.780 42.059 0.214 0.000 0.889 281 L HN -0.086 nan 8.230 nan 0.000 0.432 282 V N -0.567 119.498 119.914 0.250 0.000 2.307 282 V HA -0.305 3.814 4.120 -0.000 0.000 0.245 282 V C 2.516 178.730 176.094 0.200 0.000 1.045 282 V CA 1.981 64.401 62.300 0.199 0.000 1.024 282 V CB -0.860 31.039 31.823 0.127 0.000 0.651 282 V HN 0.657 nan 8.190 nan 0.000 0.449 283 Q N 0.314 120.234 119.800 0.200 0.000 2.170 283 Q HA -0.233 4.107 4.340 -0.000 0.000 0.203 283 Q C 1.747 177.946 176.000 0.331 0.000 0.976 283 Q CA 1.631 57.565 55.803 0.219 0.000 0.858 283 Q CB -0.111 28.730 28.738 0.172 0.000 0.907 283 Q HN 0.607 nan 8.270 nan 0.000 0.433 284 N N 0.515 119.444 118.700 0.382 0.000 2.521 284 N HA -0.081 4.658 4.740 -0.000 0.000 0.188 284 N C 0.667 176.541 175.510 0.606 0.000 1.146 284 N CA 0.840 54.196 53.050 0.511 0.000 0.893 284 N CB 0.163 38.937 38.487 0.479 0.000 0.975 284 N HN 0.426 nan 8.380 nan 0.000 0.451 285 R N -2.173 118.535 120.500 0.347 0.000 2.549 285 R HA 0.370 4.710 4.340 -0.000 0.000 0.361 285 R C -0.093 176.094 176.300 -0.188 0.000 0.969 285 R CA -0.191 55.917 56.100 0.015 0.000 1.158 285 R CB -0.010 30.113 30.300 -0.295 0.000 1.456 285 R HN -0.192 nan 8.270 nan 0.000 0.540 286 S N 0.963 116.649 115.700 -0.023 0.000 2.592 286 S HA 0.181 4.651 4.470 -0.000 0.000 0.243 286 S C -0.310 174.313 174.600 0.038 0.000 1.160 286 S CA -0.840 57.324 58.200 -0.059 0.000 1.145 286 S CB -0.106 63.110 63.200 0.028 0.000 0.909 286 S HN 0.490 nan 8.310 nan 0.000 0.487 287 F N -0.661 119.359 119.950 0.115 0.000 2.704 287 F HA 0.481 5.008 4.527 -0.000 0.000 0.304 287 F C 0.430 176.317 175.800 0.145 0.000 1.094 287 F CA -0.673 57.435 58.000 0.180 0.000 1.275 287 F CB -0.371 38.755 39.000 0.210 0.000 1.073 287 F HN 0.022 nan 8.300 nan 0.000 0.586 288 N N 2.020 120.561 118.700 -0.265 0.000 3.210 288 N HA 0.022 4.761 4.740 -0.000 0.000 0.314 288 N C 0.778 176.274 175.510 -0.024 0.000 1.291 288 N CA 0.849 53.815 53.050 -0.140 0.000 1.202 288 N CB -0.167 38.161 38.487 -0.265 0.000 1.475 288 N HN 0.531 nan 8.380 nan 0.000 0.554 289 T N -2.617 112.029 114.554 0.153 0.000 3.182 289 T HA 0.311 4.661 4.350 -0.000 0.000 0.277 289 T C -0.006 174.902 174.700 0.346 0.000 1.013 289 T CA -0.472 61.755 62.100 0.213 0.000 0.900 289 T CB -0.500 68.503 68.868 0.224 0.000 1.098 289 T HN 0.161 nan 8.240 nan 0.000 0.543 290 F N -1.556 118.377 119.950 -0.027 0.000 2.770 290 F HA 0.729 5.256 4.527 -0.000 0.000 0.313 290 F C -2.306 173.395 175.800 -0.165 0.000 1.154 290 F CA -1.625 56.315 58.000 -0.100 0.000 0.923 290 F CB 0.494 39.391 39.000 -0.172 0.000 1.301 290 F HN -0.182 nan 8.300 nan 0.000 0.449 291 D N 2.520 122.744 120.400 -0.293 0.000 2.362 291 D HA 0.511 5.151 4.640 -0.000 0.000 0.247 291 D C -0.550 175.507 176.300 -0.404 0.000 1.050 291 D CA -0.230 53.553 54.000 -0.362 0.000 0.839 291 D CB 2.828 43.548 40.800 -0.132 0.000 1.283 291 D HN 0.573 nan 8.370 nan 0.000 0.477 292 L N 1.410 122.346 121.223 -0.478 0.000 2.397 292 L HA 0.234 4.574 4.340 -0.000 0.000 0.271 292 L C 1.369 178.026 176.870 -0.356 0.000 1.148 292 L CA -0.255 54.283 54.840 -0.503 0.000 0.825 292 L CB 0.718 42.244 42.059 -0.888 0.000 1.117 292 L HN 0.419 nan 8.230 nan 0.000 0.456 293 T N -1.614 112.850 114.554 -0.150 0.000 2.902 293 T HA 0.191 4.541 4.350 -0.000 0.000 0.280 293 T C 0.928 175.641 174.700 0.022 0.000 0.992 293 T CA -0.805 61.291 62.100 -0.005 0.000 1.015 293 T CB 1.576 70.500 68.868 0.093 0.000 1.044 293 T HN 0.680 nan 8.240 nan 0.000 0.520 294 K N 0.515 121.003 120.400 0.145 0.000 2.059 294 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 294 K C 1.871 178.581 176.600 0.182 0.000 1.050 294 K CA 2.220 58.641 56.287 0.222 0.000 0.927 294 K CB -0.273 32.317 32.500 0.150 0.000 0.714 294 K HN 0.697 nan 8.250 nan 0.000 0.447 295 E N 1.103 121.372 120.200 0.115 0.000 2.058 295 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 295 E C 1.796 178.455 176.600 0.098 0.000 0.997 295 E CA 1.660 58.118 56.400 0.098 0.000 0.801 295 E CB -0.313 29.430 29.700 0.073 0.000 0.746 295 E HN 0.399 nan 8.360 nan 0.000 0.450 296 D N -0.197 120.238 120.400 0.059 0.000 2.103 296 D HA -0.167 4.473 4.640 -0.000 0.000 0.190 296 D C 1.808 178.158 176.300 0.085 0.000 0.997 296 D CA 0.993 55.008 54.000 0.025 0.000 0.833 296 D CB -0.469 40.287 40.800 -0.074 0.000 0.961 296 D HN 0.136 nan 8.370 nan 0.000 0.447 297 F N 1.693 121.741 119.950 0.165 0.000 2.154 297 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 297 F C 2.430 178.326 175.800 0.159 0.000 1.087 297 F CA 0.944 59.066 58.000 0.203 0.000 1.274 297 F CB -0.637 38.450 39.000 0.146 0.000 1.009 297 F HN 0.064 nan 8.300 nan 0.000 0.485 298 E N -0.371 120.006 120.200 0.295 0.000 2.072 298 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 298 E C 2.060 178.744 176.600 0.140 0.000 0.985 298 E CA 1.128 57.640 56.400 0.187 0.000 0.801 298 E CB -0.189 29.594 29.700 0.138 0.000 0.750 298 E HN 0.341 nan 8.360 nan 0.000 0.452 299 E N 0.555 120.826 120.200 0.120 0.000 2.208 299 E HA -0.071 4.278 4.350 -0.000 0.000 0.193 299 E C 2.056 178.686 176.600 0.051 0.000 0.988 299 E CA 0.552 56.999 56.400 0.078 0.000 0.828 299 E CB 0.031 29.769 29.700 0.064 0.000 0.763 299 E HN 0.367 nan 8.360 nan 0.000 0.478 300 I N 0.603 121.213 120.570 0.067 0.000 2.617 300 I HA -0.113 4.057 4.170 -0.000 0.000 0.256 300 I C 2.158 178.268 176.117 -0.011 0.000 1.167 300 I CA 0.621 61.891 61.300 -0.049 0.000 1.469 300 I CB -0.171 37.777 38.000 -0.087 0.000 1.098 300 I HN -0.057 nan 8.210 nan 0.000 0.436 301 A N 0.785 123.689 122.820 0.140 0.000 2.172 301 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 301 A C 2.136 179.762 177.584 0.070 0.000 1.154 301 A CA 1.053 53.176 52.037 0.144 0.000 0.701 301 A CB -0.372 18.729 19.000 0.169 0.000 0.789 301 A HN 0.329 nan 8.150 nan 0.000 0.465 302 K N -0.272 120.156 120.400 0.047 0.000 2.296 302 K HA 0.098 4.418 4.320 -0.000 0.000 0.200 302 K C 1.220 177.840 176.600 0.033 0.000 1.048 302 K CA 0.329 56.642 56.287 0.044 0.000 0.966 302 K CB -0.102 32.431 32.500 0.054 0.000 0.754 302 K HN 0.324 nan 8.250 nan 0.000 0.466 303 L N 1.260 122.468 121.223 -0.026 0.000 2.275 303 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 303 L C 0.502 177.421 176.870 0.083 0.000 1.119 303 L CA 1.081 55.903 54.840 -0.031 0.000 0.790 303 L CB -0.960 40.916 42.059 -0.304 0.000 0.919 303 L HN 0.191 nan 8.230 nan 0.000 0.443 304 D N 1.047 121.474 120.400 0.045 0.000 2.426 304 D HA -0.041 4.599 4.640 -0.000 0.000 0.261 304 D C 1.159 177.495 176.300 0.060 0.000 1.245 304 D CA 0.410 54.449 54.000 0.064 0.000 0.917 304 D CB 0.344 41.175 40.800 0.053 0.000 1.123 304 D HN 0.340 nan 8.370 nan 0.000 0.508 305 I N 0.283 120.893 120.570 0.067 0.000 4.240 305 I HA 0.382 4.552 4.170 -0.000 0.000 0.331 305 I C 1.189 177.284 176.117 -0.036 0.000 1.381 305 I CA -0.467 60.838 61.300 0.008 0.000 1.136 305 I CB 0.167 38.157 38.000 -0.017 0.000 1.137 305 I HN 0.431 nan 8.210 nan 0.000 0.411 306 G N 2.999 111.780 108.800 -0.033 0.000 2.295 306 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.287 306 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.287 306 G C -0.359 174.455 174.900 -0.143 0.000 1.055 306 G CA 0.344 45.391 45.100 -0.088 0.000 0.922 306 G HN 0.400 nan 8.290 nan 0.000 0.503 307 L N 0.539 121.675 121.223 -0.146 0.000 2.261 307 L HA 0.674 5.014 4.340 -0.000 0.000 0.289 307 L C 0.586 177.181 176.870 -0.459 0.000 1.059 307 L CA -0.934 53.720 54.840 -0.310 0.000 0.816 307 L CB 0.846 42.697 42.059 -0.347 0.000 1.191 307 L HN 0.315 nan 8.230 nan 0.000 0.431 308 R N 3.949 124.147 120.500 -0.504 0.000 2.338 308 R HA 0.307 4.647 4.340 -0.000 0.000 0.317 308 R C -0.309 175.655 176.300 -0.559 0.000 0.968 308 R CA -0.404 55.420 56.100 -0.461 0.000 0.849 308 R CB 0.688 30.781 30.300 -0.345 0.000 1.128 308 R HN 0.638 nan 8.270 nan 0.000 0.448 309 F N 0.415 120.277 119.950 -0.148 0.000 2.530 309 F HA 0.157 4.684 4.527 -0.000 0.000 0.292 309 F C 0.852 176.459 175.800 -0.322 0.000 1.109 309 F CA 0.059 57.795 58.000 -0.439 0.000 1.450 309 F CB 0.424 38.744 39.000 -1.133 0.000 1.114 309 F HN 0.387 nan 8.300 nan 0.000 0.560 310 D N 0.982 121.464 120.400 0.137 0.000 2.493 310 D HA 0.083 4.723 4.640 -0.000 0.000 0.235 310 D C -1.276 175.263 176.300 0.399 0.000 1.117 310 D CA 0.092 54.386 54.000 0.488 0.000 0.930 310 D CB 0.230 41.511 40.800 0.801 0.000 1.010 310 D HN -0.034 nan 8.370 nan 0.000 0.514 311 D N 3.294 123.870 120.400 0.294 0.000 2.505 311 D HA 0.271 4.911 4.640 -0.000 0.000 0.250 311 D C -1.944 174.264 176.300 -0.153 0.000 1.164 311 D CA -2.200 51.917 54.000 0.196 0.000 0.870 311 D CB 2.358 43.257 40.800 0.165 0.000 1.160 311 D HN 0.015 nan 8.370 nan 0.000 0.549 312 P HA -0.090 nan 4.420 nan 0.000 0.222 312 P C 1.360 178.231 177.300 -0.716 0.000 1.142 312 P CA 0.572 62.743 63.100 -1.547 0.000 0.788 312 P CB 0.039 30.934 31.700 -1.341 0.000 0.767 313 W N 1.056 122.120 121.300 -0.393 0.000 2.350 313 W HA -0.158 4.502 4.660 -0.000 0.000 0.289 313 W C 0.550 176.977 176.519 -0.153 0.000 1.215 313 W CA 1.393 58.602 57.345 -0.227 0.000 1.236 313 W CB -0.266 29.125 29.460 -0.115 0.000 1.130 313 W HN 0.034 nan 8.180 nan 0.000 0.541 314 D N -0.664 119.713 120.400 -0.038 0.000 2.269 314 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 314 D C 1.805 178.160 176.300 0.091 0.000 0.963 314 D CA 1.124 55.159 54.000 0.058 0.000 0.864 314 D CB -0.854 40.092 40.800 0.244 0.000 0.936 314 D HN 0.226 nan 8.370 nan 0.000 0.505 315 W N 0.911 122.077 121.300 -0.224 0.000 2.452 315 W HA 0.052 4.712 4.660 -0.000 0.000 0.313 315 W C 1.008 177.103 176.519 -0.707 0.000 1.176 315 W CA 0.413 57.500 57.345 -0.429 0.000 1.350 315 W CB -0.786 28.282 29.460 -0.654 0.000 1.148 315 W HN -0.044 nan 8.180 nan 0.000 0.498 316 D N -1.778 118.272 120.400 -0.584 0.000 3.118 316 D HA 0.070 4.710 4.640 -0.000 0.000 0.352 316 D C -0.818 175.088 176.300 -0.657 0.000 1.498 316 D CA -0.184 53.376 54.000 -0.733 0.000 0.759 316 D CB -1.212 38.860 40.800 -1.213 0.000 1.251 316 D HN -0.016 nan 8.370 nan 0.000 0.504 317 N N 0.387 118.541 118.700 -0.910 0.000 2.714 317 N HA -0.216 4.524 4.740 -0.000 0.000 0.252 317 N C -0.598 174.442 175.510 -0.785 0.000 1.014 317 N CA 0.583 52.691 53.050 -1.570 0.000 0.735 317 N CB -0.873 36.724 38.487 -1.483 0.000 0.924 317 N HN 0.470 nan 8.380 nan 0.000 0.540 318 I N 1.205 121.518 120.570 -0.428 0.000 2.337 318 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 318 I C -1.103 175.020 176.117 0.011 0.000 1.046 318 I CA -1.906 59.243 61.300 -0.252 0.000 1.324 318 I CB 0.838 38.628 38.000 -0.349 0.000 1.409 318 I HN -0.007 nan 8.210 nan 0.000 0.494 319 P HA -0.064 nan 4.420 nan 0.000 0.279 319 P C 1.195 178.403 177.300 -0.152 0.000 1.451 319 P CA 0.307 63.437 63.100 0.051 0.000 0.783 319 P CB -0.019 31.691 31.700 0.017 0.000 1.490 320 I N -0.830 119.566 120.570 -0.289 0.000 2.163 320 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 320 I C 1.478 177.216 176.117 -0.632 0.000 1.085 320 I CA 1.522 62.478 61.300 -0.574 0.000 1.347 320 I CB -1.554 35.911 38.000 -0.891 0.000 1.044 320 I HN -0.029 nan 8.210 nan 0.000 0.408 321 F N 0.696 120.594 119.950 -0.087 0.000 2.837 321 F HA 0.283 4.810 4.527 -0.000 0.000 0.298 321 F C 0.558 176.263 175.800 -0.159 0.000 1.161 321 F CA -0.635 57.302 58.000 -0.105 0.000 1.353 321 F CB -0.534 38.417 39.000 -0.081 0.000 0.951 321 F HN -0.180 nan 8.300 nan 0.000 0.508 322 V N 0.000 119.867 119.914 -0.078 0.000 2.409 322 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 322 V CA 0.000 62.201 62.300 -0.165 0.000 1.235 322 V CB 0.000 31.630 31.823 -0.321 0.000 1.184 322 V HN 0.000 nan 8.190 nan 0.000 0.556