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 1h7h_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKAVIVIPAR YGSSRLPGKP LLDIVGKPMI QHVYERALQV AGVAEVWVAT DATA SEQUENCE DDPRVEQAVQ AFGGKAIMTR NDHESGTDRL VEVMHKVEAD IYINLQGDEP DATA SEQUENCE MIRPRDVETL LQGMRDDPAL PVATLCHAIS AAEAAEPSTV KVVVNTRQDA DATA SEQUENCE LYFSRSPIPY PRNAEKARYL KHVGIYAYRR DVLQNYSQLP ESMPEQAESL DATA SEQUENCE EQLRLMNAGI NIRTFEVAAT GPGVDTPACL EKVRALMAQE LAENA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.583 174.600 -0.028 0.000 1.055 1 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 1 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 2 K N 3.200 123.576 120.400 -0.040 0.000 2.234 2 K HA 0.753 5.073 4.320 -0.000 0.000 0.282 2 K C -0.366 176.173 176.600 -0.101 0.000 1.039 2 K CA -0.221 56.032 56.287 -0.057 0.000 0.928 2 K CB 0.985 33.455 32.500 -0.051 0.000 1.039 2 K HN 0.613 nan 8.250 nan 0.000 0.470 3 A N 3.522 126.287 122.820 -0.091 0.000 2.371 3 A HA 0.585 4.905 4.320 -0.000 0.000 0.311 3 A C -0.988 176.539 177.584 -0.096 0.000 1.068 3 A CA -0.749 51.218 52.037 -0.117 0.000 0.744 3 A CB 1.345 20.304 19.000 -0.069 0.000 1.239 3 A HN 0.568 nan 8.150 nan 0.000 0.435 4 V N 0.056 119.891 119.914 -0.131 0.000 2.914 4 V HA 0.807 4.927 4.120 -0.000 0.000 0.314 4 V C -0.666 175.454 176.094 0.044 0.000 1.084 4 V CA -0.875 61.415 62.300 -0.016 0.000 0.963 4 V CB 1.652 33.494 31.823 0.032 0.000 1.025 4 V HN 0.724 nan 8.190 nan 0.000 0.432 5 I N 2.769 123.397 120.570 0.097 0.000 2.377 5 I HA 0.594 4.764 4.170 -0.000 0.000 0.293 5 I C -0.762 175.466 176.117 0.184 0.000 0.987 5 I CA -0.888 60.474 61.300 0.104 0.000 1.185 5 I CB 2.022 40.039 38.000 0.028 0.000 1.341 5 I HN 0.472 nan 8.210 nan 0.000 0.455 6 V N 7.575 127.603 119.914 0.191 0.000 2.448 6 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 6 V C -0.114 176.080 176.094 0.166 0.000 1.025 6 V CA -0.469 61.958 62.300 0.210 0.000 0.859 6 V CB 1.967 33.893 31.823 0.172 0.000 0.988 6 V HN 0.470 nan 8.190 nan 0.000 0.431 7 I N 6.754 127.434 120.570 0.184 0.000 2.428 7 I HA 0.344 4.514 4.170 -0.000 0.000 0.279 7 I C -2.544 173.664 176.117 0.152 0.000 1.040 7 I CA -1.878 59.518 61.300 0.159 0.000 1.171 7 I CB 1.885 39.994 38.000 0.183 0.000 1.312 7 I HN 0.405 nan 8.210 nan 0.000 0.470 8 P HA 0.161 nan 4.420 nan 0.000 0.271 8 P C -0.679 176.683 177.300 0.103 0.000 1.226 8 P CA -0.127 63.028 63.100 0.093 0.000 0.765 8 P CB 0.941 32.674 31.700 0.055 0.000 0.835 9 A N 3.836 126.725 122.820 0.114 0.000 2.815 9 A HA 0.355 4.675 4.320 -0.000 0.000 0.318 9 A C -0.088 177.567 177.584 0.119 0.000 1.186 9 A CA -0.641 51.466 52.037 0.116 0.000 0.754 9 A CB 0.356 19.439 19.000 0.137 0.000 1.151 9 A HN 0.407 nan 8.150 nan 0.000 0.452 10 R N 1.397 121.960 120.500 0.105 0.000 2.340 10 R HA 0.316 4.656 4.340 -0.000 0.000 0.300 10 R C 0.338 176.721 176.300 0.137 0.000 1.069 10 R CA -0.305 55.868 56.100 0.121 0.000 0.984 10 R CB 0.436 30.794 30.300 0.097 0.000 1.003 10 R HN 0.784 nan 8.270 nan 0.000 0.459 11 Y N 3.249 123.577 120.300 0.047 0.000 2.130 11 Y HA 0.099 4.649 4.550 -0.000 0.000 0.287 11 Y C 1.216 177.138 175.900 0.037 0.000 1.124 11 Y CA 1.428 59.553 58.100 0.042 0.000 1.118 11 Y CB -0.208 38.274 38.460 0.036 0.000 0.994 11 Y HN 0.770 nan 8.280 nan 0.000 0.497 12 G N 1.335 110.325 108.800 0.315 0.000 2.195 12 G HA2 0.250 4.210 3.960 -0.000 0.000 0.264 12 G HA3 0.250 4.210 3.960 -0.000 0.000 0.264 12 G C -0.769 174.175 174.900 0.073 0.000 1.148 12 G CA 0.598 45.816 45.100 0.198 0.000 1.023 12 G HN 0.280 nan 8.290 nan 0.000 0.429 13 S N 0.999 116.714 115.700 0.025 0.000 2.572 13 S HA 0.501 4.971 4.470 -0.000 0.000 0.274 13 S C 1.235 175.838 174.600 0.005 0.000 1.150 13 S CA 0.079 58.280 58.200 0.001 0.000 0.944 13 S CB 1.313 64.489 63.200 -0.039 0.000 1.071 13 S HN 1.006 nan 8.310 nan 0.000 0.479 14 S N 4.981 120.689 115.700 0.013 0.000 2.380 14 S HA -0.092 4.378 4.470 -0.000 0.000 0.217 14 S C 1.397 176.001 174.600 0.007 0.000 1.036 14 S CA 0.729 58.938 58.200 0.015 0.000 1.050 14 S CB -0.570 62.641 63.200 0.017 0.000 1.016 14 S HN 0.791 nan 8.310 nan 0.000 0.419 15 R N 0.842 121.343 120.500 0.002 0.000 2.319 15 R HA 0.421 4.761 4.340 -0.000 0.000 0.204 15 R C -0.394 175.899 176.300 -0.012 0.000 0.954 15 R CA 0.220 56.319 56.100 -0.002 0.000 1.066 15 R CB -0.195 30.105 30.300 0.000 0.000 0.991 15 R HN 0.397 nan 8.270 nan 0.000 0.486 16 L N 1.411 122.620 121.223 -0.023 0.000 2.367 16 L HA 0.232 4.572 4.340 -0.000 0.000 0.263 16 L C -2.547 174.270 176.870 -0.088 0.000 1.473 16 L CA -1.604 53.209 54.840 -0.046 0.000 0.807 16 L CB 2.014 44.046 42.059 -0.044 0.000 0.968 16 L HN -0.134 nan 8.230 nan 0.000 0.520 17 P HA 0.071 nan 4.420 nan 0.000 0.267 17 P C 0.745 177.824 177.300 -0.368 0.000 1.209 17 P CA 0.955 63.975 63.100 -0.134 0.000 0.763 17 P CB 1.053 32.750 31.700 -0.004 0.000 0.816 18 G N 3.248 111.513 108.800 -0.892 0.000 2.324 18 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.292 18 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.292 18 G C 0.856 175.460 174.900 -0.493 0.000 1.079 18 G CA 0.380 44.667 45.100 -1.354 0.000 1.026 18 G HN 0.639 nan 8.290 nan 0.000 0.506 19 K N 0.478 120.684 120.400 -0.324 0.000 2.026 19 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 19 K C 0.412 176.965 176.600 -0.078 0.000 1.048 19 K CA 1.515 57.716 56.287 -0.144 0.000 0.929 19 K CB -0.191 32.256 32.500 -0.089 0.000 0.713 19 K HN 0.458 nan 8.250 nan 0.000 0.439 20 P HA -0.121 nan 4.420 nan 0.000 0.230 20 P C 0.745 178.073 177.300 0.046 0.000 1.158 20 P CA 1.100 64.215 63.100 0.025 0.000 0.769 20 P CB 0.046 31.786 31.700 0.066 0.000 0.807 21 L N -1.366 119.863 121.223 0.009 0.000 2.607 21 L HA 0.173 4.513 4.340 -0.000 0.000 0.228 21 L C 1.193 178.083 176.870 0.032 0.000 1.123 21 L CA -0.316 54.553 54.840 0.048 0.000 0.890 21 L CB -0.388 41.719 42.059 0.079 0.000 1.103 21 L HN -0.113 nan 8.230 nan 0.000 0.468 22 L N 1.019 122.246 121.223 0.007 0.000 2.490 22 L HA -0.013 4.327 4.340 -0.000 0.000 0.274 22 L C 0.666 177.559 176.870 0.037 0.000 1.201 22 L CA 0.304 55.151 54.840 0.011 0.000 0.869 22 L CB 0.212 42.267 42.059 -0.006 0.000 1.123 22 L HN 0.112 nan 8.230 nan 0.000 0.484 23 D N 4.403 124.825 120.400 0.035 0.000 2.351 23 D HA 0.320 4.960 4.640 -0.000 0.000 0.251 23 D C -0.687 175.645 176.300 0.053 0.000 1.137 23 D CA -0.084 53.946 54.000 0.050 0.000 0.879 23 D CB 0.900 41.722 40.800 0.037 0.000 1.181 23 D HN 0.300 nan 8.370 nan 0.000 0.448 24 I N 3.920 124.551 120.570 0.102 0.000 2.497 24 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 24 I C 0.435 176.646 176.117 0.158 0.000 1.060 24 I CA -0.958 60.378 61.300 0.061 0.000 1.071 24 I CB 2.061 40.013 38.000 -0.080 0.000 1.216 24 I HN 0.369 nan 8.210 nan 0.000 0.442 25 V N 3.021 122.977 119.914 0.069 0.000 5.479 25 V HA -0.266 3.854 4.120 -0.000 0.000 0.289 25 V C 0.923 177.069 176.094 0.086 0.000 0.595 25 V CA 1.058 63.402 62.300 0.072 0.000 0.649 25 V CB -2.468 29.392 31.823 0.062 0.000 0.390 25 V HN 1.561 nan 8.190 nan 0.000 0.974 26 G N -0.859 107.978 108.800 0.062 0.000 2.176 26 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 26 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 26 G C 0.056 174.958 174.900 0.002 0.000 0.979 26 G CA 0.604 45.721 45.100 0.029 0.000 0.641 26 G HN 1.130 nan 8.290 nan 0.000 0.530 27 K N 1.097 121.504 120.400 0.012 0.000 2.375 27 K HA 0.540 4.860 4.320 -0.000 0.000 0.249 27 K C -2.692 173.890 176.600 -0.031 0.000 0.942 27 K CA -2.173 54.043 56.287 -0.119 0.000 0.806 27 K CB 3.095 35.319 32.500 -0.461 0.000 1.227 27 K HN -0.005 nan 8.250 nan 0.000 0.430 28 P HA -0.031 nan 4.420 nan 0.000 0.271 28 P C 0.378 177.722 177.300 0.073 0.000 1.218 28 P CA -0.086 63.038 63.100 0.039 0.000 0.780 28 P CB 0.777 32.518 31.700 0.068 0.000 0.901 29 M N 2.702 122.377 119.600 0.125 0.000 2.106 29 M HA -0.221 4.259 4.480 -0.000 0.000 0.259 29 M C 1.765 178.144 176.300 0.132 0.000 1.068 29 M CA 2.029 57.425 55.300 0.160 0.000 1.100 29 M CB -0.608 32.042 32.600 0.083 0.000 1.351 29 M HN 0.235 nan 8.290 nan 0.000 0.404 30 I N 0.544 121.182 120.570 0.113 0.000 2.335 30 I HA -0.324 3.846 4.170 -0.000 0.000 0.251 30 I C 2.347 178.522 176.117 0.097 0.000 1.129 30 I CA 1.793 63.184 61.300 0.153 0.000 1.402 30 I CB -0.503 37.626 38.000 0.215 0.000 1.069 30 I HN 0.529 nan 8.210 nan 0.000 0.424 31 Q N -0.724 118.989 119.800 -0.145 0.000 2.079 31 Q HA -0.240 4.100 4.340 -0.000 0.000 0.200 31 Q C 2.217 178.015 176.000 -0.336 0.000 0.974 31 Q CA 1.436 56.859 55.803 -0.634 0.000 0.840 31 Q CB -0.191 27.962 28.738 -0.975 0.000 0.898 31 Q HN 0.600 nan 8.270 nan 0.000 0.430 32 H N -0.678 118.314 119.070 -0.129 0.000 2.353 32 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 32 H C 2.217 177.532 175.328 -0.022 0.000 1.090 32 H CA 1.696 57.702 56.048 -0.070 0.000 1.327 32 H CB -0.002 29.730 29.762 -0.049 0.000 1.383 32 H HN 0.172 nan 8.280 nan 0.000 0.508 33 V N 0.542 120.537 119.914 0.136 0.000 2.307 33 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 33 V C 2.248 178.400 176.094 0.096 0.000 1.045 33 V CA 1.700 64.063 62.300 0.104 0.000 1.024 33 V CB -0.861 31.030 31.823 0.114 0.000 0.651 33 V HN 0.311 nan 8.190 nan 0.000 0.449 34 Y N 1.201 121.510 120.300 0.015 0.000 2.145 34 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 34 Y C 2.615 178.508 175.900 -0.011 0.000 1.145 34 Y CA 2.142 60.263 58.100 0.035 0.000 1.148 34 Y CB -0.123 38.402 38.460 0.110 0.000 0.981 34 Y HN 0.341 nan 8.280 nan 0.000 0.507 35 E N -0.475 119.795 120.200 0.116 0.000 2.110 35 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 35 E C 2.270 178.869 176.600 -0.002 0.000 0.988 35 E CA 1.242 57.667 56.400 0.042 0.000 0.804 35 E CB -0.143 29.539 29.700 -0.030 0.000 0.745 35 E HN 0.487 nan 8.360 nan 0.000 0.458 36 R N 0.352 120.853 120.500 0.001 0.000 2.090 36 R HA -0.018 4.322 4.340 -0.000 0.000 0.228 36 R C 2.366 178.639 176.300 -0.044 0.000 1.110 36 R CA 0.942 57.035 56.100 -0.011 0.000 0.973 36 R CB -0.204 30.099 30.300 0.006 0.000 0.869 36 R HN 0.085 nan 8.270 nan 0.000 0.440 37 A N 1.194 123.968 122.820 -0.076 0.000 1.940 37 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 37 A C 2.086 179.586 177.584 -0.141 0.000 1.176 37 A CA 1.160 53.127 52.037 -0.118 0.000 0.631 37 A CB -0.524 18.366 19.000 -0.183 0.000 0.814 37 A HN 0.202 nan 8.150 nan 0.000 0.446 38 L N -0.840 120.286 121.223 -0.163 0.000 2.265 38 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 38 L C 2.407 179.238 176.870 -0.064 0.000 1.117 38 L CA 1.080 55.848 54.840 -0.121 0.000 0.782 38 L CB -0.385 41.630 42.059 -0.073 0.000 0.914 38 L HN 0.519 nan 8.230 nan 0.000 0.441 39 Q N -0.681 119.088 119.800 -0.051 0.000 2.444 39 Q HA 0.046 4.386 4.340 -0.000 0.000 0.206 39 Q C 0.144 176.122 176.000 -0.038 0.000 0.948 39 Q CA -0.034 55.748 55.803 -0.035 0.000 0.946 39 Q CB 0.374 29.096 28.738 -0.026 0.000 1.027 39 Q HN 0.256 nan 8.270 nan 0.000 0.513 40 V N 1.942 121.828 119.914 -0.047 0.000 2.427 40 V HA 0.230 4.350 4.120 -0.000 0.000 0.268 40 V C 0.375 176.444 176.094 -0.041 0.000 1.046 40 V CA -0.565 61.708 62.300 -0.045 0.000 0.970 40 V CB 0.513 32.307 31.823 -0.048 0.000 1.001 40 V HN 0.199 nan 8.190 nan 0.000 0.476 41 A N 4.229 127.026 122.820 -0.037 0.000 2.445 41 A HA 0.562 4.882 4.320 -0.000 0.000 0.242 41 A C 1.506 179.069 177.584 -0.035 0.000 1.075 41 A CA 0.496 52.513 52.037 -0.033 0.000 0.777 41 A CB -0.056 18.925 19.000 -0.030 0.000 1.013 41 A HN 2.093 nan 8.150 nan 0.000 0.493 42 G N 0.062 108.844 108.800 -0.030 0.000 2.179 42 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.260 42 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.260 42 G C 0.124 175.005 174.900 -0.031 0.000 0.977 42 G CA 0.220 45.302 45.100 -0.030 0.000 0.641 42 G HN 1.405 nan 8.290 nan 0.000 0.533 43 V N 0.695 120.590 119.914 -0.032 0.000 2.427 43 V HA 0.690 4.810 4.120 -0.000 0.000 0.286 43 V C 1.356 177.437 176.094 -0.022 0.000 1.034 43 V CA 0.341 62.623 62.300 -0.030 0.000 0.893 43 V CB 1.304 33.105 31.823 -0.036 0.000 0.982 43 V HN 0.657 nan 8.190 nan 0.000 0.452 44 A N 4.399 127.212 122.820 -0.011 0.000 1.874 44 A HA 0.163 4.483 4.320 -0.000 0.000 0.214 44 A C 0.728 178.322 177.584 0.017 0.000 1.189 44 A CA 0.780 52.820 52.037 0.005 0.000 0.615 44 A CB 0.067 19.075 19.000 0.014 0.000 0.830 44 A HN 0.815 nan 8.150 nan 0.000 0.443 45 E N -1.708 118.520 120.200 0.047 0.000 2.408 45 E HA 0.580 4.930 4.350 -0.000 0.000 0.275 45 E C -1.878 174.754 176.600 0.053 0.000 0.935 45 E CA -0.811 55.619 56.400 0.051 0.000 0.775 45 E CB 2.598 32.423 29.700 0.208 0.000 1.277 45 E HN -0.023 nan 8.360 nan 0.000 0.455 46 V N 1.652 121.514 119.914 -0.088 0.000 2.531 46 V HA 0.456 4.576 4.120 -0.000 0.000 0.301 46 V C -1.315 174.734 176.094 -0.076 0.000 1.034 46 V CA -0.750 61.483 62.300 -0.112 0.000 0.865 46 V CB 0.738 32.278 31.823 -0.471 0.000 0.995 46 V HN 0.604 nan 8.190 nan 0.000 0.424 47 W N 2.617 123.970 121.300 0.088 0.000 2.882 47 W HA 0.778 5.438 4.660 -0.000 0.000 0.345 47 W C -0.749 175.887 176.519 0.194 0.000 1.125 47 W CA -0.788 56.661 57.345 0.173 0.000 1.167 47 W CB 2.030 31.561 29.460 0.119 0.000 1.431 47 W HN 0.265 nan 8.180 nan 0.000 0.543 48 V N 2.785 122.982 119.914 0.472 0.000 2.378 48 V HA 0.688 4.808 4.120 -0.000 0.000 0.288 48 V C -0.191 176.069 176.094 0.276 0.000 1.016 48 V CA -1.078 61.420 62.300 0.330 0.000 0.840 48 V CB 0.909 32.896 31.823 0.274 0.000 0.994 48 V HN 0.613 nan 8.190 nan 0.000 0.431 49 A N 3.731 126.675 122.820 0.208 0.000 2.260 49 A HA 0.807 5.127 4.320 -0.000 0.000 0.308 49 A C 0.027 177.689 177.584 0.129 0.000 1.254 49 A CA -0.234 51.892 52.037 0.148 0.000 0.874 49 A CB 1.160 20.215 19.000 0.091 0.000 1.153 49 A HN 0.780 nan 8.150 nan 0.000 0.527 50 T N 0.043 114.669 114.554 0.121 0.000 2.864 50 T HA 0.514 4.864 4.350 -0.000 0.000 0.299 50 T C -0.469 174.288 174.700 0.096 0.000 1.166 50 T CA 0.053 62.220 62.100 0.112 0.000 1.007 50 T CB 1.518 70.453 68.868 0.112 0.000 1.219 50 T HN 0.653 nan 8.240 nan 0.000 0.506 51 D N 0.435 120.889 120.400 0.091 0.000 2.469 51 D HA 0.196 4.835 4.640 -0.000 0.000 0.213 51 D C -0.036 176.289 176.300 0.041 0.000 1.135 51 D CA -0.091 53.948 54.000 0.065 0.000 0.834 51 D CB 0.409 41.250 40.800 0.069 0.000 1.009 51 D HN 0.454 nan 8.370 nan 0.000 0.507 52 D N 1.114 121.545 120.400 0.051 0.000 2.391 52 D HA 0.156 4.796 4.640 -0.000 0.000 0.245 52 D C -1.723 174.574 176.300 -0.004 0.000 1.069 52 D CA -1.910 52.092 54.000 0.003 0.000 0.831 52 D CB 3.212 44.014 40.800 0.002 0.000 1.204 52 D HN -0.218 nan 8.370 nan 0.000 0.503 53 P HA -0.100 nan 4.420 nan 0.000 0.220 53 P C 1.044 178.324 177.300 -0.032 0.000 1.148 53 P CA 0.664 63.746 63.100 -0.030 0.000 0.803 53 P CB 0.570 32.246 31.700 -0.041 0.000 0.782 54 R N -0.374 120.090 120.500 -0.060 0.000 2.115 54 R HA -0.009 4.331 4.340 -0.000 0.000 0.230 54 R C 2.295 178.626 176.300 0.052 0.000 1.111 54 R CA 0.874 56.956 56.100 -0.031 0.000 0.976 54 R CB -0.704 29.528 30.300 -0.114 0.000 0.870 54 R HN 0.117 nan 8.270 nan 0.000 0.445 55 V N 0.836 120.803 119.914 0.087 0.000 2.488 55 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 55 V C 2.266 178.387 176.094 0.045 0.000 1.046 55 V CA 1.575 63.947 62.300 0.121 0.000 1.053 55 V CB -0.350 31.573 31.823 0.167 0.000 0.679 55 V HN 0.351 nan 8.190 nan 0.000 0.458 56 E N -0.230 119.983 120.200 0.021 0.000 2.110 56 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 56 E C 2.276 178.835 176.600 -0.067 0.000 0.988 56 E CA 1.135 57.526 56.400 -0.015 0.000 0.804 56 E CB 0.028 29.728 29.700 0.000 0.000 0.745 56 E HN 0.478 nan 8.360 nan 0.000 0.458 57 Q N -0.043 119.729 119.800 -0.048 0.000 2.083 57 Q HA -0.060 4.280 4.340 -0.000 0.000 0.198 57 Q C 2.063 178.009 176.000 -0.090 0.000 0.969 57 Q CA 1.343 57.107 55.803 -0.065 0.000 0.838 57 Q CB -0.321 28.396 28.738 -0.036 0.000 0.900 57 Q HN 0.369 nan 8.270 nan 0.000 0.436 58 A N 0.058 122.850 122.820 -0.047 0.000 1.933 58 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 58 A C 2.393 179.863 177.584 -0.191 0.000 1.175 58 A CA 1.465 53.492 52.037 -0.016 0.000 0.628 58 A CB -0.533 18.519 19.000 0.088 0.000 0.814 58 A HN 0.208 nan 8.150 nan 0.000 0.444 59 V N -0.239 119.470 119.914 -0.342 0.000 2.307 59 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 59 V C 2.597 178.014 176.094 -1.129 0.000 1.045 59 V CA 2.177 63.931 62.300 -0.911 0.000 1.024 59 V CB -0.895 30.664 31.823 -0.439 0.000 0.651 59 V HN 0.632 nan 8.190 nan 0.000 0.449 60 Q N -0.181 119.289 119.800 -0.551 0.000 2.167 60 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 60 Q C 2.392 178.177 176.000 -0.359 0.000 0.970 60 Q CA 1.527 57.087 55.803 -0.405 0.000 0.855 60 Q CB -0.411 28.195 28.738 -0.219 0.000 0.911 60 Q HN 0.671 nan 8.270 nan 0.000 0.438 61 A N 1.068 123.708 122.820 -0.300 0.000 1.978 61 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 61 A C 1.566 179.099 177.584 -0.086 0.000 1.170 61 A CA 1.379 53.329 52.037 -0.145 0.000 0.636 61 A CB -0.686 18.280 19.000 -0.058 0.000 0.810 61 A HN 0.575 nan 8.150 nan 0.000 0.448 62 F N -2.634 117.243 119.950 -0.121 0.000 2.693 62 F HA 0.521 5.048 4.527 -0.000 0.000 0.303 62 F C 1.153 176.854 175.800 -0.164 0.000 1.097 62 F CA -0.260 57.659 58.000 -0.135 0.000 1.330 62 F CB -0.599 38.312 39.000 -0.148 0.000 1.067 62 F HN 0.294 nan 8.300 nan 0.000 0.565 63 G N 0.208 108.852 108.800 -0.260 0.000 2.136 63 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.242 63 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.242 63 G C 0.573 175.285 174.900 -0.314 0.000 0.989 63 G CA -0.210 44.763 45.100 -0.212 0.000 0.682 63 G HN 0.947 nan 8.290 nan 0.000 0.522 64 G N -0.483 107.910 108.800 -0.678 0.000 2.504 64 G HA2 0.558 4.518 3.960 -0.000 0.000 0.288 64 G HA3 0.558 4.518 3.960 -0.000 0.000 0.288 64 G C 0.029 174.638 174.900 -0.484 0.000 1.182 64 G CA -0.645 43.982 45.100 -0.788 0.000 0.894 64 G HN 0.396 nan 8.290 nan 0.000 0.521 65 K N 0.344 120.561 120.400 -0.305 0.000 2.276 65 K HA 0.531 4.851 4.320 -0.000 0.000 0.285 65 K C -0.072 176.466 176.600 -0.104 0.000 1.062 65 K CA -0.073 55.991 56.287 -0.371 0.000 0.918 65 K CB 1.550 33.479 32.500 -0.950 0.000 1.055 65 K HN 0.499 nan 8.250 nan 0.000 0.477 66 A N 3.815 126.644 122.820 0.016 0.000 2.374 66 A HA 0.702 5.022 4.320 -0.000 0.000 0.317 66 A C -1.137 176.637 177.584 0.317 0.000 1.094 66 A CA -0.840 51.300 52.037 0.171 0.000 0.765 66 A CB 0.942 19.960 19.000 0.030 0.000 1.268 66 A HN 0.834 nan 8.150 nan 0.000 0.438 67 I N 2.436 123.190 120.570 0.307 0.000 2.512 67 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 67 I C -0.888 175.303 176.117 0.123 0.000 1.069 67 I CA -0.910 60.520 61.300 0.217 0.000 1.056 67 I CB 1.329 39.413 38.000 0.139 0.000 1.229 67 I HN 0.594 nan 8.210 nan 0.000 0.429 68 M N 6.343 125.995 119.600 0.087 0.000 2.219 68 M HA 0.256 4.736 4.480 -0.000 0.000 0.353 68 M C 0.219 176.552 176.300 0.055 0.000 1.304 68 M CA 0.254 55.592 55.300 0.063 0.000 1.115 68 M CB 0.691 33.316 32.600 0.041 0.000 1.664 68 M HN 0.693 nan 8.290 nan 0.000 0.459 69 T N 1.605 116.198 114.554 0.066 0.000 2.888 69 T HA 0.642 4.992 4.350 -0.000 0.000 0.288 69 T C 0.090 174.806 174.700 0.026 0.000 1.063 69 T CA -1.163 60.986 62.100 0.082 0.000 1.010 69 T CB 1.657 70.629 68.868 0.172 0.000 1.214 69 T HN 0.614 nan 8.240 nan 0.000 0.533 70 R N 1.526 121.978 120.500 -0.079 0.000 2.643 70 R HA 0.200 4.540 4.340 -0.000 0.000 0.270 70 R C 1.599 177.800 176.300 -0.165 0.000 1.061 70 R CA -0.059 55.917 56.100 -0.207 0.000 1.107 70 R CB 0.334 30.389 30.300 -0.408 0.000 0.999 70 R HN 0.840 nan 8.270 nan 0.000 0.460 71 N N 1.323 119.966 118.700 -0.095 0.000 2.422 71 N HA -0.119 4.621 4.740 -0.000 0.000 0.181 71 N C 0.007 175.496 175.510 -0.034 0.000 1.080 71 N CA 0.756 53.789 53.050 -0.028 0.000 0.893 71 N CB 0.084 38.566 38.487 -0.009 0.000 0.973 71 N HN 0.617 nan 8.380 nan 0.000 0.456 72 D N -0.649 119.688 120.400 -0.105 0.000 2.352 72 D HA -0.060 4.579 4.640 -0.000 0.000 0.232 72 D C 0.038 176.319 176.300 -0.032 0.000 1.055 72 D CA 0.039 53.996 54.000 -0.072 0.000 0.891 72 D CB -0.291 40.456 40.800 -0.089 0.000 0.897 72 D HN 0.148 nan 8.370 nan 0.000 0.529 73 H N 1.431 120.506 119.070 0.009 0.000 2.848 73 H HA 0.040 4.596 4.556 -0.000 0.000 0.317 73 H C 1.265 176.599 175.328 0.011 0.000 1.046 73 H CA 0.145 56.197 56.048 0.007 0.000 1.470 73 H CB 1.003 30.765 29.762 -0.000 0.000 1.483 73 H HN 0.476 nan 8.280 nan 0.000 0.548 74 E N 1.446 121.740 120.200 0.155 0.000 2.371 74 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 74 E C 0.019 176.654 176.600 0.059 0.000 1.012 74 E CA 0.150 56.602 56.400 0.086 0.000 0.860 74 E CB 0.433 30.173 29.700 0.068 0.000 0.811 74 E HN 0.430 nan 8.360 nan 0.000 0.502 75 S N -1.508 114.214 115.700 0.036 0.000 2.656 75 S HA 0.490 4.960 4.470 -0.000 0.000 0.273 75 S C 0.861 175.417 174.600 -0.072 0.000 1.168 75 S CA -0.540 57.656 58.200 -0.008 0.000 0.817 75 S CB 0.929 64.121 63.200 -0.014 0.000 1.146 75 S HN 0.024 nan 8.310 nan 0.000 0.475 76 G N 0.123 108.883 108.800 -0.066 0.000 2.534 76 G HA2 0.081 4.041 3.960 -0.000 0.000 0.217 76 G HA3 0.081 4.041 3.960 -0.000 0.000 0.217 76 G C 0.842 175.624 174.900 -0.196 0.000 1.128 76 G CA 1.185 46.231 45.100 -0.091 0.000 0.784 76 G HN 0.728 nan 8.290 nan 0.000 0.542 77 T N 0.536 114.932 114.554 -0.263 0.000 2.978 77 T HA -0.006 4.344 4.350 -0.000 0.000 0.262 77 T C 1.874 176.250 174.700 -0.540 0.000 1.063 77 T CA 0.881 62.694 62.100 -0.478 0.000 1.140 77 T CB -0.069 68.428 68.868 -0.618 0.000 0.886 77 T HN 0.175 nan 8.240 nan 0.000 0.470 78 D N 1.238 121.403 120.400 -0.391 0.000 2.144 78 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 78 D C 2.235 178.074 176.300 -0.769 0.000 0.978 78 D CA 0.797 54.557 54.000 -0.399 0.000 0.833 78 D CB -0.140 40.544 40.800 -0.194 0.000 0.961 78 D HN 0.304 nan 8.370 nan 0.000 0.470 79 R N 0.532 120.518 120.500 -0.856 0.000 2.096 79 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 79 R C 2.291 178.360 176.300 -0.384 0.000 1.127 79 R CA 0.701 56.354 56.100 -0.744 0.000 0.968 79 R CB -0.268 29.843 30.300 -0.315 0.000 0.861 79 R HN 0.076 nan 8.270 nan 0.000 0.440 80 L N 0.382 121.379 121.223 -0.378 0.000 2.141 80 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 80 L C 1.957 178.555 176.870 -0.453 0.000 1.094 80 L CA 1.263 55.888 54.840 -0.358 0.000 0.763 80 L CB -0.118 41.710 42.059 -0.384 0.000 0.908 80 L HN -0.002 nan 8.230 nan 0.000 0.437 81 V N -0.225 119.406 119.914 -0.472 0.000 2.407 81 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 81 V C 2.564 178.451 176.094 -0.345 0.000 1.055 81 V CA 2.033 64.067 62.300 -0.443 0.000 1.049 81 V CB -0.611 31.031 31.823 -0.303 0.000 0.662 81 V HN 0.591 nan 8.190 nan 0.000 0.455 82 E N -0.017 120.078 120.200 -0.174 0.000 2.106 82 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 82 E C 2.188 178.743 176.600 -0.075 0.000 0.984 82 E CA 1.367 57.770 56.400 0.004 0.000 0.806 82 E CB 0.074 29.864 29.700 0.149 0.000 0.750 82 E HN 0.447 nan 8.360 nan 0.000 0.458 83 V N 1.883 121.695 119.914 -0.170 0.000 2.427 83 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 83 V C 2.496 178.435 176.094 -0.258 0.000 1.051 83 V CA 1.624 63.802 62.300 -0.204 0.000 1.048 83 V CB -0.460 31.245 31.823 -0.197 0.000 0.666 83 V HN 0.477 nan 8.190 nan 0.000 0.456 84 M N -0.295 119.057 119.600 -0.414 0.000 2.149 84 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 84 M C 2.211 178.334 176.300 -0.294 0.000 1.064 84 M CA 1.988 56.961 55.300 -0.544 0.000 1.102 84 M CB -0.887 31.185 32.600 -0.879 0.000 1.369 84 M HN 0.447 nan 8.290 nan 0.000 0.408 85 H N 0.208 119.192 119.070 -0.143 0.000 2.423 85 H HA -0.037 4.519 4.556 -0.000 0.000 0.297 85 H C 1.923 177.210 175.328 -0.069 0.000 1.075 85 H CA 1.407 57.405 56.048 -0.083 0.000 1.342 85 H CB -0.088 29.631 29.762 -0.071 0.000 1.395 85 H HN 0.494 nan 8.280 nan 0.000 0.530 86 K N 0.375 120.779 120.400 0.007 0.000 2.128 86 K HA 0.108 4.428 4.320 -0.000 0.000 0.202 86 K C 0.467 177.002 176.600 -0.108 0.000 1.050 86 K CA 0.284 56.537 56.287 -0.056 0.000 0.966 86 K CB 0.693 33.130 32.500 -0.105 0.000 0.759 86 K HN -0.110 nan 8.250 nan 0.000 0.454 87 V N 3.001 122.814 119.914 -0.169 0.000 2.350 87 V HA 0.118 4.238 4.120 -0.000 0.000 0.276 87 V C -0.211 175.909 176.094 0.044 0.000 1.028 87 V CA -0.713 61.488 62.300 -0.165 0.000 0.860 87 V CB 1.076 32.640 31.823 -0.432 0.000 0.990 87 V HN 0.184 nan 8.190 nan 0.000 0.453 88 E N 3.871 124.096 120.200 0.043 0.000 2.289 88 E HA 0.658 5.008 4.350 -0.000 0.000 0.278 88 E C -0.295 176.294 176.600 -0.019 0.000 1.032 88 E CA -0.105 56.337 56.400 0.068 0.000 0.854 88 E CB 1.228 30.956 29.700 0.048 0.000 1.046 88 E HN 0.883 nan 8.360 nan 0.000 0.409 89 A N 3.906 126.672 122.820 -0.090 0.000 2.586 89 A HA 0.240 4.560 4.320 -0.000 0.000 0.291 89 A C -0.616 176.829 177.584 -0.231 0.000 1.062 89 A CA -0.669 51.180 52.037 -0.313 0.000 0.666 89 A CB 1.241 19.792 19.000 -0.749 0.000 1.281 89 A HN 0.711 nan 8.150 nan 0.000 0.421 90 D N -0.242 120.049 120.400 -0.182 0.000 2.324 90 D HA 0.206 4.846 4.640 -0.000 0.000 0.212 90 D C 0.095 176.368 176.300 -0.045 0.000 0.984 90 D CA 1.324 55.290 54.000 -0.055 0.000 0.885 90 D CB 0.489 41.273 40.800 -0.026 0.000 0.996 90 D HN 0.467 nan 8.370 nan 0.000 0.505 91 I N 0.837 121.308 120.570 -0.164 0.000 2.447 91 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 91 I C -1.286 174.709 176.117 -0.204 0.000 1.023 91 I CA -0.814 60.445 61.300 -0.069 0.000 1.083 91 I CB 1.745 39.730 38.000 -0.026 0.000 1.245 91 I HN -0.256 nan 8.210 nan 0.000 0.434 92 Y N 6.316 126.668 120.300 0.086 0.000 2.331 92 Y HA 0.563 5.113 4.550 -0.000 0.000 0.338 92 Y C 0.052 176.039 175.900 0.146 0.000 0.992 92 Y CA -0.617 57.540 58.100 0.094 0.000 1.121 92 Y CB 1.496 39.994 38.460 0.063 0.000 1.184 92 Y HN 0.327 nan 8.280 nan 0.000 0.469 93 I N 3.275 123.979 120.570 0.224 0.000 2.354 93 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 93 I C -0.547 175.691 176.117 0.202 0.000 0.989 93 I CA -0.718 60.688 61.300 0.177 0.000 1.188 93 I CB 1.345 39.396 38.000 0.084 0.000 1.342 93 I HN 0.564 nan 8.210 nan 0.000 0.457 94 N N 7.214 126.055 118.700 0.235 0.000 2.457 94 N HA 0.465 5.205 4.740 -0.000 0.000 0.250 94 N C -1.260 174.350 175.510 0.167 0.000 0.982 94 N CA -0.191 52.993 53.050 0.224 0.000 0.941 94 N CB 0.777 39.456 38.487 0.320 0.000 1.120 94 N HN 0.465 nan 8.380 nan 0.000 0.505 95 L N 2.219 123.516 121.223 0.123 0.000 2.325 95 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 95 L C 0.110 177.033 176.870 0.089 0.000 1.023 95 L CA -1.076 53.816 54.840 0.087 0.000 0.811 95 L CB 1.656 43.754 42.059 0.065 0.000 1.249 95 L HN 0.328 nan 8.230 nan 0.000 0.431 96 Q N 1.481 121.323 119.800 0.069 0.000 2.304 96 Q HA 0.110 4.450 4.340 -0.000 0.000 0.260 96 Q C 0.941 176.981 176.000 0.067 0.000 0.965 96 Q CA 0.072 55.914 55.803 0.065 0.000 0.898 96 Q CB 1.352 30.116 28.738 0.043 0.000 1.196 96 Q HN 0.877 nan 8.270 nan 0.000 0.402 97 G N 2.205 111.051 108.800 0.076 0.000 2.598 97 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 97 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 97 G C 0.436 175.377 174.900 0.067 0.000 1.131 97 G CA 0.482 45.634 45.100 0.087 0.000 0.785 97 G HN 0.629 nan 8.290 nan 0.000 0.539 98 D N -0.536 119.892 120.400 0.047 0.000 2.402 98 D HA 0.072 4.712 4.640 -0.000 0.000 0.216 98 D C 0.392 176.702 176.300 0.017 0.000 1.128 98 D CA -0.241 53.776 54.000 0.029 0.000 0.833 98 D CB 0.005 40.816 40.800 0.018 0.000 0.971 98 D HN 0.259 nan 8.370 nan 0.000 0.503 99 E N 1.616 121.828 120.200 0.020 0.000 2.751 99 E HA 0.148 4.498 4.350 -0.000 0.000 0.219 99 E C -1.816 174.787 176.600 0.005 0.000 1.060 99 E CA -1.633 54.770 56.400 0.005 0.000 0.893 99 E CB 1.583 31.284 29.700 0.001 0.000 1.300 99 E HN 0.106 nan 8.360 nan 0.000 0.433 100 P HA -0.116 nan 4.420 nan 0.000 0.230 100 P C 0.817 178.096 177.300 -0.036 0.000 1.158 100 P CA 0.888 63.983 63.100 -0.009 0.000 0.769 100 P CB 0.242 31.905 31.700 -0.062 0.000 0.807 101 M N -0.737 118.837 119.600 -0.044 0.000 2.493 101 M HA 0.131 4.611 4.480 -0.000 0.000 0.244 101 M C 0.674 176.954 176.300 -0.034 0.000 1.182 101 M CA -0.839 54.432 55.300 -0.048 0.000 0.981 101 M CB -0.191 32.374 32.600 -0.058 0.000 1.551 101 M HN -0.122 nan 8.290 nan 0.000 0.476 102 I N 1.930 122.487 120.570 -0.022 0.000 2.775 102 I HA -0.064 4.106 4.170 -0.000 0.000 0.290 102 I C 0.283 176.386 176.117 -0.023 0.000 1.203 102 I CA 0.583 61.870 61.300 -0.020 0.000 1.433 102 I CB 0.361 38.355 38.000 -0.010 0.000 1.354 102 I HN 0.207 nan 8.210 nan 0.000 0.579 103 R N 8.191 128.675 120.500 -0.028 0.000 2.229 103 R HA 0.278 4.618 4.340 -0.000 0.000 0.328 103 R C -1.781 174.501 176.300 -0.029 0.000 1.009 103 R CA -1.381 54.702 56.100 -0.029 0.000 0.864 103 R CB 0.594 30.874 30.300 -0.033 0.000 1.085 103 R HN 0.489 nan 8.270 nan 0.000 0.453 104 P HA -0.175 nan 4.420 nan 0.000 0.217 104 P C 0.982 178.260 177.300 -0.036 0.000 1.148 104 P CA 1.053 64.134 63.100 -0.032 0.000 0.828 104 P CB 0.302 31.985 31.700 -0.029 0.000 0.783 105 R N -0.250 120.230 120.500 -0.035 0.000 2.096 105 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 105 R C 1.689 177.962 176.300 -0.045 0.000 1.127 105 R CA 1.488 57.565 56.100 -0.038 0.000 0.968 105 R CB -1.299 28.981 30.300 -0.032 0.000 0.861 105 R HN 0.161 nan 8.270 nan 0.000 0.440 106 D N -0.873 119.503 120.400 -0.040 0.000 2.144 106 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 106 D C 1.757 178.024 176.300 -0.056 0.000 0.978 106 D CA 1.134 55.109 54.000 -0.040 0.000 0.833 106 D CB -0.082 40.701 40.800 -0.028 0.000 0.961 106 D HN 0.044 nan 8.370 nan 0.000 0.470 107 V N 1.098 120.981 119.914 -0.051 0.000 2.515 107 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 107 V C 2.166 178.214 176.094 -0.077 0.000 1.058 107 V CA 1.412 63.679 62.300 -0.055 0.000 1.064 107 V CB -0.482 31.317 31.823 -0.040 0.000 0.675 107 V HN 0.193 nan 8.190 nan 0.000 0.461 108 E N 0.118 120.273 120.200 -0.075 0.000 2.150 108 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 108 E C 2.297 178.820 176.600 -0.129 0.000 0.985 108 E CA 1.657 58.006 56.400 -0.086 0.000 0.814 108 E CB -0.266 29.395 29.700 -0.066 0.000 0.752 108 E HN 0.573 nan 8.360 nan 0.000 0.466 109 T N 1.646 116.113 114.554 -0.145 0.000 2.746 109 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 109 T C 1.830 176.280 174.700 -0.416 0.000 1.039 109 T CA 0.803 62.768 62.100 -0.226 0.000 1.142 109 T CB -0.209 68.561 68.868 -0.163 0.000 0.866 109 T HN 0.034 nan 8.240 nan 0.000 0.444 110 L N 0.775 121.805 121.223 -0.321 0.000 2.017 110 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 110 L C 2.188 178.892 176.870 -0.275 0.000 1.073 110 L CA 1.507 56.145 54.840 -0.336 0.000 0.745 110 L CB -0.649 41.333 42.059 -0.129 0.000 0.894 110 L HN 0.241 nan 8.230 nan 0.000 0.432 111 L N -1.163 119.954 121.223 -0.176 0.000 2.093 111 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 111 L C 2.565 179.357 176.870 -0.130 0.000 1.085 111 L CA 1.338 56.109 54.840 -0.116 0.000 0.755 111 L CB -0.193 41.817 42.059 -0.081 0.000 0.904 111 L HN 0.417 nan 8.230 nan 0.000 0.435 112 Q N -0.138 119.559 119.800 -0.172 0.000 2.119 112 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 112 Q C 1.932 177.834 176.000 -0.162 0.000 0.972 112 Q CA 1.815 57.531 55.803 -0.144 0.000 0.847 112 Q CB -0.486 28.167 28.738 -0.141 0.000 0.903 112 Q HN 0.464 nan 8.270 nan 0.000 0.433 113 G N 0.009 108.606 108.800 -0.337 0.000 2.418 113 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 113 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 113 G C 1.305 176.211 174.900 0.011 0.000 1.158 113 G CA 1.009 45.948 45.100 -0.269 0.000 0.771 113 G HN 0.271 nan 8.290 nan 0.000 0.545 114 M N 0.205 119.790 119.600 -0.025 0.000 2.132 114 M HA 0.040 4.520 4.480 -0.000 0.000 0.263 114 M C 2.598 178.915 176.300 0.028 0.000 1.065 114 M CA 1.065 56.389 55.300 0.039 0.000 1.122 114 M CB -0.841 31.773 32.600 0.024 0.000 1.365 114 M HN 0.203 nan 8.290 nan 0.000 0.411 115 R N -0.003 120.495 120.500 -0.003 0.000 2.148 115 R HA -0.107 4.233 4.340 -0.000 0.000 0.223 115 R C 1.345 177.653 176.300 0.012 0.000 1.088 115 R CA 0.920 57.020 56.100 0.001 0.000 0.985 115 R CB -0.162 30.128 30.300 -0.016 0.000 0.880 115 R HN 0.346 nan 8.270 nan 0.000 0.451 116 D N 0.137 120.547 120.400 0.017 0.000 2.347 116 D HA -0.060 4.580 4.640 -0.000 0.000 0.215 116 D C -0.249 176.081 176.300 0.049 0.000 0.976 116 D CA 1.045 55.064 54.000 0.031 0.000 0.884 116 D CB 0.120 40.942 40.800 0.036 0.000 0.915 116 D HN 0.036 nan 8.370 nan 0.000 0.526 117 D N -1.201 119.236 120.400 0.061 0.000 2.336 117 D HA 0.172 4.812 4.640 -0.000 0.000 0.248 117 D C -2.168 174.168 176.300 0.060 0.000 1.326 117 D CA -1.869 52.169 54.000 0.065 0.000 0.973 117 D CB 1.722 42.574 40.800 0.086 0.000 1.255 117 D HN -0.231 nan 8.370 nan 0.000 0.558 118 P HA -0.017 nan 4.420 nan 0.000 0.221 118 P C 0.879 178.209 177.300 0.050 0.000 1.145 118 P CA 0.772 63.898 63.100 0.044 0.000 0.795 118 P CB 0.404 32.125 31.700 0.034 0.000 0.775 119 A N -1.273 121.577 122.820 0.050 0.000 2.169 119 A HA 0.046 4.366 4.320 -0.000 0.000 0.212 119 A C 0.901 178.522 177.584 0.061 0.000 1.153 119 A CA 0.021 52.089 52.037 0.051 0.000 0.756 119 A CB -0.922 18.103 19.000 0.042 0.000 0.813 119 A HN 0.141 nan 8.150 nan 0.000 0.471 120 L N 1.036 122.301 121.223 0.071 0.000 2.433 120 L HA 0.301 4.641 4.340 -0.000 0.000 0.275 120 L C -1.771 175.155 176.870 0.094 0.000 1.128 120 L CA -1.592 53.300 54.840 0.085 0.000 0.875 120 L CB 0.967 43.091 42.059 0.109 0.000 1.171 120 L HN -0.014 nan 8.230 nan 0.000 0.463 121 P HA 0.015 nan 4.420 nan 0.000 0.216 121 P C -0.687 176.693 177.300 0.132 0.000 1.156 121 P CA 0.613 63.782 63.100 0.116 0.000 0.855 121 P CB 0.343 32.111 31.700 0.114 0.000 0.786 122 V N -1.324 118.658 119.914 0.113 0.000 2.925 122 V HA 0.756 4.876 4.120 -0.000 0.000 0.311 122 V C -0.685 175.467 176.094 0.097 0.000 1.104 122 V CA -1.026 61.316 62.300 0.070 0.000 0.954 122 V CB 1.905 33.766 31.823 0.062 0.000 1.022 122 V HN 0.067 nan 8.190 nan 0.000 0.427 123 A N 1.860 124.734 122.820 0.090 0.000 2.475 123 A HA 0.962 5.281 4.320 -0.000 0.000 0.301 123 A C -0.564 177.105 177.584 0.141 0.000 1.059 123 A CA -0.441 51.711 52.037 0.192 0.000 0.710 123 A CB 2.354 21.547 19.000 0.323 0.000 1.288 123 A HN 0.861 nan 8.150 nan 0.000 0.408 124 T N 0.449 115.109 114.554 0.177 0.000 2.681 124 T HA 0.719 5.069 4.350 -0.000 0.000 0.296 124 T C -1.368 173.421 174.700 0.148 0.000 1.157 124 T CA -0.409 61.728 62.100 0.062 0.000 1.025 124 T CB 0.813 69.680 68.868 -0.002 0.000 1.441 124 T HN 0.602 nan 8.240 nan 0.000 0.504 125 L N 1.244 122.503 121.223 0.060 0.000 2.319 125 L HA 0.886 5.226 4.340 -0.000 0.000 0.267 125 L C -0.411 176.521 176.870 0.104 0.000 1.011 125 L CA -0.977 53.919 54.840 0.092 0.000 0.818 125 L CB 2.011 44.087 42.059 0.028 0.000 1.316 125 L HN 1.005 nan 8.230 nan 0.000 0.432 126 C N -0.447 118.918 119.300 0.107 0.000 3.285 126 C HA 0.848 5.308 4.460 -0.000 0.000 0.325 126 C C -1.065 173.994 174.990 0.115 0.000 1.304 126 C CA -0.714 58.350 59.018 0.076 0.000 1.319 126 C CB 1.220 28.998 27.740 0.064 0.000 1.640 126 C HN 1.001 nan 8.230 nan 0.000 0.477 127 H N 0.295 119.387 119.070 0.036 0.000 3.012 127 H HA 0.807 5.363 4.556 -0.000 0.000 0.367 127 H C -0.426 174.922 175.328 0.034 0.000 1.211 127 H CA 0.083 56.147 56.048 0.027 0.000 1.139 127 H CB 1.018 30.789 29.762 0.015 0.000 1.838 127 H HN 1.357 nan 8.280 nan 0.000 0.550 128 A N 2.503 125.435 122.820 0.186 0.000 2.511 128 A HA 0.498 4.818 4.320 -0.000 0.000 0.242 128 A C 0.225 177.910 177.584 0.169 0.000 1.069 128 A CA 0.218 52.330 52.037 0.125 0.000 0.763 128 A CB -0.811 18.250 19.000 0.102 0.000 1.001 128 A HN 0.801 nan 8.150 nan 0.000 0.498 129 I N -0.359 120.274 120.570 0.104 0.000 3.042 129 I HA 0.721 4.891 4.170 -0.000 0.000 0.310 129 I C 0.225 176.404 176.117 0.104 0.000 1.117 129 I CA -0.785 60.573 61.300 0.096 0.000 1.003 129 I CB 2.129 40.145 38.000 0.026 0.000 1.228 129 I HN 0.609 nan 8.210 nan 0.000 0.443 130 S N 2.352 118.088 115.700 0.060 0.000 2.645 130 S HA 0.568 5.038 4.470 -0.000 0.000 0.266 130 S C 1.167 175.750 174.600 -0.028 0.000 1.258 130 S CA -0.073 58.155 58.200 0.047 0.000 0.990 130 S CB 1.502 64.713 63.200 0.019 0.000 0.967 130 S HN 1.008 nan 8.310 nan 0.000 0.556 131 A N 1.142 123.942 122.820 -0.033 0.000 1.933 131 A HA 0.189 4.508 4.320 -0.000 0.000 0.218 131 A C 2.369 179.801 177.584 -0.252 0.000 1.175 131 A CA 1.661 53.559 52.037 -0.233 0.000 0.628 131 A CB -1.669 17.296 19.000 -0.058 0.000 0.814 131 A HN 1.319 nan 8.150 nan 0.000 0.444 132 A N -0.215 122.530 122.820 -0.126 0.000 1.902 132 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 132 A C 1.950 179.470 177.584 -0.106 0.000 1.181 132 A CA 1.617 53.594 52.037 -0.100 0.000 0.623 132 A CB -0.477 18.490 19.000 -0.054 0.000 0.818 132 A HN 0.622 nan 8.150 nan 0.000 0.443 133 E N -0.426 119.717 120.200 -0.096 0.000 2.106 133 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 133 E C 2.225 178.752 176.600 -0.121 0.000 0.984 133 E CA 0.771 57.125 56.400 -0.077 0.000 0.806 133 E CB -0.243 29.436 29.700 -0.036 0.000 0.750 133 E HN 0.608 nan 8.360 nan 0.000 0.458 134 A N 1.308 123.992 122.820 -0.226 0.000 2.070 134 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 134 A C 2.291 179.727 177.584 -0.246 0.000 1.159 134 A CA 1.344 53.194 52.037 -0.313 0.000 0.656 134 A CB -0.368 18.164 19.000 -0.781 0.000 0.800 134 A HN 0.272 nan 8.150 nan 0.000 0.453 135 A N -0.474 122.220 122.820 -0.209 0.000 2.067 135 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 135 A C 0.810 178.352 177.584 -0.069 0.000 1.158 135 A CA 0.466 52.424 52.037 -0.131 0.000 0.661 135 A CB -0.137 18.797 19.000 -0.110 0.000 0.801 135 A HN 0.388 nan 8.150 nan 0.000 0.452 136 E N 0.520 120.684 120.200 -0.061 0.000 2.299 136 E HA 0.111 4.461 4.350 -0.000 0.000 0.272 136 E C -1.653 174.939 176.600 -0.013 0.000 1.043 136 E CA -2.191 54.192 56.400 -0.029 0.000 0.895 136 E CB 0.694 30.379 29.700 -0.024 0.000 1.011 136 E HN 0.301 nan 8.360 nan 0.000 0.432 137 P HA -0.132 nan 4.420 nan 0.000 0.222 137 P C 0.975 178.287 177.300 0.021 0.000 1.147 137 P CA 0.884 63.994 63.100 0.017 0.000 0.790 137 P CB 0.361 32.074 31.700 0.021 0.000 0.780 138 S N -1.833 113.876 115.700 0.015 0.000 2.453 138 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 138 S C 1.059 175.671 174.600 0.021 0.000 1.005 138 S CA 0.462 58.673 58.200 0.018 0.000 0.949 138 S CB -1.338 61.869 63.200 0.013 0.000 0.774 138 S HN 0.058 nan 8.310 nan 0.000 0.510 139 T N 2.843 117.406 114.554 0.015 0.000 2.806 139 T HA 0.518 4.868 4.350 -0.000 0.000 0.290 139 T C -0.454 174.268 174.700 0.037 0.000 0.966 139 T CA -0.467 61.643 62.100 0.016 0.000 1.060 139 T CB 1.571 70.434 68.868 -0.007 0.000 0.927 139 T HN 0.052 nan 8.240 nan 0.000 0.485 140 V N 4.882 124.837 119.914 0.068 0.000 2.406 140 V HA 0.356 4.476 4.120 -0.000 0.000 0.272 140 V C 0.242 176.411 176.094 0.126 0.000 1.043 140 V CA -0.698 61.672 62.300 0.117 0.000 0.915 140 V CB 1.040 32.982 31.823 0.199 0.000 0.988 140 V HN 0.662 nan 8.190 nan 0.000 0.466 141 K N 3.091 123.548 120.400 0.096 0.000 2.095 141 K HA 0.768 5.088 4.320 -0.000 0.000 0.252 141 K C -0.764 175.845 176.600 0.014 0.000 0.977 141 K CA -0.417 55.916 56.287 0.078 0.000 0.900 141 K CB 1.967 34.533 32.500 0.111 0.000 1.060 141 K HN 0.436 nan 8.250 nan 0.000 0.449 142 V N 1.555 121.428 119.914 -0.069 0.000 2.888 142 V HA 0.603 4.723 4.120 -0.000 0.000 0.309 142 V C -1.657 174.308 176.094 -0.216 0.000 1.114 142 V CA -0.734 61.384 62.300 -0.303 0.000 0.940 142 V CB 2.208 33.737 31.823 -0.489 0.000 1.021 142 V HN 0.391 nan 8.190 nan 0.000 0.426 143 V N 6.340 126.106 119.914 -0.246 0.000 2.540 143 V HA 0.718 4.838 4.120 -0.000 0.000 0.302 143 V C -0.164 175.818 176.094 -0.187 0.000 1.035 143 V CA -0.206 62.000 62.300 -0.157 0.000 0.873 143 V CB 1.875 33.650 31.823 -0.079 0.000 0.992 143 V HN 1.013 nan 8.190 nan 0.000 0.428 144 V N 2.000 121.823 119.914 -0.151 0.000 3.046 144 V HA 0.809 4.929 4.120 -0.000 0.000 0.316 144 V C -0.312 175.721 176.094 -0.101 0.000 1.104 144 V CA -0.812 61.403 62.300 -0.142 0.000 1.006 144 V CB 2.062 33.795 31.823 -0.149 0.000 1.058 144 V HN 0.907 nan 8.190 nan 0.000 0.440 145 N N 0.226 118.873 118.700 -0.089 0.000 2.566 145 N HA 0.304 5.044 4.740 -0.000 0.000 0.299 145 N C 1.115 176.585 175.510 -0.066 0.000 1.277 145 N CA 0.211 53.221 53.050 -0.067 0.000 0.965 145 N CB -0.222 38.234 38.487 -0.053 0.000 1.142 145 N HN 0.874 nan 8.380 nan 0.000 0.596 146 T N -2.557 111.966 114.554 -0.051 0.000 2.833 146 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 146 T C 1.351 176.020 174.700 -0.052 0.000 1.054 146 T CA 1.004 63.077 62.100 -0.046 0.000 1.135 146 T CB -0.304 68.545 68.868 -0.033 0.000 0.869 146 T HN 0.474 nan 8.240 nan 0.000 0.466 147 R N 1.079 121.545 120.500 -0.057 0.000 2.313 147 R HA 0.177 4.517 4.340 -0.000 0.000 0.199 147 R C 0.660 176.892 176.300 -0.114 0.000 0.958 147 R CA 0.150 56.211 56.100 -0.065 0.000 1.047 147 R CB -0.186 30.085 30.300 -0.049 0.000 0.955 147 R HN 0.543 nan 8.270 nan 0.000 0.481 148 Q N 0.121 119.846 119.800 -0.125 0.000 2.465 148 Q HA -0.153 4.187 4.340 -0.000 0.000 0.248 148 Q C -1.039 174.843 176.000 -0.197 0.000 0.819 148 Q CA 0.751 56.446 55.803 -0.181 0.000 1.219 148 Q CB -1.003 27.576 28.738 -0.264 0.000 1.472 148 Q HN 0.340 nan 8.270 nan 0.000 0.630 149 D N 0.368 120.686 120.400 -0.137 0.000 2.302 149 D HA 0.426 5.066 4.640 -0.000 0.000 0.248 149 D C 0.268 176.499 176.300 -0.116 0.000 1.094 149 D CA 0.295 54.231 54.000 -0.107 0.000 0.897 149 D CB 0.877 41.642 40.800 -0.059 0.000 1.200 149 D HN 0.326 nan 8.370 nan 0.000 0.429 150 A N 2.461 125.209 122.820 -0.120 0.000 2.440 150 A HA 0.196 4.516 4.320 -0.000 0.000 0.251 150 A C 1.206 178.713 177.584 -0.129 0.000 1.089 150 A CA -0.176 51.727 52.037 -0.225 0.000 0.779 150 A CB 0.188 18.959 19.000 -0.382 0.000 1.022 150 A HN 0.692 nan 8.150 nan 0.000 0.492 151 L N 0.876 122.017 121.223 -0.136 0.000 2.221 151 L HA 0.222 4.562 4.340 -0.000 0.000 0.202 151 L C 0.219 177.141 176.870 0.086 0.000 1.074 151 L CA 0.786 55.612 54.840 -0.023 0.000 0.795 151 L CB -0.043 42.002 42.059 -0.023 0.000 0.960 151 L HN 0.783 nan 8.230 nan 0.000 0.458 152 Y N -1.370 118.809 120.300 -0.202 0.000 2.620 152 Y HA 0.427 4.977 4.550 -0.000 0.000 0.331 152 Y C -1.746 173.998 175.900 -0.259 0.000 1.173 152 Y CA -1.800 56.234 58.100 -0.110 0.000 1.076 152 Y CB 1.169 39.612 38.460 -0.027 0.000 1.336 152 Y HN -0.218 nan 8.280 nan 0.000 0.459 153 F N 2.658 122.148 119.950 -0.767 0.000 2.495 153 F HA 0.759 5.286 4.527 -0.000 0.000 0.327 153 F C 0.094 175.438 175.800 -0.760 0.000 1.103 153 F CA -0.525 57.142 58.000 -0.556 0.000 0.949 153 F CB 2.276 41.028 39.000 -0.413 0.000 1.142 153 F HN 0.382 nan 8.300 nan 0.000 0.457 154 S N 1.405 117.015 115.700 -0.149 0.000 2.565 154 S HA 0.444 4.914 4.470 -0.000 0.000 0.269 154 S C 0.220 174.850 174.600 0.049 0.000 1.153 154 S CA -0.773 57.397 58.200 -0.050 0.000 0.835 154 S CB 1.489 64.762 63.200 0.122 0.000 1.122 154 S HN 0.730 nan 8.310 nan 0.000 0.462 155 R N 0.808 121.347 120.500 0.065 0.000 2.246 155 R HA 0.233 4.573 4.340 -0.000 0.000 0.199 155 R C 0.353 176.694 176.300 0.068 0.000 0.984 155 R CA 0.224 56.361 56.100 0.061 0.000 1.015 155 R CB 0.027 30.359 30.300 0.054 0.000 0.930 155 R HN 0.423 nan 8.270 nan 0.000 0.475 156 S N 1.840 117.600 115.700 0.100 0.000 2.580 156 S HA 0.191 4.661 4.470 -0.000 0.000 0.274 156 S C -2.366 172.305 174.600 0.120 0.000 1.329 156 S CA -1.061 57.206 58.200 0.112 0.000 1.036 156 S CB 1.190 64.479 63.200 0.147 0.000 0.919 156 S HN -0.081 nan 8.310 nan 0.000 0.515 157 P HA 0.235 nan 4.420 nan 0.000 0.269 157 P C -0.791 176.665 177.300 0.259 0.000 1.252 157 P CA 0.020 63.191 63.100 0.118 0.000 0.780 157 P CB -0.224 31.480 31.700 0.007 0.000 0.829 158 I N 2.120 122.873 120.570 0.305 0.000 2.545 158 I HA 0.681 4.851 4.170 -0.000 0.000 0.292 158 I C -2.665 173.552 176.117 0.167 0.000 1.040 158 I CA -3.313 58.131 61.300 0.240 0.000 1.068 158 I CB 2.794 40.906 38.000 0.187 0.000 1.251 158 I HN 0.072 nan 8.210 nan 0.000 0.424 159 P HA 0.045 nan 4.420 nan 0.000 0.274 159 P C -1.103 176.280 177.300 0.139 0.000 1.237 159 P CA 0.030 63.150 63.100 0.033 0.000 0.793 159 P CB 0.650 32.305 31.700 -0.075 0.000 0.977 160 Y N 4.047 124.387 120.300 0.066 0.000 2.511 160 Y HA 0.107 4.657 4.550 -0.000 0.000 0.332 160 Y C -1.285 174.662 175.900 0.078 0.000 1.177 160 Y CA -1.388 56.765 58.100 0.087 0.000 1.422 160 Y CB 0.060 38.551 38.460 0.051 0.000 1.271 160 Y HN 0.265 nan 8.280 nan 0.000 0.550 161 P HA 0.109 nan 4.420 nan 0.000 0.220 161 P C -0.015 177.131 177.300 -0.257 0.000 1.806 161 P CA -0.024 62.908 63.100 -0.281 0.000 0.976 161 P CB 0.491 32.066 31.700 -0.207 0.000 1.952 162 R N 2.568 123.076 120.500 0.014 0.000 2.062 162 R HA 0.005 4.345 4.340 -0.000 0.000 0.231 162 R C 0.662 176.995 176.300 0.055 0.000 1.136 162 R CA 1.421 57.616 56.100 0.159 0.000 0.948 162 R CB -0.291 30.149 30.300 0.233 0.000 0.845 162 R HN 0.150 nan 8.270 nan 0.000 0.430 163 N N 0.718 119.436 118.700 0.031 0.000 3.091 163 N HA 0.184 4.924 4.740 -0.000 0.000 0.255 163 N C -0.040 175.465 175.510 -0.007 0.000 1.204 163 N CA 0.542 53.599 53.050 0.011 0.000 0.990 163 N CB 1.448 39.942 38.487 0.010 0.000 1.260 163 N HN 0.310 nan 8.380 nan 0.000 0.502 164 A N 1.867 124.678 122.820 -0.015 0.000 1.940 164 A HA -0.281 4.039 4.320 -0.000 0.000 0.221 164 A C 1.734 179.319 177.584 0.001 0.000 1.190 164 A CA 1.790 53.820 52.037 -0.012 0.000 0.647 164 A CB -0.210 18.781 19.000 -0.015 0.000 0.821 164 A HN 0.511 nan 8.150 nan 0.000 0.457 165 E N 0.071 120.270 120.200 -0.002 0.000 2.338 165 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 165 E C 1.569 178.162 176.600 -0.011 0.000 1.007 165 E CA 1.109 57.509 56.400 -0.001 0.000 0.849 165 E CB -0.070 29.629 29.700 -0.001 0.000 0.774 165 E HN 0.482 nan 8.360 nan 0.000 0.506 166 K N 0.360 120.747 120.400 -0.022 0.000 2.379 166 K HA 0.278 4.598 4.320 -0.000 0.000 0.194 166 K C 0.532 177.088 176.600 -0.074 0.000 1.031 166 K CA 0.385 56.650 56.287 -0.038 0.000 1.037 166 K CB 0.307 32.788 32.500 -0.032 0.000 0.824 166 K HN 0.150 nan 8.250 nan 0.000 0.516 167 A N 2.058 124.824 122.820 -0.092 0.000 2.440 167 A HA 0.292 4.612 4.320 -0.000 0.000 0.251 167 A C -0.130 177.304 177.584 -0.249 0.000 1.089 167 A CA -0.092 51.815 52.037 -0.217 0.000 0.779 167 A CB 0.189 19.055 19.000 -0.224 0.000 1.022 167 A HN 0.208 nan 8.150 nan 0.000 0.492 168 R N 2.109 122.378 120.500 -0.385 0.000 2.502 168 R HA 0.506 4.846 4.340 -0.000 0.000 0.300 168 R C -1.948 174.100 176.300 -0.419 0.000 0.984 168 R CA -0.418 55.528 56.100 -0.257 0.000 0.882 168 R CB 0.961 31.182 30.300 -0.132 0.000 1.180 168 R HN 0.734 nan 8.270 nan 0.000 0.444 169 Y N 3.918 124.203 120.300 -0.025 0.000 2.361 169 Y HA 0.445 4.995 4.550 -0.000 0.000 0.332 169 Y C -0.032 175.843 175.900 -0.043 0.000 1.101 169 Y CA -0.638 57.442 58.100 -0.033 0.000 1.137 169 Y CB 1.628 40.069 38.460 -0.031 0.000 1.207 169 Y HN 0.306 nan 8.280 nan 0.000 0.463 170 L N 3.667 124.938 121.223 0.080 0.000 2.356 170 L HA 0.478 4.818 4.340 -0.000 0.000 0.277 170 L C -0.493 176.364 176.870 -0.022 0.000 0.996 170 L CA -0.912 53.928 54.840 -0.001 0.000 0.822 170 L CB 1.963 44.002 42.059 -0.033 0.000 1.256 170 L HN 0.519 nan 8.230 nan 0.000 0.413 171 K N 1.948 122.261 120.400 -0.145 0.000 2.156 171 K HA 0.266 4.586 4.320 -0.000 0.000 0.271 171 K C -0.694 175.850 176.600 -0.093 0.000 0.995 171 K CA -0.685 55.502 56.287 -0.167 0.000 0.890 171 K CB 0.960 33.230 32.500 -0.384 0.000 1.073 171 K HN 0.514 nan 8.250 nan 0.000 0.454 172 H N 2.819 121.858 119.070 -0.051 0.000 2.767 172 H HA 0.200 4.756 4.556 -0.000 0.000 0.316 172 H C -1.196 174.119 175.328 -0.021 0.000 1.059 172 H CA -0.201 55.860 56.048 0.022 0.000 1.461 172 H CB 0.667 30.533 29.762 0.173 0.000 1.475 172 H HN 0.217 nan 8.280 nan 0.000 0.531 173 V N 5.716 125.378 119.914 -0.421 0.000 2.333 173 V HA 0.205 4.325 4.120 -0.000 0.000 0.274 173 V C 1.370 177.041 176.094 -0.706 0.000 1.028 173 V CA -0.044 62.025 62.300 -0.386 0.000 0.851 173 V CB 1.302 33.059 31.823 -0.110 0.000 1.000 173 V HN 1.090 nan 8.190 nan 0.000 0.456 174 G N 6.073 114.501 108.800 -0.620 0.000 3.272 174 G HA2 0.070 4.030 3.960 -0.000 0.000 0.220 174 G HA3 0.070 4.030 3.960 -0.000 0.000 0.220 174 G C 0.182 174.880 174.900 -0.336 0.000 1.130 174 G CA 0.175 44.974 45.100 -0.501 0.000 1.657 174 G HN 0.624 nan 8.290 nan 0.000 0.557 175 I N -0.068 120.243 120.570 -0.432 0.000 2.404 175 I HA 0.434 4.604 4.170 -0.000 0.000 0.293 175 I C -0.802 175.112 176.117 -0.339 0.000 0.992 175 I CA -0.997 60.177 61.300 -0.210 0.000 1.149 175 I CB 1.622 39.554 38.000 -0.114 0.000 1.315 175 I HN 0.031 nan 8.210 nan 0.000 0.446 176 Y N 3.907 124.177 120.300 -0.050 0.000 2.536 176 Y HA 0.753 5.303 4.550 -0.000 0.000 0.347 176 Y C 0.034 175.808 175.900 -0.210 0.000 1.000 176 Y CA -1.039 56.941 58.100 -0.200 0.000 1.051 176 Y CB 2.095 40.283 38.460 -0.454 0.000 1.259 176 Y HN 0.522 nan 8.280 nan 0.000 0.468 177 A N 2.082 124.836 122.820 -0.110 0.000 2.335 177 A HA 0.774 5.094 4.320 -0.000 0.000 0.304 177 A C -2.051 175.472 177.584 -0.101 0.000 1.118 177 A CA -0.603 51.419 52.037 -0.026 0.000 0.757 177 A CB 0.176 19.188 19.000 0.021 0.000 1.188 177 A HN 0.688 nan 8.150 nan 0.000 0.460 178 Y N 0.934 121.320 120.300 0.143 0.000 2.393 178 Y HA 0.641 5.191 4.550 -0.000 0.000 0.341 178 Y C 0.632 176.619 175.900 0.145 0.000 0.988 178 Y CA -0.744 57.426 58.100 0.116 0.000 1.078 178 Y CB 1.606 40.092 38.460 0.044 0.000 1.203 178 Y HN 0.795 nan 8.280 nan 0.000 0.453 179 R N 1.284 121.949 120.500 0.274 0.000 2.641 179 R HA 0.204 4.544 4.340 -0.000 0.000 0.269 179 R C 1.567 178.001 176.300 0.223 0.000 1.074 179 R CA -0.095 56.126 56.100 0.202 0.000 1.133 179 R CB 0.468 30.854 30.300 0.143 0.000 1.029 179 R HN 0.805 nan 8.270 nan 0.000 0.488 180 R N 1.481 122.114 120.500 0.221 0.000 2.096 180 R HA -0.226 4.114 4.340 -0.000 0.000 0.240 180 R C 0.946 177.297 176.300 0.085 0.000 1.139 180 R CA 2.568 58.798 56.100 0.216 0.000 0.952 180 R CB -0.294 30.136 30.300 0.216 0.000 0.854 180 R HN 0.899 nan 8.270 nan 0.000 0.436 181 D N -0.647 119.802 120.400 0.082 0.000 2.182 181 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 181 D C 1.769 178.099 176.300 0.051 0.000 0.986 181 D CA 1.144 55.177 54.000 0.056 0.000 0.847 181 D CB -0.217 40.619 40.800 0.059 0.000 0.942 181 D HN 0.143 nan 8.370 nan 0.000 0.467 182 V N 0.534 120.493 119.914 0.076 0.000 2.343 182 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 182 V C 2.586 178.699 176.094 0.030 0.000 1.051 182 V CA 1.320 63.674 62.300 0.091 0.000 1.036 182 V CB -0.584 31.341 31.823 0.171 0.000 0.654 182 V HN 0.308 nan 8.190 nan 0.000 0.451 183 L N -0.592 120.580 121.223 -0.086 0.000 2.141 183 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 183 L C 2.645 179.425 176.870 -0.149 0.000 1.094 183 L CA 1.367 56.062 54.840 -0.241 0.000 0.763 183 L CB -0.546 41.240 42.059 -0.456 0.000 0.908 183 L HN 0.386 nan 8.230 nan 0.000 0.437 184 Q N -0.215 119.531 119.800 -0.090 0.000 2.167 184 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 184 Q C 1.394 177.405 176.000 0.017 0.000 0.970 184 Q CA 1.024 56.802 55.803 -0.041 0.000 0.855 184 Q CB 0.028 28.764 28.738 -0.002 0.000 0.911 184 Q HN 0.511 nan 8.270 nan 0.000 0.438 185 N N -0.640 118.078 118.700 0.030 0.000 2.280 185 N HA -0.044 4.696 4.740 -0.000 0.000 0.192 185 N C 0.947 176.476 175.510 0.031 0.000 1.109 185 N CA 0.180 53.249 53.050 0.031 0.000 0.855 185 N CB 0.157 38.661 38.487 0.027 0.000 0.974 185 N HN 0.270 nan 8.380 nan 0.000 0.482 186 Y N 2.694 122.946 120.300 -0.079 0.000 2.128 186 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 186 Y C 2.557 178.414 175.900 -0.072 0.000 1.154 186 Y CA 2.012 60.055 58.100 -0.095 0.000 1.149 186 Y CB -0.280 38.077 38.460 -0.172 0.000 0.976 186 Y HN 0.103 nan 8.280 nan 0.000 0.505 187 S N -0.766 114.956 115.700 0.038 0.000 2.469 187 S HA -0.186 4.284 4.470 -0.000 0.000 0.238 187 S C 1.534 176.083 174.600 -0.085 0.000 0.998 187 S CA 1.100 59.290 58.200 -0.017 0.000 0.957 187 S CB -0.315 62.920 63.200 0.058 0.000 0.764 187 S HN 0.513 nan 8.310 nan 0.000 0.514 188 Q N 0.691 120.439 119.800 -0.087 0.000 2.432 188 Q HA 0.340 4.680 4.340 -0.000 0.000 0.205 188 Q C 0.417 176.348 176.000 -0.116 0.000 0.945 188 Q CA 0.125 55.882 55.803 -0.076 0.000 0.924 188 Q CB -0.292 28.421 28.738 -0.043 0.000 1.016 188 Q HN 0.596 nan 8.270 nan 0.000 0.503 189 L N 4.081 125.182 121.223 -0.204 0.000 2.410 189 L HA 0.160 4.500 4.340 -0.000 0.000 0.273 189 L C -1.770 174.985 176.870 -0.192 0.000 1.152 189 L CA -1.318 53.391 54.840 -0.218 0.000 0.855 189 L CB 0.110 41.962 42.059 -0.345 0.000 1.129 189 L HN -0.037 nan 8.230 nan 0.000 0.463 190 P HA 0.195 nan 4.420 nan 0.000 0.279 190 P C -0.827 176.422 177.300 -0.086 0.000 1.252 190 P CA -0.675 62.372 63.100 -0.088 0.000 0.811 190 P CB 0.914 32.581 31.700 -0.055 0.000 1.035 191 E N 0.240 120.404 120.200 -0.061 0.000 2.373 191 E HA 0.223 4.573 4.350 -0.000 0.000 0.267 191 E C 0.340 176.927 176.600 -0.021 0.000 1.032 191 E CA -0.165 56.211 56.400 -0.041 0.000 0.889 191 E CB 0.487 30.174 29.700 -0.023 0.000 0.984 191 E HN 0.453 nan 8.360 nan 0.000 0.425 192 S N 2.737 118.433 115.700 -0.006 0.000 2.651 192 S HA 0.179 4.649 4.470 -0.000 0.000 0.291 192 S C 0.898 175.513 174.600 0.025 0.000 1.141 192 S CA -0.891 57.316 58.200 0.012 0.000 1.027 192 S CB 1.587 64.803 63.200 0.028 0.000 1.043 192 S HN 0.618 nan 8.310 nan 0.000 0.530 193 M N 1.070 120.687 119.600 0.028 0.000 2.086 193 M HA 0.043 4.523 4.480 -0.000 0.000 0.261 193 M C -1.309 175.023 176.300 0.054 0.000 1.067 193 M CA 1.523 56.843 55.300 0.033 0.000 1.116 193 M CB -2.432 30.183 32.600 0.026 0.000 1.348 193 M HN 0.481 nan 8.290 nan 0.000 0.407 194 P HA -0.158 nan 4.420 nan 0.000 0.217 194 P C 1.388 178.754 177.300 0.109 0.000 1.150 194 P CA 1.399 64.577 63.100 0.130 0.000 0.832 194 P CB -0.277 31.548 31.700 0.208 0.000 0.787 195 E N 0.139 120.386 120.200 0.078 0.000 2.038 195 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 195 E C 1.934 178.558 176.600 0.041 0.000 1.000 195 E CA 1.345 57.774 56.400 0.049 0.000 0.803 195 E CB -0.283 29.435 29.700 0.030 0.000 0.750 195 E HN 0.286 nan 8.360 nan 0.000 0.448 196 Q N -0.159 119.663 119.800 0.037 0.000 2.119 196 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 196 Q C 2.126 178.148 176.000 0.038 0.000 0.972 196 Q CA 1.226 57.048 55.803 0.032 0.000 0.847 196 Q CB -0.081 28.672 28.738 0.025 0.000 0.903 196 Q HN 0.334 nan 8.270 nan 0.000 0.433 197 A N 1.350 124.199 122.820 0.048 0.000 1.872 197 A HA -0.167 4.153 4.320 -0.000 0.000 0.214 197 A C 1.890 179.509 177.584 0.058 0.000 1.187 197 A CA 1.152 53.221 52.037 0.053 0.000 0.614 197 A CB -0.197 18.841 19.000 0.063 0.000 0.826 197 A HN 0.199 nan 8.150 nan 0.000 0.442 198 E N -0.740 119.501 120.200 0.069 0.000 2.230 198 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 198 E C 0.292 176.918 176.600 0.044 0.000 0.987 198 E CA 0.774 57.212 56.400 0.063 0.000 0.841 198 E CB 0.077 29.818 29.700 0.069 0.000 0.783 198 E HN 0.428 nan 8.360 nan 0.000 0.481 199 S N -0.085 115.638 115.700 0.038 0.000 3.858 199 S HA -0.162 4.308 4.470 -0.000 0.000 0.356 199 S C -0.354 174.262 174.600 0.025 0.000 1.013 199 S CA 0.086 58.305 58.200 0.031 0.000 1.083 199 S CB -1.583 61.636 63.200 0.032 0.000 0.883 199 S HN 0.216 nan 8.310 nan 0.000 0.475 200 L N 1.554 122.785 121.223 0.014 0.000 2.377 200 L HA 0.421 4.761 4.340 -0.000 0.000 0.270 200 L C 1.147 178.004 176.870 -0.023 0.000 0.991 200 L CA -0.471 54.363 54.840 -0.009 0.000 0.851 200 L CB 1.410 43.444 42.059 -0.042 0.000 1.218 200 L HN 0.360 nan 8.230 nan 0.000 0.420 201 E N 2.204 122.397 120.200 -0.012 0.000 2.160 201 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 201 E C 1.675 178.255 176.600 -0.033 0.000 0.991 201 E CA 1.301 57.698 56.400 -0.005 0.000 0.810 201 E CB 0.374 30.078 29.700 0.007 0.000 0.742 201 E HN 0.728 nan 8.360 nan 0.000 0.466 202 Q N 0.423 120.153 119.800 -0.117 0.000 2.364 202 Q HA -0.167 4.173 4.340 -0.000 0.000 0.209 202 Q C 1.924 177.846 176.000 -0.130 0.000 0.977 202 Q CA 0.939 56.628 55.803 -0.191 0.000 0.885 202 Q CB -0.371 28.114 28.738 -0.423 0.000 0.941 202 Q HN 0.425 nan 8.270 nan 0.000 0.464 203 L N 0.409 121.584 121.223 -0.081 0.000 2.465 203 L HA 0.032 4.372 4.340 -0.000 0.000 0.224 203 L C 2.763 179.658 176.870 0.042 0.000 1.145 203 L CA 0.582 55.433 54.840 0.018 0.000 0.834 203 L CB -0.356 41.733 42.059 0.050 0.000 0.944 203 L HN 0.191 nan 8.230 nan 0.000 0.451 204 R N 0.695 121.206 120.500 0.019 0.000 2.092 204 R HA -0.119 4.221 4.340 -0.000 0.000 0.231 204 R C 2.205 178.511 176.300 0.010 0.000 1.119 204 R CA 1.132 57.231 56.100 -0.002 0.000 0.970 204 R CB -0.026 30.251 30.300 -0.039 0.000 0.864 204 R HN 0.328 nan 8.270 nan 0.000 0.440 205 L N -0.075 121.183 121.223 0.057 0.000 2.072 205 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 205 L C 2.569 179.489 176.870 0.084 0.000 1.079 205 L CA 1.199 56.092 54.840 0.088 0.000 0.752 205 L CB -0.304 41.835 42.059 0.133 0.000 0.906 205 L HN 0.248 nan 8.230 nan 0.000 0.436 206 M N -0.410 119.250 119.600 0.101 0.000 2.213 206 M HA -0.197 4.283 4.480 -0.000 0.000 0.263 206 M C 1.950 178.308 176.300 0.097 0.000 1.062 206 M CA 1.565 56.940 55.300 0.126 0.000 1.105 206 M CB -0.678 32.037 32.600 0.191 0.000 1.385 206 M HN 0.276 nan 8.290 nan 0.000 0.417 207 N N 1.021 119.767 118.700 0.077 0.000 2.166 207 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 207 N C 1.360 176.890 175.510 0.032 0.000 1.019 207 N CA 1.623 54.704 53.050 0.053 0.000 0.856 207 N CB -0.013 38.495 38.487 0.034 0.000 0.993 207 N HN 0.291 nan 8.380 nan 0.000 0.426 208 A N -1.024 121.812 122.820 0.026 0.000 2.238 208 A HA 0.395 4.715 4.320 -0.000 0.000 0.208 208 A C 1.418 179.020 177.584 0.030 0.000 1.177 208 A CA 0.621 52.668 52.037 0.016 0.000 0.804 208 A CB -0.778 18.222 19.000 -0.001 0.000 0.823 208 A HN 0.488 nan 8.150 nan 0.000 0.482 209 G N -0.745 108.081 108.800 0.044 0.000 2.143 209 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 209 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 209 G C 0.066 174.999 174.900 0.056 0.000 0.991 209 G CA 0.259 45.387 45.100 0.046 0.000 0.689 209 G HN 0.486 nan 8.290 nan 0.000 0.522 210 I N 1.088 121.699 120.570 0.069 0.000 2.352 210 I HA 0.162 4.332 4.170 -0.000 0.000 0.290 210 I C 0.712 176.885 176.117 0.093 0.000 1.036 210 I CA -0.760 60.590 61.300 0.083 0.000 1.336 210 I CB 0.816 38.876 38.000 0.100 0.000 1.407 210 I HN 0.185 nan 8.210 nan 0.000 0.497 211 N N 7.474 126.223 118.700 0.082 0.000 2.513 211 N HA 0.307 5.047 4.740 -0.000 0.000 0.268 211 N C -0.947 174.621 175.510 0.096 0.000 1.180 211 N CA 0.240 53.337 53.050 0.079 0.000 0.948 211 N CB 0.626 39.146 38.487 0.055 0.000 1.083 211 N HN 0.420 nan 8.380 nan 0.000 0.455 212 I N 2.524 123.157 120.570 0.106 0.000 2.439 212 I HA 0.256 4.426 4.170 -0.000 0.000 0.283 212 I C 0.107 176.265 176.117 0.068 0.000 1.023 212 I CA -0.778 60.600 61.300 0.130 0.000 1.100 212 I CB 1.464 39.605 38.000 0.234 0.000 1.238 212 I HN 0.438 nan 8.210 nan 0.000 0.445 213 R N 4.050 124.563 120.500 0.021 0.000 2.308 213 R HA 0.482 4.822 4.340 -0.000 0.000 0.305 213 R C -0.786 175.406 176.300 -0.179 0.000 1.053 213 R CA -0.049 55.970 56.100 -0.135 0.000 0.957 213 R CB 1.055 31.228 30.300 -0.210 0.000 1.022 213 R HN 0.502 nan 8.270 nan 0.000 0.461 214 T N 5.508 119.897 114.554 -0.276 0.000 2.772 214 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 214 T C -0.833 173.683 174.700 -0.307 0.000 0.994 214 T CA -0.311 61.690 62.100 -0.164 0.000 0.951 214 T CB 0.226 69.048 68.868 -0.076 0.000 0.933 214 T HN 0.305 nan 8.240 nan 0.000 0.447 215 F N 1.925 121.888 119.950 0.021 0.000 2.404 215 F HA 0.354 4.881 4.527 -0.000 0.000 0.345 215 F C 1.043 176.854 175.800 0.019 0.000 1.110 215 F CA -0.976 57.032 58.000 0.013 0.000 1.130 215 F CB 0.909 39.914 39.000 0.007 0.000 1.129 215 F HN 0.465 nan 8.300 nan 0.000 0.500 216 E N 3.110 123.408 120.200 0.164 0.000 2.259 216 E HA 0.510 4.860 4.350 -0.000 0.000 0.281 216 E C -0.947 175.725 176.600 0.119 0.000 1.027 216 E CA -0.522 55.947 56.400 0.116 0.000 0.838 216 E CB 1.155 30.898 29.700 0.070 0.000 1.066 216 E HN 0.545 nan 8.360 nan 0.000 0.401 217 V N 0.349 120.331 119.914 0.113 0.000 3.156 217 V HA 0.861 4.981 4.120 -0.000 0.000 0.311 217 V C -0.128 176.004 176.094 0.063 0.000 1.208 217 V CA -0.834 61.511 62.300 0.074 0.000 1.063 217 V CB 1.032 32.887 31.823 0.053 0.000 1.098 217 V HN 0.779 nan 8.190 nan 0.000 0.452 218 A N 0.489 123.311 122.820 0.004 0.000 2.346 218 A HA 0.784 5.104 4.320 -0.000 0.000 0.252 218 A C 0.833 178.309 177.584 -0.179 0.000 1.089 218 A CA 0.053 52.063 52.037 -0.045 0.000 0.797 218 A CB -0.129 18.840 19.000 -0.051 0.000 1.047 218 A HN 2.413 nan 8.150 nan 0.000 0.494 219 A N 1.158 123.796 122.820 -0.303 0.000 2.566 219 A HA 0.456 4.776 4.320 -0.000 0.000 0.245 219 A C 1.015 178.309 177.584 -0.484 0.000 1.056 219 A CA 0.634 52.228 52.037 -0.738 0.000 0.757 219 A CB -0.910 17.847 19.000 -0.405 0.000 0.979 219 A HN 1.515 nan 8.150 nan 0.000 0.508 220 T N 1.273 115.504 114.554 -0.539 0.000 2.816 220 T HA 0.574 4.924 4.350 -0.000 0.000 0.282 220 T C 0.780 175.397 174.700 -0.138 0.000 0.993 220 T CA -0.137 61.838 62.100 -0.209 0.000 0.994 220 T CB 1.085 69.900 68.868 -0.089 0.000 1.025 220 T HN 1.155 nan 8.240 nan 0.000 0.529 221 G N 1.072 109.822 108.800 -0.084 0.000 2.606 221 G HA2 0.509 4.469 3.960 -0.000 0.000 0.252 221 G HA3 0.509 4.469 3.960 -0.000 0.000 0.252 221 G C -2.182 172.693 174.900 -0.041 0.000 1.206 221 G CA -1.315 43.748 45.100 -0.062 0.000 0.861 221 G HN 0.801 nan 8.290 nan 0.000 0.561 222 P HA 0.210 nan 4.420 nan 0.000 0.271 222 P C 0.530 177.817 177.300 -0.021 0.000 1.216 222 P CA -0.019 63.069 63.100 -0.020 0.000 0.776 222 P CB 1.207 32.895 31.700 -0.021 0.000 0.881 223 G N 1.145 109.939 108.800 -0.011 0.000 2.508 223 G HA2 0.456 4.416 3.960 -0.000 0.000 0.278 223 G HA3 0.456 4.416 3.960 -0.000 0.000 0.278 223 G C -0.942 173.951 174.900 -0.013 0.000 1.389 223 G CA -0.558 44.536 45.100 -0.011 0.000 1.050 223 G HN 0.394 nan 8.290 nan 0.000 0.522 224 V N 0.681 120.589 119.914 -0.010 0.000 2.380 224 V HA 0.382 4.502 4.120 -0.000 0.000 0.286 224 V C -0.605 175.484 176.094 -0.008 0.000 1.015 224 V CA -0.418 61.875 62.300 -0.012 0.000 0.834 224 V CB 1.401 33.215 31.823 -0.016 0.000 1.009 224 V HN 0.829 nan 8.190 nan 0.000 0.428 225 D N 1.507 121.903 120.400 -0.007 0.000 2.123 225 D HA 0.089 4.729 4.640 -0.000 0.000 0.323 225 D C 0.750 177.046 176.300 -0.006 0.000 1.075 225 D CA 0.376 54.373 54.000 -0.005 0.000 0.892 225 D CB 1.639 42.440 40.800 0.001 0.000 1.716 225 D HN 0.540 nan 8.370 nan 0.000 0.531 226 T N 1.811 116.361 114.554 -0.006 0.000 2.856 226 T HA 0.313 4.663 4.350 -0.000 0.000 0.283 226 T C -2.078 172.616 174.700 -0.009 0.000 1.008 226 T CA -2.124 59.972 62.100 -0.006 0.000 0.997 226 T CB 2.263 71.129 68.868 -0.004 0.000 0.992 226 T HN -0.264 nan 8.240 nan 0.000 0.454 227 P HA 0.055 nan 4.420 nan 0.000 0.231 227 P C 1.028 178.323 177.300 -0.010 0.000 1.158 227 P CA 0.445 63.539 63.100 -0.009 0.000 0.763 227 P CB 0.055 31.751 31.700 -0.007 0.000 0.805 228 A N -0.541 122.274 122.820 -0.008 0.000 1.930 228 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 228 A C 2.368 179.945 177.584 -0.011 0.000 1.176 228 A CA 1.085 53.117 52.037 -0.009 0.000 0.632 228 A CB -1.340 17.656 19.000 -0.007 0.000 0.819 228 A HN 0.236 nan 8.150 nan 0.000 0.445 229 C N -1.149 118.144 119.300 -0.012 0.000 2.464 229 C HA 0.075 4.535 4.460 -0.000 0.000 0.278 229 C C 2.453 177.431 174.990 -0.021 0.000 1.375 229 C CA 0.781 59.789 59.018 -0.015 0.000 1.761 229 C CB -1.103 26.630 27.740 -0.013 0.000 1.944 229 C HN 0.656 nan 8.230 nan 0.000 0.509 230 L N 1.626 122.837 121.223 -0.020 0.000 2.046 230 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 230 L C 2.400 179.254 176.870 -0.027 0.000 1.077 230 L CA 2.066 56.892 54.840 -0.024 0.000 0.747 230 L CB -0.741 41.307 42.059 -0.019 0.000 0.896 230 L HN 0.252 nan 8.230 nan 0.000 0.432 231 E N -0.180 120.008 120.200 -0.021 0.000 2.150 231 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 231 E C 2.144 178.729 176.600 -0.025 0.000 0.985 231 E CA 1.011 57.398 56.400 -0.020 0.000 0.814 231 E CB -0.203 29.489 29.700 -0.015 0.000 0.752 231 E HN 0.561 nan 8.360 nan 0.000 0.466 232 K N 0.837 121.222 120.400 -0.025 0.000 2.103 232 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 232 K C 2.073 178.650 176.600 -0.037 0.000 1.052 232 K CA 0.607 56.877 56.287 -0.027 0.000 0.945 232 K CB 0.219 32.705 32.500 -0.024 0.000 0.722 232 K HN -0.099 nan 8.250 nan 0.000 0.443 233 V N 1.276 121.163 119.914 -0.044 0.000 2.358 233 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 233 V C 2.301 178.349 176.094 -0.076 0.000 1.047 233 V CA 1.653 63.915 62.300 -0.063 0.000 1.035 233 V CB -0.455 31.327 31.823 -0.068 0.000 0.658 233 V HN 0.320 nan 8.190 nan 0.000 0.452 234 R N 0.129 120.592 120.500 -0.063 0.000 2.073 234 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 234 R C 2.408 178.679 176.300 -0.048 0.000 1.134 234 R CA 1.606 57.670 56.100 -0.059 0.000 0.952 234 R CB -0.581 29.696 30.300 -0.038 0.000 0.850 234 R HN 0.536 nan 8.270 nan 0.000 0.433 235 A N 0.651 123.448 122.820 -0.038 0.000 1.968 235 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 235 A C 1.977 179.540 177.584 -0.035 0.000 1.169 235 A CA 0.890 52.909 52.037 -0.030 0.000 0.638 235 A CB -0.221 18.765 19.000 -0.024 0.000 0.812 235 A HN 0.119 nan 8.150 nan 0.000 0.446 236 L N -1.652 119.546 121.223 -0.042 0.000 2.156 236 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 236 L C 2.434 179.273 176.870 -0.053 0.000 1.095 236 L CA 1.895 56.709 54.840 -0.044 0.000 0.770 236 L CB -0.586 41.444 42.059 -0.048 0.000 0.914 236 L HN 0.441 nan 8.230 nan 0.000 0.439 237 M N -1.370 118.187 119.600 -0.071 0.000 2.156 237 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 237 M C 2.169 178.437 176.300 -0.052 0.000 1.067 237 M CA 1.706 56.954 55.300 -0.087 0.000 1.131 237 M CB -0.294 32.213 32.600 -0.156 0.000 1.368 237 M HN 0.194 nan 8.290 nan 0.000 0.416 238 A N -0.773 122.022 122.820 -0.041 0.000 1.930 238 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 238 A C 2.135 179.708 177.584 -0.019 0.000 1.175 238 A CA 1.576 53.599 52.037 -0.022 0.000 0.627 238 A CB -0.865 18.124 19.000 -0.018 0.000 0.815 238 A HN 0.598 nan 8.150 nan 0.000 0.443 239 Q N -0.060 119.726 119.800 -0.023 0.000 2.226 239 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 239 Q C 1.833 177.822 176.000 -0.019 0.000 0.975 239 Q CA 1.911 57.702 55.803 -0.020 0.000 0.866 239 Q CB -0.147 28.578 28.738 -0.022 0.000 0.915 239 Q HN 0.833 nan 8.270 nan 0.000 0.440 240 E N -0.265 119.921 120.200 -0.023 0.000 2.107 240 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 240 E C 2.212 178.804 176.600 -0.013 0.000 0.982 240 E CA 0.383 56.771 56.400 -0.021 0.000 0.809 240 E CB 0.061 29.745 29.700 -0.027 0.000 0.756 240 E HN 0.357 nan 8.360 nan 0.000 0.459 241 L N 0.232 121.450 121.223 -0.009 0.000 2.093 241 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 241 L C 2.559 179.426 176.870 -0.004 0.000 1.085 241 L CA 1.025 55.863 54.840 -0.002 0.000 0.755 241 L CB -0.357 41.704 42.059 0.003 0.000 0.904 241 L HN 0.191 nan 8.230 nan 0.000 0.435 242 A N -0.462 122.355 122.820 -0.006 0.000 1.968 242 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 242 A C 2.253 179.832 177.584 -0.007 0.000 1.169 242 A CA 1.388 53.421 52.037 -0.006 0.000 0.638 242 A CB -0.345 18.651 19.000 -0.007 0.000 0.812 242 A HN 0.458 nan 8.150 nan 0.000 0.446 243 E N 0.433 120.628 120.200 -0.009 0.000 2.107 243 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 243 E C -0.021 176.574 176.600 -0.009 0.000 0.982 243 E CA 0.752 57.147 56.400 -0.010 0.000 0.809 243 E CB -0.074 29.619 29.700 -0.012 0.000 0.756 243 E HN 0.512 nan 8.360 nan 0.000 0.459 244 N N 1.093 119.789 118.700 -0.008 0.000 3.324 244 N HA 0.190 4.930 4.740 -0.000 0.000 0.302 244 N C -0.798 174.709 175.510 -0.005 0.000 1.360 244 N CA 0.087 53.133 53.050 -0.007 0.000 1.190 244 N CB 1.158 39.641 38.487 -0.007 0.000 1.462 244 N HN 0.115 nan 8.380 nan 0.000 0.532 245 A N 0.000 122.817 122.820 -0.005 0.000 2.254 245 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 245 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 245 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486