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 1h7e_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 -0.029 0.000 1.055 1 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 1 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 2 K N 2.722 123.097 120.400 -0.041 0.000 2.234 2 K HA 0.757 5.077 4.320 -0.000 0.000 0.282 2 K C -0.324 176.215 176.600 -0.101 0.000 1.039 2 K CA -0.269 55.984 56.287 -0.057 0.000 0.928 2 K CB 0.888 33.357 32.500 -0.051 0.000 1.039 2 K HN 0.551 nan 8.250 nan 0.000 0.470 3 A N 3.404 126.172 122.820 -0.088 0.000 2.365 3 A HA 0.607 4.927 4.320 -0.000 0.000 0.318 3 A C -0.968 176.561 177.584 -0.092 0.000 1.091 3 A CA -0.746 51.223 52.037 -0.113 0.000 0.763 3 A CB 1.376 20.338 19.000 -0.063 0.000 1.248 3 A HN 0.580 nan 8.150 nan 0.000 0.442 4 V N -0.033 119.807 119.914 -0.123 0.000 2.962 4 V HA 0.795 4.915 4.120 -0.000 0.000 0.313 4 V C -0.689 175.441 176.094 0.060 0.000 1.099 4 V CA -0.828 61.471 62.300 -0.003 0.000 0.971 4 V CB 1.593 33.446 31.823 0.049 0.000 1.028 4 V HN 0.725 nan 8.190 nan 0.000 0.430 5 I N 3.104 123.737 120.570 0.106 0.000 2.354 5 I HA 0.578 4.748 4.170 -0.000 0.000 0.292 5 I C -0.691 175.537 176.117 0.184 0.000 0.989 5 I CA -0.849 60.516 61.300 0.108 0.000 1.188 5 I CB 1.981 40.000 38.000 0.032 0.000 1.342 5 I HN 0.476 nan 8.210 nan 0.000 0.457 6 V N 7.684 127.713 119.914 0.190 0.000 2.448 6 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 6 V C -0.097 176.095 176.094 0.164 0.000 1.025 6 V CA -0.477 61.948 62.300 0.208 0.000 0.859 6 V CB 1.917 33.843 31.823 0.171 0.000 0.988 6 V HN 0.463 nan 8.190 nan 0.000 0.431 7 I N 6.897 127.576 120.570 0.181 0.000 2.359 7 I HA 0.357 4.527 4.170 -0.000 0.000 0.284 7 I C -2.552 173.657 176.117 0.152 0.000 1.018 7 I CA -1.933 59.461 61.300 0.157 0.000 1.173 7 I CB 1.974 40.081 38.000 0.178 0.000 1.326 7 I HN 0.399 nan 8.210 nan 0.000 0.462 8 P HA 0.180 nan 4.420 nan 0.000 0.271 8 P C -0.717 176.647 177.300 0.106 0.000 1.226 8 P CA -0.165 62.992 63.100 0.096 0.000 0.765 8 P CB 0.973 32.712 31.700 0.064 0.000 0.835 9 A N 4.132 127.022 122.820 0.116 0.000 2.984 9 A HA 0.346 4.666 4.320 -0.000 0.000 0.320 9 A C -0.030 177.627 177.584 0.120 0.000 1.142 9 A CA -0.733 51.375 52.037 0.119 0.000 0.772 9 A CB 0.433 19.519 19.000 0.143 0.000 1.195 9 A HN 0.542 nan 8.150 nan 0.000 0.459 10 R N 1.162 121.727 120.500 0.107 0.000 2.297 10 R HA 0.417 4.757 4.340 -0.000 0.000 0.308 10 R C 0.286 176.672 176.300 0.143 0.000 1.029 10 R CA -0.581 55.595 56.100 0.126 0.000 0.929 10 R CB 0.848 31.211 30.300 0.106 0.000 1.046 10 R HN 0.550 nan 8.270 nan 0.000 0.461 11 Y N 3.439 123.767 120.300 0.047 0.000 2.049 11 Y HA -0.087 4.463 4.550 -0.000 0.000 0.277 11 Y C 1.421 177.342 175.900 0.036 0.000 1.143 11 Y CA 2.001 60.126 58.100 0.041 0.000 1.115 11 Y CB -0.408 38.073 38.460 0.035 0.000 0.975 11 Y HN 0.886 nan 8.280 nan 0.000 0.487 12 G N 0.986 109.990 108.800 0.340 0.000 2.202 12 G HA2 0.285 4.245 3.960 -0.000 0.000 0.251 12 G HA3 0.285 4.245 3.960 -0.000 0.000 0.251 12 G C -0.842 174.113 174.900 0.091 0.000 1.219 12 G CA 0.569 45.797 45.100 0.212 0.000 0.943 12 G HN 0.304 nan 8.290 nan 0.000 0.465 13 S N 0.395 116.126 115.700 0.051 0.000 2.535 13 S HA 0.484 4.954 4.470 -0.000 0.000 0.272 13 S C 1.173 175.785 174.600 0.021 0.000 1.149 13 S CA 0.073 58.286 58.200 0.023 0.000 0.888 13 S CB 1.288 64.483 63.200 -0.009 0.000 1.110 13 S HN 1.025 nan 8.310 nan 0.000 0.463 14 S N 4.036 119.749 115.700 0.021 0.000 2.335 14 S HA -0.037 4.433 4.470 -0.000 0.000 0.216 14 S C 1.352 175.959 174.600 0.012 0.000 1.032 14 S CA 0.617 58.830 58.200 0.020 0.000 1.000 14 S CB -0.453 62.759 63.200 0.020 0.000 0.928 14 S HN 0.745 nan 8.310 nan 0.000 0.434 15 R N 0.677 121.180 120.500 0.006 0.000 2.320 15 R HA 0.446 4.786 4.340 -0.000 0.000 0.211 15 R C -0.443 175.852 176.300 -0.008 0.000 0.931 15 R CA 0.165 56.266 56.100 0.001 0.000 1.071 15 R CB -0.057 30.244 30.300 0.003 0.000 1.025 15 R HN 0.372 nan 8.270 nan 0.000 0.495 16 L N 1.477 122.690 121.223 -0.017 0.000 2.367 16 L HA 0.229 4.569 4.340 -0.000 0.000 0.263 16 L C -2.556 174.268 176.870 -0.075 0.000 1.473 16 L CA -1.519 53.297 54.840 -0.039 0.000 0.807 16 L CB 1.982 44.017 42.059 -0.040 0.000 0.968 16 L HN -0.131 nan 8.230 nan 0.000 0.520 17 P HA 0.096 nan 4.420 nan 0.000 0.266 17 P C 0.826 177.927 177.300 -0.332 0.000 1.215 17 P CA 0.972 64.012 63.100 -0.101 0.000 0.763 17 P CB 1.071 32.781 31.700 0.017 0.000 0.806 18 G N 3.223 111.540 108.800 -0.804 0.000 2.212 18 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.255 18 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.255 18 G C 0.940 175.512 174.900 -0.547 0.000 1.062 18 G CA 0.331 44.582 45.100 -1.415 0.000 0.815 18 G HN 0.590 nan 8.290 nan 0.000 0.497 19 K N 0.553 120.754 120.400 -0.331 0.000 2.059 19 K HA -0.122 4.198 4.320 -0.000 0.000 0.212 19 K C 0.435 176.984 176.600 -0.085 0.000 1.050 19 K CA 1.901 58.099 56.287 -0.149 0.000 0.927 19 K CB -0.269 32.179 32.500 -0.086 0.000 0.714 19 K HN 0.469 nan 8.250 nan 0.000 0.447 20 P HA -0.125 nan 4.420 nan 0.000 0.226 20 P C 0.721 178.045 177.300 0.040 0.000 1.153 20 P CA 1.161 64.274 63.100 0.022 0.000 0.777 20 P CB 0.027 31.768 31.700 0.068 0.000 0.794 21 L N -1.379 119.840 121.223 -0.007 0.000 2.607 21 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 21 L C 1.269 178.151 176.870 0.020 0.000 1.123 21 L CA -0.378 54.482 54.840 0.034 0.000 0.890 21 L CB -0.371 41.725 42.059 0.062 0.000 1.103 21 L HN -0.102 nan 8.230 nan 0.000 0.468 22 L N 0.728 121.948 121.223 -0.004 0.000 2.483 22 L HA 0.018 4.358 4.340 -0.000 0.000 0.276 22 L C 0.599 177.489 176.870 0.034 0.000 1.213 22 L CA 0.297 55.138 54.840 0.003 0.000 0.843 22 L CB 0.385 42.437 42.059 -0.012 0.000 1.107 22 L HN 0.103 nan 8.230 nan 0.000 0.487 23 D N 3.767 124.187 120.400 0.032 0.000 2.264 23 D HA 0.368 5.008 4.640 -0.000 0.000 0.250 23 D C -0.769 175.561 176.300 0.050 0.000 1.113 23 D CA -0.181 53.849 54.000 0.050 0.000 0.871 23 D CB 1.006 41.829 40.800 0.037 0.000 1.167 23 D HN 0.261 nan 8.370 nan 0.000 0.447 24 I N 3.840 124.469 120.570 0.099 0.000 2.497 24 I HA 0.020 4.190 4.170 -0.000 0.000 0.284 24 I C 0.432 176.636 176.117 0.145 0.000 1.060 24 I CA -0.980 60.348 61.300 0.045 0.000 1.071 24 I CB 2.055 39.982 38.000 -0.121 0.000 1.216 24 I HN 0.355 nan 8.210 nan 0.000 0.442 25 V N 2.983 122.935 119.914 0.064 0.000 5.479 25 V HA -0.260 3.860 4.120 -0.000 0.000 0.289 25 V C 0.919 177.065 176.094 0.087 0.000 0.595 25 V CA 0.985 63.328 62.300 0.071 0.000 0.649 25 V CB -2.476 29.384 31.823 0.063 0.000 0.390 25 V HN 1.582 nan 8.190 nan 0.000 0.974 26 G N -0.872 107.967 108.800 0.064 0.000 2.179 26 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 26 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 26 G C 0.051 174.956 174.900 0.010 0.000 0.977 26 G CA 0.698 45.819 45.100 0.033 0.000 0.641 26 G HN 1.140 nan 8.290 nan 0.000 0.533 27 K N 0.288 120.703 120.400 0.025 0.000 2.426 27 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 27 K C -2.892 173.700 176.600 -0.012 0.000 0.941 27 K CA -2.316 53.911 56.287 -0.100 0.000 0.808 27 K CB 2.726 34.960 32.500 -0.443 0.000 1.265 27 K HN -0.077 nan 8.250 nan 0.000 0.432 28 P HA 0.050 nan 4.420 nan 0.000 0.272 28 P C 0.419 177.772 177.300 0.090 0.000 1.223 28 P CA -0.187 62.942 63.100 0.049 0.000 0.784 28 P CB 0.563 32.309 31.700 0.078 0.000 0.923 29 M N 2.702 122.379 119.600 0.129 0.000 2.106 29 M HA -0.195 4.285 4.480 -0.000 0.000 0.259 29 M C 1.630 178.014 176.300 0.140 0.000 1.068 29 M CA 2.042 57.440 55.300 0.164 0.000 1.100 29 M CB -0.562 32.087 32.600 0.082 0.000 1.351 29 M HN 0.244 nan 8.290 nan 0.000 0.404 30 I N 0.665 121.307 120.570 0.120 0.000 2.335 30 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 30 I C 2.358 178.538 176.117 0.104 0.000 1.129 30 I CA 1.751 63.147 61.300 0.161 0.000 1.402 30 I CB -0.517 37.616 38.000 0.221 0.000 1.069 30 I HN 0.535 nan 8.210 nan 0.000 0.424 31 Q N -0.812 118.912 119.800 -0.128 0.000 2.123 31 Q HA -0.226 4.114 4.340 -0.000 0.000 0.199 31 Q C 2.188 177.979 176.000 -0.349 0.000 0.966 31 Q CA 1.313 56.746 55.803 -0.617 0.000 0.845 31 Q CB -0.171 28.014 28.738 -0.922 0.000 0.907 31 Q HN 0.594 nan 8.270 nan 0.000 0.439 32 H N -0.673 118.322 119.070 -0.125 0.000 2.353 32 H HA -0.103 4.453 4.556 -0.000 0.000 0.300 32 H C 2.216 177.529 175.328 -0.025 0.000 1.090 32 H CA 1.674 57.680 56.048 -0.070 0.000 1.327 32 H CB 0.048 29.782 29.762 -0.047 0.000 1.383 32 H HN 0.171 nan 8.280 nan 0.000 0.508 33 V N 0.593 120.587 119.914 0.133 0.000 2.358 33 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 33 V C 2.244 178.389 176.094 0.085 0.000 1.047 33 V CA 1.660 64.020 62.300 0.100 0.000 1.035 33 V CB -0.845 31.044 31.823 0.111 0.000 0.658 33 V HN 0.311 nan 8.190 nan 0.000 0.452 34 Y N 1.237 121.540 120.300 0.005 0.000 2.145 34 Y HA -0.242 4.308 4.550 -0.000 0.000 0.286 34 Y C 2.618 178.502 175.900 -0.027 0.000 1.145 34 Y CA 2.152 60.265 58.100 0.022 0.000 1.148 34 Y CB -0.127 38.379 38.460 0.077 0.000 0.981 34 Y HN 0.344 nan 8.280 nan 0.000 0.507 35 E N -0.468 119.787 120.200 0.091 0.000 2.110 35 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 35 E C 2.266 178.861 176.600 -0.008 0.000 0.988 35 E CA 1.299 57.714 56.400 0.025 0.000 0.804 35 E CB -0.166 29.506 29.700 -0.047 0.000 0.745 35 E HN 0.452 nan 8.360 nan 0.000 0.458 36 R N 0.438 120.937 120.500 -0.002 0.000 2.092 36 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 36 R C 2.315 178.589 176.300 -0.043 0.000 1.119 36 R CA 1.045 57.138 56.100 -0.012 0.000 0.970 36 R CB -0.216 30.086 30.300 0.005 0.000 0.864 36 R HN 0.103 nan 8.270 nan 0.000 0.440 37 A N 0.898 123.672 122.820 -0.077 0.000 1.933 37 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 37 A C 2.048 179.549 177.584 -0.138 0.000 1.175 37 A CA 1.144 53.110 52.037 -0.119 0.000 0.628 37 A CB -0.505 18.383 19.000 -0.187 0.000 0.814 37 A HN 0.216 nan 8.150 nan 0.000 0.444 38 L N -0.826 120.306 121.223 -0.152 0.000 2.275 38 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 38 L C 2.409 179.243 176.870 -0.059 0.000 1.119 38 L CA 1.055 55.830 54.840 -0.109 0.000 0.790 38 L CB -0.366 41.659 42.059 -0.057 0.000 0.919 38 L HN 0.513 nan 8.230 nan 0.000 0.443 39 Q N -0.690 119.081 119.800 -0.048 0.000 2.444 39 Q HA 0.044 4.384 4.340 -0.000 0.000 0.206 39 Q C 0.146 176.124 176.000 -0.036 0.000 0.948 39 Q CA -0.016 55.767 55.803 -0.034 0.000 0.946 39 Q CB 0.353 29.076 28.738 -0.025 0.000 1.027 39 Q HN 0.257 nan 8.270 nan 0.000 0.513 40 V N 1.938 121.826 119.914 -0.044 0.000 2.427 40 V HA 0.239 4.359 4.120 -0.000 0.000 0.268 40 V C 0.386 176.457 176.094 -0.038 0.000 1.046 40 V CA -0.577 61.698 62.300 -0.041 0.000 0.970 40 V CB 0.484 32.280 31.823 -0.044 0.000 1.001 40 V HN 0.198 nan 8.190 nan 0.000 0.476 41 A N 4.200 126.999 122.820 -0.035 0.000 2.445 41 A HA 0.567 4.887 4.320 -0.000 0.000 0.242 41 A C 1.518 179.083 177.584 -0.033 0.000 1.075 41 A CA 0.497 52.515 52.037 -0.031 0.000 0.777 41 A CB -0.053 18.930 19.000 -0.029 0.000 1.013 41 A HN 2.089 nan 8.150 nan 0.000 0.493 42 G N -0.098 108.685 108.800 -0.028 0.000 2.179 42 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.260 42 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.260 42 G C 0.131 175.014 174.900 -0.029 0.000 0.977 42 G CA 0.224 45.307 45.100 -0.028 0.000 0.641 42 G HN 1.423 nan 8.290 nan 0.000 0.533 43 V N 0.872 120.769 119.914 -0.029 0.000 2.394 43 V HA 0.676 4.796 4.120 -0.000 0.000 0.282 43 V C 1.374 177.456 176.094 -0.020 0.000 1.031 43 V CA 0.364 62.648 62.300 -0.027 0.000 0.881 43 V CB 1.240 33.044 31.823 -0.032 0.000 0.982 43 V HN 0.672 nan 8.190 nan 0.000 0.451 44 A N 4.470 127.284 122.820 -0.010 0.000 1.898 44 A HA 0.151 4.471 4.320 -0.000 0.000 0.214 44 A C 0.743 178.336 177.584 0.016 0.000 1.183 44 A CA 0.833 52.873 52.037 0.005 0.000 0.622 44 A CB 0.076 19.084 19.000 0.013 0.000 0.824 44 A HN 0.815 nan 8.150 nan 0.000 0.444 45 E N -1.985 118.240 120.200 0.042 0.000 2.408 45 E HA 0.579 4.929 4.350 -0.000 0.000 0.275 45 E C -1.888 174.733 176.600 0.035 0.000 0.935 45 E CA -0.788 55.633 56.400 0.034 0.000 0.775 45 E CB 2.578 32.381 29.700 0.171 0.000 1.277 45 E HN -0.037 nan 8.360 nan 0.000 0.455 46 V N 1.491 121.340 119.914 -0.109 0.000 2.531 46 V HA 0.462 4.582 4.120 -0.000 0.000 0.301 46 V C -1.401 174.629 176.094 -0.107 0.000 1.034 46 V CA -0.758 61.467 62.300 -0.124 0.000 0.865 46 V CB 0.859 32.411 31.823 -0.451 0.000 0.995 46 V HN 0.597 nan 8.190 nan 0.000 0.424 47 W N 2.673 124.020 121.300 0.079 0.000 2.844 47 W HA 0.755 5.415 4.660 -0.000 0.000 0.340 47 W C -0.703 175.928 176.519 0.187 0.000 1.093 47 W CA -0.787 56.658 57.345 0.167 0.000 1.212 47 W CB 2.060 31.591 29.460 0.119 0.000 1.422 47 W HN 0.282 nan 8.180 nan 0.000 0.515 48 V N 3.111 123.310 119.914 0.475 0.000 2.370 48 V HA 0.694 4.814 4.120 -0.000 0.000 0.283 48 V C -0.035 176.228 176.094 0.283 0.000 1.023 48 V CA -1.015 61.487 62.300 0.337 0.000 0.857 48 V CB 0.879 32.874 31.823 0.286 0.000 0.985 48 V HN 0.615 nan 8.190 nan 0.000 0.443 49 A N 3.791 126.736 122.820 0.209 0.000 2.249 49 A HA 0.778 5.098 4.320 -0.000 0.000 0.314 49 A C -0.012 177.648 177.584 0.127 0.000 1.290 49 A CA -0.279 51.847 52.037 0.147 0.000 0.893 49 A CB 1.141 20.195 19.000 0.090 0.000 1.165 49 A HN 0.753 nan 8.150 nan 0.000 0.530 50 T N 0.169 114.794 114.554 0.118 0.000 2.883 50 T HA 0.520 4.870 4.350 -0.000 0.000 0.296 50 T C -0.531 174.224 174.700 0.091 0.000 1.117 50 T CA 0.021 62.186 62.100 0.108 0.000 1.006 50 T CB 1.452 70.386 68.868 0.110 0.000 1.191 50 T HN 0.654 nan 8.240 nan 0.000 0.508 51 D N 0.400 120.852 120.400 0.085 0.000 2.469 51 D HA 0.210 4.850 4.640 -0.000 0.000 0.215 51 D C -0.099 176.226 176.300 0.040 0.000 1.154 51 D CA -0.152 53.885 54.000 0.061 0.000 0.832 51 D CB 0.396 41.233 40.800 0.063 0.000 1.008 51 D HN 0.445 nan 8.370 nan 0.000 0.506 52 D N 1.036 121.465 120.400 0.049 0.000 2.629 52 D HA 0.147 4.787 4.640 -0.000 0.000 0.250 52 D C -1.801 174.501 176.300 0.003 0.000 1.126 52 D CA -1.880 52.128 54.000 0.012 0.000 0.852 52 D CB 3.270 44.085 40.800 0.025 0.000 1.335 52 D HN -0.234 nan 8.370 nan 0.000 0.518 53 P HA -0.099 nan 4.420 nan 0.000 0.220 53 P C 1.084 178.367 177.300 -0.028 0.000 1.148 53 P CA 0.658 63.743 63.100 -0.025 0.000 0.803 53 P CB 0.596 32.274 31.700 -0.036 0.000 0.782 54 R N -0.297 120.171 120.500 -0.052 0.000 2.092 54 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 54 R C 2.383 178.713 176.300 0.051 0.000 1.119 54 R CA 1.031 57.114 56.100 -0.028 0.000 0.970 54 R CB -0.960 29.270 30.300 -0.117 0.000 0.864 54 R HN 0.095 nan 8.270 nan 0.000 0.440 55 V N 1.181 121.149 119.914 0.090 0.000 2.379 55 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 55 V C 2.355 178.473 176.094 0.041 0.000 1.044 55 V CA 1.789 64.159 62.300 0.117 0.000 1.036 55 V CB -0.453 31.466 31.823 0.160 0.000 0.664 55 V HN 0.386 nan 8.190 nan 0.000 0.453 56 E N -0.298 119.915 120.200 0.022 0.000 2.058 56 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 56 E C 2.310 178.871 176.600 -0.067 0.000 0.997 56 E CA 1.437 57.830 56.400 -0.013 0.000 0.801 56 E CB -0.060 29.642 29.700 0.003 0.000 0.746 56 E HN 0.490 nan 8.360 nan 0.000 0.450 57 Q N 0.084 119.855 119.800 -0.048 0.000 2.050 57 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 57 Q C 2.159 178.101 176.000 -0.096 0.000 0.980 57 Q CA 1.552 57.316 55.803 -0.065 0.000 0.840 57 Q CB -0.543 28.174 28.738 -0.035 0.000 0.898 57 Q HN 0.404 nan 8.270 nan 0.000 0.424 58 A N 0.090 122.879 122.820 -0.052 0.000 1.940 58 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 58 A C 2.426 179.877 177.584 -0.222 0.000 1.176 58 A CA 1.681 53.699 52.037 -0.032 0.000 0.631 58 A CB -0.640 18.405 19.000 0.075 0.000 0.814 58 A HN 0.225 nan 8.150 nan 0.000 0.446 59 V N -0.365 119.336 119.914 -0.354 0.000 2.307 59 V HA -0.298 3.822 4.120 -0.000 0.000 0.245 59 V C 2.617 178.068 176.094 -1.072 0.000 1.045 59 V CA 2.214 63.974 62.300 -0.901 0.000 1.024 59 V CB -0.914 30.644 31.823 -0.442 0.000 0.651 59 V HN 0.639 nan 8.190 nan 0.000 0.449 60 Q N -0.205 119.279 119.800 -0.527 0.000 2.124 60 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 60 Q C 2.385 178.178 176.000 -0.346 0.000 0.977 60 Q CA 1.657 57.227 55.803 -0.388 0.000 0.850 60 Q CB -0.437 28.175 28.738 -0.209 0.000 0.901 60 Q HN 0.679 nan 8.270 nan 0.000 0.429 61 A N 1.009 123.655 122.820 -0.290 0.000 1.978 61 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 61 A C 1.591 179.121 177.584 -0.090 0.000 1.170 61 A CA 1.463 53.413 52.037 -0.146 0.000 0.636 61 A CB -0.713 18.247 19.000 -0.066 0.000 0.810 61 A HN 0.585 nan 8.150 nan 0.000 0.448 62 F N -2.507 117.369 119.950 -0.124 0.000 2.693 62 F HA 0.512 5.039 4.527 -0.000 0.000 0.303 62 F C 1.167 176.863 175.800 -0.173 0.000 1.097 62 F CA -0.268 57.647 58.000 -0.141 0.000 1.330 62 F CB -0.623 38.283 39.000 -0.155 0.000 1.067 62 F HN 0.316 nan 8.300 nan 0.000 0.565 63 G N 0.091 108.747 108.800 -0.240 0.000 2.141 63 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.242 63 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.242 63 G C 0.592 175.317 174.900 -0.292 0.000 0.982 63 G CA -0.207 44.779 45.100 -0.192 0.000 0.662 63 G HN 0.944 nan 8.290 nan 0.000 0.527 64 G N -0.473 107.938 108.800 -0.649 0.000 2.504 64 G HA2 0.569 4.529 3.960 -0.000 0.000 0.288 64 G HA3 0.569 4.529 3.960 -0.000 0.000 0.288 64 G C -0.019 174.609 174.900 -0.454 0.000 1.182 64 G CA -0.642 44.008 45.100 -0.750 0.000 0.894 64 G HN 0.394 nan 8.290 nan 0.000 0.521 65 K N 0.215 120.453 120.400 -0.270 0.000 2.227 65 K HA 0.558 4.878 4.320 -0.000 0.000 0.280 65 K C -0.105 176.460 176.600 -0.058 0.000 1.041 65 K CA -0.146 55.931 56.287 -0.351 0.000 0.905 65 K CB 1.693 33.596 32.500 -0.994 0.000 1.068 65 K HN 0.505 nan 8.250 nan 0.000 0.470 66 A N 3.620 126.479 122.820 0.064 0.000 2.380 66 A HA 0.734 5.054 4.320 -0.000 0.000 0.315 66 A C -1.166 176.632 177.584 0.357 0.000 1.101 66 A CA -0.848 51.315 52.037 0.210 0.000 0.771 66 A CB 0.956 19.989 19.000 0.056 0.000 1.287 66 A HN 0.833 nan 8.150 nan 0.000 0.436 67 I N 2.024 122.784 120.570 0.317 0.000 2.534 67 I HA 0.397 4.567 4.170 -0.000 0.000 0.288 67 I C -0.918 175.270 176.117 0.118 0.000 1.077 67 I CA -0.889 60.536 61.300 0.208 0.000 1.051 67 I CB 1.396 39.451 38.000 0.090 0.000 1.234 67 I HN 0.596 nan 8.210 nan 0.000 0.425 68 M N 6.190 125.840 119.600 0.083 0.000 2.217 68 M HA 0.297 4.777 4.480 -0.000 0.000 0.354 68 M C 0.155 176.486 176.300 0.052 0.000 1.225 68 M CA 0.143 55.480 55.300 0.061 0.000 1.137 68 M CB 0.816 33.441 32.600 0.041 0.000 1.576 68 M HN 0.703 nan 8.290 nan 0.000 0.461 69 T N 1.249 115.841 114.554 0.063 0.000 2.888 69 T HA 0.638 4.988 4.350 -0.000 0.000 0.288 69 T C 0.059 174.784 174.700 0.042 0.000 1.063 69 T CA -1.169 60.981 62.100 0.084 0.000 1.010 69 T CB 1.713 70.671 68.868 0.149 0.000 1.214 69 T HN 0.610 nan 8.240 nan 0.000 0.533 70 R N 1.449 121.929 120.500 -0.033 0.000 2.643 70 R HA 0.207 4.547 4.340 -0.000 0.000 0.270 70 R C 1.525 177.737 176.300 -0.146 0.000 1.061 70 R CA -0.057 55.931 56.100 -0.187 0.000 1.107 70 R CB 0.321 30.368 30.300 -0.422 0.000 0.999 70 R HN 0.849 nan 8.270 nan 0.000 0.460 71 N N 1.115 119.755 118.700 -0.100 0.000 2.373 71 N HA -0.105 4.635 4.740 -0.000 0.000 0.181 71 N C -0.001 175.480 175.510 -0.049 0.000 1.082 71 N CA 0.524 53.553 53.050 -0.035 0.000 0.885 71 N CB 0.150 38.630 38.487 -0.013 0.000 0.977 71 N HN 0.583 nan 8.380 nan 0.000 0.462 72 D N -0.433 119.889 120.400 -0.129 0.000 2.336 72 D HA -0.066 4.574 4.640 -0.000 0.000 0.229 72 D C -0.014 176.244 176.300 -0.070 0.000 1.061 72 D CA -0.005 53.936 54.000 -0.098 0.000 0.875 72 D CB -0.494 40.240 40.800 -0.110 0.000 0.904 72 D HN 0.145 nan 8.370 nan 0.000 0.525 73 H N 1.459 120.532 119.070 0.006 0.000 2.955 73 H HA 0.040 4.596 4.556 -0.000 0.000 0.290 73 H C 1.359 176.692 175.328 0.008 0.000 1.047 73 H CA 0.244 56.294 56.048 0.004 0.000 1.484 73 H CB 0.892 30.652 29.762 -0.003 0.000 1.501 73 H HN 0.492 nan 8.280 nan 0.000 0.521 74 E N 2.106 122.396 120.200 0.150 0.000 2.072 74 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 74 E C 0.116 176.757 176.600 0.068 0.000 0.982 74 E CA 0.575 57.026 56.400 0.086 0.000 0.803 74 E CB 0.236 29.975 29.700 0.065 0.000 0.755 74 E HN 0.404 nan 8.360 nan 0.000 0.453 75 S N -0.726 115.007 115.700 0.055 0.000 2.568 75 S HA 0.542 5.012 4.470 -0.000 0.000 0.302 75 S C 0.989 175.550 174.600 -0.065 0.000 1.082 75 S CA -0.517 57.687 58.200 0.006 0.000 1.009 75 S CB 1.705 64.917 63.200 0.019 0.000 1.069 75 S HN 0.183 nan 8.310 nan 0.000 0.500 76 G N 0.829 109.588 108.800 -0.069 0.000 2.498 76 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.219 76 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.219 76 G C 0.888 175.657 174.900 -0.218 0.000 1.119 76 G CA 1.066 46.103 45.100 -0.105 0.000 0.766 76 G HN 0.733 nan 8.290 nan 0.000 0.552 77 T N 0.512 114.893 114.554 -0.288 0.000 2.978 77 T HA -0.006 4.344 4.350 -0.000 0.000 0.262 77 T C 1.887 176.263 174.700 -0.540 0.000 1.063 77 T CA 0.907 62.690 62.100 -0.528 0.000 1.140 77 T CB -0.087 68.321 68.868 -0.767 0.000 0.886 77 T HN 0.154 nan 8.240 nan 0.000 0.470 78 D N 1.266 121.452 120.400 -0.357 0.000 2.144 78 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 78 D C 2.212 178.075 176.300 -0.729 0.000 0.984 78 D CA 0.814 54.602 54.000 -0.352 0.000 0.834 78 D CB -0.185 40.522 40.800 -0.154 0.000 0.955 78 D HN 0.320 nan 8.370 nan 0.000 0.465 79 R N 0.397 120.410 120.500 -0.812 0.000 2.096 79 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 79 R C 2.230 178.291 176.300 -0.398 0.000 1.127 79 R CA 0.764 56.425 56.100 -0.732 0.000 0.968 79 R CB -0.311 29.799 30.300 -0.316 0.000 0.861 79 R HN 0.088 nan 8.270 nan 0.000 0.440 80 L N 0.475 121.467 121.223 -0.386 0.000 2.141 80 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 80 L C 1.955 178.549 176.870 -0.459 0.000 1.094 80 L CA 1.257 55.872 54.840 -0.376 0.000 0.763 80 L CB -0.109 41.699 42.059 -0.418 0.000 0.908 80 L HN 0.009 nan 8.230 nan 0.000 0.437 81 V N -0.304 119.335 119.914 -0.457 0.000 2.358 81 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 81 V C 2.554 178.476 176.094 -0.286 0.000 1.047 81 V CA 1.956 64.011 62.300 -0.408 0.000 1.035 81 V CB -0.547 31.119 31.823 -0.263 0.000 0.658 81 V HN 0.589 nan 8.190 nan 0.000 0.452 82 E N 0.034 120.143 120.200 -0.152 0.000 2.077 82 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 82 E C 2.202 178.763 176.600 -0.065 0.000 0.989 82 E CA 1.584 57.992 56.400 0.014 0.000 0.800 82 E CB 0.014 29.793 29.700 0.131 0.000 0.746 82 E HN 0.427 nan 8.360 nan 0.000 0.452 83 V N 1.881 121.696 119.914 -0.165 0.000 2.407 83 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 83 V C 2.513 178.459 176.094 -0.247 0.000 1.055 83 V CA 1.776 63.956 62.300 -0.200 0.000 1.049 83 V CB -0.500 31.202 31.823 -0.201 0.000 0.662 83 V HN 0.495 nan 8.190 nan 0.000 0.455 84 M N -0.324 119.034 119.600 -0.403 0.000 2.149 84 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 84 M C 2.221 178.359 176.300 -0.271 0.000 1.064 84 M CA 2.006 56.990 55.300 -0.526 0.000 1.102 84 M CB -0.973 31.110 32.600 -0.862 0.000 1.369 84 M HN 0.446 nan 8.290 nan 0.000 0.408 85 H N 0.190 119.175 119.070 -0.141 0.000 2.421 85 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 85 H C 1.870 177.160 175.328 -0.064 0.000 1.087 85 H CA 1.423 57.424 56.048 -0.079 0.000 1.330 85 H CB -0.063 29.658 29.762 -0.068 0.000 1.388 85 H HN 0.498 nan 8.280 nan 0.000 0.526 86 K N 0.221 120.630 120.400 0.016 0.000 2.242 86 K HA 0.124 4.444 4.320 -0.000 0.000 0.200 86 K C 0.303 176.842 176.600 -0.103 0.000 1.050 86 K CA 0.199 56.457 56.287 -0.048 0.000 0.981 86 K CB 0.972 33.416 32.500 -0.094 0.000 0.795 86 K HN -0.119 nan 8.250 nan 0.000 0.477 87 V N 2.771 122.598 119.914 -0.144 0.000 2.328 87 V HA 0.133 4.253 4.120 -0.000 0.000 0.278 87 V C -0.355 175.769 176.094 0.051 0.000 1.021 87 V CA -0.823 61.388 62.300 -0.149 0.000 0.838 87 V CB 1.176 32.752 31.823 -0.411 0.000 0.999 87 V HN 0.163 nan 8.190 nan 0.000 0.447 88 E N 3.846 124.073 120.200 0.045 0.000 2.338 88 E HA 0.637 4.987 4.350 -0.000 0.000 0.272 88 E C -0.261 176.323 176.600 -0.026 0.000 1.029 88 E CA -0.036 56.402 56.400 0.063 0.000 0.872 88 E CB 1.116 30.844 29.700 0.046 0.000 1.015 88 E HN 0.890 nan 8.360 nan 0.000 0.417 89 A N 3.971 126.728 122.820 -0.105 0.000 2.597 89 A HA 0.220 4.540 4.320 -0.000 0.000 0.292 89 A C -0.576 176.858 177.584 -0.251 0.000 1.057 89 A CA -0.685 51.155 52.037 -0.328 0.000 0.674 89 A CB 1.250 19.784 19.000 -0.776 0.000 1.278 89 A HN 0.715 nan 8.150 nan 0.000 0.416 90 D N -0.126 120.162 120.400 -0.186 0.000 2.277 90 D HA 0.192 4.832 4.640 -0.000 0.000 0.209 90 D C 0.127 176.394 176.300 -0.055 0.000 0.970 90 D CA 1.420 55.382 54.000 -0.062 0.000 0.874 90 D CB 0.434 41.215 40.800 -0.031 0.000 0.982 90 D HN 0.481 nan 8.370 nan 0.000 0.504 91 I N 0.597 121.062 120.570 -0.176 0.000 2.499 91 I HA 0.207 4.377 4.170 -0.000 0.000 0.288 91 I C -1.324 174.670 176.117 -0.205 0.000 1.048 91 I CA -0.828 60.428 61.300 -0.073 0.000 1.062 91 I CB 1.893 39.880 38.000 -0.023 0.000 1.238 91 I HN -0.258 nan 8.210 nan 0.000 0.426 92 Y N 6.242 126.595 120.300 0.089 0.000 2.335 92 Y HA 0.583 5.133 4.550 -0.000 0.000 0.338 92 Y C -0.060 175.928 175.900 0.148 0.000 0.977 92 Y CA -0.648 57.509 58.100 0.096 0.000 1.114 92 Y CB 1.565 40.065 38.460 0.066 0.000 1.182 92 Y HN 0.323 nan 8.280 nan 0.000 0.463 93 I N 3.238 123.946 120.570 0.231 0.000 2.354 93 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 93 I C -0.577 175.662 176.117 0.205 0.000 0.989 93 I CA -0.642 60.767 61.300 0.181 0.000 1.188 93 I CB 1.318 39.373 38.000 0.091 0.000 1.342 93 I HN 0.561 nan 8.210 nan 0.000 0.457 94 N N 7.170 126.012 118.700 0.237 0.000 2.469 94 N HA 0.467 5.207 4.740 -0.000 0.000 0.253 94 N C -1.235 174.379 175.510 0.174 0.000 0.970 94 N CA -0.259 52.923 53.050 0.219 0.000 0.940 94 N CB 0.825 39.487 38.487 0.292 0.000 1.128 94 N HN 0.462 nan 8.380 nan 0.000 0.503 95 L N 1.971 123.269 121.223 0.125 0.000 2.334 95 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 95 L C 0.140 177.063 176.870 0.089 0.000 1.036 95 L CA -1.063 53.830 54.840 0.088 0.000 0.807 95 L CB 1.499 43.597 42.059 0.065 0.000 1.231 95 L HN 0.330 nan 8.230 nan 0.000 0.438 96 Q N 1.239 121.081 119.800 0.069 0.000 2.286 96 Q HA 0.146 4.486 4.340 -0.000 0.000 0.257 96 Q C 0.895 176.935 176.000 0.067 0.000 0.941 96 Q CA 0.005 55.847 55.803 0.066 0.000 0.912 96 Q CB 1.429 30.195 28.738 0.046 0.000 1.192 96 Q HN 0.836 nan 8.270 nan 0.000 0.410 97 G N 1.923 110.769 108.800 0.077 0.000 2.776 97 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.209 97 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.209 97 G C 0.278 175.219 174.900 0.069 0.000 1.145 97 G CA 0.388 45.541 45.100 0.088 0.000 0.791 97 G HN 0.614 nan 8.290 nan 0.000 0.530 98 D N -0.844 119.585 120.400 0.048 0.000 2.501 98 D HA 0.079 4.719 4.640 -0.000 0.000 0.224 98 D C 0.290 176.600 176.300 0.018 0.000 1.202 98 D CA -0.309 53.709 54.000 0.030 0.000 0.829 98 D CB -0.023 40.789 40.800 0.020 0.000 1.023 98 D HN 0.254 nan 8.370 nan 0.000 0.499 99 E N 1.721 121.934 120.200 0.021 0.000 2.683 99 E HA 0.158 4.508 4.350 -0.000 0.000 0.224 99 E C -1.851 174.753 176.600 0.006 0.000 1.046 99 E CA -1.658 54.745 56.400 0.006 0.000 0.811 99 E CB 1.694 31.396 29.700 0.003 0.000 1.296 99 E HN 0.076 nan 8.360 nan 0.000 0.421 100 P HA -0.131 nan 4.420 nan 0.000 0.226 100 P C 0.840 178.122 177.300 -0.030 0.000 1.153 100 P CA 0.965 64.060 63.100 -0.008 0.000 0.777 100 P CB 0.241 31.899 31.700 -0.071 0.000 0.794 101 M N -0.763 118.814 119.600 -0.039 0.000 2.493 101 M HA 0.126 4.606 4.480 -0.000 0.000 0.244 101 M C 0.695 176.978 176.300 -0.028 0.000 1.182 101 M CA -0.825 54.450 55.300 -0.042 0.000 0.981 101 M CB -0.269 32.299 32.600 -0.053 0.000 1.551 101 M HN -0.123 nan 8.290 nan 0.000 0.476 102 I N 2.059 122.619 120.570 -0.016 0.000 2.845 102 I HA -0.087 4.083 4.170 -0.000 0.000 0.296 102 I C 0.316 176.422 176.117 -0.018 0.000 1.216 102 I CA 0.654 61.945 61.300 -0.015 0.000 1.438 102 I CB 0.320 38.318 38.000 -0.005 0.000 1.342 102 I HN 0.210 nan 8.210 nan 0.000 0.577 103 R N 8.341 128.827 120.500 -0.023 0.000 2.221 103 R HA 0.263 4.603 4.340 -0.000 0.000 0.327 103 R C -1.727 174.558 176.300 -0.025 0.000 1.033 103 R CA -1.364 54.721 56.100 -0.024 0.000 0.887 103 R CB 0.568 30.851 30.300 -0.029 0.000 1.057 103 R HN 0.497 nan 8.270 nan 0.000 0.455 104 P HA -0.182 nan 4.420 nan 0.000 0.217 104 P C 0.940 178.220 177.300 -0.033 0.000 1.151 104 P CA 1.103 64.185 63.100 -0.029 0.000 0.849 104 P CB 0.310 31.994 31.700 -0.027 0.000 0.787 105 R N -0.420 120.061 120.500 -0.032 0.000 2.120 105 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 105 R C 1.673 177.947 176.300 -0.043 0.000 1.123 105 R CA 1.365 57.443 56.100 -0.037 0.000 0.975 105 R CB -1.332 28.950 30.300 -0.031 0.000 0.866 105 R HN 0.208 nan 8.270 nan 0.000 0.446 106 D N -0.921 119.457 120.400 -0.037 0.000 2.144 106 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 106 D C 1.746 178.016 176.300 -0.050 0.000 0.978 106 D CA 1.003 54.982 54.000 -0.036 0.000 0.833 106 D CB -0.047 40.741 40.800 -0.020 0.000 0.961 106 D HN 0.022 nan 8.370 nan 0.000 0.470 107 V N 1.098 120.985 119.914 -0.045 0.000 2.427 107 V HA -0.180 3.939 4.120 -0.000 0.000 0.248 107 V C 2.208 178.260 176.094 -0.069 0.000 1.051 107 V CA 1.404 63.675 62.300 -0.048 0.000 1.048 107 V CB -0.463 31.340 31.823 -0.033 0.000 0.666 107 V HN 0.168 nan 8.190 nan 0.000 0.456 108 E N 0.035 120.193 120.200 -0.069 0.000 2.110 108 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 108 E C 2.316 178.842 176.600 -0.124 0.000 0.988 108 E CA 1.730 58.081 56.400 -0.081 0.000 0.804 108 E CB -0.251 29.411 29.700 -0.064 0.000 0.745 108 E HN 0.555 nan 8.360 nan 0.000 0.458 109 T N 1.400 115.869 114.554 -0.142 0.000 2.746 109 T HA -0.151 4.198 4.350 -0.000 0.000 0.267 109 T C 1.796 176.255 174.700 -0.402 0.000 1.039 109 T CA 0.823 62.786 62.100 -0.228 0.000 1.142 109 T CB -0.198 68.568 68.868 -0.169 0.000 0.866 109 T HN 0.036 nan 8.240 nan 0.000 0.444 110 L N 0.796 121.842 121.223 -0.296 0.000 2.017 110 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 110 L C 2.202 178.928 176.870 -0.240 0.000 1.073 110 L CA 1.522 56.184 54.840 -0.296 0.000 0.745 110 L CB -0.659 41.340 42.059 -0.102 0.000 0.894 110 L HN 0.240 nan 8.230 nan 0.000 0.432 111 L N -1.067 120.064 121.223 -0.153 0.000 2.083 111 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 111 L C 2.592 179.391 176.870 -0.117 0.000 1.083 111 L CA 1.400 56.180 54.840 -0.100 0.000 0.752 111 L CB -0.254 41.763 42.059 -0.070 0.000 0.899 111 L HN 0.430 nan 8.230 nan 0.000 0.433 112 Q N -0.026 119.677 119.800 -0.162 0.000 2.124 112 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 112 Q C 1.950 177.854 176.000 -0.160 0.000 0.977 112 Q CA 1.909 57.627 55.803 -0.143 0.000 0.850 112 Q CB -0.628 28.023 28.738 -0.146 0.000 0.901 112 Q HN 0.470 nan 8.270 nan 0.000 0.429 113 G N -0.003 108.601 108.800 -0.326 0.000 2.418 113 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 113 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 113 G C 1.301 176.217 174.900 0.028 0.000 1.158 113 G CA 1.083 46.035 45.100 -0.246 0.000 0.771 113 G HN 0.281 nan 8.290 nan 0.000 0.545 114 M N 0.202 119.801 119.600 -0.002 0.000 2.175 114 M HA 0.045 4.525 4.480 -0.000 0.000 0.264 114 M C 2.597 178.917 176.300 0.032 0.000 1.063 114 M CA 1.024 56.354 55.300 0.050 0.000 1.119 114 M CB -0.848 31.773 32.600 0.036 0.000 1.377 114 M HN 0.217 nan 8.290 nan 0.000 0.415 115 R N 0.020 120.521 120.500 0.001 0.000 2.115 115 R HA -0.106 4.234 4.340 -0.000 0.000 0.226 115 R C 1.517 177.824 176.300 0.012 0.000 1.100 115 R CA 0.989 57.090 56.100 0.002 0.000 0.980 115 R CB -0.204 30.087 30.300 -0.015 0.000 0.875 115 R HN 0.341 nan 8.270 nan 0.000 0.445 116 D N 0.299 120.708 120.400 0.015 0.000 2.269 116 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 116 D C -0.116 176.212 176.300 0.046 0.000 0.963 116 D CA 1.132 55.149 54.000 0.028 0.000 0.864 116 D CB 0.042 40.861 40.800 0.031 0.000 0.936 116 D HN 0.045 nan 8.370 nan 0.000 0.505 117 D N -1.221 119.215 120.400 0.060 0.000 2.358 117 D HA 0.177 4.817 4.640 -0.000 0.000 0.253 117 D C -2.135 174.200 176.300 0.058 0.000 1.288 117 D CA -2.026 52.012 54.000 0.063 0.000 0.950 117 D CB 1.839 42.690 40.800 0.083 0.000 1.197 117 D HN -0.215 nan 8.370 nan 0.000 0.550 118 P HA -0.009 nan 4.420 nan 0.000 0.222 118 P C 0.848 178.177 177.300 0.048 0.000 1.147 118 P CA 0.735 63.861 63.100 0.042 0.000 0.790 118 P CB 0.395 32.115 31.700 0.033 0.000 0.780 119 A N -1.264 121.585 122.820 0.048 0.000 2.218 119 A HA 0.059 4.379 4.320 -0.000 0.000 0.209 119 A C 0.874 178.492 177.584 0.057 0.000 1.168 119 A CA -0.022 52.043 52.037 0.048 0.000 0.804 119 A CB -0.945 18.079 19.000 0.040 0.000 0.834 119 A HN 0.144 nan 8.150 nan 0.000 0.482 120 L N 0.991 122.254 121.223 0.067 0.000 2.433 120 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 120 L C -1.785 175.138 176.870 0.088 0.000 1.128 120 L CA -1.583 53.304 54.840 0.079 0.000 0.875 120 L CB 0.988 43.107 42.059 0.101 0.000 1.171 120 L HN -0.018 nan 8.230 nan 0.000 0.463 121 P HA 0.036 nan 4.420 nan 0.000 0.217 121 P C -0.713 176.661 177.300 0.123 0.000 1.154 121 P CA 0.549 63.714 63.100 0.109 0.000 0.841 121 P CB 0.391 32.156 31.700 0.109 0.000 0.790 122 V N -1.228 118.746 119.914 0.100 0.000 2.888 122 V HA 0.752 4.872 4.120 -0.000 0.000 0.309 122 V C -0.718 175.421 176.094 0.076 0.000 1.114 122 V CA -1.028 61.303 62.300 0.051 0.000 0.940 122 V CB 1.923 33.773 31.823 0.046 0.000 1.021 122 V HN 0.072 nan 8.190 nan 0.000 0.426 123 A N 1.933 124.795 122.820 0.071 0.000 2.498 123 A HA 0.988 5.308 4.320 -0.000 0.000 0.298 123 A C -0.556 177.098 177.584 0.117 0.000 1.075 123 A CA -0.449 51.689 52.037 0.170 0.000 0.714 123 A CB 2.402 21.608 19.000 0.344 0.000 1.299 123 A HN 0.901 nan 8.150 nan 0.000 0.407 124 T N 0.083 114.724 114.554 0.145 0.000 2.731 124 T HA 0.684 5.034 4.350 -0.000 0.000 0.300 124 T C -1.468 173.318 174.700 0.143 0.000 1.283 124 T CA -0.406 61.714 62.100 0.034 0.000 1.005 124 T CB 0.779 69.604 68.868 -0.072 0.000 1.420 124 T HN 0.623 nan 8.240 nan 0.000 0.503 125 L N 1.241 122.510 121.223 0.076 0.000 2.303 125 L HA 0.902 5.242 4.340 -0.000 0.000 0.266 125 L C -0.352 176.592 176.870 0.123 0.000 1.011 125 L CA -1.001 53.905 54.840 0.110 0.000 0.818 125 L CB 2.013 44.101 42.059 0.048 0.000 1.326 125 L HN 1.006 nan 8.230 nan 0.000 0.435 126 C N -0.629 118.737 119.300 0.111 0.000 3.285 126 C HA 0.857 5.317 4.460 -0.000 0.000 0.325 126 C C -1.044 174.004 174.990 0.097 0.000 1.304 126 C CA -0.702 58.356 59.018 0.066 0.000 1.319 126 C CB 1.216 28.989 27.740 0.055 0.000 1.640 126 C HN 0.996 nan 8.230 nan 0.000 0.477 127 H N 0.289 119.384 119.070 0.041 0.000 3.012 127 H HA 0.819 5.375 4.556 -0.000 0.000 0.367 127 H C -0.410 174.940 175.328 0.036 0.000 1.211 127 H CA 0.062 56.128 56.048 0.031 0.000 1.139 127 H CB 0.996 30.769 29.762 0.019 0.000 1.838 127 H HN 1.317 nan 8.280 nan 0.000 0.550 128 A N 2.315 125.257 122.820 0.203 0.000 2.462 128 A HA 0.515 4.835 4.320 -0.000 0.000 0.243 128 A C 0.192 177.895 177.584 0.199 0.000 1.076 128 A CA 0.157 52.278 52.037 0.141 0.000 0.773 128 A CB -0.737 18.325 19.000 0.104 0.000 1.010 128 A HN 0.807 nan 8.150 nan 0.000 0.493 129 I N -0.509 120.140 120.570 0.132 0.000 3.074 129 I HA 0.698 4.867 4.170 -0.000 0.000 0.310 129 I C 0.195 176.387 176.117 0.126 0.000 1.153 129 I CA -0.792 60.583 61.300 0.124 0.000 0.993 129 I CB 2.127 40.166 38.000 0.066 0.000 1.237 129 I HN 0.611 nan 8.210 nan 0.000 0.443 130 S N 2.441 118.190 115.700 0.081 0.000 2.614 130 S HA 0.542 5.012 4.470 -0.000 0.000 0.265 130 S C 1.188 175.793 174.600 0.008 0.000 1.303 130 S CA -0.063 58.178 58.200 0.068 0.000 1.000 130 S CB 1.537 64.756 63.200 0.031 0.000 0.935 130 S HN 1.019 nan 8.310 nan 0.000 0.551 131 A N 1.477 124.299 122.820 0.003 0.000 1.933 131 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 131 A C 2.370 179.811 177.584 -0.237 0.000 1.175 131 A CA 1.732 53.644 52.037 -0.209 0.000 0.628 131 A CB -1.655 17.321 19.000 -0.040 0.000 0.814 131 A HN 1.333 nan 8.150 nan 0.000 0.444 132 A N -0.198 122.554 122.820 -0.114 0.000 1.902 132 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 132 A C 1.941 179.466 177.584 -0.099 0.000 1.181 132 A CA 1.557 53.538 52.037 -0.093 0.000 0.623 132 A CB -0.474 18.496 19.000 -0.049 0.000 0.818 132 A HN 0.619 nan 8.150 nan 0.000 0.443 133 E N -0.323 119.827 120.200 -0.083 0.000 2.106 133 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 133 E C 2.193 178.729 176.600 -0.107 0.000 0.984 133 E CA 0.810 57.172 56.400 -0.064 0.000 0.806 133 E CB -0.253 29.435 29.700 -0.020 0.000 0.750 133 E HN 0.609 nan 8.360 nan 0.000 0.458 134 A N 1.352 124.048 122.820 -0.207 0.000 2.121 134 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 134 A C 2.302 179.740 177.584 -0.243 0.000 1.154 134 A CA 1.276 53.136 52.037 -0.295 0.000 0.679 134 A CB -0.337 18.219 19.000 -0.741 0.000 0.795 134 A HN 0.265 nan 8.150 nan 0.000 0.458 135 A N -0.370 122.327 122.820 -0.205 0.000 2.015 135 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 135 A C 0.797 178.340 177.584 -0.069 0.000 1.163 135 A CA 0.502 52.459 52.037 -0.132 0.000 0.646 135 A CB -0.158 18.776 19.000 -0.110 0.000 0.806 135 A HN 0.388 nan 8.150 nan 0.000 0.448 136 E N 0.481 120.647 120.200 -0.058 0.000 2.324 136 E HA 0.115 4.465 4.350 -0.000 0.000 0.271 136 E C -1.721 174.871 176.600 -0.012 0.000 1.028 136 E CA -2.262 54.122 56.400 -0.027 0.000 0.890 136 E CB 0.547 30.234 29.700 -0.021 0.000 1.004 136 E HN 0.301 nan 8.360 nan 0.000 0.431 137 P HA -0.097 nan 4.420 nan 0.000 0.230 137 P C 0.872 178.185 177.300 0.020 0.000 1.158 137 P CA 0.725 63.835 63.100 0.016 0.000 0.769 137 P CB 0.364 32.077 31.700 0.021 0.000 0.807 138 S N -2.190 113.518 115.700 0.014 0.000 2.527 138 S HA 0.039 4.509 4.470 -0.000 0.000 0.222 138 S C 0.943 175.554 174.600 0.019 0.000 0.985 138 S CA 0.199 58.409 58.200 0.017 0.000 0.921 138 S CB -1.070 62.138 63.200 0.012 0.000 0.772 138 S HN 0.005 nan 8.310 nan 0.000 0.529 139 T N 2.721 117.284 114.554 0.015 0.000 2.767 139 T HA 0.537 4.887 4.350 -0.000 0.000 0.284 139 T C -0.539 174.183 174.700 0.036 0.000 0.973 139 T CA -0.467 61.642 62.100 0.015 0.000 0.996 139 T CB 1.622 70.487 68.868 -0.005 0.000 0.927 139 T HN 0.061 nan 8.240 nan 0.000 0.456 140 V N 4.853 124.807 119.914 0.067 0.000 2.406 140 V HA 0.377 4.497 4.120 -0.000 0.000 0.272 140 V C 0.203 176.374 176.094 0.129 0.000 1.043 140 V CA -0.728 61.643 62.300 0.118 0.000 0.915 140 V CB 1.037 32.980 31.823 0.199 0.000 0.988 140 V HN 0.653 nan 8.190 nan 0.000 0.466 141 K N 3.105 123.565 120.400 0.100 0.000 2.098 141 K HA 0.744 5.064 4.320 -0.000 0.000 0.258 141 K C -0.744 175.863 176.600 0.012 0.000 0.973 141 K CA -0.400 55.935 56.287 0.080 0.000 0.898 141 K CB 1.975 34.543 32.500 0.113 0.000 1.057 141 K HN 0.446 nan 8.250 nan 0.000 0.447 142 V N 1.970 121.839 119.914 -0.075 0.000 2.925 142 V HA 0.626 4.746 4.120 -0.000 0.000 0.311 142 V C -1.527 174.436 176.094 -0.218 0.000 1.104 142 V CA -0.763 61.345 62.300 -0.320 0.000 0.954 142 V CB 2.168 33.664 31.823 -0.546 0.000 1.022 142 V HN 0.405 nan 8.190 nan 0.000 0.427 143 V N 6.258 126.026 119.914 -0.244 0.000 2.604 143 V HA 0.719 4.839 4.120 -0.000 0.000 0.305 143 V C -0.208 175.772 176.094 -0.190 0.000 1.043 143 V CA -0.191 62.016 62.300 -0.156 0.000 0.888 143 V CB 1.894 33.670 31.823 -0.078 0.000 0.995 143 V HN 1.008 nan 8.190 nan 0.000 0.429 144 V N 1.925 121.747 119.914 -0.153 0.000 3.046 144 V HA 0.799 4.919 4.120 -0.000 0.000 0.316 144 V C -0.352 175.680 176.094 -0.104 0.000 1.104 144 V CA -0.848 61.364 62.300 -0.146 0.000 1.006 144 V CB 2.077 33.807 31.823 -0.156 0.000 1.058 144 V HN 0.907 nan 8.190 nan 0.000 0.440 145 N N 0.454 119.098 118.700 -0.093 0.000 2.495 145 N HA 0.275 5.015 4.740 -0.000 0.000 0.294 145 N C 1.124 176.594 175.510 -0.066 0.000 1.276 145 N CA 0.242 53.251 53.050 -0.069 0.000 0.973 145 N CB -0.078 38.376 38.487 -0.055 0.000 1.143 145 N HN 0.913 nan 8.380 nan 0.000 0.589 146 T N -2.816 111.707 114.554 -0.051 0.000 2.929 146 T HA -0.080 4.270 4.350 -0.000 0.000 0.271 146 T C 1.296 175.967 174.700 -0.048 0.000 1.085 146 T CA 0.958 63.032 62.100 -0.044 0.000 1.125 146 T CB -0.272 68.578 68.868 -0.031 0.000 0.874 146 T HN 0.492 nan 8.240 nan 0.000 0.494 147 R N 0.887 121.354 120.500 -0.055 0.000 2.310 147 R HA 0.193 4.533 4.340 -0.000 0.000 0.202 147 R C 0.736 176.969 176.300 -0.111 0.000 0.933 147 R CA 0.127 56.190 56.100 -0.062 0.000 1.054 147 R CB -0.098 30.172 30.300 -0.049 0.000 0.985 147 R HN 0.527 nan 8.270 nan 0.000 0.489 148 Q N -0.045 119.680 119.800 -0.124 0.000 2.424 148 Q HA -0.155 4.185 4.340 -0.000 0.000 0.234 148 Q C -0.964 174.910 176.000 -0.210 0.000 0.748 148 Q CA 0.845 56.537 55.803 -0.185 0.000 1.286 148 Q CB -1.046 27.532 28.738 -0.266 0.000 1.494 148 Q HN 0.346 nan 8.270 nan 0.000 0.683 149 D N 0.498 120.808 120.400 -0.149 0.000 2.382 149 D HA 0.393 5.033 4.640 -0.000 0.000 0.245 149 D C 0.305 176.527 176.300 -0.130 0.000 1.120 149 D CA 0.466 54.393 54.000 -0.121 0.000 0.890 149 D CB 0.769 41.527 40.800 -0.070 0.000 1.201 149 D HN 0.329 nan 8.370 nan 0.000 0.433 150 A N 2.403 125.142 122.820 -0.135 0.000 2.440 150 A HA 0.218 4.538 4.320 -0.000 0.000 0.251 150 A C 1.208 178.710 177.584 -0.137 0.000 1.089 150 A CA -0.249 51.648 52.037 -0.235 0.000 0.779 150 A CB 0.223 18.985 19.000 -0.396 0.000 1.022 150 A HN 0.683 nan 8.150 nan 0.000 0.492 151 L N 0.767 121.904 121.223 -0.145 0.000 2.221 151 L HA 0.222 4.562 4.340 -0.000 0.000 0.202 151 L C 0.237 177.152 176.870 0.075 0.000 1.074 151 L CA 0.799 55.621 54.840 -0.031 0.000 0.795 151 L CB -0.057 41.985 42.059 -0.028 0.000 0.960 151 L HN 0.782 nan 8.230 nan 0.000 0.458 152 Y N -1.357 118.821 120.300 -0.203 0.000 2.662 152 Y HA 0.449 4.999 4.550 -0.000 0.000 0.334 152 Y C -1.761 173.975 175.900 -0.275 0.000 1.185 152 Y CA -1.821 56.212 58.100 -0.112 0.000 1.074 152 Y CB 1.275 39.718 38.460 -0.028 0.000 1.330 152 Y HN -0.219 nan 8.280 nan 0.000 0.458 153 F N 2.415 121.944 119.950 -0.703 0.000 2.520 153 F HA 0.746 5.273 4.527 -0.000 0.000 0.322 153 F C 0.013 175.362 175.800 -0.752 0.000 1.103 153 F CA -0.537 57.153 58.000 -0.516 0.000 0.926 153 F CB 2.325 41.093 39.000 -0.386 0.000 1.154 153 F HN 0.376 nan 8.300 nan 0.000 0.453 154 S N 1.375 116.982 115.700 -0.155 0.000 2.565 154 S HA 0.454 4.924 4.470 -0.000 0.000 0.269 154 S C 0.266 174.894 174.600 0.046 0.000 1.153 154 S CA -0.752 57.410 58.200 -0.062 0.000 0.835 154 S CB 1.553 64.824 63.200 0.119 0.000 1.122 154 S HN 0.736 nan 8.310 nan 0.000 0.462 155 R N 0.786 121.324 120.500 0.063 0.000 2.240 155 R HA 0.225 4.565 4.340 -0.000 0.000 0.203 155 R C 0.340 176.680 176.300 0.067 0.000 1.011 155 R CA 0.255 56.391 56.100 0.060 0.000 1.007 155 R CB 0.031 30.364 30.300 0.054 0.000 0.911 155 R HN 0.421 nan 8.270 nan 0.000 0.468 156 S N 1.738 117.497 115.700 0.099 0.000 2.580 156 S HA 0.198 4.668 4.470 -0.000 0.000 0.274 156 S C -2.376 172.292 174.600 0.113 0.000 1.329 156 S CA -1.089 57.176 58.200 0.109 0.000 1.036 156 S CB 1.212 64.501 63.200 0.148 0.000 0.919 156 S HN -0.076 nan 8.310 nan 0.000 0.515 157 P HA 0.251 nan 4.420 nan 0.000 0.269 157 P C -0.809 176.638 177.300 0.245 0.000 1.252 157 P CA -0.019 63.138 63.100 0.095 0.000 0.780 157 P CB -0.210 31.470 31.700 -0.034 0.000 0.829 158 I N 2.054 122.805 120.570 0.301 0.000 2.545 158 I HA 0.665 4.835 4.170 -0.000 0.000 0.292 158 I C -2.666 173.568 176.117 0.195 0.000 1.040 158 I CA -3.334 58.115 61.300 0.248 0.000 1.068 158 I CB 2.757 40.872 38.000 0.192 0.000 1.251 158 I HN 0.071 nan 8.210 nan 0.000 0.424 159 P HA 0.035 nan 4.420 nan 0.000 0.274 159 P C -1.042 176.356 177.300 0.162 0.000 1.231 159 P CA 0.067 63.196 63.100 0.049 0.000 0.790 159 P CB 0.643 32.302 31.700 -0.068 0.000 0.951 160 Y N 4.807 125.157 120.300 0.083 0.000 2.610 160 Y HA 0.097 4.647 4.550 0.000 0.000 0.332 160 Y C -1.376 174.579 175.900 0.091 0.000 1.201 160 Y CA -1.299 56.861 58.100 0.099 0.000 1.465 160 Y CB 0.050 38.544 38.460 0.057 0.000 1.283 160 Y HN 0.274 nan 8.280 nan 0.000 0.563 161 P HA 0.133 nan 4.420 nan 0.000 0.225 161 P C -0.097 177.052 177.300 -0.251 0.000 1.813 161 P CA -0.109 62.823 63.100 -0.281 0.000 1.013 161 P CB 0.606 32.195 31.700 -0.185 0.000 1.961 162 R N 2.866 123.391 120.500 0.041 0.000 2.062 162 R HA -0.007 4.333 4.340 -0.000 0.000 0.231 162 R C 0.502 176.843 176.300 0.069 0.000 1.136 162 R CA 1.452 57.666 56.100 0.192 0.000 0.948 162 R CB -0.321 30.135 30.300 0.260 0.000 0.845 162 R HN 0.153 nan 8.270 nan 0.000 0.430 163 N N 0.663 119.387 118.700 0.039 0.000 2.817 163 N HA 0.205 4.945 4.740 -0.000 0.000 0.234 163 N C -0.160 175.348 175.510 -0.004 0.000 1.066 163 N CA 0.521 53.581 53.050 0.016 0.000 0.926 163 N CB 1.511 40.006 38.487 0.014 0.000 1.176 163 N HN 0.320 nan 8.380 nan 0.000 0.506 164 A N 2.050 124.864 122.820 -0.011 0.000 1.917 164 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 164 A C 1.644 179.229 177.584 0.002 0.000 1.182 164 A CA 1.599 53.630 52.037 -0.010 0.000 0.633 164 A CB -0.164 18.827 19.000 -0.015 0.000 0.819 164 A HN 0.515 nan 8.150 nan 0.000 0.448 165 E N 0.306 120.506 120.200 -0.001 0.000 2.338 165 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 165 E C 1.455 178.048 176.600 -0.012 0.000 1.007 165 E CA 1.027 57.426 56.400 -0.001 0.000 0.849 165 E CB -0.078 29.621 29.700 -0.001 0.000 0.774 165 E HN 0.465 nan 8.360 nan 0.000 0.506 166 K N 0.309 120.695 120.400 -0.023 0.000 2.379 166 K HA 0.295 4.615 4.320 -0.000 0.000 0.194 166 K C 0.461 177.015 176.600 -0.077 0.000 1.031 166 K CA 0.340 56.604 56.287 -0.039 0.000 1.037 166 K CB 0.442 32.923 32.500 -0.031 0.000 0.824 166 K HN 0.148 nan 8.250 nan 0.000 0.516 167 A N 2.030 124.792 122.820 -0.096 0.000 2.401 167 A HA 0.335 4.655 4.320 -0.000 0.000 0.259 167 A C -0.179 177.238 177.584 -0.278 0.000 1.103 167 A CA -0.171 51.726 52.037 -0.232 0.000 0.789 167 A CB 0.248 19.105 19.000 -0.237 0.000 1.035 167 A HN 0.199 nan 8.150 nan 0.000 0.491 168 R N 2.083 122.339 120.500 -0.407 0.000 2.513 168 R HA 0.526 4.866 4.340 -0.000 0.000 0.301 168 R C -1.920 174.100 176.300 -0.467 0.000 0.968 168 R CA -0.416 55.515 56.100 -0.282 0.000 0.872 168 R CB 0.958 31.172 30.300 -0.144 0.000 1.177 168 R HN 0.729 nan 8.270 nan 0.000 0.444 169 Y N 3.823 124.111 120.300 -0.021 0.000 2.361 169 Y HA 0.459 5.008 4.550 -0.000 0.000 0.332 169 Y C -0.096 175.783 175.900 -0.035 0.000 1.101 169 Y CA -0.662 57.421 58.100 -0.028 0.000 1.137 169 Y CB 1.691 40.136 38.460 -0.025 0.000 1.207 169 Y HN 0.311 nan 8.280 nan 0.000 0.463 170 L N 3.472 124.745 121.223 0.084 0.000 2.381 170 L HA 0.470 4.810 4.340 -0.000 0.000 0.274 170 L C -0.498 176.362 176.870 -0.017 0.000 0.988 170 L CA -0.920 53.923 54.840 0.004 0.000 0.824 170 L CB 1.968 44.007 42.059 -0.033 0.000 1.263 170 L HN 0.511 nan 8.230 nan 0.000 0.410 171 K N 1.965 122.282 120.400 -0.139 0.000 2.172 171 K HA 0.245 4.565 4.320 -0.000 0.000 0.276 171 K C -0.628 175.911 176.600 -0.103 0.000 1.013 171 K CA -0.634 55.554 56.287 -0.165 0.000 0.913 171 K CB 0.860 33.134 32.500 -0.376 0.000 1.055 171 K HN 0.511 nan 8.250 nan 0.000 0.461 172 H N 2.815 121.851 119.070 -0.057 0.000 2.690 172 H HA 0.209 4.765 4.556 -0.000 0.000 0.314 172 H C -1.223 174.083 175.328 -0.037 0.000 1.069 172 H CA -0.253 55.804 56.048 0.015 0.000 1.436 172 H CB 0.715 30.584 29.762 0.179 0.000 1.462 172 H HN 0.222 nan 8.280 nan 0.000 0.511 173 V N 5.560 125.231 119.914 -0.405 0.000 2.350 173 V HA 0.221 4.341 4.120 -0.000 0.000 0.276 173 V C 1.339 177.016 176.094 -0.695 0.000 1.028 173 V CA -0.058 62.018 62.300 -0.373 0.000 0.860 173 V CB 1.400 33.160 31.823 -0.105 0.000 0.990 173 V HN 1.081 nan 8.190 nan 0.000 0.453 174 G N 5.971 114.410 108.800 -0.601 0.000 3.297 174 G HA2 0.129 4.089 3.960 -0.000 0.000 0.225 174 G HA3 0.129 4.089 3.960 -0.000 0.000 0.225 174 G C 0.167 174.895 174.900 -0.287 0.000 1.171 174 G CA 0.118 44.926 45.100 -0.488 0.000 1.652 174 G HN 0.615 nan 8.290 nan 0.000 0.564 175 I N 0.027 120.372 120.570 -0.375 0.000 2.378 175 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 175 I C -0.837 175.106 176.117 -0.289 0.000 0.992 175 I CA -0.977 60.225 61.300 -0.164 0.000 1.154 175 I CB 1.612 39.557 38.000 -0.090 0.000 1.315 175 I HN 0.031 nan 8.210 nan 0.000 0.448 176 Y N 3.963 124.241 120.300 -0.037 0.000 2.536 176 Y HA 0.737 5.287 4.550 -0.000 0.000 0.347 176 Y C 0.056 175.841 175.900 -0.191 0.000 1.000 176 Y CA -0.987 57.005 58.100 -0.180 0.000 1.051 176 Y CB 2.109 40.325 38.460 -0.407 0.000 1.259 176 Y HN 0.525 nan 8.280 nan 0.000 0.468 177 A N 2.242 125.010 122.820 -0.087 0.000 2.330 177 A HA 0.791 5.111 4.320 -0.000 0.000 0.313 177 A C -2.032 175.480 177.584 -0.120 0.000 1.124 177 A CA -0.597 51.431 52.037 -0.016 0.000 0.774 177 A CB 0.250 19.268 19.000 0.030 0.000 1.198 177 A HN 0.689 nan 8.150 nan 0.000 0.465 178 Y N 0.839 121.227 120.300 0.145 0.000 2.409 178 Y HA 0.616 5.165 4.550 -0.000 0.000 0.343 178 Y C 0.585 176.572 175.900 0.145 0.000 0.973 178 Y CA -0.667 57.501 58.100 0.114 0.000 1.064 178 Y CB 1.752 40.236 38.460 0.040 0.000 1.207 178 Y HN 0.813 nan 8.280 nan 0.000 0.452 179 R N 1.363 122.026 120.500 0.273 0.000 2.594 179 R HA 0.202 4.542 4.340 -0.000 0.000 0.272 179 R C 1.576 178.009 176.300 0.223 0.000 1.074 179 R CA -0.076 56.146 56.100 0.202 0.000 1.105 179 R CB 0.522 30.907 30.300 0.142 0.000 1.008 179 R HN 0.808 nan 8.270 nan 0.000 0.472 180 R N 1.613 122.248 120.500 0.225 0.000 2.103 180 R HA -0.216 4.124 4.340 -0.000 0.000 0.242 180 R C 0.899 177.246 176.300 0.079 0.000 1.142 180 R CA 2.527 58.755 56.100 0.214 0.000 0.960 180 R CB -0.235 30.200 30.300 0.225 0.000 0.858 180 R HN 0.885 nan 8.270 nan 0.000 0.439 181 D N -0.753 119.694 120.400 0.079 0.000 2.263 181 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 181 D C 1.699 178.028 176.300 0.048 0.000 0.971 181 D CA 0.914 54.946 54.000 0.053 0.000 0.867 181 D CB -0.116 40.717 40.800 0.056 0.000 0.929 181 D HN 0.132 nan 8.370 nan 0.000 0.492 182 V N 0.446 120.402 119.914 0.071 0.000 2.379 182 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 182 V C 2.533 178.642 176.094 0.024 0.000 1.044 182 V CA 1.174 63.525 62.300 0.085 0.000 1.036 182 V CB -0.507 31.413 31.823 0.161 0.000 0.664 182 V HN 0.295 nan 8.190 nan 0.000 0.453 183 L N -0.566 120.602 121.223 -0.090 0.000 2.141 183 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 183 L C 2.615 179.394 176.870 -0.152 0.000 1.094 183 L CA 1.346 56.043 54.840 -0.238 0.000 0.763 183 L CB -0.554 41.234 42.059 -0.451 0.000 0.908 183 L HN 0.370 nan 8.230 nan 0.000 0.437 184 Q N -0.145 119.594 119.800 -0.102 0.000 2.167 184 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 184 Q C 1.264 177.269 176.000 0.008 0.000 0.970 184 Q CA 0.998 56.766 55.803 -0.058 0.000 0.855 184 Q CB 0.035 28.763 28.738 -0.018 0.000 0.911 184 Q HN 0.505 nan 8.270 nan 0.000 0.438 185 N N -0.791 117.924 118.700 0.025 0.000 2.236 185 N HA -0.031 4.709 4.740 -0.000 0.000 0.196 185 N C 0.798 176.328 175.510 0.034 0.000 1.114 185 N CA 0.137 53.205 53.050 0.030 0.000 0.859 185 N CB 0.210 38.714 38.487 0.028 0.000 0.982 185 N HN 0.264 nan 8.380 nan 0.000 0.493 186 Y N 2.555 122.808 120.300 -0.079 0.000 2.145 186 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 186 Y C 2.518 178.375 175.900 -0.071 0.000 1.145 186 Y CA 1.796 59.840 58.100 -0.094 0.000 1.148 186 Y CB -0.234 38.125 38.460 -0.168 0.000 0.981 186 Y HN 0.095 nan 8.280 nan 0.000 0.507 187 S N -0.818 114.881 115.700 -0.001 0.000 2.500 187 S HA -0.161 4.309 4.470 -0.000 0.000 0.239 187 S C 1.479 176.013 174.600 -0.110 0.000 0.989 187 S CA 0.976 59.142 58.200 -0.056 0.000 0.951 187 S CB -0.287 62.936 63.200 0.038 0.000 0.759 187 S HN 0.498 nan 8.310 nan 0.000 0.523 188 Q N 0.674 120.409 119.800 -0.108 0.000 2.424 188 Q HA 0.364 4.704 4.340 -0.000 0.000 0.204 188 Q C 0.350 176.273 176.000 -0.128 0.000 0.933 188 Q CA 0.105 55.855 55.803 -0.090 0.000 0.929 188 Q CB -0.246 28.462 28.738 -0.050 0.000 1.037 188 Q HN 0.596 nan 8.270 nan 0.000 0.511 189 L N 3.946 125.036 121.223 -0.222 0.000 2.367 189 L HA 0.190 4.530 4.340 -0.000 0.000 0.275 189 L C -1.805 174.946 176.870 -0.198 0.000 1.129 189 L CA -1.418 53.289 54.840 -0.223 0.000 0.839 189 L CB 0.128 41.986 42.059 -0.334 0.000 1.133 189 L HN -0.051 nan 8.230 nan 0.000 0.453 190 P HA 0.197 nan 4.420 nan 0.000 0.279 190 P C -0.814 176.434 177.300 -0.087 0.000 1.252 190 P CA -0.689 62.357 63.100 -0.091 0.000 0.811 190 P CB 0.873 32.540 31.700 -0.055 0.000 1.035 191 E N 0.332 120.494 120.200 -0.064 0.000 2.398 191 E HA 0.200 4.550 4.350 -0.000 0.000 0.263 191 E C 0.414 177.003 176.600 -0.018 0.000 1.046 191 E CA 0.018 56.394 56.400 -0.039 0.000 0.908 191 E CB 0.384 30.071 29.700 -0.021 0.000 0.963 191 E HN 0.471 nan 8.360 nan 0.000 0.431 192 S N 2.595 118.295 115.700 -0.000 0.000 2.681 192 S HA 0.202 4.672 4.470 -0.000 0.000 0.299 192 S C 0.861 175.479 174.600 0.029 0.000 1.113 192 S CA -0.912 57.298 58.200 0.017 0.000 1.013 192 S CB 1.609 64.829 63.200 0.033 0.000 1.076 192 S HN 0.626 nan 8.310 nan 0.000 0.534 193 M N 0.955 120.574 119.600 0.032 0.000 2.086 193 M HA 0.051 4.531 4.480 -0.000 0.000 0.261 193 M C -1.297 175.039 176.300 0.060 0.000 1.067 193 M CA 1.574 56.897 55.300 0.037 0.000 1.116 193 M CB -2.402 30.215 32.600 0.029 0.000 1.348 193 M HN 0.487 nan 8.290 nan 0.000 0.407 194 P HA -0.156 nan 4.420 nan 0.000 0.217 194 P C 1.339 178.708 177.300 0.115 0.000 1.150 194 P CA 1.409 64.593 63.100 0.140 0.000 0.832 194 P CB -0.274 31.564 31.700 0.229 0.000 0.787 195 E N 0.136 120.386 120.200 0.084 0.000 2.058 195 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 195 E C 1.931 178.558 176.600 0.045 0.000 0.997 195 E CA 1.332 57.764 56.400 0.054 0.000 0.801 195 E CB -0.286 29.436 29.700 0.037 0.000 0.746 195 E HN 0.280 nan 8.360 nan 0.000 0.450 196 Q N -0.060 119.764 119.800 0.041 0.000 2.079 196 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 196 Q C 2.215 178.239 176.000 0.040 0.000 0.974 196 Q CA 1.303 57.127 55.803 0.035 0.000 0.840 196 Q CB -0.137 28.618 28.738 0.028 0.000 0.898 196 Q HN 0.357 nan 8.270 nan 0.000 0.430 197 A N 1.433 124.283 122.820 0.051 0.000 1.873 197 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 197 A C 1.872 179.492 177.584 0.060 0.000 1.186 197 A CA 1.328 53.398 52.037 0.055 0.000 0.616 197 A CB -0.248 18.791 19.000 0.066 0.000 0.823 197 A HN 0.235 nan 8.150 nan 0.000 0.442 198 E N -0.840 119.402 120.200 0.070 0.000 2.299 198 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 198 E C 0.188 176.815 176.600 0.045 0.000 0.998 198 E CA 0.683 57.121 56.400 0.063 0.000 0.851 198 E CB 0.114 29.855 29.700 0.068 0.000 0.795 198 E HN 0.401 nan 8.360 nan 0.000 0.492 199 S N 0.062 115.786 115.700 0.039 0.000 3.884 199 S HA -0.162 4.308 4.470 -0.000 0.000 0.374 199 S C -0.412 174.204 174.600 0.026 0.000 0.971 199 S CA 0.109 58.328 58.200 0.032 0.000 1.152 199 S CB -1.479 61.740 63.200 0.032 0.000 0.877 199 S HN 0.226 nan 8.310 nan 0.000 0.491 200 L N 1.714 122.948 121.223 0.017 0.000 2.415 200 L HA 0.400 4.740 4.340 -0.000 0.000 0.268 200 L C 1.126 177.985 176.870 -0.018 0.000 0.984 200 L CA -0.515 54.322 54.840 -0.006 0.000 0.853 200 L CB 1.406 43.444 42.059 -0.035 0.000 1.215 200 L HN 0.333 nan 8.230 nan 0.000 0.419 201 E N 1.980 122.173 120.200 -0.011 0.000 2.160 201 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 201 E C 1.657 178.242 176.600 -0.026 0.000 0.991 201 E CA 1.396 57.794 56.400 -0.004 0.000 0.810 201 E CB 0.374 30.072 29.700 -0.004 0.000 0.742 201 E HN 0.720 nan 8.360 nan 0.000 0.466 202 Q N 0.411 120.147 119.800 -0.107 0.000 2.291 202 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 202 Q C 1.990 177.932 176.000 -0.096 0.000 0.976 202 Q CA 0.995 56.697 55.803 -0.167 0.000 0.875 202 Q CB -0.455 28.048 28.738 -0.392 0.000 0.927 202 Q HN 0.412 nan 8.270 nan 0.000 0.450 203 L N 0.458 121.647 121.223 -0.057 0.000 2.376 203 L HA -0.007 4.333 4.340 -0.000 0.000 0.219 203 L C 2.825 179.730 176.870 0.060 0.000 1.133 203 L CA 0.781 55.644 54.840 0.038 0.000 0.816 203 L CB -0.402 41.695 42.059 0.063 0.000 0.933 203 L HN 0.207 nan 8.230 nan 0.000 0.449 204 R N 0.739 121.264 120.500 0.041 0.000 2.096 204 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 204 R C 2.242 178.566 176.300 0.041 0.000 1.127 204 R CA 1.226 57.342 56.100 0.026 0.000 0.968 204 R CB -0.085 30.216 30.300 0.002 0.000 0.861 204 R HN 0.324 nan 8.270 nan 0.000 0.440 205 L N -0.017 121.259 121.223 0.088 0.000 2.056 205 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 205 L C 2.587 179.515 176.870 0.097 0.000 1.078 205 L CA 1.322 56.228 54.840 0.111 0.000 0.749 205 L CB -0.306 41.842 42.059 0.148 0.000 0.901 205 L HN 0.272 nan 8.230 nan 0.000 0.433 206 M N -0.520 119.147 119.600 0.111 0.000 2.213 206 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 206 M C 1.965 178.324 176.300 0.099 0.000 1.062 206 M CA 1.534 56.911 55.300 0.128 0.000 1.105 206 M CB -0.658 32.055 32.600 0.188 0.000 1.385 206 M HN 0.266 nan 8.290 nan 0.000 0.417 207 N N 1.071 119.821 118.700 0.082 0.000 2.149 207 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 207 N C 1.330 176.862 175.510 0.037 0.000 1.019 207 N CA 1.723 54.807 53.050 0.057 0.000 0.857 207 N CB -0.021 38.489 38.487 0.039 0.000 0.997 207 N HN 0.305 nan 8.380 nan 0.000 0.426 208 A N -1.142 121.697 122.820 0.033 0.000 2.251 208 A HA 0.422 4.742 4.320 -0.000 0.000 0.209 208 A C 1.367 178.971 177.584 0.034 0.000 1.187 208 A CA 0.563 52.614 52.037 0.022 0.000 0.823 208 A CB -0.740 18.265 19.000 0.008 0.000 0.846 208 A HN 0.488 nan 8.150 nan 0.000 0.486 209 G N -0.682 108.146 108.800 0.047 0.000 2.143 209 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 209 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 209 G C 0.034 174.968 174.900 0.056 0.000 0.991 209 G CA 0.276 45.405 45.100 0.048 0.000 0.689 209 G HN 0.476 nan 8.290 nan 0.000 0.522 210 I N 1.005 121.617 120.570 0.071 0.000 2.352 210 I HA 0.180 4.350 4.170 -0.000 0.000 0.290 210 I C 0.662 176.834 176.117 0.091 0.000 1.036 210 I CA -0.798 60.552 61.300 0.083 0.000 1.336 210 I CB 0.909 38.971 38.000 0.103 0.000 1.407 210 I HN 0.186 nan 8.210 nan 0.000 0.497 211 N N 7.416 126.163 118.700 0.078 0.000 2.513 211 N HA 0.296 5.036 4.740 -0.000 0.000 0.268 211 N C -0.954 174.608 175.510 0.085 0.000 1.180 211 N CA 0.226 53.318 53.050 0.071 0.000 0.948 211 N CB 0.591 39.106 38.487 0.047 0.000 1.083 211 N HN 0.411 nan 8.380 nan 0.000 0.455 212 I N 2.623 123.249 120.570 0.093 0.000 2.411 212 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 212 I C 0.209 176.350 176.117 0.041 0.000 1.012 212 I CA -0.810 60.557 61.300 0.112 0.000 1.119 212 I CB 1.437 39.567 38.000 0.218 0.000 1.261 212 I HN 0.432 nan 8.210 nan 0.000 0.448 213 R N 4.128 124.619 120.500 -0.017 0.000 2.308 213 R HA 0.479 4.819 4.340 -0.000 0.000 0.305 213 R C -0.842 175.309 176.300 -0.249 0.000 1.053 213 R CA -0.048 55.939 56.100 -0.189 0.000 0.957 213 R CB 1.000 31.137 30.300 -0.271 0.000 1.022 213 R HN 0.523 nan 8.270 nan 0.000 0.461 214 T N 5.751 120.108 114.554 -0.329 0.000 2.842 214 T HA 0.322 4.672 4.350 -0.000 0.000 0.308 214 T C -0.813 173.713 174.700 -0.289 0.000 1.041 214 T CA -0.381 61.603 62.100 -0.194 0.000 0.964 214 T CB 0.059 68.870 68.868 -0.095 0.000 0.972 214 T HN 0.309 nan 8.240 nan 0.000 0.460 215 F N 2.047 122.007 119.950 0.016 0.000 2.427 215 F HA 0.304 4.831 4.527 0.000 0.000 0.352 215 F C 1.130 176.940 175.800 0.017 0.000 1.100 215 F CA -0.916 57.090 58.000 0.011 0.000 1.191 215 F CB 0.671 39.675 39.000 0.006 0.000 1.128 215 F HN 0.460 nan 8.300 nan 0.000 0.533 216 E N 3.378 123.683 120.200 0.175 0.000 2.259 216 E HA 0.488 4.838 4.350 -0.000 0.000 0.281 216 E C -0.884 175.790 176.600 0.123 0.000 1.027 216 E CA -0.555 55.918 56.400 0.122 0.000 0.838 216 E CB 1.025 30.769 29.700 0.074 0.000 1.066 216 E HN 0.547 nan 8.360 nan 0.000 0.401 217 V N 0.609 120.593 119.914 0.117 0.000 3.164 217 V HA 0.868 4.988 4.120 -0.000 0.000 0.313 217 V C -0.105 176.032 176.094 0.072 0.000 1.188 217 V CA -0.766 61.582 62.300 0.080 0.000 1.058 217 V CB 1.022 32.882 31.823 0.061 0.000 1.110 217 V HN 0.780 nan 8.190 nan 0.000 0.453 218 A N 0.466 123.294 122.820 0.014 0.000 2.346 218 A HA 0.772 5.092 4.320 -0.000 0.000 0.252 218 A C 0.829 178.321 177.584 -0.153 0.000 1.089 218 A CA 0.062 52.079 52.037 -0.034 0.000 0.797 218 A CB -0.132 18.841 19.000 -0.044 0.000 1.047 218 A HN 2.406 nan 8.150 nan 0.000 0.494 219 A N 1.380 124.032 122.820 -0.281 0.000 2.566 219 A HA 0.448 4.768 4.320 -0.000 0.000 0.245 219 A C 1.074 178.374 177.584 -0.473 0.000 1.056 219 A CA 0.639 52.246 52.037 -0.716 0.000 0.757 219 A CB -0.907 17.846 19.000 -0.413 0.000 0.979 219 A HN 1.541 nan 8.150 nan 0.000 0.508 220 T N 1.235 115.476 114.554 -0.521 0.000 2.770 220 T HA 0.572 4.922 4.350 -0.000 0.000 0.281 220 T C 0.760 175.380 174.700 -0.134 0.000 0.981 220 T CA -0.132 61.852 62.100 -0.194 0.000 0.955 220 T CB 0.868 69.697 68.868 -0.065 0.000 1.060 220 T HN 1.168 nan 8.240 nan 0.000 0.531 221 G N 0.757 109.512 108.800 -0.076 0.000 2.507 221 G HA2 0.534 4.494 3.960 -0.000 0.000 0.271 221 G HA3 0.534 4.494 3.960 -0.000 0.000 0.271 221 G C -2.285 172.593 174.900 -0.037 0.000 1.189 221 G CA -1.468 43.598 45.100 -0.057 0.000 0.859 221 G HN 0.779 nan 8.290 nan 0.000 0.542 222 P HA 0.168 nan 4.420 nan 0.000 0.271 222 P C 0.490 177.779 177.300 -0.020 0.000 1.233 222 P CA 0.047 63.136 63.100 -0.019 0.000 0.764 222 P CB 0.879 32.566 31.700 -0.020 0.000 0.825 223 G N 2.630 111.424 108.800 -0.009 0.000 2.503 223 G HA2 0.321 4.281 3.960 -0.000 0.000 0.257 223 G HA3 0.321 4.281 3.960 -0.000 0.000 0.257 223 G C -0.275 174.619 174.900 -0.011 0.000 1.214 223 G CA -0.522 44.572 45.100 -0.010 0.000 0.839 223 G HN 0.379 nan 8.290 nan 0.000 0.559 224 V N 2.227 122.133 119.914 -0.013 0.000 2.408 224 V HA 0.199 4.319 4.120 -0.000 0.000 0.267 224 V C 0.253 176.342 176.094 -0.008 0.000 1.047 224 V CA 0.185 62.476 62.300 -0.014 0.000 0.937 224 V CB 1.133 32.945 31.823 -0.019 0.000 0.999 224 V HN 0.863 nan 8.190 nan 0.000 0.472 225 D N 1.736 122.132 120.400 -0.007 0.000 2.412 225 D HA 0.121 4.761 4.640 -0.000 0.000 0.298 225 D C 0.763 177.060 176.300 -0.005 0.000 1.136 225 D CA 0.557 54.555 54.000 -0.003 0.000 0.988 225 D CB 0.970 41.770 40.800 0.001 0.000 1.712 225 D HN 0.560 nan 8.370 nan 0.000 0.503 226 T N 0.664 115.214 114.554 -0.006 0.000 2.885 226 T HA 0.385 4.735 4.350 -0.000 0.000 0.285 226 T C -2.145 172.550 174.700 -0.009 0.000 1.019 226 T CA -2.155 59.941 62.100 -0.006 0.000 1.010 226 T CB 1.912 70.778 68.868 -0.004 0.000 1.022 226 T HN -0.216 nan 8.240 nan 0.000 0.466 227 P HA 0.073 nan 4.420 nan 0.000 0.230 227 P C 0.955 178.249 177.300 -0.010 0.000 1.158 227 P CA 0.420 63.514 63.100 -0.010 0.000 0.769 227 P CB 0.064 31.759 31.700 -0.008 0.000 0.807 228 A N -0.660 122.155 122.820 -0.008 0.000 1.975 228 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 228 A C 2.232 179.810 177.584 -0.011 0.000 1.170 228 A CA 1.008 53.040 52.037 -0.008 0.000 0.656 228 A CB -1.235 17.761 19.000 -0.006 0.000 0.821 228 A HN 0.250 nan 8.150 nan 0.000 0.449 229 C N -1.182 118.111 119.300 -0.012 0.000 2.634 229 C HA 0.190 4.650 4.460 -0.000 0.000 0.268 229 C C 2.315 177.293 174.990 -0.021 0.000 1.322 229 C CA 0.470 59.479 59.018 -0.015 0.000 1.737 229 C CB -0.910 26.822 27.740 -0.012 0.000 1.976 229 C HN 0.653 nan 8.230 nan 0.000 0.547 230 L N 1.693 122.904 121.223 -0.020 0.000 2.093 230 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 230 L C 2.352 179.205 176.870 -0.028 0.000 1.085 230 L CA 2.124 56.949 54.840 -0.025 0.000 0.755 230 L CB -0.666 41.381 42.059 -0.021 0.000 0.904 230 L HN 0.193 nan 8.230 nan 0.000 0.435 231 E N -0.021 120.165 120.200 -0.022 0.000 2.152 231 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 231 E C 2.092 178.677 176.600 -0.025 0.000 0.983 231 E CA 1.001 57.388 56.400 -0.021 0.000 0.818 231 E CB -0.215 29.476 29.700 -0.016 0.000 0.758 231 E HN 0.568 nan 8.360 nan 0.000 0.467 232 K N 0.947 121.332 120.400 -0.025 0.000 2.097 232 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 232 K C 2.032 178.610 176.600 -0.037 0.000 1.050 232 K CA 0.787 57.057 56.287 -0.027 0.000 0.938 232 K CB 0.159 32.645 32.500 -0.023 0.000 0.718 232 K HN -0.096 nan 8.250 nan 0.000 0.442 233 V N 1.200 121.088 119.914 -0.044 0.000 2.379 233 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 233 V C 2.334 178.384 176.094 -0.075 0.000 1.044 233 V CA 1.577 63.839 62.300 -0.062 0.000 1.036 233 V CB -0.444 31.337 31.823 -0.069 0.000 0.664 233 V HN 0.319 nan 8.190 nan 0.000 0.453 234 R N 0.080 120.543 120.500 -0.061 0.000 2.073 234 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 234 R C 2.428 178.700 176.300 -0.047 0.000 1.134 234 R CA 1.596 57.661 56.100 -0.058 0.000 0.952 234 R CB -0.562 29.716 30.300 -0.037 0.000 0.850 234 R HN 0.536 nan 8.270 nan 0.000 0.433 235 A N 0.812 123.610 122.820 -0.037 0.000 1.898 235 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 235 A C 2.001 179.564 177.584 -0.034 0.000 1.181 235 A CA 0.991 53.010 52.037 -0.030 0.000 0.620 235 A CB -0.344 18.641 19.000 -0.024 0.000 0.819 235 A HN 0.115 nan 8.150 nan 0.000 0.442 236 L N -1.544 119.654 121.223 -0.041 0.000 2.093 236 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 236 L C 2.510 179.350 176.870 -0.051 0.000 1.085 236 L CA 2.149 56.963 54.840 -0.043 0.000 0.755 236 L CB -0.721 41.310 42.059 -0.046 0.000 0.904 236 L HN 0.476 nan 8.230 nan 0.000 0.435 237 M N -1.515 118.043 119.600 -0.069 0.000 2.254 237 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 237 M C 2.088 178.358 176.300 -0.051 0.000 1.066 237 M CA 1.544 56.794 55.300 -0.083 0.000 1.123 237 M CB -0.167 32.339 32.600 -0.156 0.000 1.388 237 M HN 0.187 nan 8.290 nan 0.000 0.425 238 A N -0.811 121.985 122.820 -0.040 0.000 1.929 238 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 238 A C 2.109 179.682 177.584 -0.018 0.000 1.176 238 A CA 1.380 53.404 52.037 -0.022 0.000 0.628 238 A CB -0.763 18.226 19.000 -0.019 0.000 0.816 238 A HN 0.579 nan 8.150 nan 0.000 0.444 239 Q N -0.021 119.766 119.800 -0.022 0.000 2.224 239 Q HA -0.178 4.162 4.340 -0.000 0.000 0.203 239 Q C 1.787 177.777 176.000 -0.018 0.000 0.970 239 Q CA 1.795 57.587 55.803 -0.019 0.000 0.865 239 Q CB -0.104 28.621 28.738 -0.021 0.000 0.922 239 Q HN 0.826 nan 8.270 nan 0.000 0.445 240 E N -0.222 119.965 120.200 -0.021 0.000 2.158 240 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 240 E C 2.156 178.749 176.600 -0.012 0.000 0.982 240 E CA 0.281 56.670 56.400 -0.019 0.000 0.823 240 E CB 0.088 29.773 29.700 -0.025 0.000 0.766 240 E HN 0.352 nan 8.360 nan 0.000 0.468 241 L N 0.162 121.380 121.223 -0.008 0.000 2.141 241 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 241 L C 2.461 179.329 176.870 -0.003 0.000 1.094 241 L CA 0.951 55.791 54.840 -0.001 0.000 0.763 241 L CB -0.249 41.813 42.059 0.005 0.000 0.908 241 L HN 0.195 nan 8.230 nan 0.000 0.437 242 A N -0.771 122.045 122.820 -0.006 0.000 2.067 242 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 242 A C 2.213 179.793 177.584 -0.007 0.000 1.156 242 A CA 1.029 53.062 52.037 -0.006 0.000 0.683 242 A CB -0.244 18.752 19.000 -0.007 0.000 0.808 242 A HN 0.425 nan 8.150 nan 0.000 0.455 243 E N 0.262 120.457 120.200 -0.009 0.000 2.216 243 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 243 E C -0.015 176.580 176.600 -0.008 0.000 0.988 243 E CA 0.488 56.882 56.400 -0.009 0.000 0.834 243 E CB 0.002 29.695 29.700 -0.012 0.000 0.772 243 E HN 0.492 nan 8.360 nan 0.000 0.479 244 N N 0.964 119.659 118.700 -0.007 0.000 2.714 244 N HA 0.191 4.931 4.740 -0.000 0.000 0.298 244 N C -0.731 174.776 175.510 -0.005 0.000 1.298 244 N CA 0.056 53.102 53.050 -0.007 0.000 1.007 244 N CB 1.191 39.674 38.487 -0.006 0.000 1.318 244 N HN 0.087 nan 8.380 nan 0.000 0.516 245 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 -0.004 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