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 1ex5_1_C DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AADESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVAPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTPSGQAGA DATA SEQUENCE AASESLFISN HAY 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.367 177.300 0.111 0.000 1.155 1 P CA 0.000 63.148 63.100 0.080 0.000 0.800 1 P CB 0.000 31.746 31.700 0.077 0.000 0.726 2 H N 0.392 119.479 119.070 0.028 0.000 2.472 2 H HA 0.298 nan 4.556 nan 0.000 0.338 2 H C 0.225 175.596 175.328 0.072 0.000 1.133 2 H CA -0.337 55.732 56.048 0.035 0.000 1.216 2 H CB 1.779 31.543 29.762 0.004 0.000 1.497 2 H HN 0.115 8.501 8.280 0.178 0.000 0.500 3 S N 3.346 118.921 115.700 -0.209 0.000 2.516 3 S HA -0.043 nan 4.470 nan 0.000 0.282 3 S C -0.091 174.613 174.600 0.175 0.000 1.286 3 S CA 0.790 58.968 58.200 -0.036 0.000 1.066 3 S CB 0.363 63.486 63.200 -0.127 0.000 0.884 3 S HN 0.345 8.262 8.310 -0.656 0.000 0.491 4 H N 3.075 122.128 119.070 -0.029 0.000 3.275 4 H HA 0.293 nan 4.556 nan 0.000 0.326 4 H C -2.328 172.942 175.328 -0.097 0.000 1.096 4 H CA -1.503 54.511 56.048 -0.057 0.000 1.579 4 H CB 0.528 30.235 29.762 -0.092 0.000 1.834 4 H HN 0.074 8.427 8.280 0.121 0.000 0.510 5 P HA 0.206 nan 4.420 nan 0.000 0.269 5 P C -1.364 175.873 177.300 -0.105 0.000 1.209 5 P CA -0.088 62.949 63.100 -0.105 0.000 0.776 5 P CB 1.786 33.415 31.700 -0.119 0.000 0.876 6 A N 0.759 123.544 122.820 -0.058 0.000 2.066 6 A HA 0.111 nan 4.320 nan 0.000 0.198 6 A C -0.993 176.562 177.584 -0.047 0.000 1.405 6 A CA 0.925 52.937 52.037 -0.042 0.000 0.973 6 A CB 1.233 20.237 19.000 0.008 0.000 1.026 6 A HN 0.204 8.332 8.150 -0.037 0.000 0.474 7 L N -1.566 119.618 121.223 -0.064 0.000 2.371 7 L HA 0.223 nan 4.340 nan 0.000 0.262 7 L C -1.066 175.737 176.870 -0.112 0.000 1.006 7 L CA -1.429 53.349 54.840 -0.102 0.000 0.818 7 L CB 3.538 45.496 42.059 -0.168 0.000 1.354 7 L HN -0.747 7.449 8.230 -0.056 0.000 0.415 8 T N -2.568 111.920 114.554 -0.109 0.000 2.902 8 T HA 0.475 nan 4.350 nan 0.000 0.280 8 T C -0.246 174.384 174.700 -0.116 0.000 0.992 8 T CA -3.108 58.936 62.100 -0.094 0.000 1.015 8 T CB -0.057 68.768 68.868 -0.071 0.000 1.044 8 T HN -0.080 8.335 8.240 -0.104 -0.237 0.520 9 P HA -0.135 nan 4.420 nan 0.000 0.218 9 P C 1.701 178.950 177.300 -0.085 0.000 1.148 9 P CA 2.805 65.854 63.100 -0.085 0.000 0.822 9 P CB 0.099 31.769 31.700 -0.050 0.000 0.784 10 E N -1.722 118.436 120.200 -0.070 0.000 2.051 10 E HA -0.281 nan 4.350 nan 0.000 0.192 10 E C 2.633 179.191 176.600 -0.069 0.000 0.991 10 E CA 3.861 60.227 56.400 -0.055 0.000 0.799 10 E CB -0.835 28.839 29.700 -0.044 0.000 0.748 10 E HN 0.606 8.902 8.360 -0.066 0.025 0.449 11 Q N -1.071 118.670 119.800 -0.098 0.000 2.049 11 Q HA -0.284 nan 4.340 nan 0.000 0.198 11 Q C 2.469 178.355 176.000 -0.190 0.000 0.971 11 Q CA 2.937 58.670 55.803 -0.115 0.000 0.833 11 Q CB 0.029 28.694 28.738 -0.121 0.000 0.896 11 Q HN -0.626 7.499 8.270 -0.101 0.085 0.434 12 K N -0.223 119.976 120.400 -0.334 0.000 2.001 12 K HA -0.440 nan 4.320 nan 0.000 0.214 12 K C 1.974 178.474 176.600 -0.166 0.000 1.050 12 K CA 3.614 59.517 56.287 -0.639 0.000 0.934 12 K CB -0.291 31.837 32.500 -0.619 0.000 0.718 12 K HN 0.040 8.118 8.250 -0.285 0.000 0.443 13 K N -1.036 119.326 120.400 -0.064 0.000 2.001 13 K HA -0.414 nan 4.320 nan 0.000 0.214 13 K C 1.768 178.392 176.600 0.041 0.000 1.050 13 K CA 3.470 59.767 56.287 0.017 0.000 0.934 13 K CB -0.172 32.324 32.500 -0.007 0.000 0.718 13 K HN -0.203 7.987 8.250 -0.100 0.000 0.443 14 E N -0.764 119.445 120.200 0.015 0.000 2.130 14 E HA -0.325 nan 4.350 nan 0.000 0.196 14 E C 2.461 179.107 176.600 0.078 0.000 0.998 14 E CA 2.967 59.388 56.400 0.036 0.000 0.806 14 E CB -0.151 29.560 29.700 0.018 0.000 0.738 14 E HN -0.746 7.606 8.360 -0.014 0.000 0.459 15 L N -1.617 119.666 121.223 0.100 0.000 2.017 15 L HA -0.390 nan 4.340 nan 0.000 0.208 15 L C 2.304 179.322 176.870 0.246 0.000 1.073 15 L CA 3.058 58.008 54.840 0.184 0.000 0.745 15 L CB -0.138 42.074 42.059 0.255 0.000 0.894 15 L HN -0.027 8.143 8.230 0.046 0.088 0.432 16 S N -0.647 115.245 115.700 0.319 0.000 2.382 16 S HA -0.360 nan 4.470 nan 0.000 0.228 16 S C 2.314 177.079 174.600 0.274 0.000 1.027 16 S CA 4.251 62.646 58.200 0.325 0.000 0.991 16 S CB -0.362 62.987 63.200 0.249 0.000 0.823 16 S HN 0.051 8.569 8.310 0.347 0.000 0.469 17 D N 2.569 123.046 120.400 0.129 0.000 2.103 17 D HA -0.333 nan 4.640 nan 0.000 0.190 17 D C 2.262 178.629 176.300 0.112 0.000 0.997 17 D CA 3.795 57.842 54.000 0.079 0.000 0.833 17 D CB -0.139 40.689 40.800 0.047 0.000 0.961 17 D HN -0.043 8.396 8.370 0.114 0.000 0.447 18 I N -0.794 119.840 120.570 0.107 0.000 2.226 18 I HA -0.491 nan 4.170 nan 0.000 0.245 18 I C 1.790 177.940 176.117 0.055 0.000 1.100 18 I CA 3.579 64.932 61.300 0.088 0.000 1.374 18 I CB -0.293 37.771 38.000 0.106 0.000 1.057 18 I HN -0.708 7.568 8.210 0.108 0.000 0.413 19 A N -0.573 122.292 122.820 0.074 0.000 1.902 19 A HA -0.368 nan 4.320 nan 0.000 0.217 19 A C 1.997 179.541 177.584 -0.068 0.000 1.181 19 A CA 3.322 55.345 52.037 -0.023 0.000 0.623 19 A CB -0.877 18.112 19.000 -0.018 0.000 0.818 19 A HN -0.335 7.891 8.150 0.127 0.000 0.443 20 H N -1.703 117.347 119.070 -0.034 0.000 2.462 20 H HA -0.105 nan 4.556 nan 0.000 0.292 20 H C 2.232 177.536 175.328 -0.041 0.000 1.049 20 H CA 3.025 59.053 56.048 -0.034 0.000 1.334 20 H CB -0.023 29.731 29.762 -0.014 0.000 1.404 20 H HN -0.209 8.280 8.280 0.349 0.000 0.544 21 R N -0.321 120.228 120.500 0.083 0.000 2.081 21 R HA -0.233 nan 4.340 nan 0.000 0.235 21 R C 2.030 178.315 176.300 -0.026 0.000 1.131 21 R CA 2.668 58.786 56.100 0.030 0.000 0.960 21 R CB -0.204 30.116 30.300 0.034 0.000 0.856 21 R HN -0.461 7.853 8.270 0.108 0.020 0.436 22 I N -1.824 118.698 120.570 -0.080 0.000 2.133 22 I HA -0.313 nan 4.170 nan 0.000 0.238 22 I C 1.965 177.977 176.117 -0.174 0.000 1.074 22 I CA 3.637 64.839 61.300 -0.164 0.000 1.342 22 I CB 0.618 38.436 38.000 -0.304 0.000 1.053 22 I HN -0.567 7.601 8.210 -0.069 0.000 0.404 23 V N -5.311 114.499 119.914 -0.173 0.000 2.743 23 V HA 0.072 nan 4.120 nan 0.000 0.356 23 V C -0.914 175.125 176.094 -0.092 0.000 1.594 23 V CA -2.030 60.174 62.300 -0.159 0.000 1.652 23 V CB -3.001 28.716 31.823 -0.176 0.000 1.389 23 V HN -0.663 7.422 8.190 -0.175 0.000 0.514 24 A N 2.923 125.701 122.820 -0.071 0.000 2.295 24 A HA 0.608 nan 4.320 nan 0.000 0.318 24 A C -2.278 175.290 177.584 -0.028 0.000 1.134 24 A CA -3.308 48.712 52.037 -0.027 0.000 0.827 24 A CB 0.242 19.235 19.000 -0.013 0.000 1.136 24 A HN -0.135 7.869 8.150 -0.094 0.090 0.493 25 P HA -0.201 nan 4.420 nan 0.000 0.260 25 P C -0.064 177.238 177.300 0.003 0.000 1.185 25 P CA 1.422 64.524 63.100 0.003 0.000 0.763 25 P CB -0.674 31.033 31.700 0.012 0.000 0.776 26 G N 4.015 112.822 108.800 0.012 0.000 2.195 26 G HA2 -0.500 nan 3.960 nan 0.000 0.246 26 G HA3 -0.500 nan 3.960 nan 0.000 0.246 26 G C -1.207 173.703 174.900 0.018 0.000 0.984 26 G CA 0.072 45.187 45.100 0.025 0.000 0.633 26 G HN 0.359 8.659 8.290 0.016 0.000 0.525 27 K N 1.178 121.557 120.400 -0.035 0.000 2.156 27 K HA 0.933 nan 4.320 nan 0.000 0.250 27 K C -1.217 175.211 176.600 -0.287 0.000 0.955 27 K CA -1.548 54.679 56.287 -0.100 0.000 0.855 27 K CB 2.038 34.481 32.500 -0.095 0.000 1.101 27 K HN -0.095 8.055 8.250 -0.042 0.075 0.434 28 G N -0.667 107.816 108.800 -0.529 0.000 2.788 28 G HA2 0.771 nan 3.960 nan 0.000 0.293 28 G HA3 0.771 nan 3.960 nan 0.000 0.293 28 G C -2.902 171.463 174.900 -0.892 0.000 1.392 28 G CA -0.887 43.453 45.100 -1.266 0.000 0.810 28 G HN 0.652 8.745 8.290 -0.328 0.000 0.508 29 I N -0.536 119.502 120.570 -0.887 0.000 2.354 29 I HA 0.516 nan 4.170 nan 0.000 0.292 29 I C -1.855 174.267 176.117 0.009 0.000 0.989 29 I CA -0.922 60.203 61.300 -0.291 0.000 1.188 29 I CB 2.795 40.679 38.000 -0.193 0.000 1.342 29 I HN 0.497 7.870 8.210 -1.219 0.106 0.457 30 L N 8.493 129.791 121.223 0.124 0.000 2.260 30 L HA 0.419 nan 4.340 nan 0.000 0.289 30 L C -2.458 174.496 176.870 0.139 0.000 1.057 30 L CA -1.585 53.375 54.840 0.200 0.000 0.811 30 L CB 1.637 43.808 42.059 0.187 0.000 1.184 30 L HN 0.407 8.692 8.230 0.090 0.000 0.429 31 A N 7.897 130.806 122.820 0.149 0.000 2.582 31 A HA 0.400 nan 4.320 nan 0.000 0.336 31 A C -1.058 176.558 177.584 0.054 0.000 1.445 31 A CA -1.005 51.096 52.037 0.108 0.000 0.997 31 A CB -0.404 18.675 19.000 0.132 0.000 1.148 31 A HN 0.170 8.337 8.150 0.197 0.101 0.514 32 A N 2.587 125.411 122.820 0.006 0.000 2.708 32 A HA 0.261 nan 4.320 nan 0.000 0.293 32 A C -1.049 176.522 177.584 -0.021 0.000 1.303 32 A CA -0.811 51.200 52.037 -0.044 0.000 0.949 32 A CB 0.611 19.529 19.000 -0.137 0.000 1.121 32 A HN -0.025 8.131 8.150 0.010 0.000 0.542 33 D N -1.526 118.876 120.400 0.004 0.000 2.767 33 D HA -0.038 nan 4.640 nan 0.000 0.241 33 D C -1.179 175.087 176.300 -0.057 0.000 1.187 33 D CA -0.582 53.427 54.000 0.014 0.000 0.999 33 D CB -1.769 39.053 40.800 0.036 0.000 1.042 33 D HN 0.095 8.386 8.370 0.015 0.088 0.510 34 E N 0.649 120.800 120.200 -0.081 0.000 2.081 34 E HA 0.231 nan 4.350 nan 0.000 0.276 34 E C -0.104 176.299 176.600 -0.328 0.000 0.950 34 E CA -1.466 54.847 56.400 -0.145 0.000 0.776 34 E CB 1.112 30.785 29.700 -0.045 0.000 1.094 34 E HN -0.620 7.671 8.360 -0.034 0.049 0.402 35 S N 4.302 119.668 115.700 -0.557 0.000 2.572 35 S HA -0.037 nan 4.470 nan 0.000 0.267 35 S C 1.209 175.554 174.600 -0.424 0.000 1.361 35 S CA 0.334 57.974 58.200 -0.933 0.000 1.009 35 S CB 1.099 63.865 63.200 -0.723 0.000 0.888 35 S HN 0.471 8.525 8.310 -0.426 0.000 0.553 36 T N 0.421 114.797 114.554 -0.296 0.000 2.653 36 T HA -0.313 nan 4.350 nan 0.000 0.268 36 T C 2.400 177.067 174.700 -0.055 0.000 1.035 36 T CA 3.326 65.392 62.100 -0.056 0.000 1.154 36 T CB -0.647 68.254 68.868 0.055 0.000 0.862 36 T HN 0.699 8.708 8.240 -0.384 0.000 0.441 37 G N -0.356 108.397 108.800 -0.078 0.000 2.408 37 G HA2 -0.154 nan 3.960 nan 0.000 0.217 37 G HA3 -0.154 nan 3.960 nan 0.000 0.217 37 G C 0.999 175.861 174.900 -0.063 0.000 1.150 37 G CA 1.471 46.537 45.100 -0.056 0.000 0.776 37 G HN 0.135 8.364 8.290 -0.101 0.000 0.542 38 S N 1.014 116.656 115.700 -0.097 0.000 2.387 38 S HA -0.152 nan 4.470 nan 0.000 0.226 38 S C 2.526 177.097 174.600 -0.048 0.000 1.026 38 S CA 2.718 60.872 58.200 -0.078 0.000 0.972 38 S CB 0.021 63.158 63.200 -0.106 0.000 0.814 38 S HN -0.807 7.326 8.310 -0.143 0.091 0.477 39 I N 2.757 123.299 120.570 -0.046 0.000 2.252 39 I HA -0.441 nan 4.170 nan 0.000 0.245 39 I C 0.572 176.683 176.117 -0.010 0.000 1.102 39 I CA 3.667 64.965 61.300 -0.003 0.000 1.385 39 I CB -0.133 37.884 38.000 0.028 0.000 1.064 39 I HN 0.457 8.620 8.210 -0.078 0.000 0.414 40 A N -2.881 119.930 122.820 -0.014 0.000 2.186 40 A HA -0.290 nan 4.320 nan 0.000 0.219 40 A C 1.862 179.431 177.584 -0.024 0.000 1.159 40 A CA 2.817 54.845 52.037 -0.015 0.000 0.680 40 A CB -1.005 17.989 19.000 -0.011 0.000 0.787 40 A HN 0.019 8.157 8.150 -0.020 0.000 0.467 41 K N -2.033 118.352 120.400 -0.026 0.000 1.991 41 K HA -0.235 nan 4.320 nan 0.000 0.207 41 K C 2.249 178.832 176.600 -0.029 0.000 1.045 41 K CA 3.203 59.475 56.287 -0.025 0.000 0.937 41 K CB -0.179 32.307 32.500 -0.023 0.000 0.720 41 K HN -0.495 7.549 8.250 -0.026 0.191 0.438 42 R N -1.284 119.198 120.500 -0.030 0.000 2.223 42 R HA -0.011 nan 4.340 nan 0.000 0.198 42 R C 2.529 178.785 176.300 -0.073 0.000 0.984 42 R CA 1.975 58.051 56.100 -0.041 0.000 1.018 42 R CB 0.073 30.358 30.300 -0.024 0.000 0.945 42 R HN -0.588 7.667 8.270 -0.025 0.000 0.479 43 L N -0.761 120.415 121.223 -0.079 0.000 2.093 43 L HA -0.333 nan 4.340 nan 0.000 0.208 43 L C 1.328 178.132 176.870 -0.108 0.000 1.085 43 L CA 3.284 58.058 54.840 -0.109 0.000 0.755 43 L CB -0.405 41.615 42.059 -0.064 0.000 0.904 43 L HN 0.296 8.492 8.230 -0.057 0.000 0.435 44 Q N -1.083 118.674 119.800 -0.072 0.000 2.119 44 Q HA -0.298 nan 4.340 nan 0.000 0.201 44 Q C 2.555 178.513 176.000 -0.070 0.000 0.972 44 Q CA 2.904 58.668 55.803 -0.065 0.000 0.847 44 Q CB -0.667 28.045 28.738 -0.043 0.000 0.903 44 Q HN -0.340 7.892 8.270 -0.056 0.005 0.433 45 S N 1.335 116.998 115.700 -0.063 0.000 2.370 45 S HA -0.265 nan 4.470 nan 0.000 0.226 45 S C 1.350 175.907 174.600 -0.071 0.000 1.033 45 S CA 3.342 61.510 58.200 -0.055 0.000 1.011 45 S CB -0.008 63.169 63.200 -0.040 0.000 0.852 45 S HN -0.656 7.527 8.310 -0.058 0.092 0.457 46 I N -5.094 115.414 120.570 -0.103 0.000 3.784 46 I HA 0.270 nan 4.170 nan 0.000 0.314 46 I C -0.034 175.972 176.117 -0.185 0.000 1.401 46 I CA -1.073 60.146 61.300 -0.135 0.000 1.254 46 I CB -1.822 36.084 38.000 -0.156 0.000 1.165 46 I HN -0.655 7.489 8.210 -0.110 0.000 0.420 47 G N 0.070 108.787 108.800 -0.138 0.000 2.337 47 G HA2 -0.483 nan 3.960 nan 0.000 0.290 47 G HA3 -0.483 nan 3.960 nan 0.000 0.290 47 G C -0.538 174.257 174.900 -0.176 0.000 1.003 47 G CA 1.027 46.046 45.100 -0.135 0.000 0.825 47 G HN -0.460 7.661 8.290 -0.106 0.105 0.509 48 T N 0.528 114.955 114.554 -0.212 0.000 2.855 48 T HA 0.196 nan 4.350 nan 0.000 0.281 48 T C -0.552 174.069 174.700 -0.131 0.000 1.007 48 T CA -0.802 61.158 62.100 -0.234 0.000 1.009 48 T CB 1.855 70.465 68.868 -0.429 0.000 0.983 48 T HN -0.488 7.606 8.240 -0.198 0.027 0.455 49 E N 3.664 123.811 120.200 -0.088 0.000 2.404 49 E HA -0.080 nan 4.350 nan 0.000 0.261 49 E C -0.706 175.886 176.600 -0.012 0.000 1.074 49 E CA -0.774 55.602 56.400 -0.040 0.000 0.917 49 E CB 0.820 30.506 29.700 -0.023 0.000 0.965 49 E HN 0.166 8.468 8.360 -0.097 0.000 0.433 50 N N 1.139 119.840 118.700 0.003 0.000 2.602 50 N HA 0.007 nan 4.740 nan 0.000 0.238 50 N C -1.253 174.285 175.510 0.047 0.000 1.084 50 N CA -0.142 52.924 53.050 0.027 0.000 0.952 50 N CB -0.126 38.372 38.487 0.018 0.000 1.244 50 N HN 0.081 8.458 8.380 -0.004 0.000 0.512 51 T N 0.858 115.456 114.554 0.074 0.000 2.900 51 T HA 0.370 nan 4.350 nan 0.000 0.303 51 T C -0.561 174.212 174.700 0.121 0.000 1.142 51 T CA -0.939 61.212 62.100 0.084 0.000 1.007 51 T CB 3.303 72.213 68.868 0.070 0.000 1.156 51 T HN -0.375 8.172 8.240 0.089 -0.254 0.490 52 E N 3.055 123.326 120.200 0.118 0.000 2.209 52 E HA -0.482 nan 4.350 nan 0.000 0.196 52 E C 1.284 177.984 176.600 0.167 0.000 0.993 52 E CA 3.607 60.093 56.400 0.144 0.000 0.819 52 E CB -0.128 29.645 29.700 0.122 0.000 0.745 52 E HN 0.354 8.774 8.360 0.099 0.000 0.477 53 E N -1.429 118.860 120.200 0.148 0.000 2.017 53 E HA -0.288 nan 4.350 nan 0.000 0.193 53 E C 2.248 179.002 176.600 0.256 0.000 0.997 53 E CA 3.163 59.661 56.400 0.163 0.000 0.804 53 E CB -0.548 29.218 29.700 0.110 0.000 0.757 53 E HN 0.350 8.746 8.360 0.120 0.036 0.448 54 N N -1.492 117.374 118.700 0.277 0.000 2.331 54 N HA -0.235 nan 4.740 nan 0.000 0.180 54 N C 2.479 178.280 175.510 0.486 0.000 1.019 54 N CA 2.559 55.887 53.050 0.464 0.000 0.881 54 N CB -0.634 38.095 38.487 0.403 0.000 0.972 54 N HN -0.583 7.920 8.380 0.204 0.000 0.435 55 R N 0.738 121.437 120.500 0.332 0.000 2.096 55 R HA -0.397 nan 4.340 nan 0.000 0.235 55 R C 2.123 178.596 176.300 0.289 0.000 1.127 55 R CA 3.754 60.034 56.100 0.300 0.000 0.968 55 R CB -0.244 30.193 30.300 0.227 0.000 0.861 55 R HN 0.182 8.597 8.270 0.266 0.015 0.440 56 R N -0.522 120.159 120.500 0.303 0.000 2.066 56 R HA -0.261 nan 4.340 nan 0.000 0.232 56 R C 2.068 178.570 176.300 0.336 0.000 1.131 56 R CA 3.250 59.556 56.100 0.343 0.000 0.955 56 R CB -0.153 30.339 30.300 0.320 0.000 0.851 56 R HN -0.087 8.251 8.270 0.291 0.106 0.432 57 F N 0.491 120.559 119.950 0.198 0.000 2.216 57 F HA -0.350 nan 4.527 nan 0.000 0.300 57 F C 1.167 176.947 175.800 -0.032 0.000 1.085 57 F CA 2.720 60.798 58.000 0.130 0.000 1.326 57 F CB -0.158 38.966 39.000 0.207 0.000 1.027 57 F HN -0.151 8.385 8.300 0.490 0.058 0.497 58 Y N 0.384 120.487 120.300 -0.327 0.000 2.109 58 Y HA -0.591 nan 4.550 nan 0.000 0.285 58 Y C 1.536 177.092 175.900 -0.572 0.000 1.131 58 Y CA 3.989 61.667 58.100 -0.704 0.000 1.121 58 Y CB 0.278 38.551 38.460 -0.311 0.000 0.987 58 Y HN 0.371 8.603 8.280 0.269 0.210 0.495 59 R N -2.567 117.655 120.500 -0.463 0.000 2.127 59 R HA -0.449 nan 4.340 nan 0.000 0.238 59 R C 2.335 178.189 176.300 -0.743 0.000 1.134 59 R CA 2.626 58.348 56.100 -0.629 0.000 0.975 59 R CB -0.815 29.223 30.300 -0.435 0.000 0.865 59 R HN -0.548 7.638 8.270 -0.140 0.000 0.447 60 Q N 0.058 119.482 119.800 -0.627 0.000 2.050 60 Q HA -0.282 nan 4.340 nan 0.000 0.202 60 Q C 2.079 177.795 176.000 -0.473 0.000 0.980 60 Q CA 3.188 58.681 55.803 -0.516 0.000 0.840 60 Q CB -0.147 28.552 28.738 -0.066 0.000 0.898 60 Q HN -0.358 7.641 8.270 -0.420 0.018 0.424 61 L N -0.046 120.804 121.223 -0.622 0.000 2.081 61 L HA -0.329 nan 4.340 nan 0.000 0.212 61 L C 1.607 178.159 176.870 -0.530 0.000 1.080 61 L CA 3.041 57.506 54.840 -0.624 0.000 0.754 61 L CB -0.204 41.302 42.059 -0.921 0.000 0.893 61 L HN -0.272 7.439 8.230 -0.741 0.074 0.433 62 L N -5.085 115.734 121.223 -0.673 0.000 2.141 62 L HA -0.302 nan 4.340 nan 0.000 0.209 62 L C 1.855 178.422 176.870 -0.504 0.000 1.094 62 L CA 2.411 56.819 54.840 -0.719 0.000 0.763 62 L CB -0.054 41.483 42.059 -0.871 0.000 0.908 62 L HN -0.564 7.092 8.230 -0.778 0.108 0.437 63 L N -3.645 117.329 121.223 -0.415 0.000 2.168 63 L HA -0.068 nan 4.340 nan 0.000 0.203 63 L C 2.297 179.089 176.870 -0.130 0.000 1.078 63 L CA 1.756 56.445 54.840 -0.252 0.000 0.780 63 L CB 0.215 42.100 42.059 -0.291 0.000 0.939 63 L HN -0.576 7.219 8.230 -0.493 0.139 0.451 64 T N -3.556 110.918 114.554 -0.133 0.000 3.584 64 T HA -0.047 nan 4.350 nan 0.000 0.252 64 T C -0.205 174.475 174.700 -0.033 0.000 1.103 64 T CA -0.018 62.049 62.100 -0.055 0.000 0.977 64 T CB -2.145 66.703 68.868 -0.032 0.000 1.044 64 T HN -0.049 8.072 8.240 -0.198 0.000 0.589 65 A N 2.269 125.077 122.820 -0.020 0.000 2.257 65 A HA 0.179 nan 4.320 nan 0.000 0.290 65 A C -1.464 176.136 177.584 0.026 0.000 1.201 65 A CA -1.221 50.827 52.037 0.018 0.000 0.863 65 A CB 1.124 20.172 19.000 0.081 0.000 1.256 65 A HN -0.454 7.570 8.150 -0.027 0.110 0.506 66 D N -4.557 115.859 120.400 0.028 0.000 2.339 66 D HA -0.089 nan 4.640 nan 0.000 0.245 66 D C 0.446 176.757 176.300 0.020 0.000 1.115 66 D CA 0.117 54.129 54.000 0.020 0.000 0.917 66 D CB 0.509 41.318 40.800 0.015 0.000 1.192 66 D HN 0.013 8.401 8.370 0.030 0.000 0.428 67 D N -0.227 120.183 120.400 0.017 0.000 2.358 67 D HA -0.100 nan 4.640 nan 0.000 0.241 67 D C 1.271 177.575 176.300 0.006 0.000 1.094 67 D CA 1.564 55.573 54.000 0.015 0.000 0.907 67 D CB -0.704 40.105 40.800 0.016 0.000 0.893 67 D HN 0.455 8.835 8.370 0.016 0.000 0.528 68 R N -0.722 119.777 120.500 -0.001 0.000 2.193 68 R HA -0.224 nan 4.340 nan 0.000 0.229 68 R C 0.835 177.120 176.300 -0.024 0.000 1.110 68 R CA 2.471 58.564 56.100 -0.011 0.000 0.988 68 R CB -0.122 30.169 30.300 -0.016 0.000 0.871 68 R HN -0.307 7.846 8.270 0.002 0.119 0.458 69 V N -7.869 112.026 119.914 -0.032 0.000 3.578 69 V HA 0.354 nan 4.120 nan 0.000 0.290 69 V C 0.479 176.566 176.094 -0.012 0.000 1.376 69 V CA -1.123 61.145 62.300 -0.052 0.000 1.083 69 V CB -0.865 30.873 31.823 -0.142 0.000 0.911 69 V HN -0.547 7.589 8.190 -0.019 0.044 0.433 70 N N 2.904 121.607 118.700 0.006 0.000 2.061 70 N HA -0.110 nan 4.740 nan 0.000 0.193 70 N C -0.971 174.547 175.510 0.014 0.000 1.030 70 N CA 3.506 56.566 53.050 0.018 0.000 0.856 70 N CB -2.749 35.749 38.487 0.018 0.000 1.023 70 N HN -0.193 8.016 8.380 0.004 0.174 0.424 71 P HA 0.005 nan 4.420 nan 0.000 0.220 71 P C 0.020 177.326 177.300 0.010 0.000 1.148 71 P CA 1.241 64.346 63.100 0.008 0.000 0.803 71 P CB -0.036 31.669 31.700 0.007 0.000 0.782 72 C N -2.930 116.380 119.300 0.016 0.000 2.473 72 C HA -0.180 nan 4.460 nan 0.000 0.279 72 C C 0.257 175.278 174.990 0.050 0.000 1.250 72 C CA 2.348 61.394 59.018 0.047 0.000 1.713 72 C CB -0.457 27.301 27.740 0.029 0.000 2.066 72 C HN -0.468 7.612 8.230 0.006 0.154 0.474 73 I N -0.967 119.630 120.570 0.045 0.000 2.352 73 I HA -0.092 nan 4.170 nan 0.000 0.290 73 I C -0.371 175.743 176.117 -0.005 0.000 1.036 73 I CA -0.039 61.282 61.300 0.034 0.000 1.336 73 I CB -0.311 37.754 38.000 0.107 0.000 1.407 73 I HN -0.639 7.595 8.210 0.040 0.000 0.497 74 G N 5.988 114.748 108.800 -0.067 0.000 2.833 74 G HA2 0.252 nan 3.960 nan 0.000 0.210 74 G HA3 0.252 nan 3.960 nan 0.000 0.210 74 G C -1.373 173.512 174.900 -0.024 0.000 1.139 74 G CA -0.194 44.869 45.100 -0.062 0.000 0.771 74 G HN 0.729 8.937 8.290 -0.136 0.000 0.535 75 G N -1.707 107.090 108.800 -0.006 0.000 2.742 75 G HA2 0.639 nan 3.960 nan 0.000 0.296 75 G HA3 0.639 nan 3.960 nan 0.000 0.296 75 G C -3.065 171.989 174.900 0.258 0.000 1.436 75 G CA 0.240 45.451 45.100 0.184 0.000 0.928 75 G HN -0.799 7.464 8.290 -0.045 0.000 0.520 76 V N 1.472 121.600 119.914 0.357 0.000 2.760 76 V HA 0.813 nan 4.120 nan 0.000 0.309 76 V C -1.585 174.544 176.094 0.058 0.000 1.077 76 V CA -1.349 61.046 62.300 0.158 0.000 0.910 76 V CB 3.094 34.938 31.823 0.035 0.000 1.008 76 V HN 0.304 8.767 8.190 0.456 0.000 0.424 77 I N 4.483 125.082 120.570 0.048 0.000 2.406 77 I HA 0.769 nan 4.170 nan 0.000 0.290 77 I C -1.631 174.456 176.117 -0.049 0.000 0.999 77 I CA -1.015 60.257 61.300 -0.046 0.000 1.124 77 I CB 1.224 39.267 38.000 0.071 0.000 1.289 77 I HN 0.018 8.277 8.210 0.083 0.000 0.441 78 L N 0.839 122.009 121.223 -0.088 0.000 2.235 78 L HA 0.809 nan 4.340 nan 0.000 0.260 78 L C -2.139 174.765 176.870 0.057 0.000 1.025 78 L CA -2.638 52.182 54.840 -0.032 0.000 0.836 78 L CB 2.432 44.447 42.059 -0.074 0.000 1.395 78 L HN -0.026 8.111 8.230 -0.156 0.000 0.443 79 F N -0.931 118.972 119.950 -0.079 0.000 2.378 79 F HA 0.203 nan 4.527 nan 0.000 0.325 79 F C 0.774 176.551 175.800 -0.039 0.000 1.097 79 F CA -1.754 56.224 58.000 -0.037 0.000 1.079 79 F CB 3.182 42.188 39.000 0.010 0.000 1.240 79 F HN -0.331 8.084 8.300 0.192 0.000 0.519 80 H N 4.400 123.044 119.070 -0.710 0.000 2.357 80 H HA -0.430 nan 4.556 nan 0.000 0.296 80 H C 1.789 176.910 175.328 -0.344 0.000 1.108 80 H CA 4.492 60.218 56.048 -0.537 0.000 1.273 80 H CB 0.003 29.433 29.762 -0.553 0.000 1.367 80 H HN 0.459 8.224 8.280 -0.859 0.000 0.498 81 E N -3.803 116.173 120.200 -0.373 0.000 2.038 81 E HA -0.294 nan 4.350 nan 0.000 0.195 81 E C 2.590 179.190 176.600 -0.000 0.000 1.000 81 E CA 3.580 59.941 56.400 -0.065 0.000 0.803 81 E CB -0.321 29.460 29.700 0.135 0.000 0.750 81 E HN 0.437 8.304 8.360 -0.789 0.019 0.448 82 T N 1.833 116.421 114.554 0.056 0.000 2.962 82 T HA -0.171 nan 4.350 nan 0.000 0.270 82 T C 2.384 177.113 174.700 0.049 0.000 1.088 82 T CA 2.802 64.985 62.100 0.139 0.000 1.127 82 T CB -0.757 68.196 68.868 0.141 0.000 0.883 82 T HN -0.521 7.777 8.240 0.096 0.000 0.493 83 L N 2.010 123.100 121.223 -0.222 0.000 2.079 83 L HA -0.319 nan 4.340 nan 0.000 0.210 83 L C -0.358 176.199 176.870 -0.523 0.000 1.081 83 L CA 2.762 57.321 54.840 -0.468 0.000 0.752 83 L CB 0.149 41.694 42.059 -0.856 0.000 0.896 83 L HN -0.600 7.437 8.230 -0.265 0.035 0.433 84 Y N -4.394 115.846 120.300 -0.101 0.000 2.756 84 Y HA 0.130 nan 4.550 nan 0.000 0.300 84 Y C -0.484 175.340 175.900 -0.127 0.000 1.113 84 Y CA -1.679 56.355 58.100 -0.111 0.000 1.291 84 Y CB -0.887 37.497 38.460 -0.127 0.000 1.175 84 Y HN -0.862 7.236 8.280 -0.272 0.019 0.534 85 Q N 0.089 119.835 119.800 -0.090 0.000 2.306 85 Q HA 0.407 nan 4.340 nan 0.000 0.269 85 Q C -1.395 174.111 176.000 -0.823 0.000 1.053 85 Q CA -1.231 54.400 55.803 -0.288 0.000 0.879 85 Q CB 3.872 32.555 28.738 -0.091 0.000 1.344 85 Q HN -0.451 7.704 8.270 -0.075 0.070 0.464 86 K N -2.097 117.770 120.400 -0.889 0.000 2.395 86 K HA 0.848 nan 4.320 nan 0.000 0.245 86 K C -1.918 174.210 176.600 -0.787 0.000 1.017 86 K CA -1.805 53.953 56.287 -0.883 0.000 0.852 86 K CB 3.579 35.875 32.500 -0.341 0.000 1.311 86 K HN 0.200 8.105 8.250 -0.576 0.000 0.452 87 A N -1.196 121.454 122.820 -0.284 0.000 2.256 87 A HA 0.502 nan 4.320 nan 0.000 0.318 87 A C 0.967 178.595 177.584 0.073 0.000 1.103 87 A CA -2.081 50.044 52.037 0.148 0.000 0.860 87 A CB 1.482 20.675 19.000 0.322 0.000 1.182 87 A HN 0.140 8.150 8.150 -0.234 0.000 0.501 88 D N 0.726 121.200 120.400 0.124 0.000 2.315 88 D HA -0.344 nan 4.640 nan 0.000 0.211 88 D C 0.881 177.214 176.300 0.055 0.000 0.977 88 D CA 3.022 57.073 54.000 0.086 0.000 0.894 88 D CB -0.394 40.469 40.800 0.106 0.000 0.910 88 D HN 0.604 9.441 8.370 0.182 -0.358 0.490 89 D N -3.678 116.755 120.400 0.055 0.000 2.234 89 D HA -0.094 nan 4.640 nan 0.000 0.205 89 D C 1.402 177.713 176.300 0.019 0.000 0.962 89 D CA 0.126 54.149 54.000 0.038 0.000 0.855 89 D CB -0.269 40.558 40.800 0.045 0.000 0.951 89 D HN -0.220 8.124 8.370 0.075 0.071 0.500 90 G N -0.314 108.489 108.800 0.004 0.000 2.278 90 G HA2 -0.341 nan 3.960 nan 0.000 0.210 90 G HA3 -0.341 nan 3.960 nan 0.000 0.210 90 G C -1.537 173.345 174.900 -0.031 0.000 1.000 90 G CA -0.249 44.841 45.100 -0.016 0.000 0.635 90 G HN 0.412 8.562 8.290 0.006 0.143 0.495 91 R N 1.569 122.060 120.500 -0.016 0.000 2.459 91 R HA 0.471 nan 4.340 nan 0.000 0.281 91 R C -2.711 173.558 176.300 -0.051 0.000 1.050 91 R CA -2.696 53.394 56.100 -0.017 0.000 1.055 91 R CB -0.409 29.898 30.300 0.012 0.000 1.045 91 R HN -0.640 7.742 8.270 0.003 -0.111 0.495 92 P HA -0.061 nan 4.420 nan 0.000 0.269 92 P C 0.297 177.600 177.300 0.006 0.000 1.209 92 P CA 0.589 63.628 63.100 -0.103 0.000 0.776 92 P CB 0.214 31.893 31.700 -0.036 0.000 0.876 93 F N 1.926 121.860 119.950 -0.026 0.000 2.154 93 F HA -0.277 nan 4.527 nan 0.000 0.301 93 F C -0.178 175.589 175.800 -0.055 0.000 1.087 93 F CA 4.253 62.225 58.000 -0.047 0.000 1.274 93 F CB -3.068 35.891 39.000 -0.067 0.000 1.009 93 F HN 0.326 8.465 8.300 -0.268 0.000 0.485 94 P HA -0.109 nan 4.420 nan 0.000 0.221 94 P C 1.657 178.984 177.300 0.045 0.000 1.150 94 P CA 2.591 65.716 63.100 0.042 0.000 0.800 94 P CB -0.549 31.148 31.700 -0.004 0.000 0.787 95 Q N -1.024 118.810 119.800 0.055 0.000 1.990 95 Q HA -0.236 nan 4.340 nan 0.000 0.200 95 Q C 2.474 178.507 176.000 0.055 0.000 0.980 95 Q CA 3.168 58.999 55.803 0.046 0.000 0.832 95 Q CB -0.399 28.363 28.738 0.040 0.000 0.897 95 Q HN -0.404 7.771 8.270 0.061 0.132 0.427 96 V N 1.128 121.091 119.914 0.082 0.000 2.231 96 V HA -0.469 nan 4.120 nan 0.000 0.250 96 V C 2.136 178.259 176.094 0.048 0.000 1.058 96 V CA 4.586 66.933 62.300 0.079 0.000 1.022 96 V CB -0.807 31.096 31.823 0.132 0.000 0.640 96 V HN -0.279 7.976 8.190 0.107 0.000 0.445 97 I N -2.647 117.947 120.570 0.040 0.000 2.208 97 I HA -0.618 nan 4.170 nan 0.000 0.245 97 I C 1.902 178.037 176.117 0.030 0.000 1.097 97 I CA 3.988 65.300 61.300 0.020 0.000 1.363 97 I CB -0.468 37.534 38.000 0.003 0.000 1.051 97 I HN -0.046 8.199 8.210 0.059 0.000 0.413 98 K N -0.434 119.987 120.400 0.033 0.000 2.001 98 K HA -0.312 nan 4.320 nan 0.000 0.208 98 K C 2.966 179.586 176.600 0.033 0.000 1.048 98 K CA 3.191 59.499 56.287 0.035 0.000 0.932 98 K CB -0.148 32.371 32.500 0.033 0.000 0.715 98 K HN -0.046 8.037 8.250 0.035 0.188 0.437 99 S N 0.595 116.315 115.700 0.032 0.000 2.383 99 S HA -0.214 nan 4.470 nan 0.000 0.229 99 S C 1.776 176.393 174.600 0.028 0.000 1.030 99 S CA 3.086 61.304 58.200 0.029 0.000 1.002 99 S CB -0.508 62.710 63.200 0.030 0.000 0.829 99 S HN 0.051 8.382 8.310 0.034 0.000 0.467 100 K N -0.148 120.270 120.400 0.030 0.000 2.504 100 K HA -0.056 nan 4.320 nan 0.000 0.195 100 K C 0.205 176.822 176.600 0.029 0.000 1.036 100 K CA 0.151 56.455 56.287 0.028 0.000 0.984 100 K CB 0.091 32.608 32.500 0.028 0.000 0.788 100 K HN -0.509 7.746 8.250 0.031 0.013 0.488 101 G N -1.285 107.534 108.800 0.031 0.000 2.325 101 G HA2 -0.280 nan 3.960 nan 0.000 0.248 101 G HA3 -0.280 nan 3.960 nan 0.000 0.248 101 G C -1.027 173.894 174.900 0.036 0.000 1.108 101 G CA -0.071 45.047 45.100 0.031 0.000 0.881 101 G HN -0.092 8.015 8.290 0.031 0.202 0.494 102 G N -2.931 105.896 108.800 0.045 0.000 2.612 102 G HA2 0.599 nan 3.960 nan 0.000 0.298 102 G HA3 0.599 nan 3.960 nan 0.000 0.298 102 G C -1.838 173.114 174.900 0.087 0.000 1.336 102 G CA -0.686 44.450 45.100 0.061 0.000 0.953 102 G HN -0.684 7.632 8.290 0.043 0.000 0.482 103 V N 2.366 122.366 119.914 0.144 0.000 2.498 103 V HA 0.127 nan 4.120 nan 0.000 0.279 103 V C -0.395 175.855 176.094 0.259 0.000 1.048 103 V CA 0.116 62.556 62.300 0.234 0.000 0.967 103 V CB 0.637 32.656 31.823 0.327 0.000 0.988 103 V HN -0.024 8.142 8.190 0.136 0.106 0.473 104 V N 5.893 125.836 119.914 0.049 0.000 2.461 104 V HA 0.492 nan 4.120 nan 0.000 0.275 104 V C -0.362 175.350 176.094 -0.637 0.000 1.047 104 V CA -0.649 61.541 62.300 -0.183 0.000 0.955 104 V CB 0.033 31.780 31.823 -0.127 0.000 0.988 104 V HN 0.642 8.868 8.190 0.059 0.000 0.471 105 G N 5.571 113.738 108.800 -1.055 0.000 2.533 105 G HA2 1.022 nan 3.960 nan 0.000 0.304 105 G HA3 1.022 nan 3.960 nan 0.000 0.304 105 G C -3.269 171.237 174.900 -0.657 0.000 1.263 105 G CA -1.595 42.578 45.100 -1.545 0.000 0.964 105 G HN 0.550 8.436 8.290 -0.673 0.000 0.479 106 I N -1.647 118.654 120.570 -0.448 0.000 2.802 106 I HA 0.609 nan 4.170 nan 0.000 0.298 106 I C -2.777 173.248 176.117 -0.155 0.000 1.176 106 I CA -2.213 58.901 61.300 -0.309 0.000 1.025 106 I CB 4.154 41.858 38.000 -0.494 0.000 1.243 106 I HN 0.780 8.738 8.210 -0.419 0.000 0.424 107 K N 6.196 126.545 120.400 -0.085 0.000 2.258 107 K HA 0.151 nan 4.320 nan 0.000 0.284 107 K C -0.477 176.117 176.600 -0.011 0.000 1.051 107 K CA 0.276 56.561 56.287 -0.004 0.000 0.923 107 K CB 0.768 33.292 32.500 0.040 0.000 1.046 107 K HN -0.207 7.994 8.250 -0.082 0.000 0.474 108 V N -1.529 118.415 119.914 0.050 0.000 3.523 108 V HA 0.364 nan 4.120 nan 0.000 0.255 108 V C -0.453 175.641 176.094 0.000 0.000 1.226 108 V CA -0.677 61.692 62.300 0.115 0.000 1.092 108 V CB 1.282 33.300 31.823 0.324 0.000 0.817 108 V HN 0.293 8.529 8.190 0.076 0.000 0.458 109 D N 0.488 120.704 120.400 -0.306 0.000 2.362 109 D HA -0.060 nan 4.640 nan 0.000 0.238 109 D C 0.255 176.313 176.300 -0.404 0.000 1.212 109 D CA 0.518 54.028 54.000 -0.816 0.000 0.902 109 D CB 0.496 40.357 40.800 -1.565 0.000 1.180 109 D HN -0.719 7.496 8.370 -0.260 0.000 0.445 110 K N 1.438 121.612 120.400 -0.377 0.000 3.135 110 K HA 0.072 nan 4.320 nan 0.000 0.210 110 K C -0.092 176.407 176.600 -0.169 0.000 1.176 110 K CA -0.561 55.619 56.287 -0.177 0.000 1.064 110 K CB -0.180 32.270 32.500 -0.084 0.000 1.009 110 K HN 0.263 8.098 8.250 -0.520 0.104 0.472 111 G N -0.202 108.465 108.800 -0.221 0.000 2.782 111 G HA2 -0.347 nan 3.960 nan 0.000 0.228 111 G HA3 -0.347 nan 3.960 nan 0.000 0.228 111 G C -2.643 172.158 174.900 -0.165 0.000 1.372 111 G CA -0.551 44.448 45.100 -0.168 0.000 0.862 111 G HN -0.544 7.753 8.290 -0.289 -0.181 0.547 112 V N -4.983 114.865 119.914 -0.109 0.000 2.483 112 V HA 0.726 nan 4.120 nan 0.000 0.295 112 V C -0.513 175.556 176.094 -0.042 0.000 1.035 112 V CA -2.441 59.814 62.300 -0.074 0.000 0.896 112 V CB 1.546 33.331 31.823 -0.062 0.000 0.986 112 V HN -0.304 7.830 8.190 -0.093 0.000 0.447 113 V N -0.407 119.494 119.914 -0.021 0.000 2.628 113 V HA 0.710 nan 4.120 nan 0.000 0.306 113 V C -2.446 173.648 176.094 0.000 0.000 1.045 113 V CA -4.338 57.958 62.300 -0.007 0.000 0.905 113 V CB 2.233 34.059 31.823 0.004 0.000 0.997 113 V HN 1.077 9.258 8.190 -0.015 0.000 0.436 114 P HA 0.442 nan 4.420 nan 0.000 0.275 114 P C -1.311 175.995 177.300 0.009 0.000 1.228 114 P CA -0.522 62.581 63.100 0.004 0.000 0.786 114 P CB 0.773 32.474 31.700 0.002 0.000 0.927 115 L N 2.430 123.660 121.223 0.011 0.000 2.307 115 L HA 0.276 nan 4.340 nan 0.000 0.284 115 L C -0.311 176.566 176.870 0.011 0.000 1.023 115 L CA -1.063 53.785 54.840 0.014 0.000 0.810 115 L CB 1.830 43.898 42.059 0.016 0.000 1.231 115 L HN 0.452 8.688 8.230 0.010 0.000 0.423 116 A N 3.672 126.498 122.820 0.011 0.000 2.346 116 A HA -0.051 nan 4.320 nan 0.000 0.252 116 A C 0.702 178.291 177.584 0.008 0.000 1.089 116 A CA 0.371 52.413 52.037 0.008 0.000 0.797 116 A CB 0.072 19.076 19.000 0.008 0.000 1.047 116 A HN 0.364 8.521 8.150 0.012 0.000 0.494 117 G N -2.216 106.587 108.800 0.005 0.000 2.175 117 G HA2 -0.181 nan 3.960 nan 0.000 0.265 117 G HA3 -0.181 nan 3.960 nan 0.000 0.265 117 G C -0.540 174.362 174.900 0.004 0.000 0.979 117 G CA 0.529 45.630 45.100 0.003 0.000 0.663 117 G HN 0.310 8.602 8.290 0.004 0.000 0.533 118 T N -3.293 111.267 114.554 0.009 0.000 2.949 118 T HA 0.146 nan 4.350 nan 0.000 0.287 118 T C -0.584 174.127 174.700 0.018 0.000 1.034 118 T CA -2.318 59.791 62.100 0.015 0.000 1.018 118 T CB 2.323 71.201 68.868 0.017 0.000 1.135 118 T HN -0.521 7.661 8.240 0.009 0.064 0.532 119 N N 3.334 122.052 118.700 0.030 0.000 3.322 119 N HA -0.015 nan 4.740 nan 0.000 0.290 119 N C 0.452 175.980 175.510 0.031 0.000 1.297 119 N CA -1.257 51.817 53.050 0.039 0.000 1.167 119 N CB -0.843 37.689 38.487 0.074 0.000 1.434 119 N HN 0.388 8.789 8.380 0.035 0.000 0.526 120 G N 2.540 111.352 108.800 0.021 0.000 2.314 120 G HA2 -0.403 nan 3.960 nan 0.000 0.292 120 G HA3 -0.403 nan 3.960 nan 0.000 0.292 120 G C -0.843 174.064 174.900 0.012 0.000 1.059 120 G CA 0.571 45.679 45.100 0.014 0.000 0.982 120 G HN -0.385 7.861 8.290 0.018 0.055 0.505 121 E N -1.207 119.001 120.200 0.013 0.000 2.207 121 E HA 0.350 nan 4.350 nan 0.000 0.270 121 E C -0.944 175.662 176.600 0.009 0.000 0.927 121 E CA -1.668 54.739 56.400 0.011 0.000 0.799 121 E CB 2.928 32.637 29.700 0.015 0.000 1.172 121 E HN -0.639 7.730 8.360 0.014 0.000 0.404 122 T N -2.671 111.886 114.554 0.006 0.000 2.819 122 T HA 0.696 nan 4.350 nan 0.000 0.271 122 T C -1.182 173.527 174.700 0.015 0.000 0.986 122 T CA -2.638 59.465 62.100 0.006 0.000 0.989 122 T CB 2.062 70.927 68.868 -0.005 0.000 1.396 122 T HN 0.171 8.414 8.240 0.004 0.000 0.597 123 T N 1.084 115.650 114.554 0.020 0.000 2.893 123 T HA 0.254 nan 4.350 nan 0.000 0.337 123 T C -1.573 173.156 174.700 0.047 0.000 1.587 123 T CA 0.280 62.408 62.100 0.047 0.000 1.066 123 T CB 2.715 71.618 68.868 0.057 0.000 1.414 123 T HN -0.026 8.221 8.240 0.011 0.000 0.488 124 T N 5.499 120.113 114.554 0.099 0.000 2.918 124 T HA 0.699 nan 4.350 nan 0.000 0.283 124 T C -1.075 173.723 174.700 0.163 0.000 1.001 124 T CA -0.832 61.296 62.100 0.046 0.000 1.041 124 T CB 0.852 69.686 68.868 -0.057 0.000 1.028 124 T HN 0.246 8.585 8.240 0.165 0.000 0.511 125 Q N 1.980 121.787 119.800 0.012 0.000 2.552 125 Q HA 0.425 nan 4.340 nan 0.000 0.289 125 Q C -0.610 175.412 176.000 0.037 0.000 1.097 125 Q CA -2.159 53.713 55.803 0.115 0.000 0.812 125 Q CB 3.098 31.864 28.738 0.047 0.000 1.460 125 Q HN 0.024 8.193 8.270 -0.169 0.000 0.452 126 G N -2.364 106.568 108.800 0.220 0.000 2.813 126 G HA2 -0.223 nan 3.960 nan 0.000 0.194 126 G HA3 -0.223 nan 3.960 nan 0.000 0.194 126 G C 0.412 175.536 174.900 0.374 0.000 1.010 126 G CA 0.177 45.415 45.100 0.231 0.000 0.771 126 G HN 0.486 8.913 8.290 0.227 0.000 0.485 127 L N -0.305 121.180 121.223 0.436 0.000 2.089 127 L HA -0.290 nan 4.340 nan 0.000 0.213 127 L C -0.618 176.355 176.870 0.172 0.000 1.079 127 L CA 1.917 56.914 54.840 0.260 0.000 0.758 127 L CB -0.893 41.266 42.059 0.167 0.000 0.891 127 L HN -0.080 8.472 8.230 0.537 0.000 0.433 128 D N -0.673 119.813 120.400 0.143 0.000 2.472 128 D HA -0.092 nan 4.640 nan 0.000 0.248 128 D C 1.084 177.439 176.300 0.091 0.000 1.174 128 D CA 1.529 55.587 54.000 0.097 0.000 0.883 128 D CB -0.944 39.902 40.800 0.076 0.000 1.149 128 D HN -0.234 8.201 8.370 0.156 0.029 0.488 129 G N 3.464 112.307 108.800 0.072 0.000 2.184 129 G HA2 -0.465 nan 3.960 nan 0.000 0.264 129 G HA3 -0.465 nan 3.960 nan 0.000 0.264 129 G C 1.232 176.180 174.900 0.079 0.000 0.975 129 G CA 1.108 46.243 45.100 0.059 0.000 0.642 129 G HN 0.289 8.618 8.290 0.065 0.000 0.536 130 L N 1.149 122.444 121.223 0.120 0.000 1.991 130 L HA -0.476 nan 4.340 nan 0.000 0.221 130 L C 0.947 177.893 176.870 0.127 0.000 1.079 130 L CA 3.664 58.602 54.840 0.164 0.000 0.778 130 L CB -0.465 41.710 42.059 0.193 0.000 0.893 130 L HN -0.304 7.798 8.230 0.127 0.204 0.437 131 S N -2.456 113.296 115.700 0.088 0.000 2.359 131 S HA -0.477 nan 4.470 nan 0.000 0.223 131 S C 2.310 176.936 174.600 0.043 0.000 1.039 131 S CA 3.875 62.112 58.200 0.062 0.000 1.042 131 S CB -0.844 62.382 63.200 0.042 0.000 0.915 131 S HN 0.255 8.615 8.310 0.083 0.000 0.439 132 E N 0.813 121.029 120.200 0.027 0.000 2.118 132 E HA -0.329 nan 4.350 nan 0.000 0.195 132 E C 2.858 179.433 176.600 -0.040 0.000 0.992 132 E CA 3.161 59.559 56.400 -0.004 0.000 0.804 132 E CB -0.458 29.238 29.700 -0.008 0.000 0.741 132 E HN -0.550 7.830 8.360 0.035 0.000 0.458 133 R N -0.661 119.822 120.500 -0.029 0.000 2.062 133 R HA -0.237 nan 4.340 nan 0.000 0.231 133 R C 2.406 178.613 176.300 -0.156 0.000 1.136 133 R CA 3.307 59.322 56.100 -0.142 0.000 0.948 133 R CB 0.149 30.464 30.300 0.025 0.000 0.845 133 R HN -0.150 8.036 8.270 0.024 0.099 0.430 134 C N -3.191 116.183 119.300 0.124 0.000 2.413 134 C HA -0.193 nan 4.460 nan 0.000 0.277 134 C C 1.859 176.919 174.990 0.116 0.000 1.265 134 C CA 2.035 61.195 59.018 0.236 0.000 1.752 134 C CB -2.027 25.836 27.740 0.206 0.000 1.998 134 C HN 0.288 8.602 8.230 0.140 0.000 0.489 135 A N 0.745 123.589 122.820 0.040 0.000 1.908 135 A HA -0.412 nan 4.320 nan 0.000 0.218 135 A C 1.792 179.374 177.584 -0.003 0.000 1.181 135 A CA 3.330 55.379 52.037 0.021 0.000 0.627 135 A CB -1.041 17.961 19.000 0.003 0.000 0.818 135 A HN 0.093 8.258 8.150 0.032 0.004 0.445 136 Q N -1.119 118.631 119.800 -0.084 0.000 2.119 136 Q HA -0.270 nan 4.340 nan 0.000 0.201 136 Q C 2.560 178.529 176.000 -0.051 0.000 0.972 136 Q CA 2.494 58.223 55.803 -0.123 0.000 0.847 136 Q CB -0.288 28.299 28.738 -0.251 0.000 0.903 136 Q HN -0.515 7.594 8.270 -0.118 0.090 0.433 137 Y N -1.077 119.281 120.300 0.097 0.000 2.200 137 Y HA -0.367 nan 4.550 nan 0.000 0.290 137 Y C 2.282 178.205 175.900 0.038 0.000 1.137 137 Y CA 2.429 60.573 58.100 0.073 0.000 1.163 137 Y CB -0.375 38.119 38.460 0.055 0.000 0.988 137 Y HN 0.001 8.090 8.280 -0.174 0.087 0.518 138 K N -0.404 120.108 120.400 0.186 0.000 2.026 138 K HA -0.378 nan 4.320 nan 0.000 0.208 138 K C 2.658 179.309 176.600 0.085 0.000 1.048 138 K CA 3.279 59.634 56.287 0.114 0.000 0.929 138 K CB -0.237 32.318 32.500 0.092 0.000 0.713 138 K HN 0.257 8.615 8.250 0.181 0.000 0.439 139 K N -1.037 119.407 120.400 0.074 0.000 2.211 139 K HA -0.228 nan 4.320 nan 0.000 0.204 139 K C 1.371 178.014 176.600 0.071 0.000 1.047 139 K CA 2.672 58.993 56.287 0.056 0.000 0.935 139 K CB -0.185 32.338 32.500 0.037 0.000 0.728 139 K HN -0.586 7.706 8.250 0.071 0.000 0.452 140 D N -4.545 115.919 120.400 0.107 0.000 2.349 140 D HA -0.008 nan 4.640 nan 0.000 0.215 140 D C 0.138 176.487 176.300 0.080 0.000 1.016 140 D CA 0.719 54.798 54.000 0.131 0.000 0.870 140 D CB 0.727 41.676 40.800 0.249 0.000 0.917 140 D HN -0.513 7.783 8.370 0.123 0.148 0.524 141 G N -3.020 105.817 108.800 0.062 0.000 2.336 141 G HA2 -0.301 nan 3.960 nan 0.000 0.194 141 G HA3 -0.301 nan 3.960 nan 0.000 0.194 141 G C -0.837 174.065 174.900 0.003 0.000 0.999 141 G CA -0.354 44.763 45.100 0.029 0.000 0.669 141 G HN -0.263 7.879 8.290 0.075 0.193 0.482 142 A N 0.196 123.016 122.820 0.001 0.000 2.407 142 A HA 0.023 nan 4.320 nan 0.000 0.248 142 A C -1.088 176.492 177.584 -0.008 0.000 1.082 142 A CA 0.251 52.250 52.037 -0.064 0.000 0.785 142 A CB 1.083 20.039 19.000 -0.074 0.000 1.020 142 A HN -0.317 7.861 8.150 0.047 0.000 0.489 143 D N -0.565 119.812 120.400 -0.038 0.000 2.318 143 D HA 0.419 nan 4.640 nan 0.000 0.294 143 D C -0.945 175.463 176.300 0.180 0.000 1.091 143 D CA 1.326 55.380 54.000 0.091 0.000 0.883 143 D CB 4.226 45.120 40.800 0.157 0.000 1.545 143 D HN 0.602 8.764 8.370 -0.177 0.101 0.513 144 F N -3.046 116.927 119.950 0.038 0.000 2.546 144 F HA 0.864 nan 4.527 nan 0.000 0.320 144 F C -2.691 173.148 175.800 0.065 0.000 1.076 144 F CA -2.744 55.284 58.000 0.047 0.000 0.928 144 F CB 2.842 41.862 39.000 0.033 0.000 1.189 144 F HN -0.663 7.452 8.300 -0.309 0.000 0.465 145 A N -0.425 122.574 122.820 0.299 0.000 2.313 145 A HA 0.873 nan 4.320 nan 0.000 0.323 145 A C -2.323 175.496 177.584 0.392 0.000 1.133 145 A CA -1.993 50.209 52.037 0.276 0.000 0.847 145 A CB 2.794 22.009 19.000 0.357 0.000 1.308 145 A HN 0.449 8.805 8.150 0.344 0.000 0.475 146 K N -1.035 119.549 120.400 0.306 0.000 2.468 146 K HA 0.706 nan 4.320 nan 0.000 0.252 146 K C -2.481 174.170 176.600 0.086 0.000 0.932 146 K CA -1.065 55.356 56.287 0.223 0.000 0.794 146 K CB 3.931 36.517 32.500 0.143 0.000 1.241 146 K HN -0.082 8.310 8.250 0.236 0.000 0.428 147 W N 5.796 126.904 121.300 -0.321 0.000 2.884 147 W HA 0.217 nan 4.660 nan 0.000 0.336 147 W C -2.904 173.442 176.519 -0.288 0.000 1.038 147 W CA -0.962 56.077 57.345 -0.510 0.000 1.247 147 W CB 3.560 32.239 29.460 -1.302 0.000 1.351 147 W HN -0.031 8.186 8.180 0.062 0.000 0.446 148 R N 6.165 126.537 120.500 -0.213 0.000 2.221 148 R HA 0.400 nan 4.340 nan 0.000 0.327 148 R C -1.525 174.732 176.300 -0.070 0.000 1.033 148 R CA -0.625 55.412 56.100 -0.105 0.000 0.887 148 R CB 1.688 31.913 30.300 -0.125 0.000 1.057 148 R HN -0.057 8.219 8.270 -0.427 -0.262 0.455 149 C N 7.149 126.467 119.300 0.029 0.000 2.376 149 C HA 0.507 nan 4.460 nan 0.000 0.335 149 C C -1.553 173.439 174.990 0.003 0.000 1.229 149 C CA -0.302 58.743 59.018 0.045 0.000 1.867 149 C CB 1.816 29.606 27.740 0.082 0.000 2.319 149 C HN 0.101 8.352 8.230 0.035 0.000 0.515 150 V N 4.828 124.740 119.914 -0.003 0.000 2.513 150 V HA 0.735 nan 4.120 nan 0.000 0.299 150 V C -1.650 174.441 176.094 -0.006 0.000 1.035 150 V CA -0.824 61.470 62.300 -0.010 0.000 0.889 150 V CB 2.068 33.879 31.823 -0.019 0.000 0.988 150 V HN 0.492 8.684 8.190 0.004 0.000 0.440 151 L N 6.879 128.097 121.223 -0.008 0.000 2.491 151 L HA 0.471 nan 4.340 nan 0.000 0.267 151 L C -2.102 174.760 176.870 -0.013 0.000 0.971 151 L CA -0.373 54.460 54.840 -0.010 0.000 0.857 151 L CB 3.283 45.332 42.059 -0.017 0.000 1.226 151 L HN 0.449 8.673 8.230 -0.009 0.000 0.408 152 K N 1.809 122.204 120.400 -0.009 0.000 2.235 152 K HA 0.346 nan 4.320 nan 0.000 0.266 152 K C -1.145 175.443 176.600 -0.021 0.000 0.980 152 K CA -1.467 54.815 56.287 -0.008 0.000 0.849 152 K CB 1.160 33.663 32.500 0.005 0.000 1.098 152 K HN 0.167 8.414 8.250 -0.005 0.000 0.445 153 I N 3.568 124.105 120.570 -0.055 0.000 2.575 153 I HA 0.192 nan 4.170 nan 0.000 0.285 153 I C 0.177 176.275 176.117 -0.031 0.000 1.085 153 I CA -0.057 61.187 61.300 -0.092 0.000 1.403 153 I CB 0.650 38.481 38.000 -0.281 0.000 1.409 153 I HN 0.590 8.763 8.210 -0.060 0.000 0.557 154 G N 4.767 113.549 108.800 -0.030 0.000 2.608 154 G HA2 0.198 nan 3.960 nan 0.000 0.291 154 G HA3 0.198 nan 3.960 nan 0.000 0.291 154 G C -0.493 174.353 174.900 -0.091 0.000 1.425 154 G CA 0.108 45.190 45.100 -0.031 0.000 0.787 154 G HN 0.221 8.409 8.290 -0.038 0.079 0.484 155 E N -0.867 119.215 120.200 -0.196 0.000 2.267 155 E HA -0.206 nan 4.350 nan 0.000 0.197 155 E C -0.324 175.996 176.600 -0.467 0.000 0.998 155 E CA 2.142 58.322 56.400 -0.366 0.000 0.830 155 E CB 0.157 29.538 29.700 -0.531 0.000 0.751 155 E HN 0.519 8.778 8.360 -0.169 0.000 0.491 156 H N -5.806 113.271 119.070 0.011 0.000 2.916 156 H HA 0.261 nan 4.556 nan 0.000 0.262 156 H C -1.581 173.754 175.328 0.011 0.000 1.178 156 H CA -1.067 54.987 56.048 0.011 0.000 1.090 156 H CB 1.001 30.769 29.762 0.009 0.000 1.657 156 H HN -0.372 7.759 8.280 -0.175 0.044 0.601 157 T N -1.426 113.167 114.554 0.065 0.000 2.903 157 T HA 0.447 nan 4.350 nan 0.000 0.299 157 T C -2.715 171.995 174.700 0.017 0.000 1.093 157 T CA -3.241 58.886 62.100 0.045 0.000 1.002 157 T CB 1.361 70.251 68.868 0.035 0.000 1.127 157 T HN -0.546 7.565 8.240 0.012 0.136 0.488 158 P HA 0.240 nan 4.420 nan 0.000 0.275 158 P C -1.468 175.851 177.300 0.033 0.000 1.228 158 P CA -0.807 62.304 63.100 0.019 0.000 0.786 158 P CB 1.018 32.721 31.700 0.005 0.000 0.927 159 S N 1.998 117.717 115.700 0.032 0.000 2.646 159 S HA 0.143 nan 4.470 nan 0.000 0.276 159 S C 1.277 175.891 174.600 0.023 0.000 1.222 159 S CA -1.501 56.719 58.200 0.034 0.000 1.014 159 S CB 2.623 65.843 63.200 0.032 0.000 0.991 159 S HN -0.289 8.378 8.310 0.027 -0.341 0.533 160 A N 3.499 126.332 122.820 0.023 0.000 1.903 160 A HA -0.315 nan 4.320 nan 0.000 0.219 160 A C 1.546 179.137 177.584 0.012 0.000 1.191 160 A CA 3.088 55.134 52.037 0.016 0.000 0.638 160 A CB -0.926 18.084 19.000 0.017 0.000 0.823 160 A HN 0.741 8.907 8.150 0.027 0.000 0.451 161 L N -1.581 119.650 121.223 0.014 0.000 2.042 161 L HA -0.318 nan 4.340 nan 0.000 0.210 161 L C 1.573 178.450 176.870 0.013 0.000 1.076 161 L CA 2.367 57.215 54.840 0.013 0.000 0.749 161 L CB -0.454 41.614 42.059 0.015 0.000 0.893 161 L HN -0.397 7.838 8.230 0.016 0.005 0.432 162 A N -1.209 121.618 122.820 0.013 0.000 1.933 162 A HA -0.300 nan 4.320 nan 0.000 0.218 162 A C 2.355 179.941 177.584 0.004 0.000 1.175 162 A CA 2.985 55.029 52.037 0.011 0.000 0.628 162 A CB -0.775 18.232 19.000 0.012 0.000 0.814 162 A HN -0.657 7.407 8.150 0.015 0.095 0.444 163 I N -2.087 118.483 120.570 -0.000 0.000 2.406 163 I HA -0.441 nan 4.170 nan 0.000 0.249 163 I C 1.811 177.919 176.117 -0.015 0.000 1.122 163 I CA 3.541 64.834 61.300 -0.011 0.000 1.431 163 I CB 0.089 38.081 38.000 -0.013 0.000 1.087 163 I HN -0.343 7.774 8.210 0.004 0.095 0.424 164 M N 0.429 120.026 119.600 -0.006 0.000 2.074 164 M HA -0.367 nan 4.480 nan 0.000 0.259 164 M C 1.327 177.625 176.300 -0.004 0.000 1.079 164 M CA 2.889 58.186 55.300 -0.004 0.000 1.119 164 M CB -0.428 32.175 32.600 0.005 0.000 1.297 164 M HN 0.223 8.513 8.290 0.000 0.000 0.416 165 E N -0.850 119.355 120.200 0.007 0.000 2.086 165 E HA -0.487 nan 4.350 nan 0.000 0.205 165 E C 2.471 179.078 176.600 0.011 0.000 1.027 165 E CA 3.292 59.701 56.400 0.015 0.000 0.830 165 E CB -0.679 29.035 29.700 0.024 0.000 0.751 165 E HN -0.232 8.133 8.360 0.010 0.000 0.456 166 N N -1.498 117.208 118.700 0.010 0.000 2.223 166 N HA -0.263 nan 4.740 nan 0.000 0.185 166 N C 2.177 177.670 175.510 -0.028 0.000 1.016 166 N CA 2.754 55.812 53.050 0.015 0.000 0.863 166 N CB -0.072 38.426 38.487 0.017 0.000 0.983 166 N HN -0.543 7.842 8.380 0.009 0.000 0.429 167 A N -0.488 122.298 122.820 -0.056 0.000 1.929 167 A HA -0.167 nan 4.320 nan 0.000 0.216 167 A C 2.056 179.543 177.584 -0.162 0.000 1.176 167 A CA 2.740 54.712 52.037 -0.108 0.000 0.628 167 A CB -0.374 18.567 19.000 -0.098 0.000 0.816 167 A HN -0.223 7.788 8.150 -0.040 0.115 0.444 168 N N -1.580 117.046 118.700 -0.124 0.000 2.216 168 N HA -0.182 nan 4.740 nan 0.000 0.183 168 N C 1.929 177.329 175.510 -0.183 0.000 1.017 168 N CA 2.959 55.909 53.050 -0.166 0.000 0.861 168 N CB 0.456 38.932 38.487 -0.018 0.000 0.986 168 N HN -0.587 7.751 8.380 -0.070 0.000 0.428 169 V N 0.349 120.195 119.914 -0.112 0.000 2.759 169 V HA -0.290 nan 4.120 nan 0.000 0.256 169 V C 1.242 177.131 176.094 -0.340 0.000 1.080 169 V CA 3.069 65.292 62.300 -0.128 0.000 1.101 169 V CB -0.578 31.263 31.823 0.030 0.000 0.698 169 V HN -0.501 7.648 8.190 -0.069 0.000 0.477 170 L N -1.448 119.597 121.223 -0.297 0.000 2.131 170 L HA -0.255 nan 4.340 nan 0.000 0.206 170 L C 1.574 178.306 176.870 -0.230 0.000 1.087 170 L CA 3.033 57.688 54.840 -0.307 0.000 0.767 170 L CB -0.733 41.214 42.059 -0.186 0.000 0.917 170 L HN -0.712 7.271 8.230 -0.209 0.123 0.441 171 A N -0.545 122.076 122.820 -0.332 0.000 1.933 171 A HA -0.316 nan 4.320 nan 0.000 0.218 171 A C 2.135 179.555 177.584 -0.274 0.000 1.175 171 A CA 3.271 55.055 52.037 -0.420 0.000 0.628 171 A CB -0.874 17.562 19.000 -0.940 0.000 0.814 171 A HN -0.387 7.477 8.150 -0.350 0.077 0.444 172 R N -2.162 118.205 120.500 -0.222 0.000 2.070 172 R HA -0.297 nan 4.340 nan 0.000 0.233 172 R C 1.981 178.198 176.300 -0.138 0.000 1.137 172 R CA 2.170 58.226 56.100 -0.074 0.000 0.945 172 R CB -0.732 29.533 30.300 -0.058 0.000 0.845 172 R HN -0.179 7.908 8.270 -0.284 0.012 0.430 173 Y N 0.734 120.769 120.300 -0.442 0.000 2.114 173 Y HA -0.470 nan 4.550 nan 0.000 0.282 173 Y C 1.126 176.887 175.900 -0.232 0.000 1.165 173 Y CA 3.105 60.904 58.100 -0.502 0.000 1.148 173 Y CB -0.557 37.251 38.460 -1.087 0.000 0.972 173 Y HN -0.627 7.460 8.280 -0.320 0.000 0.504 174 A N -2.080 120.347 122.820 -0.655 0.000 1.858 174 A HA -0.442 nan 4.320 nan 0.000 0.216 174 A C 2.204 179.614 177.584 -0.291 0.000 1.190 174 A CA 3.064 54.738 52.037 -0.605 0.000 0.617 174 A CB -0.891 17.904 19.000 -0.341 0.000 0.827 174 A HN -0.007 7.915 8.150 -0.379 0.000 0.443 175 S N -0.247 115.364 115.700 -0.149 0.000 2.372 175 S HA -0.410 nan 4.470 nan 0.000 0.227 175 S C 2.341 176.913 174.600 -0.046 0.000 1.044 175 S CA 4.201 62.376 58.200 -0.041 0.000 1.050 175 S CB -0.349 62.872 63.200 0.035 0.000 0.901 175 S HN -0.516 7.710 8.310 -0.141 0.000 0.447 176 I N 0.992 121.524 120.570 -0.063 0.000 2.226 176 I HA -0.446 nan 4.170 nan 0.000 0.245 176 I C 1.824 177.923 176.117 -0.031 0.000 1.100 176 I CA 3.546 64.830 61.300 -0.026 0.000 1.374 176 I CB -0.188 37.815 38.000 0.005 0.000 1.057 176 I HN -0.651 7.499 8.210 -0.090 0.006 0.413 177 C N -0.831 118.410 119.300 -0.097 0.000 2.413 177 C HA -0.433 nan 4.460 nan 0.000 0.277 177 C C 2.621 177.594 174.990 -0.028 0.000 1.228 177 C CA 3.874 62.851 59.018 -0.069 0.000 1.731 177 C CB -1.924 25.704 27.740 -0.188 0.000 2.042 177 C HN -0.483 7.556 8.230 -0.192 0.075 0.468 178 Q N -1.353 118.422 119.800 -0.042 0.000 2.112 178 Q HA -0.367 nan 4.340 nan 0.000 0.206 178 Q C 3.286 179.283 176.000 -0.005 0.000 0.987 178 Q CA 3.009 58.809 55.803 -0.005 0.000 0.858 178 Q CB -0.892 27.851 28.738 0.008 0.000 0.905 178 Q HN 0.068 8.288 8.270 -0.083 0.000 0.420 179 Q N -2.370 117.426 119.800 -0.006 0.000 2.437 179 Q HA -0.154 nan 4.340 nan 0.000 0.210 179 Q C 0.814 176.817 176.000 0.005 0.000 0.972 179 Q CA 1.659 57.460 55.803 -0.003 0.000 0.903 179 Q CB -0.424 28.315 28.738 0.001 0.000 0.967 179 Q HN -0.453 7.811 8.270 -0.010 0.000 0.486 180 N N -3.402 115.307 118.700 0.015 0.000 2.282 180 N HA 0.147 nan 4.740 nan 0.000 0.240 180 N C -0.178 175.355 175.510 0.037 0.000 1.182 180 N CA -0.211 52.856 53.050 0.030 0.000 0.874 180 N CB 0.831 39.346 38.487 0.047 0.000 1.126 180 N HN -0.408 7.783 8.380 0.013 0.197 0.516 181 G N -0.077 108.740 108.800 0.028 0.000 2.166 181 G HA2 -0.363 nan 3.960 nan 0.000 0.260 181 G HA3 -0.363 nan 3.960 nan 0.000 0.260 181 G C -0.655 174.282 174.900 0.062 0.000 0.986 181 G CA 0.976 46.099 45.100 0.037 0.000 0.683 181 G HN -0.289 7.854 8.290 0.016 0.157 0.527 182 I N 0.402 121.011 120.570 0.064 0.000 2.385 182 I HA 0.315 nan 4.170 nan 0.000 0.294 182 I C -0.040 176.127 176.117 0.083 0.000 0.988 182 I CA -1.647 59.706 61.300 0.089 0.000 1.265 182 I CB 0.880 38.937 38.000 0.096 0.000 1.388 182 I HN -0.412 7.774 8.210 0.049 0.053 0.480 183 V N 6.052 126.044 119.914 0.129 0.000 2.389 183 V HA 0.231 nan 4.120 nan 0.000 0.264 183 V C -1.646 174.511 176.094 0.104 0.000 1.049 183 V CA -3.831 58.533 62.300 0.107 0.000 0.932 183 V CB -0.698 31.189 31.823 0.107 0.000 1.011 183 V HN 0.520 8.814 8.190 0.173 0.000 0.475 184 P HA 0.319 nan 4.420 nan 0.000 0.287 184 P C -1.381 175.975 177.300 0.093 0.000 1.307 184 P CA -0.836 62.228 63.100 -0.060 0.000 0.777 184 P CB -0.028 31.394 31.700 -0.464 0.000 0.883 185 I N 5.771 126.499 120.570 0.263 0.000 2.291 185 I HA 0.301 nan 4.170 nan 0.000 0.290 185 I C -0.921 175.355 176.117 0.265 0.000 1.050 185 I CA -0.509 60.901 61.300 0.183 0.000 1.245 185 I CB -0.287 37.794 38.000 0.135 0.000 1.405 185 I HN -0.181 8.259 8.210 0.384 0.000 0.478 186 V N 2.733 122.754 119.914 0.178 0.000 2.607 186 V HA 0.706 nan 4.120 nan 0.000 0.289 186 V C -1.834 174.274 176.094 0.024 0.000 1.053 186 V CA -2.678 59.709 62.300 0.145 0.000 0.996 186 V CB 0.755 32.606 31.823 0.046 0.000 0.995 186 V HN 0.380 8.623 8.190 0.089 0.000 0.476 187 A N 3.147 125.978 122.820 0.020 0.000 2.651 187 A HA 0.620 nan 4.320 nan 0.000 0.290 187 A C -3.558 174.018 177.584 -0.014 0.000 1.185 187 A CA -1.974 50.056 52.037 -0.011 0.000 0.746 187 A CB 1.412 20.417 19.000 0.009 0.000 1.213 187 A HN 0.140 8.319 8.150 0.048 0.000 0.429 188 P HA 0.183 nan 4.420 nan 0.000 0.262 188 P C -2.027 175.257 177.300 -0.027 0.000 1.620 188 P CA -0.821 62.257 63.100 -0.037 0.000 1.089 188 P CB -0.715 30.944 31.700 -0.068 0.000 1.601 189 E N 5.712 125.905 120.200 -0.012 0.000 2.166 189 E HA -0.044 nan 4.350 nan 0.000 0.279 189 E C -1.219 175.377 176.600 -0.006 0.000 1.095 189 E CA -0.488 55.910 56.400 -0.004 0.000 0.888 189 E CB 0.608 30.308 29.700 -0.000 0.000 1.041 189 E HN -0.039 8.317 8.360 -0.006 0.000 0.414 190 I N 7.288 127.856 120.570 -0.003 0.000 2.428 190 I HA 0.135 nan 4.170 nan 0.000 0.289 190 I C -0.434 175.687 176.117 0.006 0.000 1.019 190 I CA 0.130 61.425 61.300 -0.009 0.000 1.351 190 I CB 0.963 38.953 38.000 -0.017 0.000 1.412 190 I HN -0.148 8.315 8.210 0.002 -0.252 0.513 191 L N 8.422 129.649 121.223 0.006 0.000 2.312 191 L HA 0.351 nan 4.340 nan 0.000 0.281 191 L C -1.121 175.794 176.870 0.076 0.000 1.070 191 L CA -2.503 52.355 54.840 0.030 0.000 0.805 191 L CB 0.293 42.366 42.059 0.024 0.000 1.174 191 L HN -0.007 8.218 8.230 -0.009 0.000 0.434 192 P HA 0.096 nan 4.420 nan 0.000 0.236 192 P C -0.970 176.407 177.300 0.129 0.000 1.177 192 P CA 0.311 63.492 63.100 0.136 0.000 0.773 192 P CB 0.469 32.214 31.700 0.075 0.000 0.878 193 D N 0.585 121.043 120.400 0.097 0.000 2.455 193 D HA -0.161 nan 4.640 nan 0.000 0.241 193 D C -0.462 175.876 176.300 0.064 0.000 1.138 193 D CA 1.605 55.622 54.000 0.029 0.000 0.877 193 D CB -0.080 40.719 40.800 -0.002 0.000 1.187 193 D HN -0.326 8.031 8.370 0.084 0.064 0.451 194 G N 0.070 108.807 108.800 -0.106 0.000 2.355 194 G HA2 -0.215 nan 3.960 nan 0.000 0.619 194 G HA3 -0.215 nan 3.960 nan 0.000 0.619 194 G C -1.912 172.747 174.900 -0.402 0.000 1.337 194 G CA -0.484 44.523 45.100 -0.154 0.000 0.993 194 G HN -0.492 7.710 8.290 -0.147 0.000 0.599 195 D N -3.509 116.720 120.400 -0.285 0.000 2.360 195 D HA -0.017 nan 4.640 nan 0.000 0.210 195 D C -0.462 175.694 176.300 -0.240 0.000 1.047 195 D CA 0.087 53.935 54.000 -0.254 0.000 0.854 195 D CB -0.397 40.332 40.800 -0.119 0.000 0.936 195 D HN 0.247 8.535 8.370 -0.136 0.000 0.514 196 H N -2.881 116.169 119.070 -0.033 0.000 3.107 196 H HA -0.203 nan 4.556 nan 0.000 0.342 196 H C -0.227 175.103 175.328 0.005 0.000 1.076 196 H CA -0.776 55.262 56.048 -0.018 0.000 1.356 196 H CB 0.880 30.628 29.762 -0.023 0.000 1.281 196 H HN -0.433 7.615 8.280 -0.293 0.056 0.604 197 D N -0.883 119.619 120.400 0.170 0.000 2.387 197 D HA -0.001 nan 4.640 nan 0.000 0.251 197 D C 0.826 177.187 176.300 0.100 0.000 1.141 197 D CA -0.726 53.368 54.000 0.157 0.000 0.987 197 D CB 1.582 42.478 40.800 0.160 0.000 1.116 197 D HN 0.123 8.591 8.370 0.163 0.000 0.491 198 L N -1.391 119.800 121.223 -0.053 0.000 2.043 198 L HA -0.365 nan 4.340 nan 0.000 0.212 198 L C 1.566 178.390 176.870 -0.078 0.000 1.075 198 L CA 3.651 58.342 54.840 -0.248 0.000 0.752 198 L CB 0.240 41.839 42.059 -0.768 0.000 0.891 198 L HN -0.187 8.063 8.230 0.032 0.000 0.432 199 K N -3.036 117.360 120.400 -0.005 0.000 2.026 199 K HA -0.364 nan 4.320 nan 0.000 0.208 199 K C 2.355 178.988 176.600 0.055 0.000 1.048 199 K CA 2.588 58.895 56.287 0.034 0.000 0.929 199 K CB -0.956 31.573 32.500 0.049 0.000 0.713 199 K HN -0.303 8.038 8.250 0.024 -0.077 0.439 200 R N -0.049 120.476 120.500 0.041 0.000 2.096 200 R HA -0.293 nan 4.340 nan 0.000 0.240 200 R C 2.141 178.458 176.300 0.029 0.000 1.139 200 R CA 3.154 59.272 56.100 0.029 0.000 0.952 200 R CB -0.472 29.840 30.300 0.021 0.000 0.854 200 R HN -0.643 7.846 8.270 0.046 -0.191 0.436 201 C N -0.933 118.358 119.300 -0.016 0.000 2.432 201 C HA -0.298 nan 4.460 nan 0.000 0.277 201 C C 1.637 176.627 174.990 -0.001 0.000 1.249 201 C CA 3.142 62.127 59.018 -0.056 0.000 1.725 201 C CB -1.968 25.750 27.740 -0.037 0.000 2.028 201 C HN -0.470 7.767 8.230 0.011 0.000 0.477 202 Q N 0.588 120.402 119.800 0.024 0.000 2.096 202 Q HA -0.436 nan 4.340 nan 0.000 0.204 202 Q C 1.697 177.730 176.000 0.056 0.000 0.982 202 Q CA 3.439 59.263 55.803 0.035 0.000 0.850 202 Q CB -0.270 28.491 28.738 0.040 0.000 0.901 202 Q HN -0.488 7.792 8.270 0.017 0.000 0.422 203 Y N -0.068 120.218 120.300 -0.023 0.000 2.097 203 Y HA -0.514 nan 4.550 nan 0.000 0.282 203 Y C 2.071 177.957 175.900 -0.023 0.000 1.152 203 Y CA 3.920 62.010 58.100 -0.017 0.000 1.136 203 Y CB 0.113 38.563 38.460 -0.017 0.000 0.975 203 Y HN -0.009 8.394 8.280 0.205 0.000 0.498 204 V N -1.924 118.039 119.914 0.081 0.000 2.295 204 V HA -0.567 nan 4.120 nan 0.000 0.246 204 V C 1.914 177.965 176.094 -0.072 0.000 1.049 204 V CA 4.677 66.972 62.300 -0.010 0.000 1.024 204 V CB -1.137 30.690 31.823 0.008 0.000 0.648 204 V HN -0.269 8.026 8.190 0.175 0.000 0.447 205 T N 2.040 116.564 114.554 -0.049 0.000 2.624 205 T HA -0.476 nan 4.350 nan 0.000 0.268 205 T C 1.638 176.300 174.700 -0.064 0.000 1.041 205 T CA 5.404 67.476 62.100 -0.046 0.000 1.159 205 T CB -0.624 68.231 68.868 -0.021 0.000 0.863 205 T HN 0.290 8.514 8.240 -0.026 0.000 0.434 206 E N -0.274 119.874 120.200 -0.086 0.000 2.085 206 E HA -0.417 nan 4.350 nan 0.000 0.194 206 E C 2.523 179.051 176.600 -0.120 0.000 0.994 206 E CA 3.585 59.927 56.400 -0.097 0.000 0.801 206 E CB -0.247 29.379 29.700 -0.122 0.000 0.743 206 E HN -0.217 8.092 8.360 -0.085 0.000 0.453 207 K N -1.327 118.963 120.400 -0.182 0.000 2.001 207 K HA -0.187 nan 4.320 nan 0.000 0.208 207 K C 2.460 179.008 176.600 -0.087 0.000 1.048 207 K CA 2.398 58.590 56.287 -0.157 0.000 0.932 207 K CB -0.675 31.709 32.500 -0.194 0.000 0.715 207 K HN -0.790 7.226 8.250 -0.229 0.097 0.437 208 V N 0.753 120.622 119.914 -0.076 0.000 2.231 208 V HA -0.401 nan 4.120 nan 0.000 0.248 208 V C 2.144 178.204 176.094 -0.057 0.000 1.054 208 V CA 4.591 66.855 62.300 -0.060 0.000 1.015 208 V CB -0.813 30.977 31.823 -0.056 0.000 0.638 208 V HN 0.055 8.193 8.190 -0.086 0.000 0.444 209 L N -2.764 118.434 121.223 -0.042 0.000 2.127 209 L HA -0.464 nan 4.340 nan 0.000 0.211 209 L C 1.986 178.892 176.870 0.061 0.000 1.089 209 L CA 3.236 58.076 54.840 0.000 0.000 0.757 209 L CB -1.019 41.062 42.059 0.037 0.000 0.899 209 L HN 0.128 8.330 8.230 -0.045 0.000 0.434 210 A N -1.244 121.591 122.820 0.025 0.000 1.898 210 A HA -0.330 nan 4.320 nan 0.000 0.216 210 A C 1.795 179.392 177.584 0.022 0.000 1.181 210 A CA 2.974 55.033 52.037 0.037 0.000 0.620 210 A CB -1.060 17.936 19.000 -0.006 0.000 0.819 210 A HN -0.454 7.668 8.150 -0.012 0.021 0.442 211 A N -2.355 120.455 122.820 -0.018 0.000 1.969 211 A HA -0.221 nan 4.320 nan 0.000 0.218 211 A C 2.164 179.711 177.584 -0.062 0.000 1.169 211 A CA 2.950 54.968 52.037 -0.032 0.000 0.635 211 A CB -0.552 18.424 19.000 -0.039 0.000 0.810 211 A HN -0.340 7.792 8.150 -0.029 0.000 0.445 212 V N -0.131 119.719 119.914 -0.106 0.000 2.261 212 V HA -0.441 nan 4.120 nan 0.000 0.246 212 V C 2.006 177.933 176.094 -0.279 0.000 1.047 212 V CA 4.839 67.003 62.300 -0.227 0.000 1.015 212 V CB -0.805 30.816 31.823 -0.336 0.000 0.642 212 V HN -0.140 7.896 8.190 -0.085 0.103 0.446 213 Y N -1.953 118.308 120.300 -0.064 0.000 2.314 213 Y HA -0.442 nan 4.550 nan 0.000 0.293 213 Y C 1.871 177.744 175.900 -0.045 0.000 1.129 213 Y CA 3.604 61.671 58.100 -0.056 0.000 1.201 213 Y CB -0.355 38.076 38.460 -0.048 0.000 0.999 213 Y HN -0.382 7.880 8.280 -0.030 0.000 0.541 214 K N 0.051 120.499 120.400 0.080 0.000 2.009 214 K HA -0.437 nan 4.320 nan 0.000 0.210 214 K C 1.846 178.455 176.600 0.016 0.000 1.049 214 K CA 2.503 58.815 56.287 0.042 0.000 0.929 214 K CB -0.747 31.767 32.500 0.023 0.000 0.714 214 K HN -0.381 7.913 8.250 0.073 0.000 0.440 215 A N -1.675 121.131 122.820 -0.024 0.000 1.933 215 A HA -0.199 nan 4.320 nan 0.000 0.218 215 A C 2.469 180.014 177.584 -0.065 0.000 1.175 215 A CA 2.811 54.822 52.037 -0.044 0.000 0.628 215 A CB -0.885 18.032 19.000 -0.139 0.000 0.814 215 A HN -0.534 7.590 8.150 -0.043 0.000 0.444 216 L N -3.093 118.075 121.223 -0.091 0.000 2.131 216 L HA -0.418 nan 4.340 nan 0.000 0.210 216 L C 1.823 178.704 176.870 0.018 0.000 1.092 216 L CA 2.579 57.382 54.840 -0.061 0.000 0.759 216 L CB -0.513 41.520 42.059 -0.044 0.000 0.903 216 L HN -0.279 7.798 8.230 -0.101 0.092 0.435 217 S N -0.600 115.115 115.700 0.025 0.000 2.345 217 S HA -0.298 nan 4.470 nan 0.000 0.220 217 S C 2.515 177.051 174.600 -0.107 0.000 1.031 217 S CA 3.614 61.812 58.200 -0.003 0.000 0.996 217 S CB -0.230 62.978 63.200 0.014 0.000 0.882 217 S HN -0.237 7.965 8.310 0.032 0.127 0.445 218 D N 2.077 122.435 120.400 -0.069 0.000 2.178 218 D HA -0.191 nan 4.640 nan 0.000 0.201 218 D C 1.772 177.853 176.300 -0.365 0.000 0.980 218 D CA 2.767 56.663 54.000 -0.174 0.000 0.842 218 D CB -0.266 40.523 40.800 -0.018 0.000 0.948 218 D HN -0.470 7.903 8.370 0.006 0.000 0.472 219 H N -4.110 114.807 119.070 -0.256 0.000 2.547 219 H HA 0.061 nan 4.556 nan 0.000 0.266 219 H C -0.912 174.409 175.328 -0.011 0.000 0.988 219 H CA 0.622 56.602 56.048 -0.113 0.000 1.147 219 H CB 0.616 30.353 29.762 -0.042 0.000 1.365 219 H HN -0.767 7.590 8.280 0.175 0.027 0.589 220 H N -4.395 114.749 119.070 0.124 0.000 2.889 220 H HA -0.368 nan 4.556 nan 0.000 0.324 220 H C -0.971 174.417 175.328 0.100 0.000 1.274 220 H CA 0.481 56.585 56.048 0.095 0.000 1.176 220 H CB -2.745 27.061 29.762 0.074 0.000 1.479 220 H HN -0.370 7.531 8.280 -0.323 0.186 0.438 221 I N -2.030 118.634 120.570 0.156 0.000 2.440 221 I HA -0.001 nan 4.170 nan 0.000 0.294 221 I C -0.374 175.853 176.117 0.183 0.000 0.995 221 I CA -2.001 59.383 61.300 0.140 0.000 1.306 221 I CB 0.817 38.859 38.000 0.070 0.000 1.407 221 I HN -0.604 7.671 8.210 0.108 0.000 0.501 222 Y N 7.067 127.393 120.300 0.043 0.000 2.600 222 Y HA 0.057 nan 4.550 nan 0.000 0.351 222 Y C -0.455 175.471 175.900 0.043 0.000 1.042 222 Y CA -0.986 57.139 58.100 0.043 0.000 1.333 222 Y CB -0.544 37.936 38.460 0.033 0.000 1.172 222 Y HN 0.101 8.542 8.280 0.267 0.000 0.517 223 L N 7.385 128.524 121.223 -0.140 0.000 2.275 223 L HA -0.423 nan 4.340 nan 0.000 0.215 223 L C 1.202 177.884 176.870 -0.312 0.000 1.119 223 L CA 2.484 57.237 54.840 -0.144 0.000 0.790 223 L CB -0.656 41.373 42.059 -0.050 0.000 0.919 223 L HN 0.123 8.319 8.230 -0.058 0.000 0.443 224 E N -1.872 117.894 120.200 -0.723 0.000 2.274 224 E HA -0.120 nan 4.350 nan 0.000 0.194 224 E C 0.921 177.281 176.600 -0.400 0.000 0.996 224 E CA 1.909 57.941 56.400 -0.614 0.000 0.840 224 E CB -0.446 28.808 29.700 -0.743 0.000 0.772 224 E HN 0.280 7.962 8.360 -1.066 0.039 0.491 225 G N -0.808 107.748 108.800 -0.405 0.000 4.699 225 G HA2 0.267 nan 3.960 nan 0.000 0.308 225 G HA3 0.267 nan 3.960 nan 0.000 0.308 225 G C -1.852 173.070 174.900 0.038 0.000 1.399 225 G CA -0.566 44.589 45.100 0.091 0.000 1.221 225 G HN -0.569 7.149 8.290 -0.708 0.147 0.596 226 T N -0.113 114.414 114.554 -0.046 0.000 2.802 226 T HA 0.249 nan 4.350 nan 0.000 0.311 226 T C -2.237 172.425 174.700 -0.063 0.000 1.405 226 T CA -0.954 61.125 62.100 -0.035 0.000 1.016 226 T CB 3.341 72.196 68.868 -0.022 0.000 1.352 226 T HN -0.966 7.155 8.240 -0.095 0.062 0.498 227 L N -0.366 120.825 121.223 -0.053 0.000 2.393 227 L HA 0.848 nan 4.340 nan 0.000 0.260 227 L C -2.799 174.026 176.870 -0.074 0.000 1.002 227 L CA -0.550 54.235 54.840 -0.092 0.000 0.818 227 L CB 5.093 47.074 42.059 -0.131 0.000 1.369 227 L HN -0.028 8.187 8.230 -0.024 0.000 0.412 228 L N 1.191 122.339 121.223 -0.125 0.000 2.333 228 L HA 0.628 nan 4.340 nan 0.000 0.280 228 L C -2.444 174.309 176.870 -0.195 0.000 1.004 228 L CA -1.216 53.538 54.840 -0.143 0.000 0.820 228 L CB 3.063 45.026 42.059 -0.160 0.000 1.247 228 L HN 0.478 8.610 8.230 -0.164 0.000 0.416 229 K N 7.728 128.044 120.400 -0.140 0.000 2.533 229 K HA 0.437 nan 4.320 nan 0.000 0.207 229 K C -2.282 174.248 176.600 -0.117 0.000 1.052 229 K CA -3.440 52.773 56.287 -0.124 0.000 1.030 229 K CB 0.549 33.028 32.500 -0.034 0.000 1.522 229 K HN 0.413 8.603 8.250 -0.099 0.000 0.543 230 P HA 0.267 nan 4.420 nan 0.000 0.286 230 P C -1.724 175.577 177.300 0.002 0.000 1.292 230 P CA -1.495 61.527 63.100 -0.130 0.000 0.842 230 P CB 1.746 33.323 31.700 -0.205 0.000 1.207 231 N N -1.908 116.837 118.700 0.074 0.000 2.495 231 N HA 0.082 nan 4.740 nan 0.000 0.280 231 N C -0.744 174.920 175.510 0.256 0.000 1.168 231 N CA -0.711 52.435 53.050 0.161 0.000 0.978 231 N CB 0.707 39.242 38.487 0.080 0.000 1.191 231 N HN 0.056 8.453 8.380 0.027 0.000 0.497 232 M N -1.332 118.413 119.600 0.242 0.000 2.255 232 M HA -0.005 nan 4.480 nan 0.000 0.336 232 M C 0.116 176.460 176.300 0.073 0.000 1.135 232 M CA 0.039 55.434 55.300 0.158 0.000 1.145 232 M CB 1.518 34.103 32.600 -0.025 0.000 1.473 232 M HN 0.148 8.551 8.290 0.187 0.000 0.462 233 V N 3.401 123.342 119.914 0.045 0.000 2.387 233 V HA 0.060 nan 4.120 nan 0.000 0.260 233 V C -0.696 175.366 176.094 -0.054 0.000 1.054 233 V CA 0.336 62.637 62.300 0.001 0.000 0.967 233 V CB -1.824 29.999 31.823 -0.000 0.000 1.036 233 V HN 0.110 8.334 8.190 0.057 0.000 0.481 234 T N 4.228 118.751 114.554 -0.052 0.000 2.865 234 T HA 0.532 nan 4.350 nan 0.000 0.294 234 T C -2.720 171.934 174.700 -0.078 0.000 1.119 234 T CA -3.472 58.568 62.100 -0.101 0.000 1.007 234 T CB 1.267 70.101 68.868 -0.056 0.000 1.225 234 T HN -0.343 7.888 8.240 -0.015 0.000 0.515 235 P HA 0.144 nan 4.420 nan 0.000 0.277 235 P C -0.479 176.788 177.300 -0.054 0.000 1.271 235 P CA -0.748 62.326 63.100 -0.043 0.000 0.795 235 P CB 0.983 32.695 31.700 0.020 0.000 1.101 236 G N -2.237 106.384 108.800 -0.298 0.000 2.569 236 G HA2 -0.084 nan 3.960 nan 0.000 0.249 236 G HA3 -0.084 nan 3.960 nan 0.000 0.249 236 G C 0.548 175.251 174.900 -0.329 0.000 1.216 236 G CA -0.913 43.840 45.100 -0.578 0.000 0.845 236 G HN 0.161 8.273 8.290 -0.298 0.000 0.568 237 H N 4.794 123.647 119.070 -0.362 0.000 2.492 237 H HA -0.379 nan 4.556 nan 0.000 0.296 237 H C -0.433 174.392 175.328 -0.838 0.000 1.095 237 H CA 3.159 58.955 56.048 -0.419 0.000 1.281 237 H CB 0.141 29.711 29.762 -0.320 0.000 1.374 237 H HN 0.565 8.663 8.280 -0.131 0.103 0.545 238 A N -3.599 118.868 122.820 -0.588 0.000 2.713 238 A HA 0.120 nan 4.320 nan 0.000 0.296 238 A C -1.086 176.295 177.584 -0.338 0.000 1.255 238 A CA -1.257 50.320 52.037 -0.767 0.000 0.955 238 A CB 0.221 18.944 19.000 -0.463 0.000 1.149 238 A HN -0.282 7.554 8.150 -0.431 0.055 0.538 239 C N -0.375 118.766 119.300 -0.265 0.000 2.514 239 C HA 0.001 nan 4.460 nan 0.000 0.392 239 C C 1.154 176.136 174.990 -0.014 0.000 1.294 239 C CA 0.925 59.882 59.018 -0.103 0.000 1.957 239 C CB 0.204 27.922 27.740 -0.036 0.000 2.541 239 C HN -0.151 7.745 8.230 -0.323 0.140 0.569 240 T N 3.487 118.042 114.554 0.002 0.000 3.148 240 T HA -0.011 nan 4.350 nan 0.000 0.253 240 T C -0.643 174.064 174.700 0.012 0.000 1.134 240 T CA 0.467 62.583 62.100 0.026 0.000 1.051 240 T CB -0.550 68.305 68.868 -0.022 0.000 0.959 240 T HN 0.382 8.613 8.240 -0.016 0.000 0.525 241 Q N -0.093 119.690 119.800 -0.029 0.000 2.205 241 Q HA 0.190 nan 4.340 nan 0.000 0.249 241 Q C -1.195 174.653 176.000 -0.252 0.000 0.948 241 Q CA -0.600 55.098 55.803 -0.176 0.000 0.895 241 Q CB 1.586 30.152 28.738 -0.286 0.000 1.249 241 Q HN -0.633 7.552 8.270 0.009 0.090 0.458 242 K N 2.244 122.409 120.400 -0.390 0.000 2.221 242 K HA 0.344 nan 4.320 nan 0.000 0.258 242 K C -1.576 174.730 176.600 -0.491 0.000 0.944 242 K CA -0.857 55.261 56.287 -0.283 0.000 0.823 242 K CB 1.176 33.584 32.500 -0.154 0.000 1.113 242 K HN 0.195 8.193 8.250 -0.420 0.000 0.431 243 Y N 0.699 120.961 120.300 -0.064 0.000 2.512 243 Y HA 0.343 nan 4.550 nan 0.000 0.348 243 Y C -0.821 175.007 175.900 -0.120 0.000 0.990 243 Y CA -1.745 56.314 58.100 -0.068 0.000 1.033 243 Y CB 3.362 41.790 38.460 -0.054 0.000 1.259 243 Y HN 0.043 8.346 8.280 0.038 0.000 0.461 244 S N 1.442 117.182 115.700 0.067 0.000 2.554 244 S HA 0.322 nan 4.470 nan 0.000 0.278 244 S C 1.013 175.601 174.600 -0.019 0.000 1.242 244 S CA -1.160 57.023 58.200 -0.029 0.000 1.051 244 S CB 2.415 65.628 63.200 0.022 0.000 0.986 244 S HN 0.101 8.713 8.310 0.129 -0.225 0.502 245 H N 4.240 123.342 119.070 0.053 0.000 2.325 245 H HA -0.469 nan 4.556 nan 0.000 0.293 245 H C 1.961 177.304 175.328 0.025 0.000 1.106 245 H CA 4.724 60.792 56.048 0.033 0.000 1.247 245 H CB -0.200 29.579 29.762 0.029 0.000 1.359 245 H HN 0.646 8.752 8.280 -0.291 0.000 0.488 246 E N -2.501 117.790 120.200 0.151 0.000 2.077 246 E HA -0.373 nan 4.350 nan 0.000 0.193 246 E C 2.076 178.718 176.600 0.070 0.000 0.989 246 E CA 2.909 59.365 56.400 0.094 0.000 0.800 246 E CB -0.778 28.968 29.700 0.078 0.000 0.746 246 E HN 0.135 8.588 8.360 0.156 0.000 0.452 247 E N 0.253 120.496 120.200 0.072 0.000 2.085 247 E HA -0.282 nan 4.350 nan 0.000 0.194 247 E C 2.466 179.084 176.600 0.030 0.000 0.994 247 E CA 2.840 59.280 56.400 0.067 0.000 0.801 247 E CB -0.289 29.479 29.700 0.113 0.000 0.743 247 E HN -0.807 7.601 8.360 0.080 0.000 0.453 248 I N -0.681 119.900 120.570 0.019 0.000 2.179 248 I HA -0.534 nan 4.170 nan 0.000 0.242 248 I C 1.732 177.840 176.117 -0.015 0.000 1.088 248 I CA 3.499 64.783 61.300 -0.028 0.000 1.357 248 I CB -0.330 37.665 38.000 -0.009 0.000 1.051 248 I HN -0.378 7.769 8.210 0.046 0.090 0.409 249 A N -0.373 122.453 122.820 0.009 0.000 1.841 249 A HA -0.397 nan 4.320 nan 0.000 0.216 249 A C 1.710 179.311 177.584 0.028 0.000 1.199 249 A CA 3.079 55.119 52.037 0.004 0.000 0.621 249 A CB -0.834 18.178 19.000 0.021 0.000 0.835 249 A HN -0.345 7.753 8.150 0.033 0.072 0.445 250 M N -0.306 119.318 119.600 0.040 0.000 2.204 250 M HA -0.547 nan 4.480 nan 0.000 0.255 250 M C 1.936 178.265 176.300 0.049 0.000 1.073 250 M CA 2.486 57.816 55.300 0.049 0.000 1.084 250 M CB -0.630 31.998 32.600 0.046 0.000 1.289 250 M HN -0.034 8.280 8.290 0.041 0.000 0.419 251 A N -3.707 119.131 122.820 0.029 0.000 1.908 251 A HA -0.367 nan 4.320 nan 0.000 0.218 251 A C 2.015 179.623 177.584 0.039 0.000 1.181 251 A CA 3.467 55.517 52.037 0.022 0.000 0.627 251 A CB -1.198 17.791 19.000 -0.017 0.000 0.818 251 A HN -0.217 7.943 8.150 0.018 0.000 0.445 252 T N 2.328 116.908 114.554 0.043 0.000 2.708 252 T HA -0.252 nan 4.350 nan 0.000 0.266 252 T C 2.010 176.785 174.700 0.126 0.000 1.037 252 T CA 4.465 66.616 62.100 0.086 0.000 1.146 252 T CB -0.367 68.542 68.868 0.069 0.000 0.865 252 T HN -0.536 7.636 8.240 0.024 0.082 0.435 253 V N 0.958 120.951 119.914 0.132 0.000 2.490 253 V HA -0.391 nan 4.120 nan 0.000 0.250 253 V C 1.810 178.007 176.094 0.171 0.000 1.061 253 V CA 4.673 67.084 62.300 0.185 0.000 1.064 253 V CB -1.180 30.753 31.823 0.183 0.000 0.670 253 V HN 0.309 8.560 8.190 0.101 0.000 0.461 254 T N 1.289 115.912 114.554 0.116 0.000 2.777 254 T HA -0.290 nan 4.350 nan 0.000 0.266 254 T C 1.384 176.134 174.700 0.084 0.000 1.040 254 T CA 4.985 67.143 62.100 0.097 0.000 1.141 254 T CB -0.732 68.177 68.868 0.069 0.000 0.868 254 T HN 0.008 8.292 8.240 0.097 0.014 0.444 255 A N 1.615 124.474 122.820 0.065 0.000 1.877 255 A HA -0.264 nan 4.320 nan 0.000 0.216 255 A C 1.736 179.335 177.584 0.025 0.000 1.186 255 A CA 3.209 55.267 52.037 0.035 0.000 0.620 255 A CB -0.994 18.021 19.000 0.025 0.000 0.822 255 A HN -0.524 7.667 8.150 0.068 0.000 0.443 256 L N -2.553 118.679 121.223 0.015 0.000 1.994 256 L HA -0.495 nan 4.340 nan 0.000 0.208 256 L C 2.447 179.373 176.870 0.094 0.000 1.071 256 L CA 3.176 57.962 54.840 -0.091 0.000 0.745 256 L CB -0.570 41.306 42.059 -0.304 0.000 0.892 256 L HN -0.416 7.840 8.230 0.043 0.000 0.431 257 R N -1.666 119.006 120.500 0.287 0.000 2.159 257 R HA -0.322 nan 4.340 nan 0.000 0.237 257 R C 2.352 178.757 176.300 0.175 0.000 1.131 257 R CA 3.139 59.450 56.100 0.351 0.000 0.982 257 R CB -0.306 30.146 30.300 0.254 0.000 0.868 257 R HN 0.163 8.477 8.270 0.258 0.111 0.453 258 R N -3.868 116.695 120.500 0.106 0.000 2.275 258 R HA -0.012 nan 4.340 nan 0.000 0.199 258 R C 0.753 177.075 176.300 0.036 0.000 0.989 258 R CA 1.820 57.955 56.100 0.057 0.000 1.016 258 R CB 0.519 30.840 30.300 0.035 0.000 0.918 258 R HN -0.099 8.104 8.270 0.100 0.128 0.473 259 T N -8.935 105.641 114.554 0.037 0.000 3.029 259 T HA 0.139 nan 4.350 nan 0.000 0.256 259 T C 0.046 174.717 174.700 -0.049 0.000 0.914 259 T CA 0.160 62.268 62.100 0.013 0.000 0.880 259 T CB 1.599 70.484 68.868 0.029 0.000 1.246 259 T HN -0.424 7.686 8.240 0.055 0.164 0.523 260 V N 5.201 125.076 119.914 -0.065 0.000 2.406 260 V HA 0.396 nan 4.120 nan 0.000 0.272 260 V C -2.057 174.014 176.094 -0.040 0.000 1.043 260 V CA -2.615 59.536 62.300 -0.249 0.000 0.915 260 V CB -0.315 31.271 31.823 -0.394 0.000 0.988 260 V HN 0.260 8.364 8.190 0.022 0.099 0.466 261 P HA 0.301 nan 4.420 nan 0.000 0.271 261 P C -1.251 176.096 177.300 0.078 0.000 1.216 261 P CA -1.104 61.923 63.100 -0.121 0.000 0.771 261 P CB -0.573 30.968 31.700 -0.265 0.000 0.864 262 P HA -0.233 nan 4.420 nan 0.000 0.218 262 P C -0.415 176.908 177.300 0.038 0.000 1.146 262 P CA 1.981 65.071 63.100 -0.017 0.000 0.813 262 P CB -0.219 31.417 31.700 -0.108 0.000 0.778 263 A N -4.255 118.560 122.820 -0.008 0.000 1.986 263 A HA -0.131 nan 4.320 nan 0.000 0.220 263 A C 0.416 177.975 177.584 -0.041 0.000 1.171 263 A CA 0.900 52.911 52.037 -0.043 0.000 0.640 263 A CB -0.127 18.828 19.000 -0.075 0.000 0.811 263 A HN -0.384 7.724 8.150 -0.031 0.024 0.451 264 V N -1.079 118.836 119.914 0.003 0.000 2.420 264 V HA -0.263 nan 4.120 nan 0.000 0.274 264 V C 0.321 176.426 176.094 0.018 0.000 1.003 264 V CA 1.352 63.646 62.300 -0.010 0.000 1.092 264 V CB -1.668 30.116 31.823 -0.065 0.000 1.002 264 V HN -0.448 7.611 8.190 0.020 0.142 0.473 265 T N 6.303 120.797 114.554 -0.099 0.000 2.833 265 T HA -0.118 nan 4.350 nan 0.000 0.269 265 T C -0.542 174.065 174.700 -0.155 0.000 1.054 265 T CA 2.984 64.961 62.100 -0.205 0.000 1.135 265 T CB 0.471 69.063 68.868 -0.461 0.000 0.869 265 T HN 0.085 8.249 8.240 -0.127 0.000 0.466 266 G N -3.425 105.296 108.800 -0.133 0.000 2.720 266 G HA2 0.355 nan 3.960 nan 0.000 0.295 266 G HA3 0.355 nan 3.960 nan 0.000 0.295 266 G C -3.271 171.518 174.900 -0.185 0.000 1.437 266 G CA 0.347 45.368 45.100 -0.131 0.000 0.886 266 G HN -0.783 7.427 8.290 -0.135 0.000 0.509 267 V N 1.315 121.104 119.914 -0.208 0.000 2.325 267 V HA 0.616 nan 4.120 nan 0.000 0.280 267 V C -1.081 174.813 176.094 -0.332 0.000 1.016 267 V CA -1.512 60.572 62.300 -0.360 0.000 0.818 267 V CB 1.515 33.022 31.823 -0.527 0.000 1.019 267 V HN 0.804 8.916 8.190 -0.130 0.000 0.434 268 T N 5.369 119.748 114.554 -0.292 0.000 2.891 268 T HA 0.475 nan 4.350 nan 0.000 0.315 268 T C -0.089 174.548 174.700 -0.106 0.000 1.054 268 T CA -2.496 59.499 62.100 -0.176 0.000 0.958 268 T CB -0.982 67.788 68.868 -0.164 0.000 1.008 268 T HN 0.437 8.510 8.240 -0.277 0.000 0.521 269 F N 6.369 126.353 119.950 0.058 0.000 2.572 269 F HA -0.021 nan 4.527 nan 0.000 0.370 269 F C -0.258 175.739 175.800 0.328 0.000 1.103 269 F CA 1.257 59.358 58.000 0.167 0.000 1.286 269 F CB 0.854 39.984 39.000 0.216 0.000 1.105 269 F HN 0.270 8.731 8.300 0.268 0.000 0.583 270 L N -1.709 119.752 121.223 0.397 0.000 2.350 270 L HA 0.359 nan 4.340 nan 0.000 0.275 270 L C 0.015 176.981 176.870 0.161 0.000 1.099 270 L CA -0.415 54.603 54.840 0.296 0.000 0.808 270 L CB 0.045 42.194 42.059 0.149 0.000 1.149 270 L HN -0.258 8.165 8.230 0.322 0.000 0.442 271 S N 2.479 118.178 115.700 -0.002 0.000 2.372 271 S HA -0.326 nan 4.470 nan 0.000 0.227 271 S C 1.928 176.419 174.600 -0.182 0.000 1.044 271 S CA 2.530 60.519 58.200 -0.353 0.000 1.050 271 S CB -0.073 62.989 63.200 -0.231 0.000 0.901 271 S HN -0.089 8.323 8.310 0.171 0.000 0.447 272 G N -0.438 108.328 108.800 -0.057 0.000 2.205 272 G HA2 -0.324 nan 3.960 nan 0.000 0.269 272 G HA3 -0.324 nan 3.960 nan 0.000 0.269 272 G C 0.281 175.165 174.900 -0.026 0.000 0.977 272 G CA 0.147 45.233 45.100 -0.024 0.000 0.652 272 G HN 0.223 8.501 8.290 -0.019 0.000 0.539 273 G N -3.013 105.757 108.800 -0.049 0.000 2.154 273 G HA2 -0.264 nan 3.960 nan 0.000 0.186 273 G HA3 -0.264 nan 3.960 nan 0.000 0.186 273 G C -0.328 174.550 174.900 -0.036 0.000 1.000 273 G CA -0.482 44.604 45.100 -0.023 0.000 0.664 273 G HN 0.055 8.220 8.290 -0.081 0.076 0.513 274 Q N -0.027 119.724 119.800 -0.081 0.000 2.249 274 Q HA 0.154 nan 4.340 nan 0.000 0.226 274 Q C -0.893 175.062 176.000 -0.074 0.000 0.983 274 Q CA -1.036 54.721 55.803 -0.076 0.000 0.930 274 Q CB 1.448 30.124 28.738 -0.104 0.000 1.193 274 Q HN -0.498 7.699 8.270 -0.120 0.000 0.508 275 S N -0.695 114.977 115.700 -0.046 0.000 2.565 275 S HA 0.112 nan 4.470 nan 0.000 0.276 275 S C 1.331 175.894 174.600 -0.061 0.000 1.326 275 S CA -0.653 57.527 58.200 -0.034 0.000 1.045 275 S CB 1.345 64.541 63.200 -0.006 0.000 0.918 275 S HN 0.051 8.342 8.310 -0.031 0.000 0.505 276 E N 5.456 125.623 120.200 -0.054 0.000 2.113 276 E HA -0.556 nan 4.350 nan 0.000 0.210 276 E C 1.451 178.002 176.600 -0.082 0.000 1.040 276 E CA 3.743 60.103 56.400 -0.068 0.000 0.847 276 E CB -0.601 29.079 29.700 -0.033 0.000 0.755 276 E HN 0.666 9.005 8.360 -0.034 0.000 0.459 277 E N -1.550 118.624 120.200 -0.044 0.000 2.049 277 E HA -0.377 nan 4.350 nan 0.000 0.198 277 E C 2.170 178.739 176.600 -0.051 0.000 1.007 277 E CA 2.942 59.327 56.400 -0.025 0.000 0.809 277 E CB -0.578 29.134 29.700 0.021 0.000 0.749 277 E HN 0.087 8.428 8.360 -0.024 0.005 0.450 278 E N -1.434 118.745 120.200 -0.034 0.000 2.208 278 E HA -0.223 nan 4.350 nan 0.000 0.193 278 E C 2.159 178.710 176.600 -0.081 0.000 0.988 278 E CA 2.131 58.513 56.400 -0.031 0.000 0.828 278 E CB -0.427 29.314 29.700 0.067 0.000 0.763 278 E HN -0.721 7.627 8.360 -0.020 0.000 0.478 279 A N 0.558 123.306 122.820 -0.119 0.000 1.908 279 A HA -0.326 nan 4.320 nan 0.000 0.218 279 A C 2.454 179.981 177.584 -0.094 0.000 1.181 279 A CA 3.231 55.165 52.037 -0.172 0.000 0.627 279 A CB -0.982 17.820 19.000 -0.331 0.000 0.818 279 A HN 0.383 8.465 8.150 -0.113 0.000 0.445 280 S N -1.097 114.501 115.700 -0.171 0.000 2.368 280 S HA -0.264 nan 4.470 nan 0.000 0.224 280 S C 2.195 176.607 174.600 -0.314 0.000 1.029 280 S CA 3.883 61.882 58.200 -0.336 0.000 0.988 280 S CB -0.294 62.493 63.200 -0.689 0.000 0.838 280 S HN -0.523 7.682 8.310 -0.185 -0.006 0.462 281 I N 2.788 123.229 120.570 -0.215 0.000 2.179 281 I HA -0.557 nan 4.170 nan 0.000 0.242 281 I C 1.676 177.708 176.117 -0.141 0.000 1.088 281 I CA 4.177 65.391 61.300 -0.144 0.000 1.357 281 I CB -0.463 37.346 38.000 -0.318 0.000 1.051 281 I HN -0.410 7.599 8.210 -0.198 0.082 0.409 282 N N -0.079 118.556 118.700 -0.109 0.000 2.084 282 N HA -0.291 nan 4.740 nan 0.000 0.190 282 N C 2.366 177.817 175.510 -0.098 0.000 1.030 282 N CA 3.500 56.517 53.050 -0.053 0.000 0.849 282 N CB -0.170 38.297 38.487 -0.033 0.000 1.012 282 N HN 0.178 8.389 8.380 -0.108 0.105 0.423 283 L N 0.466 121.627 121.223 -0.103 0.000 2.042 283 L HA -0.341 nan 4.340 nan 0.000 0.210 283 L C 1.463 178.305 176.870 -0.047 0.000 1.076 283 L CA 3.234 58.014 54.840 -0.100 0.000 0.749 283 L CB -0.261 41.803 42.059 0.009 0.000 0.893 283 L HN -0.341 7.841 8.230 -0.080 0.000 0.432 284 N N -0.990 117.691 118.700 -0.032 0.000 2.043 284 N HA -0.356 nan 4.740 nan 0.000 0.193 284 N C 2.544 178.072 175.510 0.030 0.000 1.037 284 N CA 2.982 56.050 53.050 0.029 0.000 0.851 284 N CB -0.228 38.322 38.487 0.105 0.000 1.027 284 N HN -0.027 8.308 8.380 -0.066 0.006 0.422 285 A N 0.386 123.212 122.820 0.011 0.000 1.883 285 A HA -0.259 nan 4.320 nan 0.000 0.217 285 A C 2.591 180.188 177.584 0.020 0.000 1.186 285 A CA 2.843 54.893 52.037 0.023 0.000 0.624 285 A CB -0.636 18.385 19.000 0.035 0.000 0.822 285 A HN -0.000 8.076 8.150 -0.010 0.068 0.444 286 I N -2.711 117.851 120.570 -0.012 0.000 2.248 286 I HA -0.545 nan 4.170 nan 0.000 0.248 286 I C 2.061 178.210 176.117 0.053 0.000 1.107 286 I CA 4.024 65.322 61.300 -0.004 0.000 1.373 286 I CB -0.649 37.286 38.000 -0.109 0.000 1.055 286 I HN 0.376 8.559 8.210 -0.045 0.000 0.418 287 N N -1.543 117.188 118.700 0.053 0.000 2.494 287 N HA -0.121 nan 4.740 nan 0.000 0.182 287 N C 0.787 176.332 175.510 0.058 0.000 1.076 287 N CA 2.066 55.159 53.050 0.072 0.000 0.908 287 N CB -0.048 38.481 38.487 0.071 0.000 0.967 287 N HN -0.488 7.788 8.380 0.034 0.124 0.449 288 K N -3.002 117.428 120.400 0.049 0.000 2.387 288 K HA 0.084 nan 4.320 nan 0.000 0.198 288 K C -0.549 176.076 176.600 0.042 0.000 1.022 288 K CA -1.349 54.964 56.287 0.042 0.000 1.128 288 K CB -0.840 31.683 32.500 0.038 0.000 0.853 288 K HN -0.265 7.817 8.250 0.046 0.196 0.523 289 C N 4.157 123.487 119.300 0.051 0.000 2.540 289 C HA 0.333 nan 4.460 nan 0.000 0.377 289 C C -0.499 174.517 174.990 0.044 0.000 1.274 289 C CA -1.870 57.179 59.018 0.052 0.000 1.718 289 C CB -0.891 26.890 27.740 0.069 0.000 2.391 289 C HN -0.519 7.669 8.230 0.059 0.078 0.565 290 P HA -0.187 nan 4.420 nan 0.000 0.221 290 P C -1.043 176.266 177.300 0.016 0.000 1.141 290 P CA 1.295 64.409 63.100 0.022 0.000 0.794 290 P CB 0.014 31.726 31.700 0.020 0.000 0.764 291 L N -2.439 118.799 121.223 0.026 0.000 2.464 291 L HA -0.077 nan 4.340 nan 0.000 0.264 291 L C -0.377 176.491 176.870 -0.004 0.000 1.199 291 L CA -0.711 54.139 54.840 0.017 0.000 0.818 291 L CB 0.416 42.498 42.059 0.038 0.000 1.102 291 L HN -0.567 7.616 8.230 0.038 0.069 0.473 292 L N 1.375 122.573 121.223 -0.041 0.000 2.477 292 L HA -0.058 nan 4.340 nan 0.000 0.272 292 L C -0.783 175.982 176.870 -0.174 0.000 1.157 292 L CA 0.661 55.440 54.840 -0.103 0.000 0.889 292 L CB 0.054 42.035 42.059 -0.130 0.000 1.158 292 L HN 0.129 8.337 8.230 -0.035 0.000 0.473 293 K N 8.491 128.777 120.400 -0.190 0.000 2.484 293 K HA 0.352 nan 4.320 nan 0.000 0.226 293 K C -1.730 174.595 176.600 -0.459 0.000 1.031 293 K CA -2.461 53.661 56.287 -0.274 0.000 1.026 293 K CB -0.525 32.021 32.500 0.077 0.000 1.412 293 K HN 0.146 8.319 8.250 -0.129 0.000 0.492 294 P HA -0.019 nan 4.420 nan 0.000 0.242 294 P C -1.426 175.527 177.300 -0.578 0.000 1.197 294 P CA 0.437 63.071 63.100 -0.778 0.000 0.765 294 P CB 0.378 31.553 31.700 -0.876 0.000 0.936 295 W N -4.573 116.704 121.300 -0.039 0.000 2.998 295 W HA 0.114 nan 4.660 nan 0.000 0.335 295 W C -1.330 175.163 176.519 -0.044 0.000 1.110 295 W CA -2.466 54.843 57.345 -0.061 0.000 1.230 295 W CB 1.462 30.870 29.460 -0.087 0.000 1.405 295 W HN -0.769 7.159 8.180 -0.302 0.071 0.493 296 A N 3.098 126.043 122.820 0.208 0.000 2.580 296 A HA -0.056 nan 4.320 nan 0.000 0.244 296 A C -1.694 175.968 177.584 0.130 0.000 1.045 296 A CA 1.048 53.156 52.037 0.119 0.000 0.761 296 A CB 0.144 19.154 19.000 0.017 0.000 0.962 296 A HN 0.814 9.051 8.150 0.145 0.000 0.512 297 L N 4.285 125.613 121.223 0.175 0.000 2.276 297 L HA 0.595 nan 4.340 nan 0.000 0.286 297 L C -0.614 176.377 176.870 0.202 0.000 1.024 297 L CA -0.976 54.016 54.840 0.253 0.000 0.826 297 L CB -0.013 42.270 42.059 0.373 0.000 1.211 297 L HN 0.339 8.669 8.230 0.167 0.000 0.422 298 T N 3.587 118.239 114.554 0.163 0.000 2.626 298 T HA 0.498 nan 4.350 nan 0.000 0.279 298 T C -2.411 172.348 174.700 0.098 0.000 0.983 298 T CA -2.074 60.066 62.100 0.065 0.000 1.059 298 T CB 3.499 72.271 68.868 -0.161 0.000 1.396 298 T HN 0.614 8.937 8.240 0.138 0.000 0.519 299 F N -3.967 115.847 119.950 -0.227 0.000 2.541 299 F HA 1.027 nan 4.527 nan 0.000 0.331 299 F C -1.504 174.088 175.800 -0.346 0.000 1.057 299 F CA -3.217 54.452 58.000 -0.552 0.000 0.975 299 F CB 2.774 40.891 39.000 -1.473 0.000 1.246 299 F HN -0.001 7.967 8.300 -0.554 0.000 0.484 300 S N -0.222 115.482 115.700 0.007 0.000 2.386 300 S HA 0.304 nan 4.470 nan 0.000 0.152 300 S C -1.939 172.966 174.600 0.509 0.000 1.511 300 S CA -0.007 58.289 58.200 0.159 0.000 1.246 300 S CB 0.229 63.496 63.200 0.112 0.000 1.338 300 S HN 0.376 8.763 8.310 0.129 0.000 0.409 301 Y N 2.406 122.895 120.300 0.315 0.000 2.377 301 Y HA 0.178 nan 4.550 nan 0.000 0.339 301 Y C -0.832 175.154 175.900 0.143 0.000 1.011 301 Y CA -2.124 56.091 58.100 0.191 0.000 1.093 301 Y CB 3.104 41.637 38.460 0.122 0.000 1.201 301 Y HN -0.073 8.509 8.280 0.502 0.000 0.455 302 G N 1.038 109.982 108.800 0.241 0.000 2.598 302 G HA2 0.220 nan 3.960 nan 0.000 0.225 302 G HA3 0.220 nan 3.960 nan 0.000 0.225 302 G C 0.916 175.885 174.900 0.116 0.000 1.631 302 G CA 0.568 45.755 45.100 0.145 0.000 0.821 302 G HN 0.275 8.688 8.290 0.205 0.000 0.610 303 R N 2.117 122.662 120.500 0.076 0.000 2.105 303 R HA -0.366 nan 4.340 nan 0.000 0.239 303 R C 1.773 178.102 176.300 0.048 0.000 1.135 303 R CA 3.202 59.336 56.100 0.057 0.000 0.967 303 R CB -0.667 29.649 30.300 0.027 0.000 0.861 303 R HN 0.420 8.728 8.270 0.063 0.000 0.442 304 A N -1.725 121.109 122.820 0.023 0.000 2.272 304 A HA -0.087 nan 4.320 nan 0.000 0.213 304 A C 0.452 178.072 177.584 0.060 0.000 1.183 304 A CA 1.913 53.946 52.037 -0.007 0.000 0.719 304 A CB -1.125 17.785 19.000 -0.150 0.000 0.771 304 A HN 0.222 8.369 8.150 0.012 0.010 0.484 305 L N -6.363 114.926 121.223 0.111 0.000 2.806 305 L HA 0.061 nan 4.340 nan 0.000 0.242 305 L C 1.453 178.424 176.870 0.169 0.000 1.068 305 L CA 1.197 56.125 54.840 0.147 0.000 0.923 305 L CB 0.987 43.193 42.059 0.246 0.000 1.364 305 L HN -0.296 7.814 8.230 0.120 0.192 0.511 306 Q N -2.052 117.827 119.800 0.131 0.000 2.376 306 Q HA -0.060 nan 4.340 nan 0.000 0.206 306 Q C 1.817 177.896 176.000 0.132 0.000 0.921 306 Q CA 1.666 57.545 55.803 0.127 0.000 0.911 306 Q CB 0.713 29.530 28.738 0.130 0.000 1.032 306 Q HN -0.483 7.778 8.270 0.120 0.081 0.510 307 A N 0.921 123.799 122.820 0.097 0.000 1.873 307 A HA -0.421 nan 4.320 nan 0.000 0.219 307 A C 2.147 179.780 177.584 0.081 0.000 1.269 307 A CA 3.308 55.390 52.037 0.076 0.000 0.671 307 A CB -0.907 18.121 19.000 0.047 0.000 0.842 307 A HN 0.436 8.542 8.150 0.086 0.096 0.460 308 S N -0.672 115.073 115.700 0.075 0.000 2.402 308 S HA -0.316 nan 4.470 nan 0.000 0.229 308 S C 1.776 176.435 174.600 0.099 0.000 1.021 308 S CA 2.781 61.025 58.200 0.074 0.000 0.974 308 S CB -0.167 63.068 63.200 0.059 0.000 0.800 308 S HN -0.487 8.137 8.310 0.067 -0.274 0.484 309 A N 1.169 124.058 122.820 0.116 0.000 2.019 309 A HA -0.182 nan 4.320 nan 0.000 0.219 309 A C 1.413 179.113 177.584 0.193 0.000 1.164 309 A CA 2.417 54.535 52.037 0.135 0.000 0.644 309 A CB -0.523 18.550 19.000 0.121 0.000 0.805 309 A HN -0.175 8.021 8.150 0.113 0.022 0.449 310 L N -2.105 119.237 121.223 0.199 0.000 2.044 310 L HA -0.212 nan 4.340 nan 0.000 0.205 310 L C 1.713 178.694 176.870 0.186 0.000 1.075 310 L CA 3.015 57.985 54.840 0.217 0.000 0.747 310 L CB -0.058 42.079 42.059 0.131 0.000 0.903 310 L HN -0.201 8.102 8.230 0.165 0.026 0.435 311 K N -1.444 119.031 120.400 0.124 0.000 2.032 311 K HA -0.365 nan 4.320 nan 0.000 0.209 311 K C 2.120 178.790 176.600 0.116 0.000 1.048 311 K CA 2.235 58.575 56.287 0.088 0.000 0.927 311 K CB -0.925 31.614 32.500 0.065 0.000 0.712 311 K HN -0.783 7.535 8.250 0.112 0.000 0.441 312 A N -3.365 119.541 122.820 0.143 0.000 2.263 312 A HA -0.152 nan 4.320 nan 0.000 0.205 312 A C -0.630 177.108 177.584 0.257 0.000 1.226 312 A CA 1.030 53.161 52.037 0.157 0.000 0.810 312 A CB -0.527 18.550 19.000 0.129 0.000 0.784 312 A HN -0.291 7.939 8.150 0.134 0.000 0.486 313 W N -1.095 120.228 121.300 0.039 0.000 3.797 313 W HA -0.007 nan 4.660 nan 0.000 0.217 313 W C 0.329 176.873 176.519 0.042 0.000 0.934 313 W CA -0.280 57.095 57.345 0.051 0.000 2.464 313 W CB 2.239 31.727 29.460 0.045 0.000 1.165 313 W HN -0.366 7.773 8.180 0.292 0.215 0.677 314 G N -0.397 108.295 108.800 -0.180 0.000 2.390 314 G HA2 -0.468 nan 3.960 nan 0.000 0.299 314 G HA3 -0.468 nan 3.960 nan 0.000 0.299 314 G C -0.450 174.080 174.900 -0.617 0.000 1.002 314 G CA 1.091 45.970 45.100 -0.368 0.000 0.979 314 G HN -0.327 7.979 8.290 0.028 0.000 0.513 315 G N -3.326 104.655 108.800 -1.365 0.000 2.295 315 G HA2 -0.493 nan 3.960 nan 0.000 0.287 315 G HA3 -0.493 nan 3.960 nan 0.000 0.287 315 G C -0.984 173.695 174.900 -0.368 0.000 1.055 315 G CA 0.367 44.861 45.100 -1.011 0.000 0.922 315 G HN 0.356 7.241 8.290 -2.315 0.016 0.503 316 K N -1.472 118.839 120.400 -0.149 0.000 2.371 316 K HA 0.228 nan 4.320 nan 0.000 0.251 316 K C -0.336 176.478 176.600 0.356 0.000 0.934 316 K CA -1.899 54.458 56.287 0.116 0.000 0.798 316 K CB 2.122 34.670 32.500 0.080 0.000 1.204 316 K HN -0.826 7.240 8.250 -0.307 0.000 0.427 317 K N 2.175 122.705 120.400 0.215 0.000 2.314 317 K HA -0.162 nan 4.320 nan 0.000 0.198 317 K C 1.753 178.470 176.600 0.196 0.000 1.045 317 K CA 2.444 58.863 56.287 0.220 0.000 0.988 317 K CB 0.155 32.694 32.500 0.065 0.000 0.783 317 K HN 0.601 8.921 8.250 0.118 0.000 0.484 318 E N -1.907 118.383 120.200 0.150 0.000 2.418 318 E HA -0.162 nan 4.350 nan 0.000 0.197 318 E C -0.397 176.285 176.600 0.136 0.000 1.026 318 E CA 1.501 57.972 56.400 0.118 0.000 0.862 318 E CB -0.141 29.608 29.700 0.082 0.000 0.799 318 E HN 0.114 8.554 8.360 0.133 0.000 0.518 319 N N -1.555 117.260 118.700 0.191 0.000 2.635 319 N HA 0.096 nan 4.740 nan 0.000 0.307 319 N C -0.056 175.566 175.510 0.187 0.000 1.433 319 N CA -0.999 52.160 53.050 0.183 0.000 0.973 319 N CB -0.083 38.521 38.487 0.195 0.000 1.304 319 N HN -0.498 7.975 8.380 0.242 0.053 0.507 320 L N 2.276 123.598 121.223 0.164 0.000 1.961 320 L HA -0.280 nan 4.340 nan 0.000 0.209 320 L C 0.597 177.499 176.870 0.054 0.000 1.075 320 L CA 3.851 58.761 54.840 0.117 0.000 0.749 320 L CB -0.181 41.960 42.059 0.137 0.000 0.890 320 L HN -0.569 7.688 8.230 0.162 0.070 0.433 321 K N -2.029 118.407 120.400 0.060 0.000 2.152 321 K HA -0.375 nan 4.320 nan 0.000 0.206 321 K C 2.043 178.669 176.600 0.044 0.000 1.048 321 K CA 2.707 59.020 56.287 0.043 0.000 0.933 321 K CB -1.232 31.295 32.500 0.045 0.000 0.721 321 K HN 0.281 8.575 8.250 0.073 0.000 0.447 322 A N -1.359 121.497 122.820 0.061 0.000 1.837 322 A HA -0.183 nan 4.320 nan 0.000 0.216 322 A C 2.023 179.645 177.584 0.063 0.000 1.210 322 A CA 2.640 54.717 52.037 0.067 0.000 0.632 322 A CB -0.764 18.290 19.000 0.090 0.000 0.843 322 A HN -0.221 7.948 8.150 0.074 0.025 0.448 323 A N -2.729 120.132 122.820 0.069 0.000 1.917 323 A HA -0.417 nan 4.320 nan 0.000 0.219 323 A C 2.480 180.082 177.584 0.030 0.000 1.182 323 A CA 2.795 54.865 52.037 0.055 0.000 0.633 323 A CB -0.849 18.167 19.000 0.026 0.000 0.819 323 A HN -0.629 7.572 8.150 0.085 0.000 0.448 324 Q N -1.629 118.173 119.800 0.002 0.000 2.030 324 Q HA -0.448 nan 4.340 nan 0.000 0.204 324 Q C 2.455 178.497 176.000 0.069 0.000 0.986 324 Q CA 3.086 58.904 55.803 0.025 0.000 0.843 324 Q CB -0.143 28.596 28.738 0.002 0.000 0.904 324 Q HN -0.583 7.672 8.270 -0.010 0.009 0.420 325 E N -2.004 118.223 120.200 0.045 0.000 2.273 325 E HA -0.317 nan 4.350 nan 0.000 0.198 325 E C 2.481 179.101 176.600 0.033 0.000 1.002 325 E CA 2.630 59.050 56.400 0.033 0.000 0.828 325 E CB -0.550 29.167 29.700 0.027 0.000 0.747 325 E HN -0.385 7.998 8.360 0.038 0.000 0.491 326 E N -1.124 119.110 120.200 0.057 0.000 2.112 326 E HA -0.210 nan 4.350 nan 0.000 0.190 326 E C 2.049 178.693 176.600 0.073 0.000 0.979 326 E CA 2.072 58.508 56.400 0.059 0.000 0.814 326 E CB -0.371 29.374 29.700 0.075 0.000 0.762 326 E HN -0.326 7.913 8.360 0.064 0.159 0.460 327 Y N 1.660 121.942 120.300 -0.029 0.000 2.184 327 Y HA -0.361 nan 4.550 nan 0.000 0.290 327 Y C 1.781 177.659 175.900 -0.037 0.000 1.129 327 Y CA 3.615 61.689 58.100 -0.043 0.000 1.144 327 Y CB 0.280 38.694 38.460 -0.077 0.000 0.995 327 Y HN -0.353 7.934 8.280 0.183 0.102 0.513 328 V N -0.828 118.961 119.914 -0.210 0.000 2.282 328 V HA -0.600 nan 4.120 nan 0.000 0.249 328 V C 2.089 178.053 176.094 -0.216 0.000 1.057 328 V CA 4.558 66.693 62.300 -0.276 0.000 1.032 328 V CB -1.350 30.416 31.823 -0.096 0.000 0.645 328 V HN 0.133 8.334 8.190 0.017 0.000 0.447 329 K N -1.094 119.238 120.400 -0.113 0.000 2.020 329 K HA -0.323 nan 4.320 nan 0.000 0.212 329 K C 2.201 178.739 176.600 -0.104 0.000 1.050 329 K CA 2.819 59.061 56.287 -0.074 0.000 0.929 329 K CB -0.745 31.740 32.500 -0.025 0.000 0.714 329 K HN -0.361 7.847 8.250 -0.069 0.000 0.443 330 R N -1.875 118.551 120.500 -0.123 0.000 2.081 330 R HA -0.267 nan 4.340 nan 0.000 0.235 330 R C 2.533 178.687 176.300 -0.244 0.000 1.131 330 R CA 2.126 58.140 56.100 -0.143 0.000 0.960 330 R CB -0.718 29.537 30.300 -0.074 0.000 0.856 330 R HN -0.316 7.895 8.270 -0.099 0.000 0.436 331 A N -0.177 122.438 122.820 -0.343 0.000 1.858 331 A HA -0.208 nan 4.320 nan 0.000 0.216 331 A C 2.328 179.784 177.584 -0.213 0.000 1.190 331 A CA 2.907 54.740 52.037 -0.339 0.000 0.617 331 A CB -0.797 17.912 19.000 -0.486 0.000 0.827 331 A HN 0.069 7.963 8.150 -0.427 0.000 0.443 332 L N -1.665 119.458 121.223 -0.167 0.000 1.971 332 L HA -0.514 nan 4.340 nan 0.000 0.215 332 L C 2.180 179.015 176.870 -0.058 0.000 1.072 332 L CA 3.051 57.841 54.840 -0.083 0.000 0.758 332 L CB -0.422 41.601 42.059 -0.059 0.000 0.889 332 L HN -0.014 8.095 8.230 -0.201 0.000 0.433 333 A N -2.955 119.829 122.820 -0.060 0.000 1.986 333 A HA -0.405 nan 4.320 nan 0.000 0.220 333 A C 2.022 179.497 177.584 -0.182 0.000 1.171 333 A CA 3.378 55.409 52.037 -0.010 0.000 0.640 333 A CB -0.920 18.097 19.000 0.028 0.000 0.811 333 A HN -0.276 7.829 8.150 -0.074 0.000 0.451 334 N N -3.411 115.114 118.700 -0.292 0.000 2.416 334 N HA -0.094 nan 4.740 nan 0.000 0.177 334 N C 2.161 177.596 175.510 -0.125 0.000 1.036 334 N CA 2.686 55.487 53.050 -0.415 0.000 0.901 334 N CB -0.428 37.495 38.487 -0.941 0.000 0.976 334 N HN -0.532 7.559 8.380 -0.286 0.117 0.444 335 S N 2.320 118.016 115.700 -0.007 0.000 2.368 335 S HA -0.247 nan 4.470 nan 0.000 0.224 335 S C 1.774 176.418 174.600 0.073 0.000 1.029 335 S CA 3.789 62.053 58.200 0.107 0.000 0.988 335 S CB -0.127 63.113 63.200 0.066 0.000 0.838 335 S HN -0.232 7.926 8.310 -0.063 0.115 0.462 336 L N -0.438 120.818 121.223 0.056 0.000 2.083 336 L HA -0.297 nan 4.340 nan 0.000 0.209 336 L C 1.390 178.323 176.870 0.106 0.000 1.083 336 L CA 3.061 57.956 54.840 0.092 0.000 0.752 336 L CB -0.279 41.866 42.059 0.144 0.000 0.899 336 L HN -0.191 8.060 8.230 0.036 0.000 0.433 337 A N -1.040 121.810 122.820 0.050 0.000 1.930 337 A HA -0.223 nan 4.320 nan 0.000 0.217 337 A C 2.322 179.936 177.584 0.050 0.000 1.175 337 A CA 2.974 55.021 52.037 0.017 0.000 0.627 337 A CB -1.034 17.848 19.000 -0.196 0.000 0.815 337 A HN -0.150 7.906 8.150 -0.021 0.082 0.443 338 C N -5.050 114.297 119.300 0.079 0.000 2.491 338 C HA -0.050 nan 4.460 nan 0.000 0.277 338 C C 0.839 175.878 174.990 0.082 0.000 1.455 338 C CA 0.539 59.622 59.018 0.108 0.000 1.758 338 C CB -1.658 26.175 27.740 0.154 0.000 1.745 338 C HN -0.230 7.865 8.230 0.077 0.182 0.558 339 Q N -0.159 119.685 119.800 0.073 0.000 2.217 339 Q HA 0.053 nan 4.340 nan 0.000 0.217 339 Q C 0.858 176.894 176.000 0.060 0.000 0.844 339 Q CA -1.013 54.826 55.803 0.060 0.000 0.957 339 Q CB 1.064 29.834 28.738 0.053 0.000 1.127 339 Q HN -0.601 7.513 8.270 0.076 0.202 0.503 340 G N -0.041 108.801 108.800 0.070 0.000 2.153 340 G HA2 -0.448 nan 3.960 nan 0.000 0.252 340 G HA3 -0.448 nan 3.960 nan 0.000 0.252 340 G C -0.348 174.593 174.900 0.068 0.000 0.994 340 G CA 0.902 46.042 45.100 0.068 0.000 0.698 340 G HN 0.073 8.217 8.290 0.075 0.191 0.521 341 K N -2.037 118.411 120.400 0.080 0.000 2.399 341 K HA 0.107 nan 4.320 nan 0.000 0.204 341 K C -0.591 176.059 176.600 0.084 0.000 1.023 341 K CA -1.415 54.910 56.287 0.063 0.000 1.127 341 K CB 0.417 32.946 32.500 0.048 0.000 0.856 341 K HN 0.037 8.296 8.250 0.090 0.045 0.514 342 Y N 0.767 121.057 120.300 -0.016 0.000 2.304 342 Y HA -0.032 nan 4.550 nan 0.000 0.328 342 Y C -0.423 175.458 175.900 -0.031 0.000 1.123 342 Y CA 0.238 58.322 58.100 -0.028 0.000 1.218 342 Y CB 1.137 39.575 38.460 -0.037 0.000 1.207 342 Y HN -0.639 7.920 8.280 0.202 -0.157 0.495 343 T N 8.719 122.851 114.554 -0.704 0.000 2.658 343 T HA -0.176 nan 4.350 nan 0.000 0.252 343 T C -1.907 172.591 174.700 -0.336 0.000 1.021 343 T CA -0.158 61.627 62.100 -0.526 0.000 1.169 343 T CB -0.984 67.505 68.868 -0.631 0.000 1.015 343 T HN 0.187 7.927 8.240 -0.832 0.000 0.489 344 P HA -0.054 nan 4.420 nan 0.000 0.276 344 P C -0.964 176.301 177.300 -0.058 0.000 1.264 344 P CA -0.595 62.464 63.100 -0.068 0.000 0.815 344 P CB 0.690 32.362 31.700 -0.046 0.000 1.121 345 S N -0.764 114.927 115.700 -0.016 0.000 2.549 345 S HA -0.114 nan 4.470 nan 0.000 0.279 345 S C 0.438 175.045 174.600 0.012 0.000 1.321 345 S CA 1.202 59.407 58.200 0.010 0.000 1.054 345 S CB 0.110 63.350 63.200 0.066 0.000 0.899 345 S HN 0.009 8.318 8.310 -0.003 0.000 0.497 346 G N 5.831 114.645 108.800 0.024 0.000 4.386 346 G HA2 -0.091 nan 3.960 nan 0.000 0.183 346 G HA3 -0.091 nan 3.960 nan 0.000 0.183 346 G C -0.287 174.630 174.900 0.028 0.000 1.226 346 G CA 0.728 45.840 45.100 0.018 0.000 0.926 346 G HN 0.229 8.541 8.290 0.037 0.000 0.306 347 Q N 3.201 123.010 119.800 0.015 0.000 3.025 347 Q HA -0.049 nan 4.340 nan 0.000 0.251 347 Q C -0.562 175.475 176.000 0.061 0.000 1.348 347 Q CA 0.143 55.961 55.803 0.026 0.000 0.906 347 Q CB -1.923 26.821 28.738 0.011 0.000 1.764 347 Q HN 0.237 8.502 8.270 -0.008 0.000 0.535 348 A N -0.568 122.299 122.820 0.079 0.000 2.358 348 A HA 0.270 nan 4.320 nan 0.000 0.223 348 A C 0.073 177.698 177.584 0.068 0.000 1.218 348 A CA 0.358 52.464 52.037 0.115 0.000 0.942 348 A CB 1.246 20.346 19.000 0.167 0.000 1.005 348 A HN 0.235 8.383 8.150 0.062 0.039 0.514 349 G N -2.038 106.790 108.800 0.046 0.000 3.441 349 G HA2 0.009 nan 3.960 nan 0.000 0.263 349 G HA3 0.009 nan 3.960 nan 0.000 0.263 349 G C -0.068 174.846 174.900 0.024 0.000 1.014 349 G CA 0.123 45.241 45.100 0.031 0.000 0.833 349 G HN -0.035 8.281 8.290 0.043 0.000 0.514 350 A N 0.024 122.859 122.820 0.025 0.000 2.021 350 A HA -0.121 nan 4.320 nan 0.000 0.216 350 A C 0.145 177.740 177.584 0.019 0.000 1.163 350 A CA 1.817 53.865 52.037 0.019 0.000 0.676 350 A CB 0.131 19.141 19.000 0.016 0.000 0.818 350 A HN 0.208 8.375 8.150 0.030 0.000 0.453 351 A N -4.129 118.706 122.820 0.024 0.000 2.140 351 A HA -0.010 nan 4.320 nan 0.000 0.199 351 A C -0.819 176.780 177.584 0.026 0.000 1.416 351 A CA -0.201 51.850 52.037 0.023 0.000 1.018 351 A CB 0.230 19.245 19.000 0.024 0.000 1.117 351 A HN -0.157 8.011 8.150 0.029 0.000 0.480 352 A N -0.517 122.322 122.820 0.032 0.000 5.949 352 A HA -0.310 nan 4.320 nan 0.000 0.275 352 A C -0.770 176.833 177.584 0.032 0.000 2.055 352 A CA 0.587 52.644 52.037 0.033 0.000 0.713 352 A CB -0.703 18.312 19.000 0.025 0.000 1.146 352 A HN 0.076 8.247 8.150 0.036 0.000 0.370 353 S N -1.696 114.021 115.700 0.028 0.000 2.694 353 S HA 0.125 nan 4.470 nan 0.000 0.273 353 S C -1.818 172.798 174.600 0.026 0.000 1.180 353 S CA -0.424 57.792 58.200 0.026 0.000 0.864 353 S CB 1.160 64.376 63.200 0.026 0.000 1.198 353 S HN -0.235 8.090 8.310 0.026 0.000 0.499 354 E N 1.407 121.625 120.200 0.029 0.000 2.161 354 E HA -0.000 nan 4.350 nan 0.000 0.263 354 E C -0.949 175.684 176.600 0.055 0.000 1.185 354 E CA 0.885 57.311 56.400 0.044 0.000 0.938 354 E CB 0.096 29.834 29.700 0.065 0.000 1.023 354 E HN 0.073 8.449 8.360 0.026 0.000 0.433 355 S N 6.212 121.952 115.700 0.067 0.000 2.598 355 S HA 0.134 nan 4.470 nan 0.000 0.209 355 S C 0.011 174.662 174.600 0.084 0.000 1.029 355 S CA -0.309 57.957 58.200 0.111 0.000 1.172 355 S CB 0.409 63.648 63.200 0.063 0.000 1.427 355 S HN 0.455 8.791 8.310 0.043 0.000 0.418 356 L N 2.342 123.553 121.223 -0.020 0.000 2.275 356 L HA -0.180 nan 4.340 nan 0.000 0.215 356 L C -0.142 176.614 176.870 -0.190 0.000 1.119 356 L CA 2.197 56.945 54.840 -0.153 0.000 0.790 356 L CB -0.044 41.816 42.059 -0.332 0.000 0.919 356 L HN -0.174 8.049 8.230 -0.011 0.000 0.443 357 F N -4.820 115.146 119.950 0.027 0.000 2.771 357 F HA -0.155 nan 4.527 nan 0.000 0.299 357 F C 0.446 176.239 175.800 -0.011 0.000 1.177 357 F CA 2.135 60.134 58.000 -0.001 0.000 1.450 357 F CB -0.661 38.331 39.000 -0.014 0.000 1.114 357 F HN -0.126 8.221 8.300 0.150 0.044 0.587 358 I N -4.918 115.739 120.570 0.145 0.000 4.082 358 I HA 0.090 nan 4.170 nan 0.000 0.337 358 I C -0.244 175.929 176.117 0.094 0.000 1.352 358 I CA -0.305 61.058 61.300 0.105 0.000 1.097 358 I CB 0.497 38.538 38.000 0.067 0.000 1.048 358 I HN -0.590 7.518 8.210 0.121 0.175 0.393 359 S N 1.417 117.161 115.700 0.073 0.000 2.713 359 S HA 0.154 nan 4.470 nan 0.000 0.277 359 S C 0.144 174.743 174.600 -0.002 0.000 1.168 359 S CA -0.784 57.420 58.200 0.007 0.000 0.994 359 S CB 1.925 65.128 63.200 0.005 0.000 1.054 359 S HN -0.477 7.713 8.310 0.070 0.162 0.555 360 N N -1.351 117.223 118.700 -0.210 0.000 2.585 360 N HA -0.258 nan 4.740 nan 0.000 0.188 360 N C 0.840 176.284 175.510 -0.110 0.000 1.102 360 N CA 2.001 54.952 53.050 -0.164 0.000 0.920 360 N CB -1.145 37.172 38.487 -0.283 0.000 0.963 360 N HN 0.568 8.772 8.380 -0.294 0.000 0.447 361 H N -1.072 118.061 119.070 0.105 0.000 2.539 361 H HA 0.074 nan 4.556 nan 0.000 0.267 361 H C -0.108 175.220 175.328 -0.000 0.000 0.982 361 H CA 0.293 56.363 56.048 0.035 0.000 1.146 361 H CB -0.851 28.888 29.762 -0.038 0.000 1.382 361 H HN -0.679 7.283 8.280 -0.366 0.097 0.577 362 A N -0.586 122.271 122.820 0.062 0.000 2.507 362 A HA 0.117 nan 4.320 nan 0.000 0.270 362 A C -1.782 175.455 177.584 -0.578 0.000 1.318 362 A CA 0.031 51.941 52.037 -0.210 0.000 0.924 362 A CB 0.790 19.629 19.000 -0.268 0.000 1.061 362 A HN -0.550 7.624 8.150 0.176 0.082 0.516 363 Y N 0.000 120.308 120.300 0.013 0.000 2.660 363 Y HA 0.000 nan 4.550 nan 0.000 0.201 363 Y CA 0.000 58.104 58.100 0.006 0.000 1.940 363 Y CB 0.000 38.452 38.460 -0.013 0.000 1.050 363 Y HN 0.000 8.292 8.280 0.159 0.084 0.758