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 1wzk_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATNPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.221 176.300 -0.132 0.000 1.140 1 M CA 0.000 55.242 55.300 -0.096 0.000 0.988 1 M CB 0.000 32.539 32.600 -0.102 0.000 1.302 2 L N 3.327 124.473 121.223 -0.128 0.000 2.334 2 L HA 0.394 4.732 4.340 -0.004 0.000 0.286 2 L C 0.378 177.121 176.870 -0.211 0.000 1.108 2 L CA -0.024 54.732 54.840 -0.141 0.000 0.875 2 L CB 0.407 42.406 42.059 -0.100 0.000 1.246 2 L HN 0.902 nan 8.230 nan 0.000 0.439 3 L N 2.242 123.261 121.223 -0.340 0.000 2.191 3 L HA -0.137 4.201 4.340 -0.004 0.000 0.212 3 L C 1.399 178.012 176.870 -0.429 0.000 1.103 3 L CA 0.889 55.333 54.840 -0.659 0.000 0.769 3 L CB -0.223 41.233 42.059 -1.005 0.000 0.908 3 L HN 0.605 nan 8.230 nan 0.000 0.438 4 E N 0.103 120.187 120.200 -0.194 0.000 2.511 4 E HA -0.033 4.315 4.350 -0.004 0.000 0.196 4 E C 1.665 178.281 176.600 0.027 0.000 1.066 4 E CA 0.683 57.060 56.400 -0.038 0.000 0.871 4 E CB 0.059 29.752 29.700 -0.012 0.000 0.863 4 E HN 0.402 nan 8.360 nan 0.000 0.520 5 A N 0.086 122.908 122.820 0.003 0.000 2.390 5 A HA 0.240 4.558 4.320 -0.004 0.000 0.232 5 A C 0.594 178.268 177.584 0.150 0.000 1.233 5 A CA -0.305 51.800 52.037 0.113 0.000 0.907 5 A CB 0.189 19.235 19.000 0.077 0.000 0.967 5 A HN 0.093 nan 8.150 nan 0.000 0.512 6 I N 0.158 120.755 120.570 0.046 0.000 2.395 6 I HA 0.384 4.552 4.170 -0.004 0.000 0.289 6 I C -0.466 175.724 176.117 0.122 0.000 1.023 6 I CA -0.113 61.199 61.300 0.020 0.000 1.350 6 I CB 0.938 38.842 38.000 -0.160 0.000 1.409 6 I HN 0.283 nan 8.210 nan 0.000 0.507 7 F N 5.913 125.848 119.950 -0.027 0.000 2.599 7 F HA 0.633 5.158 4.527 -0.003 0.000 0.311 7 F C -0.707 175.136 175.800 0.072 0.000 1.076 7 F CA -0.422 57.583 58.000 0.007 0.000 0.937 7 F CB 1.699 40.592 39.000 -0.179 0.000 1.282 7 F HN 0.552 nan 8.300 nan 0.000 0.460 8 H N 1.955 120.310 119.070 -1.191 0.000 3.043 8 H HA 0.466 5.020 4.556 -0.004 0.000 0.317 8 H C -2.134 172.497 175.328 -1.162 0.000 1.321 8 H CA -0.488 55.010 56.048 -0.916 0.000 1.243 8 H CB 1.580 31.049 29.762 -0.489 0.000 1.924 8 H HN 0.682 nan 8.280 nan 0.000 0.527 9 E N 2.369 121.629 120.200 -1.567 0.000 2.372 9 E HA 0.611 4.959 4.350 -0.004 0.000 0.279 9 E C -1.239 174.898 176.600 -0.771 0.000 0.946 9 E CA -1.039 54.827 56.400 -0.890 0.000 0.769 9 E CB 2.007 31.494 29.700 -0.355 0.000 1.230 9 E HN 0.649 nan 8.360 nan 0.000 0.442 10 A N 3.206 125.869 122.820 -0.262 0.000 2.916 10 A HA 0.213 4.531 4.320 -0.004 0.000 0.254 10 A C -0.000 177.727 177.584 0.239 0.000 1.544 10 A CA 0.500 52.620 52.037 0.138 0.000 1.224 10 A CB -0.921 18.241 19.000 0.271 0.000 1.012 10 A HN 0.608 nan 8.150 nan 0.000 0.636 11 K N -2.809 117.714 120.400 0.204 0.000 2.889 11 K HA 0.575 4.893 4.320 -0.004 0.000 0.290 11 K C 0.590 177.358 176.600 0.280 0.000 1.035 11 K CA -0.466 55.989 56.287 0.279 0.000 0.776 11 K CB -0.421 32.166 32.500 0.145 0.000 1.457 11 K HN 1.371 nan 8.250 nan 0.000 0.363 12 G N 0.678 109.633 108.800 0.257 0.000 2.611 12 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.301 12 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.301 12 G C 0.578 175.670 174.900 0.321 0.000 1.233 12 G CA 0.610 45.861 45.100 0.252 0.000 0.993 12 G HN 0.790 nan 8.290 nan 0.000 0.553 13 S N -0.204 115.699 115.700 0.340 0.000 2.593 13 S HA 0.249 4.717 4.470 -0.004 0.000 0.217 13 S C 1.429 176.146 174.600 0.195 0.000 0.966 13 S CA 1.355 59.709 58.200 0.255 0.000 0.914 13 S CB 0.021 63.301 63.200 0.132 0.000 0.776 13 S HN 0.484 nan 8.310 nan 0.000 0.523 14 Y N 1.285 121.758 120.300 0.288 0.000 2.481 14 Y HA 0.551 5.099 4.550 -0.004 0.000 0.258 14 Y C 0.855 176.854 175.900 0.164 0.000 1.103 14 Y CA -0.320 57.907 58.100 0.211 0.000 1.287 14 Y CB 0.491 39.010 38.460 0.097 0.000 1.108 14 Y HN 0.203 nan 8.280 nan 0.000 0.529 15 A N 0.210 123.193 122.820 0.271 0.000 2.476 15 A HA 0.670 4.988 4.320 -0.004 0.000 0.280 15 A C -1.810 175.870 177.584 0.162 0.000 1.081 15 A CA -0.527 51.590 52.037 0.134 0.000 0.753 15 A CB 0.051 19.239 19.000 0.313 0.000 1.248 15 A HN 0.245 nan 8.150 nan 0.000 0.424 16 Y N 0.877 121.124 120.300 -0.089 0.000 2.558 16 Y HA 0.813 5.361 4.550 -0.004 0.000 0.333 16 Y C -3.349 172.431 175.900 -0.200 0.000 1.125 16 Y CA -2.654 55.385 58.100 -0.102 0.000 1.039 16 Y CB 1.258 39.753 38.460 0.058 0.000 1.331 16 Y HN 0.392 nan 8.280 nan 0.000 0.456 17 P HA 0.337 nan 4.420 nan 0.000 0.276 17 P C 0.225 177.586 177.300 0.100 0.000 1.244 17 P CA -0.347 62.708 63.100 -0.075 0.000 0.801 17 P CB 2.258 33.922 31.700 -0.059 0.000 1.006 18 I N -1.434 119.145 120.570 0.016 0.000 4.227 18 I HA 0.267 4.435 4.170 -0.004 0.000 0.334 18 I C 0.328 176.461 176.117 0.026 0.000 1.341 18 I CA -0.211 61.122 61.300 0.055 0.000 1.123 18 I CB 0.342 38.349 38.000 0.012 0.000 1.097 18 I HN 0.342 nan 8.210 nan 0.000 0.399 19 S N -0.670 115.032 115.700 0.003 0.000 2.636 19 S HA 0.281 4.749 4.470 -0.004 0.000 0.266 19 S C 0.282 174.876 174.600 -0.011 0.000 1.147 19 S CA -0.499 57.703 58.200 0.003 0.000 0.815 19 S CB 1.611 64.804 63.200 -0.012 0.000 1.119 19 S HN 0.194 nan 8.310 nan 0.000 0.470 20 E N 0.201 120.398 120.200 -0.005 0.000 2.204 20 E HA -0.087 4.261 4.350 -0.004 0.000 0.195 20 E C 1.199 177.759 176.600 -0.067 0.000 0.990 20 E CA 1.703 58.091 56.400 -0.021 0.000 0.821 20 E CB -0.070 29.628 29.700 -0.004 0.000 0.750 20 E HN 0.771 nan 8.360 nan 0.000 0.477 21 T N -2.767 111.751 114.554 -0.061 0.000 3.132 21 T HA 0.222 4.570 4.350 -0.004 0.000 0.274 21 T C 0.111 174.758 174.700 -0.088 0.000 1.011 21 T CA -0.537 61.519 62.100 -0.074 0.000 0.899 21 T CB 0.386 69.225 68.868 -0.047 0.000 1.089 21 T HN -0.075 nan 8.240 nan 0.000 0.543 22 Q N 1.042 120.778 119.800 -0.107 0.000 2.321 22 Q HA 0.658 4.996 4.340 -0.004 0.000 0.270 22 Q C -1.909 173.962 176.000 -0.215 0.000 1.032 22 Q CA -0.941 54.775 55.803 -0.146 0.000 0.784 22 Q CB 2.802 31.474 28.738 -0.110 0.000 1.264 22 Q HN 0.219 nan 8.270 nan 0.000 0.448 23 L N 2.466 123.504 121.223 -0.309 0.000 2.305 23 L HA 0.520 4.858 4.340 -0.004 0.000 0.284 23 L C -0.928 175.666 176.870 -0.460 0.000 1.013 23 L CA -0.392 54.191 54.840 -0.428 0.000 0.819 23 L CB 1.232 42.983 42.059 -0.514 0.000 1.227 23 L HN 0.469 nan 8.230 nan 0.000 0.417 24 R N 3.860 124.041 120.500 -0.531 0.000 2.349 24 R HA 0.736 5.074 4.340 -0.004 0.000 0.299 24 R C -1.357 174.605 176.300 -0.563 0.000 1.027 24 R CA -0.347 55.413 56.100 -0.568 0.000 0.958 24 R CB 1.072 30.894 30.300 -0.796 0.000 1.047 24 R HN 0.517 nan 8.270 nan 0.000 0.468 25 V N 1.052 120.756 119.914 -0.350 0.000 2.789 25 V HA 0.730 4.848 4.120 -0.004 0.000 0.311 25 V C -0.584 175.534 176.094 0.040 0.000 1.073 25 V CA -1.035 61.185 62.300 -0.133 0.000 0.921 25 V CB 2.177 33.871 31.823 -0.214 0.000 1.009 25 V HN 0.770 nan 8.190 nan 0.000 0.426 26 R N 2.593 123.228 120.500 0.224 0.000 2.744 26 R HA 0.840 5.178 4.340 -0.004 0.000 0.279 26 R C -1.544 175.060 176.300 0.507 0.000 0.977 26 R CA -0.720 55.535 56.100 0.257 0.000 0.906 26 R CB 2.609 32.904 30.300 -0.009 0.000 1.197 26 R HN 0.888 nan 8.270 nan 0.000 0.463 27 L N 1.517 122.977 121.223 0.395 0.000 2.431 27 L HA 0.585 4.923 4.340 -0.004 0.000 0.266 27 L C -1.123 175.974 176.870 0.378 0.000 0.978 27 L CA -0.718 54.287 54.840 0.275 0.000 0.822 27 L CB 1.963 43.907 42.059 -0.192 0.000 1.310 27 L HN 0.561 nan 8.230 nan 0.000 0.409 28 R N 3.821 124.511 120.500 0.316 0.000 2.532 28 R HA 0.907 5.245 4.340 -0.004 0.000 0.295 28 R C -1.467 174.921 176.300 0.148 0.000 0.968 28 R CA -0.207 55.967 56.100 0.124 0.000 0.916 28 R CB 1.901 32.205 30.300 0.006 0.000 1.124 28 R HN 0.808 nan 8.270 nan 0.000 0.463 29 A N 3.310 126.245 122.820 0.190 0.000 2.606 29 A HA 0.310 4.627 4.320 -0.004 0.000 0.293 29 A C -1.355 176.369 177.584 0.233 0.000 1.082 29 A CA -0.872 51.297 52.037 0.219 0.000 0.685 29 A CB 1.386 20.507 19.000 0.201 0.000 1.284 29 A HN 0.762 nan 8.150 nan 0.000 0.408 30 K N 1.224 121.679 120.400 0.091 0.000 2.489 30 K HA 0.032 4.350 4.320 -0.004 0.000 0.278 30 K C 0.132 176.694 176.600 -0.064 0.000 1.000 30 K CA 0.108 56.325 56.287 -0.117 0.000 1.012 30 K CB 0.308 32.727 32.500 -0.135 0.000 0.903 30 K HN 0.641 nan 8.250 nan 0.000 0.485 31 K N 2.576 122.894 120.400 -0.136 0.000 2.491 31 K HA -0.093 4.225 4.320 -0.004 0.000 0.279 31 K C 0.702 177.289 176.600 -0.022 0.000 1.026 31 K CA 1.332 57.585 56.287 -0.057 0.000 1.070 31 K CB -0.058 32.391 32.500 -0.084 0.000 0.887 31 K HN 0.875 nan 8.250 nan 0.000 0.481 32 G N 3.751 112.572 108.800 0.034 0.000 2.225 32 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.254 32 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.254 32 G C 0.613 175.536 174.900 0.038 0.000 0.988 32 G CA 0.428 45.551 45.100 0.037 0.000 0.625 32 G HN 0.770 nan 8.290 nan 0.000 0.527 33 D N -0.176 120.244 120.400 0.034 0.000 2.149 33 D HA 0.182 4.820 4.640 -0.004 0.000 0.201 33 D C 1.308 177.619 176.300 0.017 0.000 0.972 33 D CA 1.388 55.393 54.000 0.008 0.000 0.835 33 D CB 0.185 40.976 40.800 -0.015 0.000 0.966 33 D HN 0.404 nan 8.370 nan 0.000 0.476 34 V N 0.908 120.866 119.914 0.073 0.000 2.495 34 V HA 0.198 4.316 4.120 -0.004 0.000 0.298 34 V C 1.184 177.336 176.094 0.097 0.000 1.031 34 V CA -0.506 61.794 62.300 0.000 0.000 0.871 34 V CB 2.105 33.826 31.823 -0.169 0.000 0.988 34 V HN -0.005 nan 8.190 nan 0.000 0.432 35 V N 1.899 121.827 119.914 0.023 0.000 3.379 35 V HA 0.464 4.581 4.120 -0.004 0.000 0.249 35 V C 0.671 176.795 176.094 0.051 0.000 1.184 35 V CA 0.375 62.728 62.300 0.088 0.000 1.106 35 V CB 0.039 31.896 31.823 0.055 0.000 0.826 35 V HN 0.745 nan 8.190 nan 0.000 0.465 36 R N -0.418 120.034 120.500 -0.079 0.000 2.564 36 R HA 0.652 4.989 4.340 -0.004 0.000 0.284 36 R C -2.062 174.099 176.300 -0.231 0.000 1.031 36 R CA -0.124 55.921 56.100 -0.092 0.000 0.904 36 R CB 2.000 32.286 30.300 -0.023 0.000 1.199 36 R HN 0.387 nan 8.270 nan 0.000 0.443 37 C N 3.940 123.094 119.300 -0.244 0.000 2.381 37 C HA 0.550 5.008 4.460 -0.004 0.000 0.328 37 C C -0.747 174.254 174.990 0.018 0.000 1.190 37 C CA -0.271 58.618 59.018 -0.214 0.000 1.369 37 C CB 0.957 28.371 27.740 -0.544 0.000 2.029 37 C HN 1.024 nan 8.230 nan 0.000 0.448 38 E N 3.744 123.995 120.200 0.085 0.000 2.277 38 E HA 0.780 5.128 4.350 -0.004 0.000 0.266 38 E C -1.505 175.180 176.600 0.142 0.000 0.901 38 E CA -0.560 55.913 56.400 0.123 0.000 0.782 38 E CB 2.193 31.965 29.700 0.119 0.000 1.228 38 E HN 0.585 nan 8.360 nan 0.000 0.424 39 V N 4.283 124.250 119.914 0.088 0.000 2.448 39 V HA 0.366 4.484 4.120 -0.004 0.000 0.295 39 V C -0.395 175.740 176.094 0.069 0.000 1.025 39 V CA -0.735 61.555 62.300 -0.017 0.000 0.859 39 V CB 1.296 33.010 31.823 -0.181 0.000 0.988 39 V HN 0.585 nan 8.190 nan 0.000 0.431 40 L N 6.618 127.859 121.223 0.030 0.000 2.287 40 L HA 0.680 5.018 4.340 -0.004 0.000 0.287 40 L C -0.657 176.265 176.870 0.087 0.000 1.022 40 L CA -0.532 54.279 54.840 -0.048 0.000 0.814 40 L CB 1.005 42.997 42.059 -0.112 0.000 1.217 40 L HN 0.827 nan 8.230 nan 0.000 0.420 41 Y N 2.193 122.429 120.300 -0.108 0.000 2.677 41 Y HA 0.965 5.513 4.550 -0.004 0.000 0.334 41 Y C -0.725 175.152 175.900 -0.038 0.000 1.154 41 Y CA -1.062 57.014 58.100 -0.041 0.000 1.070 41 Y CB 1.871 40.307 38.460 -0.039 0.000 1.294 41 Y HN 0.594 nan 8.280 nan 0.000 0.475 42 A N 0.712 123.594 122.820 0.103 0.000 2.540 42 A HA 0.430 4.748 4.320 -0.004 0.000 0.291 42 A C -1.942 175.707 177.584 0.107 0.000 1.083 42 A CA -0.542 51.499 52.037 0.006 0.000 0.650 42 A CB 0.795 19.764 19.000 -0.051 0.000 1.292 42 A HN 0.917 nan 8.150 nan 0.000 0.435 43 D N -0.273 120.174 120.400 0.078 0.000 2.423 43 D HA 0.234 4.872 4.640 -0.004 0.000 0.238 43 D C 1.208 177.565 176.300 0.095 0.000 1.142 43 D CA 0.176 54.243 54.000 0.111 0.000 0.884 43 D CB 0.643 41.512 40.800 0.114 0.000 1.199 43 D HN 0.447 nan 8.370 nan 0.000 0.438 44 R N 1.961 122.520 120.500 0.098 0.000 2.127 44 R HA -0.175 4.163 4.340 -0.004 0.000 0.238 44 R C 0.927 177.122 176.300 -0.175 0.000 1.134 44 R CA 1.193 57.264 56.100 -0.049 0.000 0.975 44 R CB -0.219 30.020 30.300 -0.103 0.000 0.865 44 R HN 0.618 nan 8.270 nan 0.000 0.447 45 Y N -0.034 120.282 120.300 0.027 0.000 2.461 45 Y HA 0.294 4.842 4.550 -0.004 0.000 0.277 45 Y C 0.866 176.769 175.900 0.004 0.000 1.182 45 Y CA -0.498 57.612 58.100 0.016 0.000 1.276 45 Y CB 0.077 38.551 38.460 0.022 0.000 1.087 45 Y HN 0.001 nan 8.280 nan 0.000 0.519 46 A N 0.382 123.262 122.820 0.101 0.000 2.483 46 A HA 0.214 4.532 4.320 -0.004 0.000 0.238 46 A C 0.797 178.395 177.584 0.023 0.000 1.070 46 A CA 0.011 52.080 52.037 0.053 0.000 0.770 46 A CB 0.065 19.078 19.000 0.021 0.000 1.008 46 A HN 0.246 nan 8.150 nan 0.000 0.497 47 S N 2.202 117.912 115.700 0.017 0.000 2.572 47 S HA 0.249 4.717 4.470 -0.004 0.000 0.279 47 S C -1.287 173.303 174.600 -0.016 0.000 1.341 47 S CA -0.841 57.361 58.200 0.003 0.000 1.043 47 S CB 0.308 63.511 63.200 0.004 0.000 0.887 47 S HN 0.492 nan 8.310 nan 0.000 0.516 48 P HA -0.138 nan 4.420 nan 0.000 0.214 48 P C 0.777 178.055 177.300 -0.037 0.000 1.163 48 P CA 1.490 64.568 63.100 -0.038 0.000 0.889 48 P CB -0.088 31.589 31.700 -0.038 0.000 0.790 49 E N -0.256 119.928 120.200 -0.027 0.000 2.533 49 E HA -0.073 4.275 4.350 -0.004 0.000 0.201 49 E C 0.477 177.063 176.600 -0.022 0.000 1.097 49 E CA 0.393 56.779 56.400 -0.024 0.000 0.887 49 E CB -1.021 28.668 29.700 -0.017 0.000 0.855 49 E HN 0.375 nan 8.360 nan 0.000 0.540 50 E N 1.123 121.308 120.200 -0.025 0.000 2.331 50 E HA 0.059 4.407 4.350 -0.004 0.000 0.272 50 E C -0.595 175.984 176.600 -0.035 0.000 1.036 50 E CA -0.571 55.814 56.400 -0.025 0.000 0.864 50 E CB 0.650 30.337 29.700 -0.022 0.000 1.035 50 E HN 0.077 nan 8.360 nan 0.000 0.408 51 E N 2.949 123.131 120.200 -0.030 0.000 2.376 51 E HA 0.070 4.417 4.350 -0.004 0.000 0.266 51 E C -0.820 175.741 176.600 -0.066 0.000 1.009 51 E CA 0.006 56.388 56.400 -0.030 0.000 0.902 51 E CB 0.471 30.166 29.700 -0.008 0.000 0.972 51 E HN 0.355 nan 8.360 nan 0.000 0.439 52 L N 3.205 124.372 121.223 -0.093 0.000 2.350 52 L HA 0.445 4.782 4.340 -0.004 0.000 0.275 52 L C 0.449 177.170 176.870 -0.248 0.000 1.099 52 L CA -0.896 53.831 54.840 -0.190 0.000 0.808 52 L CB 1.191 43.121 42.059 -0.216 0.000 1.149 52 L HN 0.617 nan 8.230 nan 0.000 0.442 53 A N 2.753 125.311 122.820 -0.436 0.000 2.351 53 A HA 0.352 4.669 4.320 -0.004 0.000 0.257 53 A C -0.405 176.913 177.584 -0.443 0.000 1.087 53 A CA -0.263 51.476 52.037 -0.497 0.000 0.798 53 A CB 0.168 18.570 19.000 -0.997 0.000 1.033 53 A HN 0.743 nan 8.150 nan 0.000 0.488 54 H N -0.087 118.888 119.070 -0.159 0.000 2.469 54 H HA 0.608 5.162 4.556 -0.004 0.000 0.342 54 H C -0.438 174.983 175.328 0.155 0.000 1.115 54 H CA -0.045 56.019 56.048 0.025 0.000 1.204 54 H CB 2.008 31.782 29.762 0.019 0.000 1.492 54 H HN 0.814 nan 8.280 nan 0.000 0.499 55 A N 3.749 126.747 122.820 0.295 0.000 2.414 55 A HA 0.277 4.594 4.320 -0.004 0.000 0.286 55 A C -1.214 176.451 177.584 0.136 0.000 1.073 55 A CA -0.627 51.535 52.037 0.208 0.000 0.727 55 A CB 1.097 20.189 19.000 0.154 0.000 1.215 55 A HN 0.460 nan 8.150 nan 0.000 0.430 56 L N 2.747 124.041 121.223 0.118 0.000 2.331 56 L HA 0.667 5.005 4.340 -0.004 0.000 0.278 56 L C 0.460 177.394 176.870 0.107 0.000 1.106 56 L CA 0.194 55.099 54.840 0.109 0.000 0.824 56 L CB 1.121 43.237 42.059 0.096 0.000 1.142 56 L HN 0.831 nan 8.230 nan 0.000 0.443 57 A N 4.687 127.588 122.820 0.135 0.000 2.280 57 A HA 0.680 4.998 4.320 -0.004 0.000 0.320 57 A C 0.379 178.116 177.584 0.255 0.000 1.366 57 A CA -0.046 52.100 52.037 0.182 0.000 0.938 57 A CB -0.104 19.038 19.000 0.237 0.000 1.157 57 A HN 0.901 nan 8.150 nan 0.000 0.536 58 G N 1.208 110.132 108.800 0.206 0.000 2.539 58 G HA2 0.376 4.333 3.960 -0.004 0.000 0.258 58 G HA3 0.376 4.333 3.960 -0.004 0.000 0.258 58 G C 0.137 175.188 174.900 0.252 0.000 1.202 58 G CA -0.642 44.588 45.100 0.218 0.000 0.851 58 G HN 0.816 nan 8.290 nan 0.000 0.556 59 K N 1.116 121.636 120.400 0.201 0.000 2.351 59 K HA 0.291 4.609 4.320 -0.004 0.000 0.287 59 K C 1.285 177.859 176.600 -0.044 0.000 1.068 59 K CA 0.137 56.378 56.287 -0.076 0.000 0.998 59 K CB 0.350 32.791 32.500 -0.099 0.000 0.968 59 K HN 0.399 nan 8.250 nan 0.000 0.464 60 A N 3.900 126.691 122.820 -0.049 0.000 2.066 60 A HA 0.166 4.484 4.320 -0.004 0.000 0.218 60 A C 0.863 178.441 177.584 -0.009 0.000 1.157 60 A CA 1.200 53.233 52.037 -0.007 0.000 0.670 60 A CB -0.124 18.878 19.000 0.003 0.000 0.804 60 A HN 0.895 nan 8.150 nan 0.000 0.453 61 G N -2.916 105.877 108.800 -0.013 0.000 2.320 61 G HA2 0.464 4.422 3.960 -0.004 0.000 0.297 61 G HA3 0.464 4.422 3.960 -0.004 0.000 0.297 61 G C -1.190 173.779 174.900 0.115 0.000 1.344 61 G CA 0.093 45.215 45.100 0.037 0.000 0.851 61 G HN 0.561 nan 8.290 nan 0.000 0.567 62 S N -0.156 115.625 115.700 0.136 0.000 2.564 62 S HA 0.774 5.242 4.470 -0.004 0.000 0.274 62 S C -0.834 173.875 174.600 0.181 0.000 1.124 62 S CA -0.436 57.865 58.200 0.169 0.000 0.869 62 S CB 2.284 65.520 63.200 0.061 0.000 1.105 62 S HN 1.091 nan 8.310 nan 0.000 0.472 63 D N 0.185 120.727 120.400 0.238 0.000 2.720 63 D HA 0.382 5.019 4.640 -0.004 0.000 0.232 63 D C 0.847 177.206 176.300 0.099 0.000 1.173 63 D CA -0.505 53.598 54.000 0.171 0.000 1.082 63 D CB -0.220 40.739 40.800 0.266 0.000 1.235 63 D HN 0.286 nan 8.370 nan 0.000 0.636 64 E N -0.297 119.950 120.200 0.079 0.000 2.070 64 E HA -0.147 4.200 4.350 -0.004 0.000 0.197 64 E C 1.784 178.361 176.600 -0.038 0.000 1.004 64 E CA 1.385 57.797 56.400 0.021 0.000 0.805 64 E CB -0.026 29.686 29.700 0.021 0.000 0.744 64 E HN 0.426 nan 8.360 nan 0.000 0.451 65 R N -1.677 118.777 120.500 -0.077 0.000 2.419 65 R HA 0.211 4.549 4.340 -0.004 0.000 0.235 65 R C 0.023 175.941 176.300 -0.637 0.000 0.899 65 R CA -0.146 55.717 56.100 -0.395 0.000 1.048 65 R CB 0.723 30.649 30.300 -0.624 0.000 1.182 65 R HN -0.042 nan 8.270 nan 0.000 0.544 66 F N 0.050 119.948 119.950 -0.086 0.000 2.593 66 F HA 0.398 4.922 4.527 -0.004 0.000 0.320 66 F C -0.050 175.599 175.800 -0.252 0.000 1.060 66 F CA -1.305 56.568 58.000 -0.211 0.000 0.940 66 F CB 1.289 40.037 39.000 -0.421 0.000 1.268 66 F HN -0.300 nan 8.300 nan 0.000 0.475 67 D N 0.384 120.738 120.400 -0.076 0.000 2.185 67 D HA 0.312 4.949 4.640 -0.004 0.000 0.247 67 D C -1.375 174.680 176.300 -0.408 0.000 1.027 67 D CA -0.168 53.707 54.000 -0.208 0.000 0.861 67 D CB 1.661 42.350 40.800 -0.185 0.000 1.202 67 D HN 0.336 nan 8.370 nan 0.000 0.453 68 Y N 1.045 121.149 120.300 -0.327 0.000 2.331 68 Y HA 0.395 4.943 4.550 -0.004 0.000 0.334 68 Y C -0.336 175.314 175.900 -0.417 0.000 0.960 68 Y CA -0.837 57.145 58.100 -0.195 0.000 1.130 68 Y CB 1.058 39.471 38.460 -0.078 0.000 1.164 68 Y HN 0.155 nan 8.280 nan 0.000 0.458 69 F N 1.551 121.624 119.950 0.204 0.000 2.450 69 F HA 0.538 5.063 4.527 -0.004 0.000 0.332 69 F C 0.034 175.914 175.800 0.133 0.000 1.093 69 F CA -0.951 57.136 58.000 0.145 0.000 1.003 69 F CB 1.813 40.883 39.000 0.117 0.000 1.151 69 F HN 0.374 nan 8.300 nan 0.000 0.474 70 E N 1.454 121.807 120.200 0.256 0.000 2.292 70 E HA 0.792 5.140 4.350 -0.004 0.000 0.272 70 E C -1.705 174.954 176.600 0.099 0.000 0.881 70 E CA -0.767 55.715 56.400 0.136 0.000 0.754 70 E CB 2.037 31.772 29.700 0.059 0.000 1.201 70 E HN 0.774 nan 8.360 nan 0.000 0.425 71 A N 3.159 125.997 122.820 0.029 0.000 2.527 71 A HA 0.724 5.042 4.320 -0.004 0.000 0.293 71 A C -1.972 175.530 177.584 -0.137 0.000 1.117 71 A CA -0.701 51.320 52.037 -0.027 0.000 0.723 71 A CB 1.533 20.523 19.000 -0.016 0.000 1.313 71 A HN 0.449 nan 8.150 nan 0.000 0.411 72 L N 1.183 122.317 121.223 -0.148 0.000 2.343 72 L HA 0.634 4.972 4.340 -0.004 0.000 0.278 72 L C -1.276 175.430 176.870 -0.273 0.000 0.996 72 L CA -0.253 54.464 54.840 -0.204 0.000 0.831 72 L CB 1.065 43.049 42.059 -0.125 0.000 1.232 72 L HN 0.597 nan 8.230 nan 0.000 0.413 73 L N 4.518 125.476 121.223 -0.441 0.000 2.289 73 L HA 0.517 4.855 4.340 -0.004 0.000 0.285 73 L C -0.068 176.592 176.870 -0.351 0.000 1.049 73 L CA -0.758 53.671 54.840 -0.686 0.000 0.804 73 L CB 1.205 42.571 42.059 -1.156 0.000 1.195 73 L HN 0.476 nan 8.230 nan 0.000 0.428 74 E N 2.482 122.630 120.200 -0.086 0.000 2.130 74 E HA 0.226 4.574 4.350 -0.004 0.000 0.284 74 E C -1.021 175.647 176.600 0.115 0.000 1.018 74 E CA -0.232 56.189 56.400 0.036 0.000 0.817 74 E CB 1.567 31.326 29.700 0.099 0.000 1.078 74 E HN 0.527 nan 8.360 nan 0.000 0.396 75 C N 2.864 122.172 119.300 0.012 0.000 2.816 75 C HA 0.117 4.575 4.460 -0.004 0.000 0.255 75 C C 1.848 176.832 174.990 -0.010 0.000 1.141 75 C CA -0.645 58.388 59.018 0.025 0.000 1.554 75 C CB -0.863 26.859 27.740 -0.029 0.000 1.778 75 C HN 0.756 nan 8.230 nan 0.000 0.429 76 S N 1.115 116.821 115.700 0.010 0.000 2.400 76 S HA -0.201 4.267 4.470 -0.004 0.000 0.232 76 S C 1.684 176.271 174.600 -0.022 0.000 1.025 76 S CA 2.164 60.359 58.200 -0.007 0.000 0.993 76 S CB -0.715 62.488 63.200 0.005 0.000 0.808 76 S HN 0.823 nan 8.310 nan 0.000 0.478 77 T N -1.032 113.515 114.554 -0.012 0.000 3.085 77 T HA 0.202 4.550 4.350 -0.004 0.000 0.263 77 T C 0.730 175.364 174.700 -0.109 0.000 1.127 77 T CA 0.628 62.717 62.100 -0.019 0.000 1.103 77 T CB -0.691 68.198 68.868 0.035 0.000 0.921 77 T HN 0.553 nan 8.240 nan 0.000 0.510 78 K N 0.024 120.333 120.400 -0.150 0.000 3.391 78 K HA -0.149 4.169 4.320 -0.004 0.000 0.307 78 K C -0.422 175.989 176.600 -0.314 0.000 1.304 78 K CA 0.689 56.786 56.287 -0.316 0.000 0.904 78 K CB -1.213 30.931 32.500 -0.594 0.000 1.293 78 K HN 0.531 nan 8.250 nan 0.000 0.470 79 R N 0.328 120.778 120.500 -0.082 0.000 2.538 79 R HA 0.631 4.968 4.340 -0.004 0.000 0.292 79 R C -1.248 175.123 176.300 0.118 0.000 1.008 79 R CA -0.784 55.355 56.100 0.065 0.000 0.896 79 R CB 2.758 33.165 30.300 0.179 0.000 1.187 79 R HN -0.011 nan 8.270 nan 0.000 0.440 80 V N 2.886 122.901 119.914 0.169 0.000 2.932 80 V HA 0.557 4.675 4.120 -0.004 0.000 0.307 80 V C -1.586 174.667 176.094 0.265 0.000 1.147 80 V CA -0.728 61.695 62.300 0.205 0.000 0.951 80 V CB 2.282 34.204 31.823 0.164 0.000 1.031 80 V HN 0.819 nan 8.190 nan 0.000 0.426 81 K N 5.313 125.852 120.400 0.231 0.000 2.328 81 K HA 0.855 5.173 4.320 -0.004 0.000 0.246 81 K C -1.646 175.099 176.600 0.241 0.000 0.955 81 K CA -0.683 55.682 56.287 0.132 0.000 0.817 81 K CB 2.297 34.791 32.500 -0.010 0.000 1.208 81 K HN 0.890 nan 8.250 nan 0.000 0.432 82 Y N -2.256 118.036 120.300 -0.014 0.000 2.641 82 Y HA 0.645 5.193 4.550 -0.004 0.000 0.333 82 Y C -1.914 173.901 175.900 -0.141 0.000 1.174 82 Y CA -1.373 56.680 58.100 -0.078 0.000 1.057 82 Y CB 1.302 39.668 38.460 -0.158 0.000 1.322 82 Y HN 0.418 nan 8.280 nan 0.000 0.457 83 V N 2.811 122.698 119.914 -0.045 0.000 2.841 83 V HA 0.673 4.791 4.120 -0.004 0.000 0.310 83 V C -1.655 174.420 176.094 -0.032 0.000 1.090 83 V CA -1.125 61.139 62.300 -0.060 0.000 0.930 83 V CB 1.834 33.645 31.823 -0.020 0.000 1.014 83 V HN 0.700 nan 8.190 nan 0.000 0.425 84 F N 5.688 125.769 119.950 0.218 0.000 2.379 84 F HA 0.662 5.187 4.527 -0.003 0.000 0.332 84 F C -0.064 175.852 175.800 0.193 0.000 1.096 84 F CA -0.622 57.502 58.000 0.206 0.000 1.105 84 F CB 1.576 40.724 39.000 0.247 0.000 1.189 84 F HN 0.374 nan 8.300 nan 0.000 0.515 85 L N 4.702 126.075 121.223 0.249 0.000 2.345 85 L HA 0.523 4.861 4.340 -0.004 0.000 0.274 85 L C -1.387 175.472 176.870 -0.018 0.000 0.999 85 L CA -0.467 54.350 54.840 -0.039 0.000 0.849 85 L CB 0.546 42.551 42.059 -0.090 0.000 1.220 85 L HN 0.455 nan 8.230 nan 0.000 0.422 86 L N 4.420 125.623 121.223 -0.034 0.000 2.295 86 L HA 0.611 4.949 4.340 -0.004 0.000 0.285 86 L C 0.027 176.841 176.870 -0.094 0.000 1.035 86 L CA -0.470 54.333 54.840 -0.062 0.000 0.806 86 L CB 1.589 43.636 42.059 -0.019 0.000 1.214 86 L HN 0.516 nan 8.230 nan 0.000 0.426 87 T N 1.521 116.015 114.554 -0.100 0.000 2.797 87 T HA 0.527 4.875 4.350 -0.004 0.000 0.279 87 T C 0.434 175.098 174.700 -0.061 0.000 0.991 87 T CA -0.518 61.538 62.100 -0.073 0.000 0.979 87 T CB 1.823 70.659 68.868 -0.053 0.000 0.943 87 T HN 0.758 nan 8.240 nan 0.000 0.444 88 G N 2.355 111.128 108.800 -0.044 0.000 2.535 88 G HA2 0.452 4.410 3.960 -0.004 0.000 0.303 88 G HA3 0.452 4.410 3.960 -0.004 0.000 0.303 88 G C -1.740 173.151 174.900 -0.015 0.000 1.237 88 G CA -1.664 43.417 45.100 -0.032 0.000 0.986 88 G HN 0.379 nan 8.290 nan 0.000 0.494 89 P HA -0.059 nan 4.420 nan 0.000 0.218 89 P C 1.282 178.581 177.300 -0.002 0.000 1.148 89 P CA 1.153 64.253 63.100 0.001 0.000 0.822 89 P CB 0.231 31.931 31.700 0.000 0.000 0.784 90 Q N -1.571 118.225 119.800 -0.007 0.000 2.280 90 Q HA 0.290 4.628 4.340 -0.004 0.000 0.202 90 Q C 1.041 177.038 176.000 -0.005 0.000 0.903 90 Q CA 0.435 56.235 55.803 -0.006 0.000 0.948 90 Q CB -0.145 28.588 28.738 -0.008 0.000 1.058 90 Q HN 0.193 nan 8.270 nan 0.000 0.493 91 G N 1.886 110.682 108.800 -0.008 0.000 2.179 91 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.260 91 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.260 91 G C 0.025 174.917 174.900 -0.014 0.000 0.977 91 G CA 0.263 45.358 45.100 -0.008 0.000 0.641 91 G HN 0.476 nan 8.290 nan 0.000 0.533 92 E N 0.380 120.569 120.200 -0.018 0.000 2.414 92 E HA 0.463 4.810 4.350 -0.004 0.000 0.263 92 E C 0.110 176.688 176.600 -0.037 0.000 1.000 92 E CA 0.363 56.751 56.400 -0.020 0.000 0.914 92 E CB 1.186 30.874 29.700 -0.020 0.000 0.948 92 E HN 1.217 nan 8.360 nan 0.000 0.444 93 A N 3.429 126.223 122.820 -0.043 0.000 2.267 93 A HA 0.470 4.788 4.320 -0.004 0.000 0.315 93 A C -0.304 177.213 177.584 -0.112 0.000 1.297 93 A CA -0.698 51.278 52.037 -0.102 0.000 0.865 93 A CB 0.910 19.845 19.000 -0.108 0.000 1.165 93 A HN 0.650 nan 8.150 nan 0.000 0.513 94 V N 1.356 121.197 119.914 -0.122 0.000 2.604 94 V HA 0.777 4.895 4.120 -0.004 0.000 0.305 94 V C -1.251 174.822 176.094 -0.035 0.000 1.043 94 V CA -0.896 61.398 62.300 -0.009 0.000 0.888 94 V CB 1.051 32.931 31.823 0.094 0.000 0.995 94 V HN 0.672 nan 8.190 nan 0.000 0.429 95 Y N 4.532 124.953 120.300 0.203 0.000 2.335 95 Y HA 0.636 5.184 4.550 -0.004 0.000 0.323 95 Y C -0.267 175.816 175.900 0.304 0.000 1.224 95 Y CA -0.413 57.813 58.100 0.211 0.000 1.241 95 Y CB 1.826 40.353 38.460 0.112 0.000 1.235 95 Y HN 0.810 nan 8.280 nan 0.000 0.492 96 F N 1.972 122.071 119.950 0.249 0.000 2.579 96 F HA 0.744 5.269 4.527 -0.004 0.000 0.325 96 F C -0.296 175.553 175.800 0.081 0.000 1.162 96 F CA -0.361 57.644 58.000 0.008 0.000 0.946 96 F CB 0.977 40.025 39.000 0.079 0.000 1.211 96 F HN 0.580 nan 8.300 nan 0.000 0.447 97 G N 3.725 112.201 108.800 -0.540 0.000 2.866 97 G HA2 0.158 4.115 3.960 -0.004 0.000 0.289 97 G HA3 0.158 4.115 3.960 -0.004 0.000 0.289 97 G C -0.140 173.920 174.900 -1.401 0.000 1.396 97 G CA -0.479 43.998 45.100 -1.038 0.000 0.848 97 G HN 0.703 nan 8.290 nan 0.000 0.515 98 E N -0.964 118.255 120.200 -1.635 0.000 2.130 98 E HA -0.174 4.174 4.350 -0.004 0.000 0.196 98 E C 2.139 178.454 176.600 -0.474 0.000 0.998 98 E CA 2.113 57.899 56.400 -1.023 0.000 0.806 98 E CB -0.042 29.232 29.700 -0.710 0.000 0.738 98 E HN 0.439 nan 8.360 nan 0.000 0.459 99 T N -0.619 113.700 114.554 -0.393 0.000 2.777 99 T HA 0.157 4.505 4.350 -0.004 0.000 0.266 99 T C 0.816 175.437 174.700 -0.131 0.000 1.040 99 T CA 0.896 62.873 62.100 -0.204 0.000 1.141 99 T CB 0.194 68.964 68.868 -0.163 0.000 0.868 99 T HN 0.492 nan 8.240 nan 0.000 0.444 100 G N 0.096 108.787 108.800 -0.180 0.000 2.347 100 G HA2 0.316 4.274 3.960 -0.004 0.000 0.224 100 G HA3 0.316 4.274 3.960 -0.004 0.000 0.224 100 G C -1.798 173.003 174.900 -0.165 0.000 1.318 100 G CA -1.105 43.934 45.100 -0.103 0.000 1.016 100 G HN 0.169 nan 8.290 nan 0.000 0.469 101 F N 0.961 121.038 119.950 0.212 0.000 2.458 101 F HA 0.860 5.385 4.527 -0.004 0.000 0.330 101 F C 0.762 176.646 175.800 0.139 0.000 1.082 101 F CA -0.061 58.060 58.000 0.202 0.000 0.995 101 F CB 2.288 41.361 39.000 0.122 0.000 1.170 101 F HN 0.654 nan 8.300 nan 0.000 0.478 102 S N 0.267 116.169 115.700 0.336 0.000 2.565 102 S HA 0.606 5.074 4.470 -0.004 0.000 0.274 102 S C 0.029 174.794 174.600 0.275 0.000 1.144 102 S CA -0.065 58.276 58.200 0.236 0.000 0.849 102 S CB 1.188 64.480 63.200 0.153 0.000 1.103 102 S HN 0.846 nan 8.310 nan 0.000 0.455 103 A N 1.819 124.763 122.820 0.207 0.000 2.167 103 A HA 0.300 4.618 4.320 -0.004 0.000 0.214 103 A C 0.469 178.239 177.584 0.310 0.000 1.151 103 A CA 0.633 52.803 52.037 0.222 0.000 0.735 103 A CB -0.294 18.786 19.000 0.132 0.000 0.802 103 A HN 0.747 nan 8.150 nan 0.000 0.467 104 E N -0.962 119.364 120.200 0.209 0.000 2.171 104 E HA 0.363 4.711 4.350 -0.004 0.000 0.271 104 E C 0.474 176.971 176.600 -0.170 0.000 0.916 104 E CA -0.670 55.759 56.400 0.049 0.000 0.774 104 E CB 1.625 31.324 29.700 -0.001 0.000 1.128 104 E HN 0.339 nan 8.360 nan 0.000 0.403 105 R N 1.881 121.970 120.500 -0.685 0.000 2.096 105 R HA -0.202 4.135 4.340 -0.004 0.000 0.240 105 R C 2.051 178.120 176.300 -0.385 0.000 1.139 105 R CA 2.495 58.025 56.100 -0.949 0.000 0.952 105 R CB -0.153 29.530 30.300 -1.029 0.000 0.854 105 R HN 0.626 nan 8.270 nan 0.000 0.436 106 S N 0.405 115.947 115.700 -0.262 0.000 2.370 106 S HA -0.150 4.318 4.470 -0.004 0.000 0.226 106 S C 1.730 176.254 174.600 -0.128 0.000 1.033 106 S CA 1.321 59.420 58.200 -0.168 0.000 1.011 106 S CB -0.252 62.874 63.200 -0.124 0.000 0.852 106 S HN 0.390 nan 8.310 nan 0.000 0.457 107 K N 1.293 121.638 120.400 -0.092 0.000 2.439 107 K HA 0.226 4.544 4.320 -0.004 0.000 0.197 107 K C 1.987 178.557 176.600 -0.050 0.000 1.041 107 K CA 0.742 56.998 56.287 -0.052 0.000 0.970 107 K CB -0.251 32.244 32.500 -0.009 0.000 0.773 107 K HN 0.548 nan 8.250 nan 0.000 0.479 108 A N 1.122 123.903 122.820 -0.066 0.000 2.195 108 A HA 0.259 4.577 4.320 -0.004 0.000 0.210 108 A C 1.022 178.488 177.584 -0.198 0.000 1.165 108 A CA 0.677 52.672 52.037 -0.070 0.000 0.806 108 A CB -0.197 18.830 19.000 0.046 0.000 0.847 108 A HN 0.351 nan 8.150 nan 0.000 0.482 109 G N -1.022 107.656 108.800 -0.203 0.000 2.641 109 G HA2 0.057 4.015 3.960 -0.004 0.000 0.254 109 G HA3 0.057 4.015 3.960 -0.004 0.000 0.254 109 G C 0.010 174.704 174.900 -0.343 0.000 1.315 109 G CA 0.526 45.468 45.100 -0.262 0.000 0.907 109 G HN 1.856 nan 8.290 nan 0.000 0.572 110 V N -3.649 116.018 119.914 -0.411 0.000 3.049 110 V HA 0.827 4.944 4.120 -0.004 0.000 0.309 110 V C 0.078 175.793 176.094 -0.631 0.000 1.148 110 V CA -1.450 60.566 62.300 -0.474 0.000 0.990 110 V CB 1.681 33.328 31.823 -0.292 0.000 1.039 110 V HN 1.063 nan 8.190 nan 0.000 0.430 111 F N 1.194 120.763 119.950 -0.635 0.000 2.378 111 F HA 0.673 5.198 4.527 -0.004 0.000 0.319 111 F C 0.794 176.216 175.800 -0.630 0.000 1.155 111 F CA 0.019 57.609 58.000 -0.684 0.000 1.157 111 F CB 1.127 39.543 39.000 -0.974 0.000 1.252 111 F HN 0.558 nan 8.300 nan 0.000 0.550 112 Q N 0.832 120.571 119.800 -0.102 0.000 2.315 112 Q HA 0.247 4.585 4.340 -0.004 0.000 0.273 112 Q C -1.945 174.169 176.000 0.190 0.000 1.053 112 Q CA -0.901 54.917 55.803 0.026 0.000 0.817 112 Q CB 3.008 31.727 28.738 -0.030 0.000 1.326 112 Q HN 0.621 nan 8.270 nan 0.000 0.423 113 Y N 1.047 121.462 120.300 0.191 0.000 2.575 113 Y HA 0.395 4.943 4.550 -0.004 0.000 0.326 113 Y C 0.741 176.721 175.900 0.134 0.000 0.979 113 Y CA -0.152 58.057 58.100 0.181 0.000 1.286 113 Y CB 0.680 39.255 38.460 0.192 0.000 1.093 113 Y HN 0.936 nan 8.280 nan 0.000 0.501 114 A N 4.882 127.698 122.820 -0.007 0.000 1.881 114 A HA -0.226 4.092 4.320 -0.004 0.000 0.219 114 A C -0.269 177.458 177.584 0.238 0.000 1.215 114 A CA 2.189 54.281 52.037 0.092 0.000 0.648 114 A CB -0.571 18.457 19.000 0.047 0.000 0.832 114 A HN 0.736 nan 8.150 nan 0.000 0.455 115 Y N -2.634 117.707 120.300 0.068 0.000 2.521 115 Y HA 0.532 5.080 4.550 -0.004 0.000 0.332 115 Y C -1.257 174.708 175.900 0.108 0.000 1.121 115 Y CA -1.082 57.045 58.100 0.045 0.000 1.037 115 Y CB 1.251 39.656 38.460 -0.093 0.000 1.330 115 Y HN 0.147 nan 8.280 nan 0.000 0.452 116 I N 5.760 126.203 120.570 -0.210 0.000 2.307 116 I HA 0.265 4.432 4.170 -0.004 0.000 0.289 116 I C -0.887 175.199 176.117 -0.052 0.000 1.021 116 I CA -0.446 60.865 61.300 0.019 0.000 1.224 116 I CB 0.699 38.655 38.000 -0.073 0.000 1.376 116 I HN 0.611 nan 8.210 nan 0.000 0.470 117 H N 4.751 123.991 119.070 0.283 0.000 2.489 117 H HA 0.238 4.792 4.556 -0.004 0.000 0.322 117 H C 1.127 176.552 175.328 0.162 0.000 1.091 117 H CA -0.642 55.568 56.048 0.270 0.000 1.291 117 H CB 1.239 31.141 29.762 0.234 0.000 1.436 117 H HN 0.507 nan 8.280 nan 0.000 0.480 118 R N 1.010 121.648 120.500 0.230 0.000 2.105 118 R HA -0.162 4.176 4.340 -0.004 0.000 0.239 118 R C 1.461 177.849 176.300 0.147 0.000 1.135 118 R CA 1.825 58.015 56.100 0.150 0.000 0.967 118 R CB -0.327 30.042 30.300 0.115 0.000 0.861 118 R HN 0.532 nan 8.270 nan 0.000 0.442 119 S N -0.189 115.608 115.700 0.162 0.000 2.555 119 S HA -0.035 4.433 4.470 -0.004 0.000 0.230 119 S C 1.262 175.923 174.600 0.103 0.000 0.978 119 S CA 0.845 59.111 58.200 0.108 0.000 0.934 119 S CB 0.149 63.395 63.200 0.078 0.000 0.766 119 S HN 0.560 nan 8.310 nan 0.000 0.533 120 E N 0.351 120.645 120.200 0.157 0.000 2.498 120 E HA 0.232 4.579 4.350 -0.004 0.000 0.203 120 E C -0.882 175.813 176.600 0.158 0.000 1.013 120 E CA -0.186 56.302 56.400 0.147 0.000 0.927 120 E CB 0.976 30.804 29.700 0.213 0.000 1.012 120 E HN 0.293 nan 8.360 nan 0.000 0.482 121 V N 2.747 122.754 119.914 0.154 0.000 2.405 121 V HA -0.004 4.114 4.120 -0.004 0.000 0.264 121 V C 0.115 176.331 176.094 0.204 0.000 1.048 121 V CA -0.257 62.143 62.300 0.167 0.000 0.966 121 V CB -0.275 31.623 31.823 0.126 0.000 1.015 121 V HN 0.165 nan 8.190 nan 0.000 0.477 122 F N 5.292 125.268 119.950 0.044 0.000 2.569 122 F HA 0.128 4.653 4.527 -0.004 0.000 0.395 122 F C 0.764 176.563 175.800 -0.001 0.000 1.028 122 F CA 0.443 58.446 58.000 0.006 0.000 1.158 122 F CB -0.073 38.901 39.000 -0.043 0.000 1.023 122 F HN 0.498 nan 8.300 nan 0.000 0.547 123 T N 4.809 119.653 114.554 0.483 0.000 2.848 123 T HA 0.543 4.891 4.350 -0.004 0.000 0.285 123 T C -0.150 174.683 174.700 0.222 0.000 0.995 123 T CA -0.704 61.542 62.100 0.242 0.000 0.970 123 T CB 1.521 70.471 68.868 0.135 0.000 0.976 123 T HN 0.667 nan 8.240 nan 0.000 0.441 124 T N 0.503 115.105 114.554 0.080 0.000 2.930 124 T HA 0.716 5.064 4.350 -0.004 0.000 0.290 124 T C -3.049 171.611 174.700 -0.066 0.000 1.052 124 T CA -2.614 59.493 62.100 0.013 0.000 1.017 124 T CB 1.069 69.889 68.868 -0.080 0.000 1.137 124 T HN 0.144 nan 8.240 nan 0.000 0.511 125 P HA 0.226 nan 4.420 nan 0.000 0.267 125 P C 0.821 177.943 177.300 -0.296 0.000 1.205 125 P CA -0.179 62.794 63.100 -0.212 0.000 0.765 125 P CB 0.540 32.009 31.700 -0.386 0.000 0.828 126 E N 2.883 123.017 120.200 -0.112 0.000 2.085 126 E HA -0.172 4.176 4.350 -0.004 0.000 0.194 126 E C 1.805 178.355 176.600 -0.084 0.000 0.994 126 E CA 1.468 57.824 56.400 -0.074 0.000 0.801 126 E CB -0.463 29.247 29.700 0.016 0.000 0.743 126 E HN 0.704 nan 8.360 nan 0.000 0.453 127 W N 0.613 121.894 121.300 -0.032 0.000 2.374 127 W HA 0.038 4.696 4.660 -0.004 0.000 0.288 127 W C 1.735 178.224 176.519 -0.050 0.000 1.218 127 W CA 1.011 58.328 57.345 -0.047 0.000 1.245 127 W CB -0.885 28.551 29.460 -0.041 0.000 1.126 127 W HN -0.013 nan 8.180 nan 0.000 0.545 128 A N 1.651 123.831 122.820 -1.067 0.000 2.067 128 A HA -0.133 4.185 4.320 -0.004 0.000 0.219 128 A C 2.096 179.433 177.584 -0.412 0.000 1.158 128 A CA 1.490 52.939 52.037 -0.981 0.000 0.661 128 A CB -0.632 17.693 19.000 -1.125 0.000 0.801 128 A HN 0.350 nan 8.150 nan 0.000 0.452 129 K N -0.046 120.167 120.400 -0.312 0.000 2.211 129 K HA -0.127 4.191 4.320 -0.004 0.000 0.203 129 K C 0.801 177.294 176.600 -0.179 0.000 1.050 129 K CA 1.446 57.606 56.287 -0.211 0.000 0.945 129 K CB -0.007 32.392 32.500 -0.168 0.000 0.732 129 K HN 0.857 nan 8.250 nan 0.000 0.451 130 E N -0.307 119.791 120.200 -0.169 0.000 2.968 130 E HA 0.305 4.653 4.350 -0.004 0.000 0.202 130 E C -0.540 175.922 176.600 -0.230 0.000 0.979 130 E CA -0.476 55.801 56.400 -0.206 0.000 1.192 130 E CB 0.854 30.423 29.700 -0.218 0.000 1.059 130 E HN 0.041 nan 8.360 nan 0.000 0.470 131 A N 0.621 123.361 122.820 -0.133 0.000 2.271 131 A HA 0.576 4.894 4.320 -0.004 0.000 0.288 131 A C -0.161 177.373 177.584 -0.084 0.000 1.094 131 A CA -0.496 51.517 52.037 -0.041 0.000 0.828 131 A CB 1.223 20.279 19.000 0.094 0.000 1.091 131 A HN 0.157 nan 8.150 nan 0.000 0.493 132 V N 2.932 122.837 119.914 -0.016 0.000 2.462 132 V HA 0.236 4.354 4.120 -0.004 0.000 0.288 132 V C -0.744 175.328 176.094 -0.037 0.000 1.020 132 V CA -0.445 61.841 62.300 -0.023 0.000 0.857 132 V CB 1.080 32.956 31.823 0.088 0.000 1.013 132 V HN 0.668 nan 8.190 nan 0.000 0.431 133 I N 4.075 124.537 120.570 -0.181 0.000 2.472 133 I HA 0.342 4.510 4.170 -0.004 0.000 0.290 133 I C -0.461 175.627 176.117 -0.047 0.000 1.016 133 I CA -0.467 60.704 61.300 -0.215 0.000 1.348 133 I CB 0.819 38.403 38.000 -0.692 0.000 1.417 133 I HN 0.601 nan 8.210 nan 0.000 0.521 134 Y N 4.889 125.119 120.300 -0.117 0.000 2.328 134 Y HA 0.278 4.826 4.550 -0.003 0.000 0.333 134 Y C 0.335 176.189 175.900 -0.076 0.000 0.958 134 Y CA -0.612 57.450 58.100 -0.064 0.000 1.167 134 Y CB 1.211 39.622 38.460 -0.082 0.000 1.151 134 Y HN 0.607 nan 8.280 nan 0.000 0.470 135 Q N 6.641 126.339 119.800 -0.170 0.000 2.307 135 Q HA 0.409 4.746 4.340 -0.004 0.000 0.259 135 Q C -1.335 174.530 176.000 -0.225 0.000 0.998 135 Q CA -0.156 55.630 55.803 -0.027 0.000 0.923 135 Q CB 0.498 29.433 28.738 0.329 0.000 1.196 135 Q HN 0.771 nan 8.270 nan 0.000 0.416 136 I N 4.867 125.192 120.570 -0.409 0.000 2.339 136 I HA 0.212 4.380 4.170 -0.004 0.000 0.290 136 I C -0.758 175.178 176.117 -0.302 0.000 0.994 136 I CA -0.707 60.323 61.300 -0.451 0.000 1.191 136 I CB 0.922 38.450 38.000 -0.788 0.000 1.343 136 I HN 0.667 nan 8.210 nan 0.000 0.458 137 F N 10.058 129.782 119.950 -0.377 0.000 2.351 137 F HA 0.360 4.885 4.527 -0.003 0.000 0.362 137 F C -1.282 174.382 175.800 -0.226 0.000 1.131 137 F CA -1.970 55.869 58.000 -0.267 0.000 1.187 137 F CB 0.716 39.625 39.000 -0.152 0.000 1.434 137 F HN 0.361 nan 8.300 nan 0.000 0.553 138 P HA -0.315 nan 4.420 nan 0.000 0.219 138 P C 1.302 178.578 177.300 -0.040 0.000 1.158 138 P CA 1.586 64.512 63.100 -0.291 0.000 0.895 138 P CB 0.278 31.472 31.700 -0.843 0.000 0.792 139 E N -0.678 119.496 120.200 -0.044 0.000 2.204 139 E HA -0.154 4.194 4.350 -0.004 0.000 0.195 139 E C 1.651 178.491 176.600 0.400 0.000 0.990 139 E CA 0.910 57.509 56.400 0.333 0.000 0.821 139 E CB 0.023 29.937 29.700 0.356 0.000 0.750 139 E HN 0.204 nan 8.360 nan 0.000 0.477 140 R N -1.556 119.130 120.500 0.309 0.000 2.476 140 R HA 0.119 4.457 4.340 -0.004 0.000 0.276 140 R C 1.715 178.126 176.300 0.184 0.000 0.941 140 R CA -0.242 55.946 56.100 0.147 0.000 1.088 140 R CB -0.647 29.718 30.300 0.109 0.000 1.216 140 R HN 0.158 nan 8.270 nan 0.000 0.533 141 F N 1.339 121.354 119.950 0.109 0.000 2.094 141 F HA 0.225 4.750 4.527 -0.004 0.000 0.291 141 F C 0.333 176.557 175.800 0.706 0.000 1.109 141 F CA 0.892 59.033 58.000 0.234 0.000 1.221 141 F CB 0.391 39.463 39.000 0.119 0.000 1.014 141 F HN -0.039 nan 8.300 nan 0.000 0.473 142 A N 0.424 123.483 122.820 0.397 0.000 2.513 142 A HA 0.309 4.627 4.320 -0.004 0.000 0.296 142 A C -1.597 175.898 177.584 -0.148 0.000 1.052 142 A CA -0.701 51.284 52.037 -0.085 0.000 0.714 142 A CB 0.364 19.166 19.000 -0.329 0.000 1.279 142 A HN 0.207 nan 8.150 nan 0.000 0.397 143 N N 1.978 120.358 118.700 -0.533 0.000 2.521 143 N HA 0.321 5.058 4.740 -0.004 0.000 0.236 143 N C 1.028 176.398 175.510 -0.234 0.000 1.067 143 N CA 0.580 53.500 53.050 -0.217 0.000 0.939 143 N CB 1.180 39.572 38.487 -0.159 0.000 1.201 143 N HN 0.766 nan 8.380 nan 0.000 0.511 144 G N 1.549 110.273 108.800 -0.127 0.000 2.662 144 G HA2 -0.061 3.897 3.960 -0.004 0.000 0.212 144 G HA3 -0.061 3.897 3.960 -0.004 0.000 0.212 144 G C -0.039 174.812 174.900 -0.082 0.000 1.141 144 G CA 0.031 45.053 45.100 -0.130 0.000 0.797 144 G HN 0.567 nan 8.290 nan 0.000 0.531 145 D N -0.777 119.598 120.400 -0.041 0.000 2.402 145 D HA 0.299 4.936 4.640 -0.004 0.000 0.252 145 D C -1.620 174.670 176.300 -0.016 0.000 1.294 145 D CA -1.955 52.029 54.000 -0.027 0.000 0.948 145 D CB 2.374 43.169 40.800 -0.009 0.000 1.202 145 D HN -0.070 nan 8.370 nan 0.000 0.561 146 P HA -0.132 nan 4.420 nan 0.000 0.226 146 P C 1.204 178.492 177.300 -0.020 0.000 1.153 146 P CA 0.622 63.714 63.100 -0.013 0.000 0.777 146 P CB 0.258 31.950 31.700 -0.014 0.000 0.794 147 S N 1.673 117.360 115.700 -0.022 0.000 2.399 147 S HA -0.172 4.296 4.470 -0.004 0.000 0.231 147 S C 1.611 176.190 174.600 -0.035 0.000 1.022 147 S CA 1.493 59.678 58.200 -0.025 0.000 0.983 147 S CB -1.563 61.625 63.200 -0.019 0.000 0.803 147 S HN 0.249 nan 8.310 nan 0.000 0.480 148 N N 0.885 119.563 118.700 -0.036 0.000 2.336 148 N HA 0.115 4.853 4.740 -0.004 0.000 0.189 148 N C -0.942 174.507 175.510 -0.101 0.000 1.113 148 N CA -0.005 53.010 53.050 -0.059 0.000 0.858 148 N CB -0.569 37.896 38.487 -0.037 0.000 0.970 148 N HN 0.187 nan 8.380 nan 0.000 0.471 149 D N 3.017 123.367 120.400 -0.082 0.000 2.450 149 D HA 0.081 4.719 4.640 -0.004 0.000 0.247 149 D C -1.874 174.300 176.300 -0.210 0.000 1.162 149 D CA -0.822 53.106 54.000 -0.119 0.000 0.879 149 D CB 0.675 41.446 40.800 -0.049 0.000 1.163 149 D HN 0.314 nan 8.370 nan 0.000 0.472 150 P HA 0.152 nan 4.420 nan 0.000 0.272 150 P C -2.569 174.535 177.300 -0.327 0.000 1.223 150 P CA -1.200 61.590 63.100 -0.516 0.000 0.784 150 P CB -0.101 30.887 31.700 -1.187 0.000 0.923 151 P HA 0.018 nan 4.420 nan 0.000 0.268 151 P C 0.817 178.137 177.300 0.033 0.000 1.204 151 P CA 0.881 63.950 63.100 -0.051 0.000 0.768 151 P CB 0.090 31.782 31.700 -0.013 0.000 0.842 152 G N 1.731 110.561 108.800 0.051 0.000 2.176 152 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.232 152 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.232 152 G C 0.321 175.278 174.900 0.095 0.000 0.986 152 G CA 0.005 45.164 45.100 0.099 0.000 0.643 152 G HN 0.646 nan 8.290 nan 0.000 0.522 153 T N 1.600 116.190 114.554 0.060 0.000 2.905 153 T HA 0.338 4.685 4.350 -0.004 0.000 0.299 153 T C 0.752 175.450 174.700 -0.003 0.000 1.024 153 T CA 0.967 63.090 62.100 0.038 0.000 1.151 153 T CB 1.005 69.889 68.868 0.027 0.000 0.987 153 T HN 0.515 nan 8.240 nan 0.000 0.535 154 E N 1.463 121.581 120.200 -0.136 0.000 2.602 154 E HA 0.287 4.635 4.350 -0.004 0.000 0.255 154 E C 0.150 176.821 176.600 0.118 0.000 1.268 154 E CA -0.781 55.567 56.400 -0.087 0.000 1.007 154 E CB 0.549 30.095 29.700 -0.258 0.000 1.208 154 E HN 0.448 nan 8.360 nan 0.000 0.584 155 Q N 0.227 120.146 119.800 0.197 0.000 2.417 155 Q HA 0.060 4.398 4.340 -0.004 0.000 0.241 155 Q C -1.428 174.830 176.000 0.430 0.000 1.008 155 Q CA 0.049 56.018 55.803 0.277 0.000 0.901 155 Q CB 0.544 29.397 28.738 0.191 0.000 1.259 155 Q HN 0.441 nan 8.270 nan 0.000 0.489 156 W N 3.657 125.078 121.300 0.202 0.000 2.296 156 W HA 0.668 5.327 4.660 -0.003 0.000 0.333 156 W C -1.502 175.059 176.519 0.071 0.000 0.931 156 W CA -0.352 57.083 57.345 0.150 0.000 1.538 156 W CB 0.039 29.580 29.460 0.136 0.000 1.417 156 W HN 0.655 nan 8.180 nan 0.000 0.380 157 A N 3.534 126.414 122.820 0.099 0.000 2.532 157 A HA 0.367 4.685 4.320 -0.004 0.000 0.290 157 A C 0.846 178.404 177.584 -0.044 0.000 1.143 157 A CA -0.616 51.469 52.037 0.080 0.000 0.728 157 A CB 1.929 20.980 19.000 0.086 0.000 1.317 157 A HN 0.466 nan 8.150 nan 0.000 0.414 158 K N -0.191 120.196 120.400 -0.022 0.000 2.097 158 K HA -0.169 4.149 4.320 -0.004 0.000 0.205 158 K C 0.627 177.187 176.600 -0.066 0.000 1.050 158 K CA 2.160 58.408 56.287 -0.065 0.000 0.938 158 K CB -0.163 32.311 32.500 -0.044 0.000 0.718 158 K HN 0.806 nan 8.250 nan 0.000 0.442 159 D N -0.004 120.378 120.400 -0.031 0.000 2.323 159 D HA 0.048 4.686 4.640 -0.004 0.000 0.239 159 D C -0.328 175.965 176.300 -0.012 0.000 1.129 159 D CA -0.122 53.866 54.000 -0.020 0.000 0.865 159 D CB 0.298 41.097 40.800 -0.001 0.000 0.913 159 D HN 0.184 nan 8.370 nan 0.000 0.517 160 A N 1.038 123.838 122.820 -0.034 0.000 2.347 160 A HA 0.425 4.743 4.320 -0.004 0.000 0.287 160 A C 0.126 177.702 177.584 -0.014 0.000 1.199 160 A CA -0.749 51.288 52.037 -0.000 0.000 0.851 160 A CB 0.338 19.319 19.000 -0.031 0.000 1.118 160 A HN 0.051 nan 8.150 nan 0.000 0.525 161 R N 3.407 123.932 120.500 0.041 0.000 2.278 161 R HA 0.333 4.671 4.340 -0.004 0.000 0.322 161 R C -2.830 173.526 176.300 0.093 0.000 1.058 161 R CA -1.942 54.180 56.100 0.036 0.000 0.991 161 R CB 0.364 30.678 30.300 0.023 0.000 1.140 161 R HN 0.489 nan 8.270 nan 0.000 0.518 162 P HA 0.065 nan 4.420 nan 0.000 0.266 162 P C -0.054 177.318 177.300 0.120 0.000 1.193 162 P CA 0.162 63.382 63.100 0.200 0.000 0.770 162 P CB 0.783 32.608 31.700 0.209 0.000 0.836 163 R N 0.807 121.371 120.500 0.108 0.000 2.828 163 R HA 0.209 4.547 4.340 -0.004 0.000 0.264 163 R C 1.632 177.994 176.300 0.103 0.000 1.022 163 R CA -0.792 55.363 56.100 0.091 0.000 1.021 163 R CB 0.537 30.879 30.300 0.070 0.000 1.163 163 R HN 0.645 nan 8.270 nan 0.000 0.494 164 H N 1.746 120.835 119.070 0.032 0.000 2.400 164 H HA -0.197 4.356 4.556 -0.004 0.000 0.295 164 H C -0.083 175.267 175.328 0.037 0.000 1.118 164 H CA 2.587 58.657 56.048 0.037 0.000 1.256 164 H CB 0.299 30.070 29.762 0.015 0.000 1.365 164 H HN 0.682 nan 8.280 nan 0.000 0.502 165 D N -0.670 119.785 120.400 0.092 0.000 2.593 165 D HA 0.179 4.817 4.640 -0.004 0.000 0.241 165 D C 0.070 176.271 176.300 -0.166 0.000 1.257 165 D CA -0.423 53.590 54.000 0.021 0.000 0.828 165 D CB 0.334 41.188 40.800 0.091 0.000 1.049 165 D HN -0.038 nan 8.370 nan 0.000 0.490 166 S N 0.040 115.652 115.700 -0.147 0.000 2.596 166 S HA 0.398 4.866 4.470 -0.004 0.000 0.260 166 S C -0.345 173.995 174.600 -0.433 0.000 1.336 166 S CA -0.052 58.008 58.200 -0.233 0.000 0.993 166 S CB 0.442 63.583 63.200 -0.098 0.000 0.923 166 S HN 0.299 nan 8.310 nan 0.000 0.567 167 F N -0.493 119.253 119.950 -0.340 0.000 2.591 167 F HA 0.390 4.915 4.527 -0.003 0.000 0.309 167 F C -0.528 174.959 175.800 -0.521 0.000 1.098 167 F CA -0.658 57.179 58.000 -0.272 0.000 0.937 167 F CB 1.697 40.582 39.000 -0.191 0.000 1.250 167 F HN 0.577 nan 8.300 nan 0.000 0.447 168 Y N 0.093 120.594 120.300 0.335 0.000 2.437 168 Y HA 0.296 4.844 4.550 -0.004 0.000 0.266 168 Y C 1.353 177.496 175.900 0.406 0.000 1.077 168 Y CA 0.199 58.472 58.100 0.288 0.000 1.235 168 Y CB 1.415 39.917 38.460 0.070 0.000 1.303 168 Y HN 0.760 nan 8.280 nan 0.000 0.536 169 G N 0.586 109.640 108.800 0.424 0.000 2.141 169 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.231 169 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.231 169 G C 0.686 175.809 174.900 0.372 0.000 0.984 169 G CA -0.144 45.135 45.100 0.299 0.000 0.660 169 G HN 0.685 nan 8.290 nan 0.000 0.525 170 G N 0.360 109.485 108.800 0.542 0.000 2.414 170 G HA2 0.536 4.494 3.960 -0.004 0.000 0.236 170 G HA3 0.536 4.494 3.960 -0.004 0.000 0.236 170 G C 0.066 175.191 174.900 0.375 0.000 1.293 170 G CA 1.025 46.413 45.100 0.480 0.000 0.869 170 G HN 1.116 nan 8.290 nan 0.000 0.556 171 D N 0.094 120.655 120.400 0.268 0.000 2.677 171 D HA 0.153 4.790 4.640 -0.004 0.000 0.298 171 D C 1.194 177.579 176.300 0.140 0.000 1.250 171 D CA -0.924 53.227 54.000 0.252 0.000 0.888 171 D CB 0.287 41.216 40.800 0.216 0.000 1.397 171 D HN 0.178 nan 8.370 nan 0.000 0.461 172 L N -0.836 120.443 121.223 0.093 0.000 2.083 172 L HA -0.105 4.233 4.340 -0.004 0.000 0.209 172 L C 2.277 179.178 176.870 0.051 0.000 1.083 172 L CA 1.244 56.106 54.840 0.037 0.000 0.752 172 L CB -0.548 41.518 42.059 0.011 0.000 0.899 172 L HN 0.419 nan 8.230 nan 0.000 0.433 173 K N 0.987 121.415 120.400 0.045 0.000 2.063 173 K HA -0.141 4.176 4.320 -0.004 0.000 0.208 173 K C 1.993 178.589 176.600 -0.007 0.000 1.048 173 K CA 1.667 57.959 56.287 0.009 0.000 0.928 173 K CB -0.776 31.722 32.500 -0.003 0.000 0.713 173 K HN 0.220 nan 8.250 nan 0.000 0.442 174 G N -0.054 108.749 108.800 0.006 0.000 2.440 174 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.218 174 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.218 174 G C 1.543 176.477 174.900 0.056 0.000 1.154 174 G CA 1.119 46.193 45.100 -0.044 0.000 0.767 174 G HN 0.211 nan 8.290 nan 0.000 0.552 175 V N 1.329 121.370 119.914 0.213 0.000 2.287 175 V HA -0.211 3.906 4.120 -0.004 0.000 0.248 175 V C 2.812 179.006 176.094 0.167 0.000 1.053 175 V CA 1.794 64.293 62.300 0.332 0.000 1.027 175 V CB -0.459 31.548 31.823 0.308 0.000 0.646 175 V HN 0.420 nan 8.190 nan 0.000 0.447 176 I N 0.244 120.852 120.570 0.064 0.000 2.163 176 I HA -0.254 3.914 4.170 -0.004 0.000 0.243 176 I C 2.214 178.316 176.117 -0.025 0.000 1.085 176 I CA 1.724 63.027 61.300 0.005 0.000 1.347 176 I CB -0.614 37.370 38.000 -0.027 0.000 1.044 176 I HN 0.328 nan 8.210 nan 0.000 0.408 177 D N 0.643 121.001 120.400 -0.068 0.000 2.263 177 D HA -0.112 4.526 4.640 -0.004 0.000 0.208 177 D C 1.876 178.064 176.300 -0.186 0.000 0.971 177 D CA 0.890 54.805 54.000 -0.141 0.000 0.867 177 D CB -0.152 40.523 40.800 -0.209 0.000 0.929 177 D HN 0.264 nan 8.370 nan 0.000 0.492 178 R N 0.121 120.537 120.500 -0.140 0.000 2.393 178 R HA 0.234 4.572 4.340 -0.004 0.000 0.244 178 R C 2.074 178.444 176.300 0.117 0.000 0.920 178 R CA -0.197 55.817 56.100 -0.143 0.000 1.076 178 R CB -0.110 30.006 30.300 -0.308 0.000 1.119 178 R HN 0.261 nan 8.270 nan 0.000 0.524 179 L N 1.023 122.293 121.223 0.079 0.000 2.079 179 L HA -0.143 4.195 4.340 -0.004 0.000 0.210 179 L C -0.684 176.232 176.870 0.077 0.000 1.081 179 L CA 1.697 56.585 54.840 0.080 0.000 0.752 179 L CB -1.248 40.828 42.059 0.027 0.000 0.896 179 L HN 0.052 nan 8.230 nan 0.000 0.433 180 P HA -0.224 nan 4.420 nan 0.000 0.218 180 P C 1.291 178.665 177.300 0.124 0.000 1.149 180 P CA 1.253 64.391 63.100 0.062 0.000 0.817 180 P CB -0.046 31.676 31.700 0.036 0.000 0.785 181 Y N 0.394 120.733 120.300 0.064 0.000 2.163 181 Y HA -0.148 4.400 4.550 -0.004 0.000 0.288 181 Y C 1.947 177.957 175.900 0.184 0.000 1.136 181 Y CA 1.481 59.682 58.100 0.168 0.000 1.147 181 Y CB -0.987 37.620 38.460 0.245 0.000 0.987 181 Y HN -0.218 nan 8.280 nan 0.000 0.509 182 L N 0.174 121.487 121.223 0.150 0.000 2.093 182 L HA -0.164 4.173 4.340 -0.004 0.000 0.208 182 L C 2.547 179.348 176.870 -0.115 0.000 1.085 182 L CA 1.749 56.542 54.840 -0.079 0.000 0.755 182 L CB -0.573 41.447 42.059 -0.066 0.000 0.904 182 L HN 0.318 nan 8.230 nan 0.000 0.435 183 E N 0.589 120.762 120.200 -0.045 0.000 2.047 183 E HA -0.292 4.056 4.350 -0.004 0.000 0.191 183 E C 2.098 178.650 176.600 -0.079 0.000 0.987 183 E CA 1.370 57.739 56.400 -0.051 0.000 0.799 183 E CB 0.043 29.730 29.700 -0.021 0.000 0.752 183 E HN 0.456 nan 8.360 nan 0.000 0.449 184 E N 0.266 120.428 120.200 -0.064 0.000 2.085 184 E HA -0.233 4.115 4.350 -0.004 0.000 0.194 184 E C 2.209 178.693 176.600 -0.193 0.000 0.994 184 E CA 1.092 57.447 56.400 -0.076 0.000 0.801 184 E CB -0.138 29.577 29.700 0.025 0.000 0.743 184 E HN 0.279 nan 8.360 nan 0.000 0.453 185 L N 0.021 121.087 121.223 -0.262 0.000 2.131 185 L HA -0.006 4.332 4.340 -0.004 0.000 0.210 185 L C 1.559 178.270 176.870 -0.265 0.000 1.092 185 L CA 2.296 56.902 54.840 -0.389 0.000 0.759 185 L CB -0.235 41.624 42.059 -0.334 0.000 0.903 185 L HN 0.388 nan 8.230 nan 0.000 0.435 186 G N -1.303 107.383 108.800 -0.191 0.000 2.144 186 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.218 186 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.218 186 G C 0.295 175.154 174.900 -0.069 0.000 0.988 186 G CA 0.220 45.221 45.100 -0.166 0.000 0.659 186 G HN 0.878 nan 8.290 nan 0.000 0.522 187 V N -0.434 119.449 119.914 -0.053 0.000 2.715 187 V HA 0.701 4.819 4.120 -0.004 0.000 0.299 187 V C 1.282 177.392 176.094 0.027 0.000 1.054 187 V CA 1.124 63.431 62.300 0.012 0.000 1.077 187 V CB 1.174 32.989 31.823 -0.013 0.000 0.972 187 V HN 0.937 nan 8.190 nan 0.000 0.484 188 T N 0.235 114.830 114.554 0.069 0.000 3.054 188 T HA 0.701 5.049 4.350 -0.004 0.000 0.255 188 T C 0.408 175.126 174.700 0.030 0.000 1.035 188 T CA 0.394 62.530 62.100 0.059 0.000 0.941 188 T CB 0.143 69.078 68.868 0.111 0.000 1.026 188 T HN 1.742 nan 8.240 nan 0.000 0.533 189 A N 0.749 123.594 122.820 0.041 0.000 2.589 189 A HA 0.698 5.016 4.320 -0.004 0.000 0.296 189 A C -2.075 175.524 177.584 0.025 0.000 1.062 189 A CA -0.807 51.254 52.037 0.041 0.000 0.686 189 A CB 1.195 20.286 19.000 0.152 0.000 1.282 189 A HN 0.186 nan 8.150 nan 0.000 0.404 190 L N 1.780 123.010 121.223 0.010 0.000 2.333 190 L HA 0.538 4.876 4.340 -0.004 0.000 0.280 190 L C -0.930 175.889 176.870 -0.085 0.000 1.004 190 L CA -0.340 54.427 54.840 -0.121 0.000 0.820 190 L CB 1.350 43.257 42.059 -0.253 0.000 1.247 190 L HN 0.692 nan 8.230 nan 0.000 0.416 191 Y N 4.551 124.704 120.300 -0.245 0.000 2.342 191 Y HA 0.620 5.168 4.550 -0.004 0.000 0.338 191 Y C -1.381 174.366 175.900 -0.256 0.000 0.965 191 Y CA -1.457 56.603 58.100 -0.067 0.000 1.159 191 Y CB 0.658 39.206 38.460 0.147 0.000 1.157 191 Y HN 0.385 nan 8.280 nan 0.000 0.486 192 F N 3.884 123.580 119.950 -0.424 0.000 2.422 192 F HA 0.457 4.982 4.527 -0.004 0.000 0.333 192 F C 0.954 176.297 175.800 -0.762 0.000 1.095 192 F CA -0.568 57.082 58.000 -0.584 0.000 1.038 192 F CB 1.545 40.327 39.000 -0.363 0.000 1.156 192 F HN 0.561 nan 8.300 nan 0.000 0.483 193 T N 0.429 114.662 114.554 -0.535 0.000 2.732 193 T HA 0.311 4.659 4.350 -0.004 0.000 0.287 193 T C -2.602 171.852 174.700 -0.409 0.000 0.993 193 T CA -1.848 60.011 62.100 -0.402 0.000 0.966 193 T CB 0.304 68.980 68.868 -0.320 0.000 1.047 193 T HN 0.272 nan 8.240 nan 0.000 0.527 194 P HA 0.046 nan 4.420 nan 0.000 0.264 194 P C 0.317 177.337 177.300 -0.467 0.000 1.183 194 P CA 0.020 62.769 63.100 -0.585 0.000 0.763 194 P CB 0.214 31.499 31.700 -0.692 0.000 0.807 195 I N -0.572 119.670 120.570 -0.547 0.000 4.390 195 I HA 0.291 4.459 4.170 -0.004 0.000 0.334 195 I C -0.223 175.909 176.117 0.024 0.000 1.379 195 I CA -0.829 60.342 61.300 -0.215 0.000 1.197 195 I CB -1.198 36.543 38.000 -0.432 0.000 1.396 195 I HN -0.004 nan 8.210 nan 0.000 0.511 196 F N 2.828 122.712 119.950 -0.111 0.000 2.406 196 F HA 0.603 5.128 4.527 -0.004 0.000 0.327 196 F C 1.562 177.351 175.800 -0.017 0.000 1.153 196 F CA -0.700 57.255 58.000 -0.075 0.000 1.218 196 F CB 0.895 39.825 39.000 -0.116 0.000 1.215 196 F HN 0.125 nan 8.300 nan 0.000 0.570 197 A N 2.399 125.353 122.820 0.224 0.000 2.566 197 A HA 0.291 4.609 4.320 -0.004 0.000 0.245 197 A C 0.120 177.753 177.584 0.082 0.000 1.056 197 A CA 0.445 52.552 52.037 0.116 0.000 0.757 197 A CB -0.113 18.953 19.000 0.109 0.000 0.979 197 A HN 0.619 nan 8.150 nan 0.000 0.508 198 S N 3.055 118.778 115.700 0.039 0.000 2.535 198 S HA 0.671 5.138 4.470 -0.004 0.000 0.272 198 S C -2.323 172.285 174.600 0.013 0.000 1.149 198 S CA -0.585 57.633 58.200 0.031 0.000 0.888 198 S CB 1.824 65.029 63.200 0.008 0.000 1.110 198 S HN 0.458 nan 8.310 nan 0.000 0.463 199 P HA 0.075 nan 4.420 nan 0.000 0.231 199 P C 0.647 177.981 177.300 0.057 0.000 1.168 199 P CA 0.307 63.436 63.100 0.048 0.000 0.779 199 P CB -0.076 31.665 31.700 0.069 0.000 0.844 200 S N -1.047 114.645 115.700 -0.013 0.000 2.686 200 S HA 0.171 4.639 4.470 -0.004 0.000 0.270 200 S C 1.213 175.842 174.600 0.048 0.000 1.194 200 S CA -0.412 57.747 58.200 -0.068 0.000 0.990 200 S CB -0.027 62.907 63.200 -0.444 0.000 1.029 200 S HN 0.139 nan 8.310 nan 0.000 0.560 201 H N -0.019 118.992 119.070 -0.099 0.000 2.415 201 H HA -0.027 4.527 4.556 -0.004 0.000 0.297 201 H C 2.061 177.444 175.328 0.092 0.000 1.048 201 H CA 1.659 57.741 56.048 0.056 0.000 1.365 201 H CB -0.101 29.675 29.762 0.023 0.000 1.421 201 H HN 0.961 nan 8.280 nan 0.000 0.533 202 H N 0.144 119.421 119.070 0.345 0.000 2.470 202 H HA 0.110 4.664 4.556 -0.004 0.000 0.289 202 H C 0.694 176.183 175.328 0.268 0.000 1.033 202 H CA 0.605 56.883 56.048 0.383 0.000 1.331 202 H CB 0.082 30.117 29.762 0.455 0.000 1.414 202 H HN -0.089 nan 8.280 nan 0.000 0.545 203 K N -1.243 119.141 120.400 -0.026 0.000 3.160 203 K HA -0.236 4.082 4.320 -0.004 0.000 0.280 203 K C -0.559 176.070 176.600 0.049 0.000 1.154 203 K CA 0.906 57.192 56.287 -0.001 0.000 0.822 203 K CB -2.563 29.936 32.500 -0.002 0.000 1.239 203 K HN 0.580 nan 8.250 nan 0.000 0.489 204 Y N 0.426 120.993 120.300 0.446 0.000 2.466 204 Y HA 0.040 4.588 4.550 -0.003 0.000 0.272 204 Y C 0.668 176.721 175.900 0.256 0.000 1.169 204 Y CA 0.235 58.509 58.100 0.289 0.000 1.285 204 Y CB 0.502 39.082 38.460 0.199 0.000 1.078 204 Y HN 0.184 nan 8.280 nan 0.000 0.523 205 D N -0.354 120.266 120.400 0.367 0.000 2.590 205 D HA 0.076 4.714 4.640 -0.004 0.000 0.280 205 D C -0.352 176.025 176.300 0.129 0.000 1.197 205 D CA -0.357 53.801 54.000 0.264 0.000 0.967 205 D CB -0.181 40.784 40.800 0.276 0.000 0.987 205 D HN -0.117 nan 8.370 nan 0.000 0.508 206 T N 0.745 115.315 114.554 0.026 0.000 2.800 206 T HA 0.236 4.584 4.350 -0.004 0.000 0.283 206 T C 1.355 176.064 174.700 0.013 0.000 0.999 206 T CA 0.275 62.291 62.100 -0.140 0.000 1.176 206 T CB 1.231 69.652 68.868 -0.745 0.000 0.973 206 T HN 0.501 nan 8.240 nan 0.000 0.519 207 A N 2.842 125.718 122.820 0.093 0.000 1.973 207 A HA 0.226 4.543 4.320 -0.004 0.000 0.210 207 A C 0.932 178.705 177.584 0.315 0.000 1.200 207 A CA 0.223 52.393 52.037 0.221 0.000 0.707 207 A CB 0.359 19.453 19.000 0.157 0.000 0.862 207 A HN 0.699 nan 8.150 nan 0.000 0.461 208 D N -1.927 118.603 120.400 0.216 0.000 2.479 208 D HA 0.365 5.003 4.640 -0.004 0.000 0.246 208 D C -0.501 175.914 176.300 0.192 0.000 1.336 208 D CA -0.556 53.610 54.000 0.276 0.000 0.967 208 D CB 0.432 41.339 40.800 0.179 0.000 1.275 208 D HN 0.154 nan 8.370 nan 0.000 0.577 209 Y N 1.950 122.425 120.300 0.292 0.000 2.497 209 Y HA 0.058 4.606 4.550 -0.004 0.000 0.292 209 Y C 1.776 177.625 175.900 -0.085 0.000 1.137 209 Y CA 0.814 58.974 58.100 0.099 0.000 1.285 209 Y CB 0.216 38.854 38.460 0.296 0.000 0.991 209 Y HN 0.415 nan 8.280 nan 0.000 0.556 210 L N -0.748 120.520 121.223 0.074 0.000 2.741 210 L HA 0.428 4.766 4.340 -0.004 0.000 0.237 210 L C 0.411 177.200 176.870 -0.135 0.000 1.178 210 L CA -0.297 54.374 54.840 -0.281 0.000 0.973 210 L CB -0.156 41.549 42.059 -0.590 0.000 1.255 210 L HN 0.012 nan 8.230 nan 0.000 0.498 211 A N 0.268 123.185 122.820 0.161 0.000 2.486 211 A HA 0.645 4.963 4.320 -0.004 0.000 0.300 211 A C -0.575 177.215 177.584 0.343 0.000 1.048 211 A CA -0.516 51.662 52.037 0.234 0.000 0.696 211 A CB 1.707 20.776 19.000 0.115 0.000 1.278 211 A HN -0.068 nan 8.150 nan 0.000 0.405 212 I N 2.048 122.837 120.570 0.364 0.000 2.575 212 I HA 0.081 4.249 4.170 -0.004 0.000 0.285 212 I C 0.644 176.887 176.117 0.211 0.000 1.085 212 I CA 0.086 61.561 61.300 0.293 0.000 1.403 212 I CB 0.829 38.978 38.000 0.248 0.000 1.409 212 I HN 0.739 nan 8.210 nan 0.000 0.557 213 D N 7.937 128.459 120.400 0.203 0.000 2.458 213 D HA 0.028 4.666 4.640 -0.004 0.000 0.243 213 D C -1.695 174.603 176.300 -0.003 0.000 1.146 213 D CA -1.188 52.847 54.000 0.058 0.000 0.877 213 D CB 1.873 42.631 40.800 -0.069 0.000 1.176 213 D HN 0.218 nan 8.370 nan 0.000 0.461 214 P HA -0.206 nan 4.420 nan 0.000 0.216 214 P C 1.274 178.511 177.300 -0.105 0.000 1.150 214 P CA 1.536 64.609 63.100 -0.045 0.000 0.843 214 P CB 0.004 31.674 31.700 -0.050 0.000 0.787 215 Q N -1.955 117.690 119.800 -0.258 0.000 2.364 215 Q HA -0.112 4.226 4.340 -0.004 0.000 0.207 215 Q C 1.109 176.983 176.000 -0.210 0.000 0.970 215 Q CA 1.305 56.910 55.803 -0.329 0.000 0.888 215 Q CB -0.635 27.776 28.738 -0.544 0.000 0.951 215 Q HN 0.178 nan 8.270 nan 0.000 0.469 216 F N 0.201 120.135 119.950 -0.027 0.000 2.582 216 F HA 0.468 4.992 4.527 -0.004 0.000 0.290 216 F C 1.385 177.187 175.800 0.004 0.000 1.115 216 F CA 0.485 58.475 58.000 -0.017 0.000 1.445 216 F CB 0.725 39.700 39.000 -0.042 0.000 1.126 216 F HN 0.293 nan 8.300 nan 0.000 0.574 217 G N -0.357 108.555 108.800 0.186 0.000 2.373 217 G HA2 0.325 4.283 3.960 -0.004 0.000 0.250 217 G HA3 0.325 4.283 3.960 -0.004 0.000 0.250 217 G C -2.079 172.901 174.900 0.134 0.000 1.304 217 G CA -0.282 44.900 45.100 0.138 0.000 0.948 217 G HN 0.130 nan 8.290 nan 0.000 0.474 218 D N -1.558 118.930 120.400 0.146 0.000 2.652 218 D HA 0.595 5.232 4.640 -0.004 0.000 0.285 218 D C 1.088 177.515 176.300 0.213 0.000 1.173 218 D CA -0.589 53.504 54.000 0.155 0.000 0.981 218 D CB 0.894 41.757 40.800 0.106 0.000 1.440 218 D HN 0.747 nan 8.370 nan 0.000 0.485 219 L N -0.009 121.342 121.223 0.213 0.000 2.046 219 L HA 0.083 4.421 4.340 -0.004 0.000 0.208 219 L C -1.097 175.903 176.870 0.217 0.000 1.077 219 L CA 1.978 56.972 54.840 0.258 0.000 0.747 219 L CB -1.495 40.682 42.059 0.197 0.000 0.896 219 L HN 0.357 nan 8.230 nan 0.000 0.432 220 P HA -0.109 nan 4.420 nan 0.000 0.216 220 P C 1.540 178.886 177.300 0.077 0.000 1.150 220 P CA 1.780 64.930 63.100 0.084 0.000 0.837 220 P CB -0.089 31.645 31.700 0.056 0.000 0.786 221 T N -1.102 113.512 114.554 0.100 0.000 2.777 221 T HA -0.129 4.219 4.350 -0.004 0.000 0.266 221 T C 1.448 176.193 174.700 0.075 0.000 1.040 221 T CA 0.885 63.028 62.100 0.072 0.000 1.141 221 T CB -1.002 67.915 68.868 0.082 0.000 0.868 221 T HN 0.019 nan 8.240 nan 0.000 0.444 222 F N 2.641 122.603 119.950 0.021 0.000 2.126 222 F HA -0.118 4.407 4.527 -0.004 0.000 0.299 222 F C 2.413 178.200 175.800 -0.021 0.000 1.096 222 F CA 1.240 59.242 58.000 0.003 0.000 1.255 222 F CB -0.122 38.948 39.000 0.116 0.000 0.997 222 F HN -0.121 nan 8.300 nan 0.000 0.479 223 R N 0.171 120.670 120.500 -0.001 0.000 2.091 223 R HA -0.184 4.154 4.340 -0.004 0.000 0.238 223 R C 2.327 178.507 176.300 -0.200 0.000 1.136 223 R CA 1.528 57.556 56.100 -0.121 0.000 0.959 223 R CB -0.848 29.448 30.300 -0.007 0.000 0.856 223 R HN 0.221 nan 8.270 nan 0.000 0.437 224 R N 1.292 121.715 120.500 -0.127 0.000 2.083 224 R HA -0.142 4.196 4.340 -0.004 0.000 0.237 224 R C 2.247 178.436 176.300 -0.185 0.000 1.137 224 R CA 1.286 57.313 56.100 -0.121 0.000 0.951 224 R CB -0.911 29.347 30.300 -0.069 0.000 0.851 224 R HN 0.171 nan 8.270 nan 0.000 0.434 225 L N -0.123 120.958 121.223 -0.237 0.000 2.042 225 L HA -0.126 4.212 4.340 -0.004 0.000 0.210 225 L C 2.011 178.656 176.870 -0.375 0.000 1.076 225 L CA 1.674 56.352 54.840 -0.270 0.000 0.749 225 L CB -0.604 41.273 42.059 -0.303 0.000 0.893 225 L HN 0.099 nan 8.230 nan 0.000 0.432 226 V N 0.040 119.613 119.914 -0.568 0.000 2.287 226 V HA -0.315 3.803 4.120 -0.004 0.000 0.248 226 V C 2.339 178.035 176.094 -0.664 0.000 1.053 226 V CA 2.101 63.988 62.300 -0.687 0.000 1.027 226 V CB -0.857 30.559 31.823 -0.677 0.000 0.646 226 V HN 0.469 nan 8.190 nan 0.000 0.447 227 D N -0.411 119.758 120.400 -0.385 0.000 2.097 227 D HA -0.119 4.519 4.640 -0.004 0.000 0.197 227 D C 2.303 178.521 176.300 -0.135 0.000 0.984 227 D CA 1.042 54.913 54.000 -0.214 0.000 0.826 227 D CB -0.269 40.455 40.800 -0.127 0.000 0.973 227 D HN 0.410 nan 8.370 nan 0.000 0.460 228 E N 0.751 120.870 120.200 -0.134 0.000 2.153 228 E HA -0.091 4.257 4.350 -0.004 0.000 0.194 228 E C 2.028 178.588 176.600 -0.066 0.000 0.988 228 E CA 0.713 57.064 56.400 -0.082 0.000 0.811 228 E CB -0.217 29.438 29.700 -0.075 0.000 0.746 228 E HN 0.219 nan 8.360 nan 0.000 0.466 229 A N 0.990 123.747 122.820 -0.106 0.000 1.873 229 A HA -0.177 4.141 4.320 -0.004 0.000 0.215 229 A C 1.939 179.536 177.584 0.022 0.000 1.186 229 A CA 1.440 53.443 52.037 -0.056 0.000 0.616 229 A CB -0.932 18.016 19.000 -0.086 0.000 0.823 229 A HN 0.333 nan 8.150 nan 0.000 0.442 230 H N 0.001 119.010 119.070 -0.102 0.000 2.319 230 H HA -0.160 4.393 4.556 -0.004 0.000 0.297 230 H C 2.236 177.512 175.328 -0.086 0.000 1.097 230 H CA 1.385 57.368 56.048 -0.109 0.000 1.285 230 H CB -0.055 29.639 29.762 -0.113 0.000 1.368 230 H HN 0.585 nan 8.280 nan 0.000 0.495 231 R N 0.935 121.473 120.500 0.064 0.000 2.328 231 R HA -0.041 4.297 4.340 -0.004 0.000 0.207 231 R C 1.455 177.754 176.300 -0.003 0.000 1.056 231 R CA 0.860 56.968 56.100 0.013 0.000 1.016 231 R CB -0.018 30.281 30.300 -0.001 0.000 0.872 231 R HN 0.088 nan 8.270 nan 0.000 0.471 232 R N 0.186 120.687 120.500 0.001 0.000 2.362 232 R HA 0.160 4.498 4.340 -0.004 0.000 0.227 232 R C 0.616 176.907 176.300 -0.015 0.000 0.905 232 R CA 0.671 56.765 56.100 -0.010 0.000 1.067 232 R CB 0.596 30.890 30.300 -0.011 0.000 1.078 232 R HN 0.509 nan 8.270 nan 0.000 0.516 233 G N 0.636 109.424 108.800 -0.020 0.000 2.147 233 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.244 233 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.244 233 G C -0.044 174.828 174.900 -0.046 0.000 1.005 233 G CA 0.195 45.269 45.100 -0.043 0.000 0.713 233 G HN 0.264 nan 8.290 nan 0.000 0.515 234 I N 0.455 121.013 120.570 -0.021 0.000 2.362 234 I HA 0.363 4.530 4.170 -0.004 0.000 0.289 234 I C 0.540 176.668 176.117 0.018 0.000 0.994 234 I CA -0.777 60.513 61.300 -0.017 0.000 1.158 234 I CB 1.469 39.462 38.000 -0.011 0.000 1.315 234 I HN -0.036 nan 8.210 nan 0.000 0.451 235 K N 5.430 125.784 120.400 -0.077 0.000 2.109 235 K HA 0.664 4.982 4.320 -0.004 0.000 0.243 235 K C -0.987 175.627 176.600 0.023 0.000 1.006 235 K CA -0.780 55.458 56.287 -0.082 0.000 0.917 235 K CB 1.573 33.781 32.500 -0.487 0.000 1.081 235 K HN 0.309 nan 8.250 nan 0.000 0.468 236 I N 1.928 122.542 120.570 0.073 0.000 2.436 236 I HA 0.254 4.422 4.170 -0.004 0.000 0.289 236 I C -0.850 175.371 176.117 0.174 0.000 1.010 236 I CA -0.416 60.977 61.300 0.155 0.000 1.098 236 I CB 1.449 39.505 38.000 0.093 0.000 1.266 236 I HN 0.330 nan 8.210 nan 0.000 0.434 237 I N 6.938 127.670 120.570 0.271 0.000 2.406 237 I HA 0.443 4.610 4.170 -0.004 0.000 0.290 237 I C -0.271 176.022 176.117 0.293 0.000 0.999 237 I CA -0.550 60.913 61.300 0.272 0.000 1.124 237 I CB 1.324 39.596 38.000 0.454 0.000 1.289 237 I HN 0.334 nan 8.210 nan 0.000 0.441 238 L N 4.263 125.528 121.223 0.070 0.000 2.334 238 L HA 0.453 4.790 4.340 -0.004 0.000 0.272 238 L C 0.205 177.156 176.870 0.134 0.000 1.020 238 L CA -0.782 54.062 54.840 0.006 0.000 0.812 238 L CB 1.736 43.644 42.059 -0.252 0.000 1.264 238 L HN 0.472 nan 8.230 nan 0.000 0.439 239 D N 1.772 122.186 120.400 0.022 0.000 2.295 239 D HA 0.358 4.996 4.640 -0.004 0.000 0.248 239 D C -0.608 175.663 176.300 -0.048 0.000 1.154 239 D CA -0.060 53.971 54.000 0.053 0.000 0.857 239 D CB 1.736 42.521 40.800 -0.025 0.000 1.117 239 D HN 0.555 nan 8.370 nan 0.000 0.468 240 A N 3.898 126.700 122.820 -0.028 0.000 2.249 240 A HA 0.419 4.737 4.320 -0.004 0.000 0.314 240 A C -0.233 177.083 177.584 -0.446 0.000 1.290 240 A CA -0.648 51.162 52.037 -0.379 0.000 0.893 240 A CB 0.835 19.306 19.000 -0.880 0.000 1.165 240 A HN 0.375 nan 8.150 nan 0.000 0.530 241 V N 4.374 124.154 119.914 -0.223 0.000 2.192 241 V HA 0.167 4.285 4.120 -0.004 0.000 0.264 241 V C -0.175 175.993 176.094 0.124 0.000 1.155 241 V CA 0.007 62.253 62.300 -0.089 0.000 1.005 241 V CB -0.825 30.977 31.823 -0.035 0.000 1.201 241 V HN 0.840 nan 8.190 nan 0.000 0.468 242 F N 0.709 120.644 119.950 -0.025 0.000 2.776 242 F HA 0.140 4.665 4.527 -0.004 0.000 0.300 242 F C 2.059 177.699 175.800 -0.266 0.000 1.116 242 F CA -0.094 57.809 58.000 -0.161 0.000 1.375 242 F CB -0.527 38.332 39.000 -0.236 0.000 1.109 242 F HN 0.457 nan 8.300 nan 0.000 0.585 243 N N 0.461 119.127 118.700 -0.058 0.000 2.270 243 N HA -0.128 4.610 4.740 -0.004 0.000 0.181 243 N C -0.263 175.278 175.510 0.051 0.000 1.016 243 N CA 0.898 53.925 53.050 -0.039 0.000 0.870 243 N CB 0.055 38.588 38.487 0.077 0.000 0.979 243 N HN 0.410 nan 8.380 nan 0.000 0.431 244 H N -2.561 116.594 119.070 0.142 0.000 3.016 244 H HA 0.751 5.304 4.556 -0.004 0.000 0.362 244 H C -1.160 174.276 175.328 0.180 0.000 1.233 244 H CA -0.846 55.297 56.048 0.157 0.000 1.124 244 H CB 1.240 31.114 29.762 0.186 0.000 1.850 244 H HN 0.069 nan 8.280 nan 0.000 0.549 245 A N 0.895 123.889 122.820 0.289 0.000 2.312 245 A HA 0.850 5.167 4.320 -0.004 0.000 0.310 245 A C 0.421 178.129 177.584 0.207 0.000 1.139 245 A CA -0.530 51.629 52.037 0.203 0.000 0.886 245 A CB 0.705 19.686 19.000 -0.031 0.000 1.350 245 A HN 1.077 nan 8.150 nan 0.000 0.479 246 G N -1.073 107.835 108.800 0.180 0.000 2.502 246 G HA2 0.425 4.383 3.960 -0.004 0.000 0.305 246 G HA3 0.425 4.383 3.960 -0.004 0.000 0.305 246 G C 0.039 175.014 174.900 0.124 0.000 1.190 246 G CA 0.355 45.551 45.100 0.160 0.000 0.933 246 G HN 0.735 nan 8.290 nan 0.000 0.503 247 D N -1.074 119.374 120.400 0.080 0.000 2.378 247 D HA -0.079 4.559 4.640 -0.004 0.000 0.227 247 D C 1.620 178.116 176.300 0.328 0.000 1.012 247 D CA 0.570 54.663 54.000 0.156 0.000 0.905 247 D CB 0.276 41.201 40.800 0.209 0.000 0.895 247 D HN 0.322 nan 8.370 nan 0.000 0.532 248 Q N -1.144 118.813 119.800 0.261 0.000 2.356 248 Q HA 0.212 4.549 4.340 -0.004 0.000 0.205 248 Q C -0.370 175.812 176.000 0.303 0.000 0.901 248 Q CA -0.428 55.516 55.803 0.235 0.000 0.938 248 Q CB -0.146 28.702 28.738 0.183 0.000 1.081 248 Q HN 0.268 nan 8.270 nan 0.000 0.517 249 F N 1.272 121.343 119.950 0.202 0.000 2.612 249 F HA -0.067 4.458 4.527 -0.004 0.000 0.389 249 F C 0.975 176.868 175.800 0.155 0.000 1.055 249 F CA -0.809 57.340 58.000 0.248 0.000 1.232 249 F CB 0.135 39.318 39.000 0.306 0.000 1.044 249 F HN 0.217 nan 8.300 nan 0.000 0.560 250 F N 4.924 124.648 119.950 -0.377 0.000 2.087 250 F HA -0.221 4.303 4.527 -0.004 0.000 0.299 250 F C 1.832 177.248 175.800 -0.639 0.000 1.100 250 F CA 1.774 59.494 58.000 -0.468 0.000 1.226 250 F CB -1.308 37.413 39.000 -0.465 0.000 0.983 250 F HN 0.425 nan 8.300 nan 0.000 0.479 251 A N 0.265 121.537 122.820 -2.580 0.000 1.908 251 A HA -0.160 4.158 4.320 -0.004 0.000 0.218 251 A C 2.180 179.453 177.584 -0.519 0.000 1.181 251 A CA 1.659 52.570 52.037 -1.877 0.000 0.627 251 A CB -1.612 16.349 19.000 -1.732 0.000 0.818 251 A HN 0.576 nan 8.150 nan 0.000 0.445 252 F N 0.436 120.193 119.950 -0.321 0.000 2.186 252 F HA -0.071 4.454 4.527 -0.004 0.000 0.299 252 F C 2.398 177.993 175.800 -0.341 0.000 1.090 252 F CA 1.453 59.166 58.000 -0.478 0.000 1.307 252 F CB -0.228 38.518 39.000 -0.424 0.000 1.019 252 F HN 0.105 nan 8.300 nan 0.000 0.489 253 R N 0.009 120.388 120.500 -0.201 0.000 2.091 253 R HA -0.212 4.125 4.340 -0.004 0.000 0.238 253 R C 2.183 178.332 176.300 -0.252 0.000 1.136 253 R CA 1.688 57.669 56.100 -0.198 0.000 0.959 253 R CB -0.834 29.426 30.300 -0.066 0.000 0.856 253 R HN 0.386 nan 8.270 nan 0.000 0.437 254 D N 0.181 120.426 120.400 -0.258 0.000 2.178 254 D HA -0.115 4.523 4.640 -0.004 0.000 0.201 254 D C 1.658 177.847 176.300 -0.185 0.000 0.980 254 D CA 1.061 54.957 54.000 -0.173 0.000 0.842 254 D CB 0.351 41.076 40.800 -0.124 0.000 0.948 254 D HN 0.037 nan 8.370 nan 0.000 0.472 255 V N 1.105 120.843 119.914 -0.293 0.000 2.453 255 V HA -0.159 3.958 4.120 -0.004 0.000 0.247 255 V C 2.691 178.577 176.094 -0.347 0.000 1.048 255 V CA 0.709 62.838 62.300 -0.285 0.000 1.049 255 V CB -0.303 31.296 31.823 -0.374 0.000 0.672 255 V HN 0.236 nan 8.190 nan 0.000 0.457 256 L N -0.484 120.422 121.223 -0.528 0.000 2.141 256 L HA -0.190 4.148 4.340 -0.004 0.000 0.209 256 L C 2.620 179.375 176.870 -0.193 0.000 1.094 256 L CA 1.538 56.136 54.840 -0.403 0.000 0.763 256 L CB -0.238 41.560 42.059 -0.435 0.000 0.908 256 L HN 0.430 nan 8.230 nan 0.000 0.437 257 Q N -0.862 118.838 119.800 -0.166 0.000 2.226 257 Q HA -0.073 4.265 4.340 -0.004 0.000 0.199 257 Q C 1.709 177.662 176.000 -0.077 0.000 0.945 257 Q CA 0.720 56.464 55.803 -0.098 0.000 0.861 257 Q CB 0.234 28.923 28.738 -0.083 0.000 0.953 257 Q HN 0.322 nan 8.270 nan 0.000 0.490 258 K N 0.246 120.594 120.400 -0.087 0.000 2.374 258 K HA 0.110 4.428 4.320 -0.004 0.000 0.196 258 K C 0.968 177.517 176.600 -0.086 0.000 1.023 258 K CA 0.408 56.648 56.287 -0.078 0.000 1.103 258 K CB 0.652 33.106 32.500 -0.077 0.000 0.848 258 K HN 0.274 nan 8.250 nan 0.000 0.528 259 G N 2.606 111.369 108.800 -0.062 0.000 2.698 259 G HA2 -0.460 3.497 3.960 -0.004 0.000 0.337 259 G HA3 -0.460 3.497 3.960 -0.004 0.000 0.337 259 G C 0.890 175.682 174.900 -0.179 0.000 1.286 259 G CA 1.184 46.284 45.100 0.001 0.000 1.000 259 G HN 0.420 nan 8.290 nan 0.000 0.547 260 E N -0.139 119.771 120.200 -0.483 0.000 2.209 260 E HA -0.099 4.249 4.350 -0.004 0.000 0.196 260 E C 2.481 178.843 176.600 -0.397 0.000 0.993 260 E CA 2.158 58.064 56.400 -0.823 0.000 0.819 260 E CB -0.190 29.065 29.700 -0.743 0.000 0.745 260 E HN 0.528 nan 8.360 nan 0.000 0.477 261 Q N -0.338 119.316 119.800 -0.243 0.000 2.425 261 Q HA 0.190 4.527 4.340 -0.004 0.000 0.204 261 Q C 0.195 176.108 176.000 -0.145 0.000 0.933 261 Q CA 0.217 55.919 55.803 -0.167 0.000 0.939 261 Q CB 0.370 29.034 28.738 -0.123 0.000 1.044 261 Q HN 0.048 nan 8.270 nan 0.000 0.513 262 S N 0.119 115.737 115.700 -0.137 0.000 2.549 262 S HA 0.018 4.485 4.470 -0.004 0.000 0.286 262 S C 1.121 175.627 174.600 -0.157 0.000 1.314 262 S CA -0.333 57.803 58.200 -0.107 0.000 1.062 262 S CB 0.664 63.831 63.200 -0.055 0.000 0.865 262 S HN 0.216 nan 8.310 nan 0.000 0.498 263 R N 3.709 124.053 120.500 -0.260 0.000 2.235 263 R HA 0.059 4.396 4.340 -0.004 0.000 0.213 263 R C 0.254 176.125 176.300 -0.716 0.000 1.059 263 R CA 1.597 57.400 56.100 -0.494 0.000 0.997 263 R CB -0.383 29.508 30.300 -0.682 0.000 0.884 263 R HN 0.815 nan 8.270 nan 0.000 0.462 264 Y N 0.400 120.486 120.300 -0.357 0.000 2.658 264 Y HA 0.211 4.759 4.550 -0.004 0.000 0.276 264 Y C 1.274 177.140 175.900 -0.058 0.000 1.167 264 Y CA -0.355 57.394 58.100 -0.585 0.000 1.230 264 Y CB 0.126 38.002 38.460 -0.974 0.000 1.144 264 Y HN 0.086 nan 8.280 nan 0.000 0.529 265 K N -0.575 119.899 120.400 0.125 0.000 2.152 265 K HA -0.162 4.156 4.320 -0.004 0.000 0.206 265 K C 0.273 177.073 176.600 0.333 0.000 1.048 265 K CA 1.985 58.438 56.287 0.275 0.000 0.933 265 K CB -0.088 32.531 32.500 0.198 0.000 0.721 265 K HN 0.131 nan 8.250 nan 0.000 0.447 266 D N -0.373 120.177 120.400 0.251 0.000 2.319 266 D HA -0.022 4.616 4.640 -0.004 0.000 0.230 266 D C 0.290 176.704 176.300 0.191 0.000 1.094 266 D CA 0.267 54.377 54.000 0.184 0.000 0.856 266 D CB -0.040 40.831 40.800 0.118 0.000 0.915 266 D HN 0.373 nan 8.370 nan 0.000 0.517 267 W N -0.084 121.142 121.300 -0.124 0.000 3.197 267 W HA 0.203 4.860 4.660 -0.004 0.000 0.274 267 W C 0.195 176.209 176.519 -0.842 0.000 1.297 267 W CA -0.232 56.828 57.345 -0.476 0.000 1.662 267 W CB -0.051 29.075 29.460 -0.556 0.000 1.106 267 W HN -0.194 nan 8.180 nan 0.000 0.663 268 F N -2.084 117.958 119.950 0.153 0.000 2.706 268 F HA 0.452 4.977 4.527 -0.004 0.000 0.328 268 F C -0.723 175.023 175.800 -0.091 0.000 1.123 268 F CA -1.749 56.317 58.000 0.110 0.000 0.978 268 F CB 0.392 39.547 39.000 0.258 0.000 1.404 268 F HN -0.532 nan 8.300 nan 0.000 0.497 269 F N 2.302 122.471 119.950 0.366 0.000 2.300 269 F HA 0.473 4.998 4.527 -0.003 0.000 0.364 269 F C -0.338 175.599 175.800 0.229 0.000 1.090 269 F CA -0.320 57.822 58.000 0.236 0.000 1.200 269 F CB 0.266 39.373 39.000 0.179 0.000 1.493 269 F HN 0.015 nan 8.300 nan 0.000 0.518 270 I N 2.503 123.230 120.570 0.262 0.000 2.315 270 I HA 0.219 4.387 4.170 -0.004 0.000 0.291 270 I C 0.847 176.958 176.117 -0.010 0.000 1.006 270 I CA -0.304 61.051 61.300 0.091 0.000 1.265 270 I CB 1.581 39.492 38.000 -0.148 0.000 1.387 270 I HN 0.420 nan 8.210 nan 0.000 0.475 271 E N 3.123 123.316 120.200 -0.011 0.000 2.006 271 E HA -0.040 4.308 4.350 -0.004 0.000 0.192 271 E C -0.236 176.303 176.600 -0.101 0.000 0.993 271 E CA 1.383 57.772 56.400 -0.019 0.000 0.808 271 E CB 0.257 29.954 29.700 -0.004 0.000 0.764 271 E HN 0.553 nan 8.360 nan 0.000 0.449 272 D N -2.266 118.007 120.400 -0.212 0.000 2.579 272 D HA 0.297 4.935 4.640 -0.004 0.000 0.257 272 D C -0.930 175.109 176.300 -0.434 0.000 1.176 272 D CA -0.535 53.340 54.000 -0.209 0.000 0.914 272 D CB 1.181 41.966 40.800 -0.024 0.000 1.431 272 D HN -0.112 nan 8.370 nan 0.000 0.454 273 F N 0.575 120.555 119.950 0.050 0.000 2.538 273 F HA 0.402 4.927 4.527 -0.003 0.000 0.325 273 F C -1.396 174.419 175.800 0.025 0.000 1.066 273 F CA -1.485 56.536 58.000 0.035 0.000 0.946 273 F CB 0.504 39.514 39.000 0.018 0.000 1.199 273 F HN -0.050 nan 8.300 nan 0.000 0.473 274 P HA 0.013 nan 4.420 nan 0.000 0.267 274 P C 0.573 177.936 177.300 0.104 0.000 1.200 274 P CA -0.203 63.004 63.100 0.179 0.000 0.772 274 P CB 1.043 32.801 31.700 0.097 0.000 0.855 275 V N -0.663 119.318 119.914 0.110 0.000 3.504 275 V HA 0.068 4.186 4.120 -0.004 0.000 0.273 275 V C 0.674 176.853 176.094 0.142 0.000 1.228 275 V CA 1.178 63.489 62.300 0.019 0.000 1.189 275 V CB -1.452 30.322 31.823 -0.082 0.000 0.881 275 V HN 0.763 nan 8.190 nan 0.000 0.529 276 S N -0.613 115.159 115.700 0.120 0.000 2.683 276 S HA 0.595 5.062 4.470 -0.004 0.000 0.264 276 S C -1.417 173.234 174.600 0.084 0.000 1.066 276 S CA -0.342 57.956 58.200 0.164 0.000 0.846 276 S CB 1.532 64.869 63.200 0.228 0.000 1.114 276 S HN 0.981 nan 8.310 nan 0.000 0.476 277 K N -0.677 119.768 120.400 0.075 0.000 2.809 277 K HA 0.348 4.666 4.320 -0.004 0.000 0.293 277 K C -1.357 175.267 176.600 0.039 0.000 1.061 277 K CA -0.781 55.533 56.287 0.045 0.000 0.837 277 K CB -0.076 32.440 32.500 0.026 0.000 1.524 277 K HN 0.689 nan 8.250 nan 0.000 0.370 278 T N -0.566 114.005 114.554 0.028 0.000 2.761 278 T HA 0.133 4.481 4.350 -0.004 0.000 0.287 278 T C 0.730 175.438 174.700 0.013 0.000 0.931 278 T CA 0.586 62.701 62.100 0.025 0.000 1.164 278 T CB 0.492 69.372 68.868 0.020 0.000 0.876 278 T HN 1.045 nan 8.240 nan 0.000 0.534 279 S N 1.284 116.993 115.700 0.016 0.000 2.929 279 S HA -0.216 4.252 4.470 -0.004 0.000 0.271 279 S C 0.309 174.899 174.600 -0.017 0.000 1.295 279 S CA 1.352 59.553 58.200 0.003 0.000 1.277 279 S CB -0.712 62.488 63.200 0.000 0.000 1.557 279 S HN 1.154 nan 8.310 nan 0.000 0.666 280 R N 1.398 121.884 120.500 -0.023 0.000 2.686 280 R HA 0.686 5.024 4.340 -0.004 0.000 0.286 280 R C -0.564 175.676 176.300 -0.101 0.000 0.969 280 R CA 0.310 56.377 56.100 -0.055 0.000 0.898 280 R CB 1.852 32.129 30.300 -0.039 0.000 1.183 280 R HN 0.315 nan 8.270 nan 0.000 0.456 281 T N 0.793 115.235 114.554 -0.186 0.000 2.824 281 T HA 0.381 4.728 4.350 -0.004 0.000 0.282 281 T C -0.114 174.384 174.700 -0.337 0.000 0.993 281 T CA -0.899 60.960 62.100 -0.402 0.000 0.967 281 T CB 1.127 69.637 68.868 -0.596 0.000 0.960 281 T HN 0.660 nan 8.240 nan 0.000 0.441 282 N N 1.397 119.906 118.700 -0.317 0.000 2.275 282 N HA 0.146 4.884 4.740 -0.004 0.000 0.236 282 N C -0.632 174.871 175.510 -0.011 0.000 1.154 282 N CA -0.515 52.463 53.050 -0.120 0.000 0.866 282 N CB -0.113 38.346 38.487 -0.046 0.000 1.093 282 N HN 0.846 nan 8.380 nan 0.000 0.515 283 Y N -2.011 118.312 120.300 0.039 0.000 2.553 283 Y HA 0.570 5.118 4.550 -0.003 0.000 0.347 283 Y C -0.095 175.865 175.900 0.100 0.000 1.019 283 Y CA -1.547 56.610 58.100 0.095 0.000 1.032 283 Y CB 0.756 39.311 38.460 0.157 0.000 1.284 283 Y HN -0.174 nan 8.280 nan 0.000 0.466 284 E N 1.393 121.796 120.200 0.338 0.000 2.392 284 E HA 0.389 4.737 4.350 -0.004 0.000 0.264 284 E C -0.395 176.362 176.600 0.262 0.000 1.024 284 E CA 0.382 56.892 56.400 0.185 0.000 0.903 284 E CB 0.811 30.552 29.700 0.067 0.000 0.963 284 E HN 0.884 nan 8.360 nan 0.000 0.432 285 T N 0.559 115.184 114.554 0.119 0.000 2.778 285 T HA 0.318 4.666 4.350 -0.004 0.000 0.293 285 T C -0.450 174.284 174.700 0.056 0.000 1.144 285 T CA -0.897 61.285 62.100 0.137 0.000 1.010 285 T CB 0.375 69.305 68.868 0.103 0.000 1.325 285 T HN 0.398 nan 8.240 nan 0.000 0.515 286 F N 2.213 122.081 119.950 -0.137 0.000 2.563 286 F HA 0.407 4.932 4.527 -0.004 0.000 0.363 286 F C 1.241 176.964 175.800 -0.128 0.000 1.123 286 F CA 0.878 58.742 58.000 -0.226 0.000 1.307 286 F CB -0.293 38.340 39.000 -0.612 0.000 1.115 286 F HN 1.330 nan 8.300 nan 0.000 0.592 287 A N 2.836 125.039 122.820 -1.028 0.000 5.391 287 A HA -0.264 4.054 4.320 -0.004 0.000 0.315 287 A C -0.519 176.850 177.584 -0.359 0.000 1.874 287 A CA 1.080 52.643 52.037 -0.791 0.000 0.714 287 A CB -2.027 16.380 19.000 -0.988 0.000 1.335 287 A HN 1.291 nan 8.150 nan 0.000 0.382 288 V N 0.605 120.359 119.914 -0.266 0.000 2.483 288 V HA 0.580 4.697 4.120 -0.004 0.000 0.297 288 V C 0.129 176.153 176.094 -0.117 0.000 1.027 288 V CA 0.406 62.609 62.300 -0.162 0.000 0.855 288 V CB 1.150 32.893 31.823 -0.134 0.000 0.995 288 V HN 1.026 nan 8.190 nan 0.000 0.424 289 Q N 2.130 121.867 119.800 -0.106 0.000 2.453 289 Q HA -0.143 4.195 4.340 -0.004 0.000 0.330 289 Q C -0.460 175.506 176.000 -0.056 0.000 1.417 289 Q CA 0.276 56.023 55.803 -0.093 0.000 0.902 289 Q CB -0.811 27.880 28.738 -0.080 0.000 1.154 289 Q HN 0.627 nan 8.270 nan 0.000 0.395 290 V N 1.173 121.068 119.914 -0.032 0.000 2.266 290 V HA 0.110 4.228 4.120 -0.004 0.000 0.266 290 V C -0.937 175.200 176.094 0.071 0.000 1.036 290 V CA -0.796 61.525 62.300 0.036 0.000 0.828 290 V CB 1.022 32.897 31.823 0.088 0.000 1.081 290 V HN 0.228 nan 8.190 nan 0.000 0.449 291 P HA -0.182 nan 4.420 nan 0.000 0.220 291 P C 1.242 178.687 177.300 0.243 0.000 1.144 291 P CA 1.583 64.787 63.100 0.173 0.000 0.800 291 P CB 0.517 32.294 31.700 0.128 0.000 0.772 292 A N -1.090 121.827 122.820 0.162 0.000 2.169 292 A HA 0.130 4.447 4.320 -0.004 0.000 0.212 292 A C 1.597 179.244 177.584 0.104 0.000 1.153 292 A CA 0.457 52.580 52.037 0.144 0.000 0.756 292 A CB -0.654 18.447 19.000 0.167 0.000 0.813 292 A HN 0.167 nan 8.150 nan 0.000 0.471 293 M N 1.755 121.414 119.600 0.098 0.000 2.854 293 M HA 0.225 4.703 4.480 -0.004 0.000 0.203 293 M C -2.838 173.512 176.300 0.083 0.000 1.069 293 M CA -1.754 53.588 55.300 0.070 0.000 0.803 293 M CB 1.364 33.940 32.600 -0.040 0.000 1.380 293 M HN -0.028 nan 8.290 nan 0.000 0.494 294 P HA 0.007 nan 4.420 nan 0.000 0.267 294 P C -0.677 176.784 177.300 0.268 0.000 1.209 294 P CA 0.185 63.275 63.100 -0.016 0.000 0.763 294 P CB 0.635 31.816 31.700 -0.865 0.000 0.816 295 K N 4.314 124.930 120.400 0.361 0.000 2.412 295 K HA 0.136 4.453 4.320 -0.004 0.000 0.281 295 K C -0.264 176.616 176.600 0.467 0.000 1.027 295 K CA -0.315 56.207 56.287 0.393 0.000 0.989 295 K CB 0.073 32.738 32.500 0.275 0.000 0.935 295 K HN 0.469 nan 8.250 nan 0.000 0.475 296 L N 4.377 125.768 121.223 0.279 0.000 2.350 296 L HA 0.295 4.633 4.340 -0.004 0.000 0.275 296 L C 0.862 177.776 176.870 0.073 0.000 1.099 296 L CA -0.382 54.488 54.840 0.050 0.000 0.808 296 L CB 1.064 43.045 42.059 -0.131 0.000 1.149 296 L HN 0.604 nan 8.230 nan 0.000 0.442 297 R N 1.136 121.547 120.500 -0.149 0.000 3.266 297 R HA 0.045 4.382 4.340 -0.004 0.000 0.224 297 R C 1.123 177.254 176.300 -0.283 0.000 1.525 297 R CA 0.016 55.991 56.100 -0.209 0.000 1.364 297 R CB 0.106 30.076 30.300 -0.551 0.000 1.276 297 R HN 0.837 nan 8.270 nan 0.000 0.660 298 T N -1.411 112.977 114.554 -0.276 0.000 2.996 298 T HA -0.132 4.216 4.350 -0.004 0.000 0.271 298 T C 1.058 175.600 174.700 -0.263 0.000 1.126 298 T CA 1.120 62.959 62.100 -0.434 0.000 1.103 298 T CB 0.018 68.390 68.868 -0.827 0.000 0.870 298 T HN 0.556 nan 8.240 nan 0.000 0.528 299 E N 1.060 121.158 120.200 -0.171 0.000 2.285 299 E HA 0.037 4.385 4.350 -0.004 0.000 0.194 299 E C 0.754 177.265 176.600 -0.148 0.000 0.997 299 E CA -0.107 56.231 56.400 -0.104 0.000 0.845 299 E CB -0.006 29.675 29.700 -0.032 0.000 0.782 299 E HN 0.418 nan 8.360 nan 0.000 0.491 300 N N 1.718 120.279 118.700 -0.232 0.000 2.431 300 N HA -0.015 4.723 4.740 -0.004 0.000 0.265 300 N C -1.650 173.683 175.510 -0.296 0.000 1.184 300 N CA -1.648 51.245 53.050 -0.261 0.000 0.943 300 N CB 1.087 39.356 38.487 -0.362 0.000 1.080 300 N HN -0.121 nan 8.380 nan 0.000 0.477 301 P HA -0.174 nan 4.420 nan 0.000 0.218 301 P C 0.512 177.653 177.300 -0.266 0.000 1.146 301 P CA 1.399 64.374 63.100 -0.209 0.000 0.813 301 P CB 0.499 32.127 31.700 -0.121 0.000 0.778 302 E N -0.414 119.609 120.200 -0.296 0.000 2.107 302 E HA -0.072 4.276 4.350 -0.004 0.000 0.191 302 E C 2.147 178.304 176.600 -0.738 0.000 0.982 302 E CA 0.779 56.986 56.400 -0.323 0.000 0.809 302 E CB -0.320 29.335 29.700 -0.076 0.000 0.756 302 E HN 0.075 nan 8.360 nan 0.000 0.459 303 V N 1.753 121.046 119.914 -1.034 0.000 2.307 303 V HA -0.250 3.867 4.120 -0.004 0.000 0.245 303 V C 2.391 178.138 176.094 -0.579 0.000 1.045 303 V CA 1.683 63.350 62.300 -1.056 0.000 1.024 303 V CB -0.428 30.863 31.823 -0.887 0.000 0.651 303 V HN 0.206 nan 8.190 nan 0.000 0.449 304 K N 0.308 120.412 120.400 -0.493 0.000 2.032 304 K HA -0.299 4.019 4.320 -0.004 0.000 0.209 304 K C 2.210 178.386 176.600 -0.707 0.000 1.048 304 K CA 2.243 58.207 56.287 -0.538 0.000 0.927 304 K CB -0.159 31.990 32.500 -0.586 0.000 0.712 304 K HN 0.423 nan 8.250 nan 0.000 0.441 305 E N 0.070 119.994 120.200 -0.459 0.000 2.085 305 E HA -0.239 4.109 4.350 -0.004 0.000 0.194 305 E C 1.870 178.423 176.600 -0.079 0.000 0.994 305 E CA 1.600 57.864 56.400 -0.228 0.000 0.801 305 E CB -0.524 29.124 29.700 -0.086 0.000 0.743 305 E HN 0.475 nan 8.360 nan 0.000 0.453 306 Y N 0.428 120.614 120.300 -0.190 0.000 2.145 306 Y HA -0.128 4.420 4.550 -0.004 0.000 0.286 306 Y C 1.958 177.791 175.900 -0.111 0.000 1.145 306 Y CA 1.944 60.013 58.100 -0.051 0.000 1.148 306 Y CB -0.213 38.273 38.460 0.043 0.000 0.981 306 Y HN 0.051 nan 8.280 nan 0.000 0.507 307 L N -1.001 120.132 121.223 -0.150 0.000 2.131 307 L HA -0.235 4.103 4.340 -0.004 0.000 0.210 307 L C 2.368 179.112 176.870 -0.210 0.000 1.092 307 L CA 1.304 55.882 54.840 -0.437 0.000 0.759 307 L CB -0.704 40.948 42.059 -0.678 0.000 0.903 307 L HN 0.299 nan 8.230 nan 0.000 0.435 308 F N 0.138 119.943 119.950 -0.242 0.000 2.186 308 F HA -0.222 4.302 4.527 -0.004 0.000 0.299 308 F C 2.325 178.093 175.800 -0.053 0.000 1.090 308 F CA 0.331 58.266 58.000 -0.109 0.000 1.307 308 F CB -0.083 38.860 39.000 -0.095 0.000 1.019 308 F HN 0.167 nan 8.300 nan 0.000 0.489 309 D N 0.204 120.652 120.400 0.080 0.000 2.144 309 D HA -0.137 4.501 4.640 -0.004 0.000 0.199 309 D C 2.340 178.652 176.300 0.020 0.000 0.984 309 D CA 0.903 54.908 54.000 0.010 0.000 0.834 309 D CB -0.421 40.317 40.800 -0.103 0.000 0.955 309 D HN 0.032 nan 8.370 nan 0.000 0.465 310 V N 1.391 121.264 119.914 -0.068 0.000 2.287 310 V HA -0.273 3.845 4.120 -0.004 0.000 0.248 310 V C 2.542 178.936 176.094 0.501 0.000 1.053 310 V CA 1.911 64.285 62.300 0.124 0.000 1.027 310 V CB -0.852 31.019 31.823 0.079 0.000 0.646 310 V HN 0.191 nan 8.190 nan 0.000 0.447 311 A N -0.121 122.957 122.820 0.430 0.000 1.902 311 A HA -0.234 4.084 4.320 -0.004 0.000 0.217 311 A C 2.379 180.332 177.584 0.615 0.000 1.181 311 A CA 1.892 54.300 52.037 0.618 0.000 0.623 311 A CB -0.516 18.714 19.000 0.383 0.000 0.818 311 A HN 0.515 nan 8.150 nan 0.000 0.443 312 R N -1.904 118.801 120.500 0.341 0.000 2.083 312 R HA -0.158 4.180 4.340 -0.004 0.000 0.237 312 R C 2.061 178.495 176.300 0.225 0.000 1.137 312 R CA 1.688 57.930 56.100 0.236 0.000 0.951 312 R CB -0.647 29.737 30.300 0.141 0.000 0.851 312 R HN 0.610 nan 8.270 nan 0.000 0.434 313 F N 0.259 120.232 119.950 0.039 0.000 2.065 313 F HA -0.269 4.256 4.527 -0.004 0.000 0.298 313 F C 1.698 177.398 175.800 -0.167 0.000 1.112 313 F CA 1.687 59.585 58.000 -0.170 0.000 1.212 313 F CB -0.295 38.454 39.000 -0.417 0.000 0.975 313 F HN 0.021 nan 8.300 nan 0.000 0.476 314 W N -0.075 121.441 121.300 0.360 0.000 2.436 314 W HA -0.076 4.582 4.660 -0.003 0.000 0.284 314 W C 2.385 178.994 176.519 0.149 0.000 1.225 314 W CA 0.759 58.238 57.345 0.223 0.000 1.271 314 W CB -0.483 29.238 29.460 0.436 0.000 1.114 314 W HN 0.006 nan 8.180 nan 0.000 0.559 315 M N -0.075 119.769 119.600 0.406 0.000 2.229 315 M HA -0.153 4.325 4.480 -0.004 0.000 0.264 315 M C 1.582 177.955 176.300 0.121 0.000 1.063 315 M CA 1.539 56.997 55.300 0.263 0.000 1.114 315 M CB -0.443 32.343 32.600 0.311 0.000 1.387 315 M HN 0.049 nan 8.290 nan 0.000 0.420 316 E N 0.047 120.266 120.200 0.032 0.000 2.268 316 E HA -0.167 4.180 4.350 -0.004 0.000 0.195 316 E C 1.772 178.327 176.600 -0.075 0.000 0.995 316 E CA 0.649 57.020 56.400 -0.049 0.000 0.836 316 E CB 0.053 29.677 29.700 -0.127 0.000 0.763 316 E HN 0.448 nan 8.360 nan 0.000 0.491 317 Q N -0.735 119.023 119.800 -0.070 0.000 2.482 317 Q HA 0.026 4.364 4.340 -0.004 0.000 0.209 317 Q C 1.316 177.365 176.000 0.082 0.000 0.961 317 Q CA 0.920 56.733 55.803 0.016 0.000 0.945 317 Q CB 0.825 29.682 28.738 0.198 0.000 1.012 317 Q HN 0.430 nan 8.270 nan 0.000 0.515 318 G N 1.548 110.400 108.800 0.087 0.000 2.176 318 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.232 318 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.232 318 G C 0.409 175.388 174.900 0.132 0.000 0.986 318 G CA 0.216 45.376 45.100 0.099 0.000 0.643 318 G HN 0.490 nan 8.290 nan 0.000 0.522 319 I N -2.053 118.601 120.570 0.140 0.000 3.112 319 I HA 0.409 4.576 4.170 -0.004 0.000 0.284 319 I C 0.590 176.740 176.117 0.055 0.000 1.227 319 I CA 0.433 61.789 61.300 0.093 0.000 1.369 319 I CB 0.509 38.532 38.000 0.038 0.000 1.376 319 I HN -0.040 nan 8.210 nan 0.000 0.608 320 D N 2.796 123.215 120.400 0.031 0.000 2.433 320 D HA 0.319 4.957 4.640 -0.004 0.000 0.211 320 D C 0.524 176.913 176.300 0.149 0.000 1.114 320 D CA 0.361 54.384 54.000 0.038 0.000 0.837 320 D CB 1.243 41.968 40.800 -0.125 0.000 0.984 320 D HN 0.885 nan 8.370 nan 0.000 0.505 321 G N 0.248 109.055 108.800 0.013 0.000 2.322 321 G HA2 0.356 4.314 3.960 -0.004 0.000 0.295 321 G HA3 0.356 4.314 3.960 -0.004 0.000 0.295 321 G C -2.275 172.525 174.900 -0.168 0.000 1.369 321 G CA -1.033 44.111 45.100 0.073 0.000 0.821 321 G HN 0.011 nan 8.290 nan 0.000 0.536 322 W N -0.411 121.013 121.300 0.207 0.000 2.936 322 W HA 0.790 5.448 4.660 -0.004 0.000 0.338 322 W C -0.094 176.388 176.519 -0.062 0.000 1.121 322 W CA -0.926 56.501 57.345 0.137 0.000 1.209 322 W CB 2.167 31.770 29.460 0.238 0.000 1.420 322 W HN 0.368 nan 8.180 nan 0.000 0.516 323 R N 3.191 123.769 120.500 0.129 0.000 2.320 323 R HA 0.464 4.802 4.340 -0.004 0.000 0.319 323 R C -1.085 175.105 176.300 -0.182 0.000 0.969 323 R CA -0.780 55.201 56.100 -0.199 0.000 0.857 323 R CB 0.411 30.572 30.300 -0.232 0.000 1.160 323 R HN 0.665 nan 8.270 nan 0.000 0.491 324 L N 2.615 123.599 121.223 -0.399 0.000 2.349 324 L HA 0.338 4.676 4.340 -0.004 0.000 0.275 324 L C 0.728 177.384 176.870 -0.358 0.000 1.115 324 L CA -0.043 54.530 54.840 -0.444 0.000 0.820 324 L CB 0.744 42.312 42.059 -0.818 0.000 1.135 324 L HN 0.265 nan 8.230 nan 0.000 0.445 325 D N 1.818 122.094 120.400 -0.206 0.000 2.168 325 D HA 0.228 4.866 4.640 -0.004 0.000 0.246 325 D C 0.257 176.506 176.300 -0.085 0.000 1.050 325 D CA -0.300 53.638 54.000 -0.104 0.000 0.857 325 D CB 2.262 43.089 40.800 0.045 0.000 1.169 325 D HN 0.363 nan 8.370 nan 0.000 0.453 326 V N 2.761 122.629 119.914 -0.076 0.000 5.175 326 V HA -0.322 3.796 4.120 -0.004 0.000 0.279 326 V C 1.617 177.711 176.094 0.001 0.000 0.571 326 V CA 1.069 63.376 62.300 0.012 0.000 0.694 326 V CB -2.077 29.881 31.823 0.225 0.000 0.525 326 V HN 0.745 nan 8.190 nan 0.000 1.093 327 A N 1.112 123.843 122.820 -0.149 0.000 2.015 327 A HA -0.172 4.146 4.320 -0.004 0.000 0.219 327 A C 1.813 179.439 177.584 0.070 0.000 1.163 327 A CA 1.695 53.718 52.037 -0.022 0.000 0.646 327 A CB -0.566 18.055 19.000 -0.633 0.000 0.806 327 A HN 1.070 nan 8.150 nan 0.000 0.448 328 N N -0.754 117.798 118.700 -0.247 0.000 2.609 328 N HA -0.091 4.647 4.740 -0.004 0.000 0.190 328 N C 0.762 176.367 175.510 0.157 0.000 1.157 328 N CA 0.797 53.717 53.050 -0.217 0.000 0.918 328 N CB -0.100 38.162 38.487 -0.376 0.000 0.978 328 N HN 0.600 nan 8.380 nan 0.000 0.448 329 E N 0.393 120.681 120.200 0.146 0.000 2.501 329 E HA 0.162 4.510 4.350 -0.004 0.000 0.200 329 E C -0.710 175.947 176.600 0.095 0.000 1.016 329 E CA -0.245 56.232 56.400 0.129 0.000 0.921 329 E CB 1.020 30.787 29.700 0.111 0.000 1.034 329 E HN 0.121 nan 8.360 nan 0.000 0.468 330 V N 2.813 122.815 119.914 0.146 0.000 2.581 330 V HA 0.059 4.176 4.120 -0.004 0.000 0.303 330 V C 0.112 176.185 176.094 -0.035 0.000 1.041 330 V CA -1.077 61.171 62.300 -0.087 0.000 0.907 330 V CB 1.769 33.367 31.823 -0.374 0.000 0.994 330 V HN 0.215 nan 8.190 nan 0.000 0.442 331 D N 2.042 122.369 120.400 -0.122 0.000 2.400 331 D HA -0.031 4.607 4.640 -0.004 0.000 0.238 331 D C 0.685 177.023 176.300 0.063 0.000 1.157 331 D CA 0.027 54.026 54.000 -0.001 0.000 0.889 331 D CB 0.974 41.793 40.800 0.032 0.000 1.199 331 D HN 0.624 nan 8.370 nan 0.000 0.436 332 H N 1.035 120.247 119.070 0.236 0.000 2.353 332 H HA -0.044 4.510 4.556 -0.004 0.000 0.300 332 H C 2.147 177.608 175.328 0.221 0.000 1.090 332 H CA 2.211 58.420 56.048 0.269 0.000 1.327 332 H CB -0.061 29.750 29.762 0.083 0.000 1.383 332 H HN 0.644 nan 8.280 nan 0.000 0.508 333 A N 0.618 123.593 122.820 0.258 0.000 1.940 333 A HA -0.227 4.091 4.320 -0.004 0.000 0.219 333 A C 2.139 179.840 177.584 0.196 0.000 1.176 333 A CA 1.613 53.758 52.037 0.180 0.000 0.631 333 A CB -0.984 18.085 19.000 0.116 0.000 0.814 333 A HN 0.498 nan 8.150 nan 0.000 0.446 334 F N -0.878 119.066 119.950 -0.011 0.000 2.102 334 F HA -0.178 4.347 4.527 -0.004 0.000 0.298 334 F C 2.018 177.890 175.800 0.120 0.000 1.105 334 F CA 1.759 59.702 58.000 -0.094 0.000 1.239 334 F CB -0.464 38.262 39.000 -0.457 0.000 0.991 334 F HN 0.413 nan 8.300 nan 0.000 0.474 335 W N 0.360 121.968 121.300 0.513 0.000 2.402 335 W HA -0.060 4.598 4.660 -0.004 0.000 0.286 335 W C 2.621 179.323 176.519 0.305 0.000 1.221 335 W CA 0.571 58.203 57.345 0.480 0.000 1.257 335 W CB -0.347 29.407 29.460 0.489 0.000 1.120 335 W HN -0.158 nan 8.180 nan 0.000 0.551 336 R N 0.484 121.227 120.500 0.405 0.000 2.092 336 R HA -0.126 4.212 4.340 -0.004 0.000 0.231 336 R C 1.802 178.194 176.300 0.153 0.000 1.119 336 R CA 1.506 57.739 56.100 0.222 0.000 0.970 336 R CB -0.286 30.100 30.300 0.144 0.000 0.864 336 R HN 0.272 nan 8.270 nan 0.000 0.440 337 E N -0.527 119.769 120.200 0.161 0.000 2.216 337 E HA -0.148 4.200 4.350 -0.004 0.000 0.192 337 E C 1.444 177.995 176.600 -0.083 0.000 0.988 337 E CA 0.575 57.038 56.400 0.104 0.000 0.834 337 E CB -0.014 29.829 29.700 0.239 0.000 0.772 337 E HN 0.182 nan 8.360 nan 0.000 0.479 338 F N 1.920 121.752 119.950 -0.196 0.000 2.084 338 F HA -0.125 4.400 4.527 -0.004 0.000 0.296 338 F C 2.356 178.057 175.800 -0.165 0.000 1.111 338 F CA 1.547 59.307 58.000 -0.401 0.000 1.224 338 F CB -0.101 38.910 39.000 0.018 0.000 0.991 338 F HN -0.217 nan 8.300 nan 0.000 0.471 339 R N 0.372 120.883 120.500 0.018 0.000 2.091 339 R HA -0.195 4.143 4.340 -0.004 0.000 0.238 339 R C 2.603 178.822 176.300 -0.135 0.000 1.136 339 R CA 1.548 57.613 56.100 -0.058 0.000 0.959 339 R CB -0.491 29.862 30.300 0.089 0.000 0.856 339 R HN 0.224 nan 8.270 nan 0.000 0.437 340 R N 0.641 121.079 120.500 -0.104 0.000 2.091 340 R HA -0.176 4.162 4.340 -0.004 0.000 0.238 340 R C 2.350 178.552 176.300 -0.164 0.000 1.136 340 R CA 1.707 57.748 56.100 -0.098 0.000 0.959 340 R CB -0.462 29.802 30.300 -0.060 0.000 0.856 340 R HN 0.307 nan 8.270 nan 0.000 0.437 341 L N 0.657 121.699 121.223 -0.301 0.000 2.005 341 L HA -0.122 4.216 4.340 -0.004 0.000 0.207 341 L C 2.217 178.919 176.870 -0.280 0.000 1.072 341 L CA 1.545 56.180 54.840 -0.341 0.000 0.744 341 L CB -0.599 41.084 42.059 -0.626 0.000 0.895 341 L HN -0.066 nan 8.230 nan 0.000 0.433 342 V N 0.180 119.853 119.914 -0.401 0.000 2.287 342 V HA -0.263 3.854 4.120 -0.004 0.000 0.248 342 V C 2.700 178.744 176.094 -0.082 0.000 1.053 342 V CA 1.897 64.047 62.300 -0.250 0.000 1.027 342 V CB -0.877 30.716 31.823 -0.383 0.000 0.646 342 V HN 0.425 nan 8.190 nan 0.000 0.447 343 K N 0.858 121.210 120.400 -0.081 0.000 2.211 343 K HA -0.074 4.244 4.320 -0.004 0.000 0.203 343 K C 2.456 179.051 176.600 -0.008 0.000 1.050 343 K CA 1.582 57.861 56.287 -0.014 0.000 0.945 343 K CB -0.708 31.788 32.500 -0.006 0.000 0.732 343 K HN 0.690 nan 8.250 nan 0.000 0.451 344 S N 1.065 116.744 115.700 -0.035 0.000 2.368 344 S HA -0.046 4.422 4.470 -0.004 0.000 0.224 344 S C 2.169 176.767 174.600 -0.004 0.000 1.029 344 S CA 0.673 58.861 58.200 -0.019 0.000 0.988 344 S CB -0.535 62.644 63.200 -0.035 0.000 0.838 344 S HN 0.186 nan 8.310 nan 0.000 0.462 345 L N 0.910 122.130 121.223 -0.005 0.000 2.156 345 L HA 0.198 4.536 4.340 -0.004 0.000 0.208 345 L C 0.735 177.628 176.870 0.039 0.000 1.095 345 L CA 0.735 55.587 54.840 0.020 0.000 0.770 345 L CB -0.383 41.696 42.059 0.033 0.000 0.914 345 L HN 0.394 nan 8.230 nan 0.000 0.439 346 N N -0.993 117.735 118.700 0.047 0.000 2.875 346 N HA 0.108 4.845 4.740 -0.004 0.000 0.253 346 N C -2.245 173.313 175.510 0.080 0.000 1.296 346 N CA -1.288 51.802 53.050 0.067 0.000 0.816 346 N CB 1.288 39.828 38.487 0.087 0.000 1.504 346 N HN -0.284 nan 8.380 nan 0.000 0.582 347 P HA -0.039 nan 4.420 nan 0.000 0.223 347 P C -0.074 177.298 177.300 0.120 0.000 1.144 347 P CA 1.049 64.195 63.100 0.078 0.000 0.783 347 P CB 0.516 32.254 31.700 0.062 0.000 0.771 348 D N -0.499 120.001 120.400 0.167 0.000 2.349 348 D HA 0.161 4.799 4.640 -0.004 0.000 0.214 348 D C 0.774 177.331 176.300 0.428 0.000 1.063 348 D CA 0.031 54.214 54.000 0.304 0.000 0.847 348 D CB 0.124 41.126 40.800 0.337 0.000 0.933 348 D HN 0.112 nan 8.370 nan 0.000 0.513 349 A N 1.018 124.002 122.820 0.273 0.000 2.450 349 A HA 0.307 4.625 4.320 -0.004 0.000 0.255 349 A C -0.053 177.704 177.584 0.288 0.000 1.096 349 A CA -0.281 51.928 52.037 0.288 0.000 0.778 349 A CB 0.305 19.433 19.000 0.213 0.000 1.031 349 A HN 0.186 nan 8.150 nan 0.000 0.494 350 L N 3.234 124.671 121.223 0.356 0.000 2.334 350 L HA 0.638 4.976 4.340 -0.004 0.000 0.277 350 L C -0.482 176.527 176.870 0.233 0.000 1.075 350 L CA -0.010 54.975 54.840 0.243 0.000 0.804 350 L CB 0.927 43.144 42.059 0.263 0.000 1.174 350 L HN 0.586 nan 8.230 nan 0.000 0.438 351 I N 5.629 126.285 120.570 0.142 0.000 2.448 351 I HA 0.342 4.510 4.170 -0.004 0.000 0.281 351 I C -1.109 174.920 176.117 -0.147 0.000 1.027 351 I CA -0.669 60.696 61.300 0.109 0.000 1.111 351 I CB 1.642 39.768 38.000 0.209 0.000 1.236 351 I HN 0.210 nan 8.210 nan 0.000 0.452 352 V N 4.982 124.677 119.914 -0.365 0.000 2.417 352 V HA 0.665 4.783 4.120 -0.004 0.000 0.291 352 V C 0.671 176.249 176.094 -0.861 0.000 1.024 352 V CA -0.474 61.416 62.300 -0.684 0.000 0.861 352 V CB 1.539 32.671 31.823 -1.151 0.000 0.985 352 V HN 0.822 nan 8.190 nan 0.000 0.436 353 G N 2.620 110.851 108.800 -0.948 0.000 2.491 353 G HA2 0.646 4.603 3.960 -0.004 0.000 0.327 353 G HA3 0.646 4.603 3.960 -0.004 0.000 0.327 353 G C -0.923 173.531 174.900 -0.742 0.000 1.189 353 G CA -0.396 44.048 45.100 -1.093 0.000 0.956 353 G HN 0.688 nan 8.290 nan 0.000 0.491 354 E N -0.025 119.744 120.200 -0.718 0.000 2.279 354 E HA 0.498 4.846 4.350 -0.004 0.000 0.252 354 E C -1.294 174.770 176.600 -0.893 0.000 0.894 354 E CA -0.416 55.534 56.400 -0.750 0.000 0.785 354 E CB 1.049 30.357 29.700 -0.653 0.000 1.237 354 E HN 0.316 nan 8.360 nan 0.000 0.418 355 I N 3.850 123.908 120.570 -0.854 0.000 2.534 355 I HA 0.242 4.410 4.170 -0.004 0.000 0.288 355 I C -0.515 175.307 176.117 -0.492 0.000 1.077 355 I CA -0.598 60.255 61.300 -0.745 0.000 1.051 355 I CB 1.498 39.081 38.000 -0.695 0.000 1.234 355 I HN 0.649 nan 8.210 nan 0.000 0.425 356 W N 5.906 127.140 121.300 -0.111 0.000 3.387 356 W HA 0.197 4.855 4.660 -0.003 0.000 0.403 356 W C 0.557 176.975 176.519 -0.169 0.000 1.073 356 W CA -0.377 56.724 57.345 -0.407 0.000 1.866 356 W CB -0.209 29.056 29.460 -0.325 0.000 0.981 356 W HN 0.509 nan 8.180 nan 0.000 0.802 357 H N -2.588 116.619 119.070 0.230 0.000 2.932 357 H HA 0.090 4.643 4.556 -0.004 0.000 0.307 357 H C -0.847 174.760 175.328 0.464 0.000 1.391 357 H CA -1.271 54.999 56.048 0.370 0.000 1.130 357 H CB 0.239 30.150 29.762 0.248 0.000 1.836 357 H HN -0.259 nan 8.280 nan 0.000 0.522 358 D N 0.461 121.137 120.400 0.459 0.000 2.661 358 D HA 0.019 4.657 4.640 -0.004 0.000 0.244 358 D C 0.615 177.164 176.300 0.416 0.000 1.196 358 D CA 0.741 54.994 54.000 0.421 0.000 0.881 358 D CB 0.333 41.335 40.800 0.336 0.000 1.141 358 D HN 0.624 nan 8.370 nan 0.000 0.530 359 A N 3.190 126.297 122.820 0.480 0.000 2.415 359 A HA 0.036 4.354 4.320 -0.004 0.000 0.248 359 A C 1.956 179.742 177.584 0.338 0.000 1.299 359 A CA 0.417 52.702 52.037 0.414 0.000 0.899 359 A CB -0.218 18.829 19.000 0.078 0.000 0.997 359 A HN 0.580 nan 8.150 nan 0.000 0.506 360 S N -0.511 115.457 115.700 0.447 0.000 2.407 360 S HA -0.154 4.313 4.470 -0.004 0.000 0.235 360 S C 1.863 176.490 174.600 0.045 0.000 1.036 360 S CA 1.547 59.937 58.200 0.317 0.000 1.013 360 S CB -0.890 62.528 63.200 0.362 0.000 0.820 360 S HN 0.697 nan 8.310 nan 0.000 0.476 361 G N -0.304 108.422 108.800 -0.124 0.000 2.509 361 G HA2 -0.064 3.893 3.960 -0.004 0.000 0.218 361 G HA3 -0.064 3.893 3.960 -0.004 0.000 0.218 361 G C 0.989 175.521 174.900 -0.613 0.000 1.124 361 G CA 0.410 45.204 45.100 -0.511 0.000 0.776 361 G HN 0.651 nan 8.290 nan 0.000 0.547 362 W N -0.332 120.878 121.300 -0.149 0.000 3.127 362 W HA 0.429 5.086 4.660 -0.004 0.000 0.344 362 W C 0.380 176.664 176.519 -0.391 0.000 1.151 362 W CA -0.286 56.809 57.345 -0.417 0.000 1.765 362 W CB 0.305 29.320 29.460 -0.742 0.000 1.085 362 W HN 0.031 nan 8.180 nan 0.000 0.596 363 L N 0.893 122.078 121.223 -0.064 0.000 3.100 363 L HA 0.221 4.559 4.340 -0.004 0.000 0.259 363 L C 1.155 178.042 176.870 0.029 0.000 1.316 363 L CA -0.158 54.667 54.840 -0.024 0.000 0.992 363 L CB 0.083 42.043 42.059 -0.165 0.000 1.390 363 L HN -0.206 nan 8.230 nan 0.000 0.550 364 M N -0.322 119.175 119.600 -0.172 0.000 2.461 364 M HA 0.296 4.774 4.480 -0.004 0.000 0.255 364 M C 1.453 177.446 176.300 -0.511 0.000 1.137 364 M CA 0.760 55.959 55.300 -0.167 0.000 1.086 364 M CB 0.678 33.199 32.600 -0.133 0.000 1.356 364 M HN 0.374 nan 8.290 nan 0.000 0.487 365 G N -0.256 107.895 108.800 -1.081 0.000 2.255 365 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.196 365 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.196 365 G C 0.458 174.973 174.900 -0.642 0.000 0.998 365 G CA 0.389 44.545 45.100 -1.572 0.000 0.656 365 G HN 0.506 nan 8.290 nan 0.000 0.490 366 D N -0.040 120.136 120.400 -0.373 0.000 2.349 366 D HA 0.247 4.885 4.640 -0.004 0.000 0.214 366 D C 1.515 177.763 176.300 -0.087 0.000 1.063 366 D CA 0.916 54.812 54.000 -0.173 0.000 0.847 366 D CB 0.127 40.862 40.800 -0.109 0.000 0.933 366 D HN 0.549 nan 8.370 nan 0.000 0.513 367 Q N -1.018 118.701 119.800 -0.135 0.000 2.160 367 Q HA 0.276 4.614 4.340 -0.004 0.000 0.166 367 Q C -0.359 175.717 176.000 0.127 0.000 0.592 367 Q CA -0.479 55.310 55.803 -0.024 0.000 0.711 367 Q CB 0.455 29.061 28.738 -0.221 0.000 1.157 367 Q HN 0.041 nan 8.270 nan 0.000 0.463 368 F N 1.611 121.560 119.950 -0.001 0.000 2.380 368 F HA 0.198 4.723 4.527 -0.004 0.000 0.321 368 F C 1.069 176.875 175.800 0.010 0.000 1.103 368 F CA -1.008 56.964 58.000 -0.047 0.000 1.067 368 F CB 0.258 39.164 39.000 -0.156 0.000 1.265 368 F HN 0.185 nan 8.300 nan 0.000 0.517 369 D N -0.531 120.012 120.400 0.238 0.000 2.240 369 D HA 0.029 4.667 4.640 -0.004 0.000 0.206 369 D C 0.618 177.013 176.300 0.158 0.000 0.963 369 D CA 1.102 55.249 54.000 0.244 0.000 0.863 369 D CB 0.447 41.313 40.800 0.110 0.000 0.973 369 D HN 0.466 nan 8.370 nan 0.000 0.501 370 S N -1.071 114.639 115.700 0.017 0.000 2.683 370 S HA 0.539 5.007 4.470 -0.004 0.000 0.269 370 S C -0.973 173.485 174.600 -0.237 0.000 1.165 370 S CA -0.692 57.448 58.200 -0.101 0.000 0.840 370 S CB 1.560 64.682 63.200 -0.130 0.000 1.169 370 S HN -0.003 nan 8.310 nan 0.000 0.490 371 V N -2.152 117.601 119.914 -0.267 0.000 3.181 371 V HA 0.700 4.818 4.120 -0.004 0.000 0.308 371 V C -0.519 175.423 176.094 -0.253 0.000 1.214 371 V CA -1.427 60.672 62.300 -0.335 0.000 1.053 371 V CB 1.629 33.307 31.823 -0.242 0.000 1.069 371 V HN 0.978 nan 8.190 nan 0.000 0.441 372 M N 2.937 122.400 119.600 -0.228 0.000 2.238 372 M HA 0.258 4.736 4.480 -0.004 0.000 0.350 372 M C 0.200 176.598 176.300 0.164 0.000 1.321 372 M CA 0.355 55.659 55.300 0.006 0.000 1.097 372 M CB -0.634 32.002 32.600 0.059 0.000 1.713 372 M HN 0.866 nan 8.290 nan 0.000 0.455 373 N N 3.536 122.352 118.700 0.193 0.000 3.124 373 N HA 0.014 4.752 4.740 -0.004 0.000 0.284 373 N C 0.627 176.308 175.510 0.286 0.000 1.209 373 N CA -0.131 53.032 53.050 0.188 0.000 1.149 373 N CB -0.204 38.369 38.487 0.143 0.000 1.434 373 N HN 0.531 nan 8.380 nan 0.000 0.529 374 Y N 0.566 121.072 120.300 0.344 0.000 2.315 374 Y HA -0.068 4.480 4.550 -0.004 0.000 0.288 374 Y C 1.406 177.475 175.900 0.281 0.000 1.154 374 Y CA 0.863 59.178 58.100 0.357 0.000 1.229 374 Y CB -0.327 38.414 38.460 0.469 0.000 0.980 374 Y HN 0.249 nan 8.280 nan 0.000 0.540 375 L N -0.889 120.125 121.223 -0.349 0.000 2.093 375 L HA -0.110 4.228 4.340 -0.004 0.000 0.208 375 L C 2.427 179.333 176.870 0.060 0.000 1.085 375 L CA 1.400 56.118 54.840 -0.204 0.000 0.755 375 L CB -0.608 41.256 42.059 -0.325 0.000 0.904 375 L HN 0.353 nan 8.230 nan 0.000 0.435 376 F N 0.955 120.913 119.950 0.014 0.000 2.102 376 F HA -0.244 4.281 4.527 -0.003 0.000 0.298 376 F C 2.817 178.713 175.800 0.160 0.000 1.105 376 F CA 1.703 59.764 58.000 0.102 0.000 1.239 376 F CB -0.258 38.834 39.000 0.152 0.000 0.991 376 F HN -0.130 nan 8.300 nan 0.000 0.474 377 R N 0.484 121.240 120.500 0.427 0.000 2.083 377 R HA -0.202 4.136 4.340 -0.004 0.000 0.237 377 R C 2.222 178.640 176.300 0.198 0.000 1.137 377 R CA 2.187 58.472 56.100 0.310 0.000 0.951 377 R CB -0.526 29.981 30.300 0.345 0.000 0.851 377 R HN 0.428 nan 8.270 nan 0.000 0.434 378 E N -0.264 120.046 120.200 0.184 0.000 2.085 378 E HA -0.163 4.184 4.350 -0.004 0.000 0.194 378 E C 2.029 178.687 176.600 0.097 0.000 0.994 378 E CA 1.761 58.245 56.400 0.139 0.000 0.801 378 E CB 0.041 29.828 29.700 0.145 0.000 0.743 378 E HN 0.323 nan 8.360 nan 0.000 0.453 379 S N 0.203 115.933 115.700 0.049 0.000 2.387 379 S HA -0.126 4.341 4.470 -0.004 0.000 0.226 379 S C 2.290 176.987 174.600 0.161 0.000 1.026 379 S CA 1.178 59.408 58.200 0.050 0.000 0.972 379 S CB -0.076 63.056 63.200 -0.112 0.000 0.814 379 S HN 0.321 nan 8.310 nan 0.000 0.477 380 V N -0.033 119.944 119.914 0.105 0.000 2.667 380 V HA 0.043 4.161 4.120 -0.004 0.000 0.252 380 V C 1.805 178.157 176.094 0.430 0.000 1.065 380 V CA 1.106 63.565 62.300 0.266 0.000 1.083 380 V CB -0.846 31.024 31.823 0.079 0.000 0.692 380 V HN 0.402 nan 8.190 nan 0.000 0.468 381 I N 0.407 121.190 120.570 0.355 0.000 2.202 381 I HA -0.144 4.024 4.170 -0.004 0.000 0.242 381 I C 3.037 179.219 176.117 0.108 0.000 1.091 381 I CA 1.783 63.257 61.300 0.290 0.000 1.368 381 I CB -0.267 37.861 38.000 0.213 0.000 1.058 381 I HN 0.196 nan 8.210 nan 0.000 0.410 382 R N -0.365 120.182 120.500 0.077 0.000 2.115 382 R HA -0.152 4.186 4.340 -0.004 0.000 0.230 382 R C 2.133 178.418 176.300 -0.025 0.000 1.111 382 R CA 1.360 57.469 56.100 0.015 0.000 0.976 382 R CB -0.263 30.047 30.300 0.017 0.000 0.870 382 R HN 0.257 nan 8.270 nan 0.000 0.445 383 F N -0.366 119.408 119.950 -0.293 0.000 2.147 383 F HA 0.073 4.598 4.527 -0.004 0.000 0.291 383 F C 1.382 176.825 175.800 -0.596 0.000 1.093 383 F CA 1.039 58.664 58.000 -0.625 0.000 1.263 383 F CB -0.087 38.108 39.000 -1.343 0.000 1.036 383 F HN -0.175 nan 8.300 nan 0.000 0.481 384 F N -0.353 119.433 119.950 -0.274 0.000 2.317 384 F HA 0.188 4.713 4.527 -0.004 0.000 0.293 384 F C 2.381 178.070 175.800 -0.184 0.000 1.085 384 F CA 0.816 58.655 58.000 -0.269 0.000 1.390 384 F CB -0.877 38.105 39.000 -0.030 0.000 1.077 384 F HN 0.029 nan 8.300 nan 0.000 0.517 385 A N 0.042 122.879 122.820 0.028 0.000 1.862 385 A HA -0.059 4.259 4.320 -0.004 0.000 0.211 385 A C 2.158 179.665 177.584 -0.128 0.000 1.220 385 A CA 1.746 53.697 52.037 -0.143 0.000 0.616 385 A CB -1.241 17.547 19.000 -0.354 0.000 0.878 385 A HN 0.320 nan 8.150 nan 0.000 0.453 386 T N -4.436 110.057 114.554 -0.101 0.000 3.051 386 T HA 0.377 4.724 4.350 -0.004 0.000 0.255 386 T C 1.446 176.097 174.700 -0.083 0.000 1.085 386 T CA 1.234 63.283 62.100 -0.085 0.000 1.109 386 T CB -0.036 68.793 68.868 -0.064 0.000 0.921 386 T HN 1.770 nan 8.240 nan 0.000 0.488 387 G N 1.650 110.385 108.800 -0.108 0.000 2.160 387 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.251 387 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.251 387 G C 0.522 175.379 174.900 -0.072 0.000 1.008 387 G CA 0.473 45.503 45.100 -0.117 0.000 0.724 387 G HN 0.598 nan 8.290 nan 0.000 0.514 388 E N -0.584 119.580 120.200 -0.059 0.000 2.204 388 E HA 0.067 4.415 4.350 -0.004 0.000 0.194 388 E C 1.587 178.150 176.600 -0.061 0.000 0.989 388 E CA 1.179 57.550 56.400 -0.048 0.000 0.824 388 E CB 0.053 29.729 29.700 -0.040 0.000 0.756 388 E HN 0.917 nan 8.360 nan 0.000 0.477 389 I N -1.268 119.266 120.570 -0.061 0.000 2.785 389 I HA 0.404 4.571 4.170 -0.004 0.000 0.302 389 I C -0.240 175.874 176.117 -0.006 0.000 1.069 389 I CA -1.396 59.832 61.300 -0.121 0.000 1.045 389 I CB 1.551 39.474 38.000 -0.128 0.000 1.236 389 I HN -0.152 nan 8.210 nan 0.000 0.429 390 H N 3.303 122.424 119.070 0.084 0.000 2.530 390 H HA 0.727 5.280 4.556 -0.004 0.000 0.342 390 H C 1.035 176.444 175.328 0.136 0.000 1.312 390 H CA -0.341 55.790 56.048 0.138 0.000 1.376 390 H CB 0.559 30.356 29.762 0.059 0.000 1.692 390 H HN 0.727 nan 8.280 nan 0.000 0.622 391 A N 0.349 123.442 122.820 0.454 0.000 1.903 391 A HA -0.275 4.043 4.320 -0.004 0.000 0.219 391 A C 2.005 179.627 177.584 0.063 0.000 1.191 391 A CA 2.126 54.245 52.037 0.136 0.000 0.638 391 A CB -1.069 18.088 19.000 0.262 0.000 0.823 391 A HN 0.879 nan 8.150 nan 0.000 0.451 392 E N -1.219 119.149 120.200 0.280 0.000 2.051 392 E HA -0.232 4.116 4.350 -0.004 0.000 0.192 392 E C 2.302 178.937 176.600 0.058 0.000 0.991 392 E CA 1.350 57.845 56.400 0.159 0.000 0.799 392 E CB -0.175 29.620 29.700 0.159 0.000 0.748 392 E HN 0.527 nan 8.360 nan 0.000 0.449 393 R N 0.923 121.438 120.500 0.026 0.000 2.096 393 R HA -0.140 4.198 4.340 -0.004 0.000 0.235 393 R C 1.918 178.092 176.300 -0.210 0.000 1.127 393 R CA 1.209 57.205 56.100 -0.173 0.000 0.968 393 R CB -0.747 29.314 30.300 -0.398 0.000 0.861 393 R HN 0.229 nan 8.270 nan 0.000 0.440 394 F N 0.690 120.350 119.950 -0.482 0.000 2.134 394 F HA -0.174 4.350 4.527 -0.004 0.000 0.299 394 F C 1.918 177.276 175.800 -0.738 0.000 1.097 394 F CA 1.925 59.477 58.000 -0.746 0.000 1.264 394 F CB -0.304 37.850 39.000 -1.410 0.000 1.001 394 F HN 0.173 nan 8.300 nan 0.000 0.479 395 D N 0.571 120.535 120.400 -0.726 0.000 2.097 395 D HA -0.193 4.444 4.640 -0.004 0.000 0.195 395 D C 2.247 178.315 176.300 -0.386 0.000 0.989 395 D CA 1.525 55.122 54.000 -0.672 0.000 0.827 395 D CB -0.416 40.222 40.800 -0.271 0.000 0.966 395 D HN 0.337 nan 8.370 nan 0.000 0.456 396 A N 0.616 123.290 122.820 -0.242 0.000 1.902 396 A HA -0.189 4.129 4.320 -0.004 0.000 0.217 396 A C 2.168 179.655 177.584 -0.162 0.000 1.181 396 A CA 1.728 53.687 52.037 -0.129 0.000 0.623 396 A CB -0.627 18.335 19.000 -0.064 0.000 0.818 396 A HN 0.350 nan 8.150 nan 0.000 0.443 397 E N -0.686 119.365 120.200 -0.248 0.000 2.077 397 E HA -0.175 4.173 4.350 -0.004 0.000 0.193 397 E C 1.881 178.318 176.600 -0.272 0.000 0.989 397 E CA 1.119 57.380 56.400 -0.230 0.000 0.800 397 E CB -0.255 29.296 29.700 -0.248 0.000 0.746 397 E HN 0.423 nan 8.360 nan 0.000 0.452 398 L N 0.732 121.690 121.223 -0.442 0.000 1.994 398 L HA -0.171 4.166 4.340 -0.004 0.000 0.208 398 L C 2.470 179.237 176.870 -0.171 0.000 1.071 398 L CA 1.837 56.461 54.840 -0.359 0.000 0.745 398 L CB -1.063 40.634 42.059 -0.605 0.000 0.892 398 L HN 0.107 nan 8.230 nan 0.000 0.431 399 T N -1.052 113.396 114.554 -0.176 0.000 2.684 399 T HA -0.245 4.103 4.350 -0.004 0.000 0.267 399 T C 2.069 176.634 174.700 -0.225 0.000 1.036 399 T CA 1.442 63.453 62.100 -0.149 0.000 1.148 399 T CB -0.188 68.634 68.868 -0.078 0.000 0.863 399 T HN 0.230 nan 8.240 nan 0.000 0.436 400 R N 0.833 121.246 120.500 -0.145 0.000 2.080 400 R HA -0.113 4.225 4.340 -0.004 0.000 0.236 400 R C 2.687 178.869 176.300 -0.195 0.000 1.137 400 R CA 1.647 57.673 56.100 -0.123 0.000 0.943 400 R CB -0.587 29.704 30.300 -0.015 0.000 0.846 400 R HN 0.386 nan 8.270 nan 0.000 0.431 401 A N 1.157 123.877 122.820 -0.166 0.000 1.883 401 A HA -0.243 4.075 4.320 -0.004 0.000 0.217 401 A C 2.207 179.657 177.584 -0.222 0.000 1.186 401 A CA 1.783 53.711 52.037 -0.181 0.000 0.624 401 A CB -0.686 18.248 19.000 -0.110 0.000 0.822 401 A HN 0.451 nan 8.150 nan 0.000 0.444 402 R N -1.328 119.069 120.500 -0.173 0.000 2.139 402 R HA -0.116 4.222 4.340 -0.004 0.000 0.243 402 R C 1.414 177.554 176.300 -0.267 0.000 1.145 402 R CA 1.777 57.773 56.100 -0.175 0.000 0.976 402 R CB -0.191 30.030 30.300 -0.132 0.000 0.866 402 R HN 0.414 nan 8.270 nan 0.000 0.449 403 M N 0.054 119.423 119.600 -0.386 0.000 2.495 403 M HA 0.006 4.484 4.480 -0.004 0.000 0.237 403 M C 1.246 177.332 176.300 -0.356 0.000 1.131 403 M CA 0.266 55.296 55.300 -0.451 0.000 1.032 403 M CB -0.035 32.052 32.600 -0.855 0.000 1.513 403 M HN 0.141 nan 8.290 nan 0.000 0.488 404 L N -0.683 120.278 121.223 -0.437 0.000 2.046 404 L HA -0.066 4.272 4.340 -0.004 0.000 0.208 404 L C 0.510 177.039 176.870 -0.568 0.000 1.077 404 L CA 1.640 56.110 54.840 -0.617 0.000 0.747 404 L CB -0.641 40.741 42.059 -1.128 0.000 0.896 404 L HN 0.188 nan 8.230 nan 0.000 0.432 405 Y N -2.555 117.713 120.300 -0.053 0.000 2.659 405 Y HA 0.491 5.039 4.550 -0.004 0.000 0.333 405 Y C -2.053 173.747 175.900 -0.167 0.000 1.064 405 Y CA -3.049 55.012 58.100 -0.065 0.000 1.141 405 Y CB -0.045 38.392 38.460 -0.038 0.000 1.316 405 Y HN -0.252 nan 8.280 nan 0.000 0.509 406 P HA 0.011 nan 4.420 nan 0.000 0.272 406 P C 0.408 177.471 177.300 -0.395 0.000 1.223 406 P CA -0.060 62.628 63.100 -0.687 0.000 0.784 406 P CB 0.632 31.689 31.700 -1.070 0.000 0.923 407 E N 1.552 121.593 120.200 -0.265 0.000 2.130 407 E HA -0.322 4.026 4.350 -0.004 0.000 0.196 407 E C 1.032 177.461 176.600 -0.285 0.000 0.998 407 E CA 1.512 57.822 56.400 -0.150 0.000 0.806 407 E CB -0.578 29.121 29.700 -0.001 0.000 0.738 407 E HN 0.399 nan 8.360 nan 0.000 0.459 408 Q N 0.952 120.470 119.800 -0.471 0.000 2.170 408 Q HA -0.070 4.268 4.340 -0.004 0.000 0.203 408 Q C 2.133 177.686 176.000 -0.745 0.000 0.976 408 Q CA 2.090 57.486 55.803 -0.679 0.000 0.858 408 Q CB -0.247 27.858 28.738 -1.056 0.000 0.907 408 Q HN 0.505 nan 8.270 nan 0.000 0.433 409 A N 0.503 122.911 122.820 -0.687 0.000 1.861 409 A HA 0.123 4.441 4.320 -0.004 0.000 0.212 409 A C 2.284 179.766 177.584 -0.170 0.000 1.199 409 A CA 1.116 52.943 52.037 -0.349 0.000 0.613 409 A CB -1.026 17.897 19.000 -0.129 0.000 0.846 409 A HN 0.348 nan 8.150 nan 0.000 0.446 410 A N -0.382 122.375 122.820 -0.105 0.000 1.917 410 A HA -0.295 4.022 4.320 -0.004 0.000 0.219 410 A C 2.190 179.696 177.584 -0.129 0.000 1.182 410 A CA 2.108 54.111 52.037 -0.057 0.000 0.633 410 A CB -0.638 18.317 19.000 -0.075 0.000 0.819 410 A HN 0.588 nan 8.150 nan 0.000 0.448 411 Q N 0.057 119.751 119.800 -0.177 0.000 2.234 411 Q HA -0.115 4.223 4.340 -0.004 0.000 0.206 411 Q C 1.461 177.361 176.000 -0.166 0.000 0.980 411 Q CA 1.888 57.580 55.803 -0.186 0.000 0.869 411 Q CB -0.492 28.131 28.738 -0.192 0.000 0.912 411 Q HN 0.530 nan 8.270 nan 0.000 0.436 412 G N 0.576 109.290 108.800 -0.143 0.000 3.575 412 G HA2 0.292 4.250 3.960 -0.004 0.000 0.273 412 G HA3 0.292 4.250 3.960 -0.004 0.000 0.273 412 G C 0.136 175.052 174.900 0.028 0.000 1.053 412 G CA -0.485 44.566 45.100 -0.082 0.000 0.803 412 G HN 0.156 nan 8.290 nan 0.000 0.528 413 L N 0.762 121.984 121.223 -0.003 0.000 2.453 413 L HA 0.204 4.542 4.340 -0.004 0.000 0.272 413 L C 0.019 176.986 176.870 0.162 0.000 1.182 413 L CA -0.796 54.074 54.840 0.049 0.000 0.858 413 L CB 0.605 42.680 42.059 0.028 0.000 1.120 413 L HN 0.140 nan 8.230 nan 0.000 0.474 414 W N 3.255 124.471 121.300 -0.140 0.000 2.485 414 W HA 0.141 4.799 4.660 -0.004 0.000 0.315 414 W C 0.185 176.590 176.519 -0.191 0.000 1.304 414 W CA -0.815 56.439 57.345 -0.152 0.000 1.345 414 W CB -0.465 28.922 29.460 -0.122 0.000 1.368 414 W HN 0.359 nan 8.180 nan 0.000 0.497 415 N N 5.378 123.951 118.700 -0.211 0.000 2.602 415 N HA 0.169 4.906 4.740 -0.004 0.000 0.238 415 N C -0.281 175.016 175.510 -0.355 0.000 1.084 415 N CA -0.243 52.395 53.050 -0.687 0.000 0.952 415 N CB 0.385 37.953 38.487 -1.533 0.000 1.244 415 N HN 0.403 nan 8.380 nan 0.000 0.512 416 L N -1.068 120.168 121.223 0.021 0.000 2.375 416 L HA 0.543 4.881 4.340 -0.004 0.000 0.268 416 L C 0.408 177.440 176.870 0.271 0.000 1.058 416 L CA -0.747 54.190 54.840 0.161 0.000 0.803 416 L CB 1.214 43.407 42.059 0.225 0.000 1.212 416 L HN 0.191 nan 8.230 nan 0.000 0.451 417 L N 0.159 121.480 121.223 0.164 0.000 2.425 417 L HA 0.266 4.604 4.340 -0.004 0.000 0.215 417 L C -0.327 176.671 176.870 0.213 0.000 1.065 417 L CA 0.247 55.110 54.840 0.038 0.000 0.842 417 L CB 0.033 41.916 42.059 -0.293 0.000 1.033 417 L HN 0.907 nan 8.230 nan 0.000 0.474 418 D N -1.976 118.532 120.400 0.180 0.000 2.779 418 D HA 0.476 5.114 4.640 -0.004 0.000 0.331 418 D C -0.711 175.529 176.300 -0.100 0.000 1.331 418 D CA -0.353 53.702 54.000 0.092 0.000 0.866 418 D CB 1.216 42.102 40.800 0.144 0.000 1.409 418 D HN -0.059 nan 8.370 nan 0.000 0.486 419 S N -2.251 113.229 115.700 -0.365 0.000 2.672 419 S HA 0.333 4.801 4.470 -0.004 0.000 0.271 419 S C 0.594 174.757 174.600 -0.729 0.000 1.171 419 S CA -0.523 57.356 58.200 -0.535 0.000 0.817 419 S CB 0.601 63.790 63.200 -0.018 0.000 1.150 419 S HN 0.845 nan 8.310 nan 0.000 0.478 420 H N 0.066 118.839 119.070 -0.496 0.000 2.543 420 H HA 0.137 4.691 4.556 -0.003 0.000 0.286 420 H C -0.137 175.102 175.328 -0.148 0.000 1.037 420 H CA 1.251 57.162 56.048 -0.228 0.000 1.250 420 H CB -0.546 29.164 29.762 -0.088 0.000 1.373 420 H HN 0.576 nan 8.280 nan 0.000 0.580 421 D N 1.144 121.239 120.400 -0.508 0.000 2.395 421 D HA 0.071 4.709 4.640 -0.004 0.000 0.213 421 D C 0.719 176.887 176.300 -0.220 0.000 1.110 421 D CA 0.531 54.313 54.000 -0.363 0.000 0.835 421 D CB 0.840 41.397 40.800 -0.405 0.000 0.965 421 D HN 0.582 nan 8.370 nan 0.000 0.505 422 T N -2.464 111.972 114.554 -0.196 0.000 2.864 422 T HA 0.433 4.781 4.350 -0.004 0.000 0.289 422 T C -0.135 174.514 174.700 -0.086 0.000 1.082 422 T CA -0.962 61.065 62.100 -0.122 0.000 1.009 422 T CB 2.537 71.353 68.868 -0.086 0.000 1.234 422 T HN 0.002 nan 8.240 nan 0.000 0.526 423 E N 0.878 121.052 120.200 -0.042 0.000 2.392 423 E HA 0.269 4.617 4.350 -0.004 0.000 0.259 423 E C -0.296 176.320 176.600 0.028 0.000 1.108 423 E CA -0.961 55.429 56.400 -0.017 0.000 0.916 423 E CB 0.643 30.328 29.700 -0.024 0.000 0.989 423 E HN 0.407 nan 8.360 nan 0.000 0.432 424 R N 1.159 121.691 120.500 0.053 0.000 2.590 424 R HA 0.004 4.342 4.340 -0.004 0.000 0.274 424 R C 0.722 177.132 176.300 0.185 0.000 1.061 424 R CA 0.010 56.194 56.100 0.139 0.000 1.081 424 R CB 0.073 30.430 30.300 0.094 0.000 0.984 424 R HN 0.684 nan 8.270 nan 0.000 0.448 425 F N 2.138 122.209 119.950 0.201 0.000 2.216 425 F HA -0.226 4.299 4.527 -0.003 0.000 0.300 425 F C 1.971 177.958 175.800 0.311 0.000 1.085 425 F CA 1.226 59.379 58.000 0.255 0.000 1.326 425 F CB -0.047 39.142 39.000 0.316 0.000 1.027 425 F HN 0.457 nan 8.300 nan 0.000 0.497 426 L N -0.120 121.318 121.223 0.357 0.000 2.083 426 L HA -0.164 4.174 4.340 -0.004 0.000 0.209 426 L C 2.184 179.026 176.870 -0.045 0.000 1.083 426 L CA 2.340 57.228 54.840 0.080 0.000 0.752 426 L CB -1.441 40.457 42.059 -0.269 0.000 0.899 426 L HN 0.095 nan 8.230 nan 0.000 0.433 427 T N -0.893 113.634 114.554 -0.044 0.000 2.821 427 T HA -0.120 4.228 4.350 -0.004 0.000 0.267 427 T C 1.937 176.568 174.700 -0.115 0.000 1.046 427 T CA 1.495 63.552 62.100 -0.072 0.000 1.139 427 T CB -0.258 68.582 68.868 -0.047 0.000 0.871 427 T HN 0.422 nan 8.240 nan 0.000 0.454 428 S N 0.633 116.227 115.700 -0.176 0.000 2.399 428 S HA -0.098 4.370 4.470 -0.004 0.000 0.231 428 S C 2.031 176.457 174.600 -0.289 0.000 1.022 428 S CA 0.755 58.797 58.200 -0.264 0.000 0.983 428 S CB -0.432 62.508 63.200 -0.434 0.000 0.803 428 S HN 0.581 nan 8.310 nan 0.000 0.480 429 C N 1.354 120.477 119.300 -0.295 0.000 2.573 429 C HA 0.425 4.883 4.460 -0.004 0.000 0.273 429 C C 1.895 176.806 174.990 -0.132 0.000 1.346 429 C CA -0.314 58.581 59.018 -0.206 0.000 1.702 429 C CB -1.593 26.073 27.740 -0.123 0.000 1.751 429 C HN 0.731 nan 8.230 nan 0.000 0.583 430 G N 0.497 109.225 108.800 -0.120 0.000 2.249 430 G HA2 0.038 3.996 3.960 -0.004 0.000 0.273 430 G HA3 0.038 3.996 3.960 -0.004 0.000 0.273 430 G C 0.970 175.820 174.900 -0.083 0.000 1.036 430 G CA 0.582 45.628 45.100 -0.091 0.000 0.824 430 G HN 1.486 nan 8.290 nan 0.000 0.504 431 G N -1.013 107.735 108.800 -0.088 0.000 2.179 431 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.260 431 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.260 431 G C 0.357 175.206 174.900 -0.084 0.000 0.977 431 G CA 0.779 45.826 45.100 -0.088 0.000 0.641 431 G HN 1.500 nan 8.290 nan 0.000 0.533 432 N N 1.170 119.819 118.700 -0.084 0.000 2.406 432 N HA 0.149 4.886 4.740 -0.004 0.000 0.265 432 N C 1.176 176.648 175.510 -0.062 0.000 1.203 432 N CA 0.669 53.660 53.050 -0.099 0.000 0.945 432 N CB 0.649 39.042 38.487 -0.156 0.000 1.165 432 N HN 0.626 nan 8.380 nan 0.000 0.485 433 E N 3.381 123.549 120.200 -0.053 0.000 2.150 433 E HA -0.135 4.213 4.350 -0.004 0.000 0.193 433 E C 1.456 178.065 176.600 0.016 0.000 0.985 433 E CA 0.849 57.254 56.400 0.008 0.000 0.814 433 E CB 0.131 29.813 29.700 -0.031 0.000 0.752 433 E HN 0.730 nan 8.360 nan 0.000 0.466 434 A N 1.384 124.146 122.820 -0.096 0.000 1.908 434 A HA -0.222 4.096 4.320 -0.004 0.000 0.218 434 A C 1.991 179.447 177.584 -0.213 0.000 1.181 434 A CA 1.686 53.635 52.037 -0.147 0.000 0.627 434 A CB -0.295 18.593 19.000 -0.186 0.000 0.818 434 A HN 0.138 nan 8.150 nan 0.000 0.445 435 K N -1.762 118.443 120.400 -0.326 0.000 2.103 435 K HA -0.019 4.299 4.320 -0.004 0.000 0.204 435 K C 1.768 178.377 176.600 0.015 0.000 1.052 435 K CA 1.282 57.432 56.287 -0.229 0.000 0.945 435 K CB -0.290 32.058 32.500 -0.253 0.000 0.722 435 K HN 0.490 nan 8.250 nan 0.000 0.443 436 F N 2.336 122.269 119.950 -0.028 0.000 2.102 436 F HA -0.173 4.352 4.527 -0.004 0.000 0.298 436 F C 2.156 178.004 175.800 0.081 0.000 1.105 436 F CA 1.451 59.528 58.000 0.128 0.000 1.239 436 F CB 0.076 39.152 39.000 0.128 0.000 0.991 436 F HN -0.146 nan 8.300 nan 0.000 0.474 437 R N 0.065 120.653 120.500 0.147 0.000 2.096 437 R HA -0.141 4.197 4.340 -0.004 0.000 0.235 437 R C 2.390 178.713 176.300 0.039 0.000 1.127 437 R CA 1.487 57.631 56.100 0.074 0.000 0.968 437 R CB -0.696 29.491 30.300 -0.190 0.000 0.861 437 R HN 0.386 nan 8.270 nan 0.000 0.440 438 L N 0.243 121.439 121.223 -0.046 0.000 2.083 438 L HA -0.150 4.188 4.340 -0.004 0.000 0.209 438 L C 2.411 178.990 176.870 -0.485 0.000 1.083 438 L CA 1.268 56.065 54.840 -0.072 0.000 0.752 438 L CB -0.438 41.670 42.059 0.082 0.000 0.899 438 L HN 0.249 nan 8.230 nan 0.000 0.433 439 A N -0.892 121.433 122.820 -0.825 0.000 1.898 439 A HA -0.147 4.171 4.320 -0.004 0.000 0.216 439 A C 2.200 179.493 177.584 -0.484 0.000 1.181 439 A CA 1.554 52.919 52.037 -1.119 0.000 0.620 439 A CB -0.657 17.930 19.000 -0.688 0.000 0.819 439 A HN 0.260 nan 8.150 nan 0.000 0.442 440 V N -0.186 119.474 119.914 -0.423 0.000 2.358 440 V HA -0.217 3.901 4.120 -0.004 0.000 0.246 440 V C 2.473 178.449 176.094 -0.197 0.000 1.047 440 V CA 1.774 63.857 62.300 -0.363 0.000 1.035 440 V CB -0.649 30.890 31.823 -0.474 0.000 0.658 440 V HN 0.640 nan 8.190 nan 0.000 0.452 441 L N -0.799 120.398 121.223 -0.043 0.000 2.012 441 L HA -0.236 4.102 4.340 -0.004 0.000 0.210 441 L C 2.303 179.250 176.870 0.129 0.000 1.073 441 L CA 2.187 57.048 54.840 0.036 0.000 0.748 441 L CB -0.374 41.806 42.059 0.202 0.000 0.891 441 L HN 0.385 nan 8.230 nan 0.000 0.431 442 F N 0.254 120.236 119.950 0.054 0.000 2.102 442 F HA -0.314 4.211 4.527 -0.003 0.000 0.298 442 F C 2.697 178.665 175.800 0.281 0.000 1.105 442 F CA 2.087 60.239 58.000 0.254 0.000 1.239 442 F CB -0.285 38.871 39.000 0.261 0.000 0.991 442 F HN 0.215 nan 8.300 nan 0.000 0.474 443 Q N -0.102 119.753 119.800 0.091 0.000 2.077 443 Q HA -0.294 4.043 4.340 -0.004 0.000 0.206 443 Q C 1.988 177.951 176.000 -0.062 0.000 0.989 443 Q CA 2.110 57.972 55.803 0.098 0.000 0.853 443 Q CB -0.283 28.506 28.738 0.085 0.000 0.907 443 Q HN 0.444 nan 8.270 nan 0.000 0.418 444 M N 0.161 119.709 119.600 -0.087 0.000 2.630 444 M HA -0.037 4.441 4.480 -0.004 0.000 0.254 444 M C 1.163 177.440 176.300 -0.039 0.000 1.092 444 M CA 1.353 56.594 55.300 -0.099 0.000 1.087 444 M CB 0.327 32.821 32.600 -0.176 0.000 1.453 444 M HN 0.426 nan 8.290 nan 0.000 0.509 445 T N -4.179 110.392 114.554 0.029 0.000 3.058 445 T HA 0.168 4.515 4.350 -0.004 0.000 0.278 445 T C 0.028 174.886 174.700 0.262 0.000 0.974 445 T CA -0.437 61.747 62.100 0.139 0.000 0.893 445 T CB -0.227 68.773 68.868 0.220 0.000 1.138 445 T HN 0.138 nan 8.240 nan 0.000 0.529 446 Y N 1.687 121.907 120.300 -0.134 0.000 2.392 446 Y HA 0.647 5.195 4.550 -0.003 0.000 0.323 446 Y C -0.016 175.785 175.900 -0.166 0.000 1.291 446 Y CA -2.564 55.363 58.100 -0.288 0.000 1.345 446 Y CB 0.820 38.782 38.460 -0.829 0.000 1.320 446 Y HN 0.150 nan 8.280 nan 0.000 0.518 447 L N 3.299 123.873 121.223 -1.082 0.000 2.462 447 L HA 0.480 4.818 4.340 -0.004 0.000 0.272 447 L C 0.223 176.787 176.870 -0.509 0.000 1.166 447 L CA 1.461 55.870 54.840 -0.719 0.000 0.880 447 L CB -0.413 41.181 42.059 -0.774 0.000 1.142 447 L HN 0.868 nan 8.230 nan 0.000 0.473 448 G N 2.776 111.395 108.800 -0.303 0.000 2.331 448 G HA2 0.006 3.964 3.960 -0.004 0.000 0.402 448 G HA3 0.006 3.964 3.960 -0.004 0.000 0.402 448 G C -0.887 173.894 174.900 -0.200 0.000 1.275 448 G CA -0.453 44.513 45.100 -0.223 0.000 1.003 448 G HN 0.642 nan 8.290 nan 0.000 0.500 449 T N 3.125 117.576 114.554 -0.172 0.000 2.772 449 T HA 0.628 4.976 4.350 -0.004 0.000 0.288 449 T C -2.597 171.935 174.700 -0.279 0.000 0.994 449 T CA -0.710 61.264 62.100 -0.210 0.000 0.951 449 T CB 1.859 70.608 68.868 -0.198 0.000 0.933 449 T HN 0.388 nan 8.240 nan 0.000 0.447 450 P HA 0.178 nan 4.420 nan 0.000 0.268 450 P C -0.821 176.346 177.300 -0.222 0.000 1.204 450 P CA -0.393 62.578 63.100 -0.215 0.000 0.768 450 P CB 0.557 32.178 31.700 -0.132 0.000 0.842 451 L N 4.905 126.030 121.223 -0.163 0.000 2.372 451 L HA 0.429 4.766 4.340 -0.004 0.000 0.274 451 L C -0.948 175.932 176.870 0.016 0.000 0.988 451 L CA -0.847 53.911 54.840 -0.135 0.000 0.833 451 L CB 1.013 43.008 42.059 -0.106 0.000 1.236 451 L HN 0.198 nan 8.230 nan 0.000 0.410 452 I N 4.702 125.293 120.570 0.036 0.000 2.353 452 I HA 0.151 4.319 4.170 -0.004 0.000 0.293 452 I C -0.336 175.737 176.117 -0.073 0.000 0.992 452 I CA -0.507 60.837 61.300 0.074 0.000 1.268 452 I CB 1.025 39.120 38.000 0.159 0.000 1.387 452 I HN 0.462 nan 8.210 nan 0.000 0.478 453 Y N 8.284 128.525 120.300 -0.098 0.000 2.365 453 Y HA 0.212 4.760 4.550 -0.004 0.000 0.340 453 Y C 0.191 175.927 175.900 -0.274 0.000 1.016 453 Y CA -1.396 56.635 58.100 -0.114 0.000 1.196 453 Y CB 0.279 38.749 38.460 0.017 0.000 1.167 453 Y HN 0.496 nan 8.280 nan 0.000 0.509 454 Y N 5.228 125.001 120.300 -0.879 0.000 3.036 454 Y HA 0.199 4.747 4.550 -0.004 0.000 0.354 454 Y C 1.082 176.744 175.900 -0.396 0.000 1.267 454 Y CA 0.528 58.241 58.100 -0.644 0.000 1.606 454 Y CB -0.197 38.084 38.460 -0.298 0.000 1.164 454 Y HN 0.988 nan 8.280 nan 0.000 0.587 455 G N 3.052 111.728 108.800 -0.207 0.000 2.268 455 G HA2 -0.371 3.587 3.960 -0.004 0.000 0.240 455 G HA3 -0.371 3.587 3.960 -0.004 0.000 0.240 455 G C 0.777 175.550 174.900 -0.211 0.000 1.010 455 G CA 0.358 45.282 45.100 -0.294 0.000 0.618 455 G HN 0.630 nan 8.290 nan 0.000 0.516 456 D N 1.303 121.606 120.400 -0.161 0.000 2.149 456 D HA -0.056 4.582 4.640 -0.004 0.000 0.198 456 D C 2.461 178.763 176.300 0.002 0.000 0.990 456 D CA 1.489 55.520 54.000 0.051 0.000 0.839 456 D CB -0.122 40.863 40.800 0.308 0.000 0.948 456 D HN 0.726 nan 8.370 nan 0.000 0.460 457 E N 1.141 121.196 120.200 -0.241 0.000 2.409 457 E HA -0.145 4.202 4.350 -0.004 0.000 0.198 457 E C 1.715 178.305 176.600 -0.016 0.000 1.024 457 E CA 0.521 56.575 56.400 -0.576 0.000 0.861 457 E CB -0.527 28.794 29.700 -0.632 0.000 0.788 457 E HN 0.526 nan 8.360 nan 0.000 0.521 458 I N -4.067 116.505 120.570 0.003 0.000 3.974 458 I HA 0.565 4.733 4.170 -0.004 0.000 0.334 458 I C 1.062 177.141 176.117 -0.064 0.000 1.437 458 I CA -0.062 61.237 61.300 -0.001 0.000 1.113 458 I CB 0.691 38.634 38.000 -0.096 0.000 1.063 458 I HN 0.014 nan 8.210 nan 0.000 0.400 459 G N 1.603 110.341 108.800 -0.102 0.000 2.136 459 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.242 459 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.242 459 G C 0.171 174.946 174.900 -0.207 0.000 0.989 459 G CA -0.009 44.975 45.100 -0.194 0.000 0.682 459 G HN 0.399 nan 8.290 nan 0.000 0.522 460 M N 0.532 120.016 119.600 -0.194 0.000 2.248 460 M HA 0.466 4.944 4.480 -0.004 0.000 0.337 460 M C 0.807 177.008 176.300 -0.165 0.000 1.121 460 M CA 1.126 56.312 55.300 -0.191 0.000 1.155 460 M CB 0.900 33.354 32.600 -0.243 0.000 1.514 460 M HN 0.590 nan 8.290 nan 0.000 0.452 461 A N 1.683 124.421 122.820 -0.137 0.000 2.443 461 A HA 1.044 5.362 4.320 -0.004 0.000 0.278 461 A C -0.252 177.287 177.584 -0.074 0.000 1.252 461 A CA -0.172 51.805 52.037 -0.099 0.000 0.816 461 A CB 1.736 20.674 19.000 -0.103 0.000 1.369 461 A HN 0.981 nan 8.150 nan 0.000 0.446 462 G N -2.341 106.429 108.800 -0.050 0.000 2.329 462 G HA2 0.601 4.559 3.960 -0.004 0.000 0.308 462 G HA3 0.601 4.559 3.960 -0.004 0.000 0.308 462 G C -0.376 174.510 174.900 -0.023 0.000 1.587 462 G CA 0.108 45.186 45.100 -0.037 0.000 0.978 462 G HN 1.931 nan 8.290 nan 0.000 0.685 463 A N 0.479 123.285 122.820 -0.024 0.000 2.267 463 A HA 0.873 5.191 4.320 -0.004 0.000 0.271 463 A C 1.273 178.845 177.584 -0.019 0.000 1.131 463 A CA 0.915 52.938 52.037 -0.023 0.000 0.818 463 A CB 0.342 19.328 19.000 -0.023 0.000 1.118 463 A HN 2.044 nan 8.150 nan 0.000 0.501 464 T N -0.328 114.210 114.554 -0.027 0.000 2.734 464 T HA 0.024 4.372 4.350 -0.004 0.000 0.314 464 T C 0.719 175.402 174.700 -0.028 0.000 1.057 464 T CA 0.067 62.144 62.100 -0.038 0.000 1.047 464 T CB -0.351 68.487 68.868 -0.050 0.000 0.991 464 T HN 0.748 nan 8.240 nan 0.000 0.540 465 N N 2.053 120.728 118.700 -0.043 0.000 2.036 465 N HA -0.082 4.655 4.740 -0.004 0.000 0.288 465 N C -1.624 173.891 175.510 0.009 0.000 1.293 465 N CA -0.739 52.295 53.050 -0.026 0.000 0.808 465 N CB 0.571 39.033 38.487 -0.041 0.000 1.040 465 N HN 0.452 nan 8.380 nan 0.000 0.489 466 P HA 0.118 nan 4.420 nan 0.000 0.266 466 P C -0.147 177.167 177.300 0.022 0.000 1.381 466 P CA 0.139 63.253 63.100 0.024 0.000 0.940 466 P CB 0.398 32.128 31.700 0.051 0.000 1.435 467 D N 0.281 120.689 120.400 0.012 0.000 2.347 467 D HA -0.091 4.547 4.640 -0.004 0.000 0.215 467 D C 1.475 177.772 176.300 -0.004 0.000 0.976 467 D CA 0.634 54.635 54.000 0.002 0.000 0.884 467 D CB -0.357 40.440 40.800 -0.005 0.000 0.915 467 D HN 0.210 nan 8.370 nan 0.000 0.526 468 C N -1.099 118.208 119.300 0.012 0.000 2.697 468 C HA 0.395 4.852 4.460 -0.004 0.000 0.267 468 C C 1.315 176.376 174.990 0.119 0.000 1.278 468 C CA -0.683 58.372 59.018 0.061 0.000 1.708 468 C CB -1.029 26.745 27.740 0.057 0.000 1.860 468 C HN -0.001 nan 8.230 nan 0.000 0.589 469 R N 1.215 121.747 120.500 0.053 0.000 3.039 469 R HA 0.277 4.614 4.340 -0.004 0.000 0.336 469 R C -0.069 176.266 176.300 0.059 0.000 1.258 469 R CA -0.177 55.967 56.100 0.074 0.000 1.125 469 R CB 0.031 30.252 30.300 -0.132 0.000 1.427 469 R HN 0.579 nan 8.270 nan 0.000 0.588 470 R N 1.182 121.667 120.500 -0.025 0.000 2.582 470 R HA 0.194 4.532 4.340 -0.004 0.000 0.271 470 R C -2.378 173.710 176.300 -0.353 0.000 1.078 470 R CA -2.026 53.937 56.100 -0.229 0.000 1.127 470 R CB -0.019 30.157 30.300 -0.208 0.000 1.038 470 R HN -0.120 nan 8.270 nan 0.000 0.500 471 P HA -0.125 nan 4.420 nan 0.000 0.260 471 P C -0.224 176.725 177.300 -0.586 0.000 1.172 471 P CA 0.223 62.567 63.100 -1.260 0.000 0.760 471 P CB 0.345 30.892 31.700 -1.922 0.000 0.773 472 M N 5.129 124.631 119.600 -0.164 0.000 2.251 472 M HA 0.037 4.514 4.480 -0.004 0.000 0.343 472 M C -0.539 175.593 176.300 -0.280 0.000 1.245 472 M CA 0.704 55.924 55.300 -0.134 0.000 1.061 472 M CB -0.461 31.995 32.600 -0.241 0.000 1.723 472 M HN 0.208 nan 8.290 nan 0.000 0.449 473 I N 6.470 126.787 120.570 -0.422 0.000 2.363 473 I HA -0.001 4.167 4.170 -0.004 0.000 0.292 473 I C -0.290 175.534 176.117 -0.488 0.000 1.075 473 I CA 0.333 61.452 61.300 -0.303 0.000 1.333 473 I CB 0.276 38.137 38.000 -0.232 0.000 1.415 473 I HN 0.908 nan 8.210 nan 0.000 0.502 474 W N 3.076 124.348 121.300 -0.046 0.000 3.107 474 W HA 0.136 4.794 4.660 -0.003 0.000 0.293 474 W C 0.788 177.223 176.519 -0.140 0.000 1.239 474 W CA -0.394 56.846 57.345 -0.176 0.000 1.653 474 W CB 0.573 29.893 29.460 -0.232 0.000 1.068 474 W HN 0.328 nan 8.180 nan 0.000 0.615 475 E N 1.875 122.138 120.200 0.104 0.000 2.220 475 E HA -0.037 4.311 4.350 -0.004 0.000 0.272 475 E C 0.842 177.450 176.600 0.014 0.000 1.099 475 E CA 0.375 56.807 56.400 0.054 0.000 0.907 475 E CB 0.792 30.518 29.700 0.042 0.000 1.022 475 E HN 0.423 nan 8.360 nan 0.000 0.428 476 E N 2.720 122.929 120.200 0.015 0.000 2.171 476 E HA -0.265 4.083 4.350 -0.004 0.000 0.197 476 E C 1.724 178.321 176.600 -0.005 0.000 0.997 476 E CA 1.191 57.590 56.400 -0.002 0.000 0.810 476 E CB 0.110 29.817 29.700 0.013 0.000 0.738 476 E HN 0.365 nan 8.360 nan 0.000 0.467 477 K N 0.883 121.284 120.400 0.003 0.000 2.097 477 K HA -0.163 4.155 4.320 -0.004 0.000 0.205 477 K C 1.673 178.268 176.600 -0.008 0.000 1.050 477 K CA 1.169 57.457 56.287 0.002 0.000 0.938 477 K CB 0.230 32.734 32.500 0.006 0.000 0.718 477 K HN -0.019 nan 8.250 nan 0.000 0.442 478 E N 0.826 121.016 120.200 -0.016 0.000 2.371 478 E HA -0.044 4.304 4.350 -0.004 0.000 0.194 478 E C 0.144 176.712 176.600 -0.054 0.000 1.012 478 E CA 0.498 56.879 56.400 -0.032 0.000 0.860 478 E CB 0.120 29.801 29.700 -0.032 0.000 0.811 478 E HN 0.489 nan 8.360 nan 0.000 0.502 479 Q N 1.385 121.149 119.800 -0.060 0.000 2.293 479 Q HA 0.134 4.472 4.340 -0.004 0.000 0.251 479 Q C 0.270 176.249 176.000 -0.035 0.000 0.930 479 Q CA -0.333 55.422 55.803 -0.079 0.000 0.893 479 Q CB 0.583 29.249 28.738 -0.120 0.000 1.215 479 Q HN -0.096 nan 8.270 nan 0.000 0.425 480 N N 2.422 121.110 118.700 -0.021 0.000 2.739 480 N HA -0.010 4.728 4.740 -0.004 0.000 0.266 480 N C 0.334 175.904 175.510 0.099 0.000 1.168 480 N CA 0.032 53.097 53.050 0.025 0.000 1.055 480 N CB 0.271 38.764 38.487 0.010 0.000 1.393 480 N HN 0.451 nan 8.380 nan 0.000 0.514 481 R N 1.516 122.075 120.500 0.098 0.000 2.127 481 R HA -0.087 4.251 4.340 -0.004 0.000 0.238 481 R C 1.827 178.269 176.300 0.237 0.000 1.134 481 R CA 1.169 57.378 56.100 0.181 0.000 0.975 481 R CB -1.167 29.212 30.300 0.132 0.000 0.865 481 R HN 0.520 nan 8.270 nan 0.000 0.447 482 G N 1.495 110.394 108.800 0.165 0.000 2.446 482 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.217 482 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.217 482 G C 1.460 176.503 174.900 0.238 0.000 1.168 482 G CA 0.601 45.798 45.100 0.162 0.000 0.771 482 G HN 0.262 nan 8.290 nan 0.000 0.551 483 L N -0.368 121.008 121.223 0.254 0.000 2.056 483 L HA 0.168 4.506 4.340 -0.004 0.000 0.207 483 L C 2.481 179.663 176.870 0.520 0.000 1.078 483 L CA 1.500 56.574 54.840 0.390 0.000 0.749 483 L CB -0.661 41.593 42.059 0.324 0.000 0.901 483 L HN 0.280 nan 8.230 nan 0.000 0.433 484 F N 0.181 120.265 119.950 0.223 0.000 2.091 484 F HA -0.263 4.262 4.527 -0.004 0.000 0.299 484 F C 2.381 178.301 175.800 0.201 0.000 1.103 484 F CA 1.715 59.815 58.000 0.166 0.000 1.228 484 F CB 0.052 39.118 39.000 0.109 0.000 0.984 484 F HN 0.140 nan 8.300 nan 0.000 0.477 485 E N -0.134 120.217 120.200 0.252 0.000 2.204 485 E HA -0.226 4.122 4.350 -0.004 0.000 0.194 485 E C 1.979 178.673 176.600 0.156 0.000 0.989 485 E CA 1.014 57.485 56.400 0.118 0.000 0.824 485 E CB -0.682 29.118 29.700 0.166 0.000 0.756 485 E HN 0.564 nan 8.360 nan 0.000 0.477 486 F N -0.024 119.995 119.950 0.115 0.000 2.113 486 F HA -0.246 4.279 4.527 -0.004 0.000 0.297 486 F C 2.101 177.944 175.800 0.072 0.000 1.103 486 F CA 1.064 59.123 58.000 0.098 0.000 1.248 486 F CB -0.121 38.968 39.000 0.148 0.000 0.999 486 F HN -0.057 nan 8.300 nan 0.000 0.475 487 Y N 1.190 121.473 120.300 -0.028 0.000 2.097 487 Y HA -0.263 4.284 4.550 -0.004 0.000 0.282 487 Y C 2.405 178.146 175.900 -0.266 0.000 1.152 487 Y CA 2.092 60.097 58.100 -0.158 0.000 1.136 487 Y CB -0.652 37.783 38.460 -0.040 0.000 0.975 487 Y HN -0.038 nan 8.280 nan 0.000 0.498 488 K N -0.152 120.159 120.400 -0.147 0.000 2.074 488 K HA -0.275 4.043 4.320 -0.004 0.000 0.209 488 K C 2.086 178.558 176.600 -0.212 0.000 1.048 488 K CA 1.882 58.014 56.287 -0.257 0.000 0.926 488 K CB -0.239 32.049 32.500 -0.355 0.000 0.713 488 K HN 0.395 nan 8.250 nan 0.000 0.444 489 E N 1.052 121.143 120.200 -0.181 0.000 2.051 489 E HA -0.172 4.176 4.350 -0.004 0.000 0.192 489 E C 2.013 178.479 176.600 -0.224 0.000 0.991 489 E CA 0.891 57.189 56.400 -0.170 0.000 0.799 489 E CB 0.017 29.648 29.700 -0.114 0.000 0.748 489 E HN 0.205 nan 8.360 nan 0.000 0.449 490 L N 0.653 121.677 121.223 -0.331 0.000 2.046 490 L HA -0.203 4.135 4.340 -0.004 0.000 0.208 490 L C 2.519 179.267 176.870 -0.204 0.000 1.077 490 L CA 0.939 55.587 54.840 -0.319 0.000 0.747 490 L CB -0.337 41.433 42.059 -0.482 0.000 0.896 490 L HN 0.276 nan 8.230 nan 0.000 0.432 491 I N -0.617 119.832 120.570 -0.203 0.000 2.226 491 I HA -0.280 3.888 4.170 -0.004 0.000 0.245 491 I C 2.746 178.676 176.117 -0.311 0.000 1.100 491 I CA 1.184 62.369 61.300 -0.191 0.000 1.374 491 I CB -0.281 37.591 38.000 -0.212 0.000 1.057 491 I HN 0.210 nan 8.210 nan 0.000 0.413 492 R N 0.682 121.006 120.500 -0.293 0.000 2.070 492 R HA -0.143 4.194 4.340 -0.004 0.000 0.233 492 R C 2.343 178.558 176.300 -0.142 0.000 1.137 492 R CA 1.335 57.278 56.100 -0.261 0.000 0.945 492 R CB -0.499 29.687 30.300 -0.190 0.000 0.845 492 R HN 0.304 nan 8.270 nan 0.000 0.430 493 L N 0.206 121.356 121.223 -0.123 0.000 2.079 493 L HA -0.202 4.135 4.340 -0.004 0.000 0.210 493 L C 2.794 179.632 176.870 -0.053 0.000 1.081 493 L CA 1.350 56.130 54.840 -0.100 0.000 0.752 493 L CB -0.389 41.610 42.059 -0.101 0.000 0.896 493 L HN 0.204 nan 8.230 nan 0.000 0.433 494 R N -0.743 119.761 120.500 0.006 0.000 2.081 494 R HA -0.181 4.157 4.340 -0.004 0.000 0.235 494 R C 2.267 178.626 176.300 0.098 0.000 1.131 494 R CA 1.495 57.630 56.100 0.059 0.000 0.960 494 R CB -0.116 30.244 30.300 0.100 0.000 0.856 494 R HN 0.393 nan 8.270 nan 0.000 0.436 495 H N -0.670 118.344 119.070 -0.093 0.000 2.495 495 H HA 0.071 4.625 4.556 -0.004 0.000 0.287 495 H C 1.675 176.946 175.328 -0.095 0.000 1.033 495 H CA 1.003 57.002 56.048 -0.081 0.000 1.307 495 H CB 0.184 29.903 29.762 -0.072 0.000 1.401 495 H HN 0.180 nan 8.280 nan 0.000 0.555 496 R N -0.241 120.260 120.500 0.001 0.000 2.189 496 R HA 0.207 4.545 4.340 -0.004 0.000 0.203 496 R C -0.038 176.167 176.300 -0.158 0.000 1.012 496 R CA 0.143 56.187 56.100 -0.094 0.000 1.015 496 R CB 0.522 30.737 30.300 -0.142 0.000 0.938 496 R HN 0.147 nan 8.270 nan 0.000 0.472 497 L N 1.415 122.550 121.223 -0.147 0.000 2.288 497 L HA 0.293 4.631 4.340 -0.004 0.000 0.283 497 L C 1.245 178.068 176.870 -0.077 0.000 1.072 497 L CA -0.511 54.233 54.840 -0.159 0.000 0.862 497 L CB 1.407 43.372 42.059 -0.156 0.000 1.245 497 L HN 0.111 nan 8.230 nan 0.000 0.432 498 A N 1.936 124.719 122.820 -0.063 0.000 1.997 498 A HA -0.237 4.081 4.320 -0.004 0.000 0.221 498 A C 2.365 179.934 177.584 -0.025 0.000 1.172 498 A CA 2.270 54.282 52.037 -0.042 0.000 0.645 498 A CB -0.366 18.617 19.000 -0.028 0.000 0.813 498 A HN 0.788 nan 8.150 nan 0.000 0.454 499 S N -0.371 115.331 115.700 0.004 0.000 2.447 499 S HA 0.012 4.479 4.470 -0.004 0.000 0.233 499 S C 1.656 176.265 174.600 0.014 0.000 1.006 499 S CA 1.178 59.394 58.200 0.027 0.000 0.957 499 S CB -0.561 62.687 63.200 0.080 0.000 0.773 499 S HN 0.490 nan 8.310 nan 0.000 0.507 500 L N 1.703 122.925 121.223 -0.001 0.000 2.395 500 L HA 0.026 4.364 4.340 -0.004 0.000 0.218 500 L C 2.733 179.575 176.870 -0.047 0.000 1.130 500 L CA 1.389 56.226 54.840 -0.004 0.000 0.826 500 L CB -0.676 41.380 42.059 -0.006 0.000 0.941 500 L HN 0.659 nan 8.230 nan 0.000 0.451 501 T N -4.500 110.013 114.554 -0.068 0.000 3.026 501 T HA 0.075 4.423 4.350 -0.004 0.000 0.245 501 T C 1.671 176.310 174.700 -0.102 0.000 1.004 501 T CA -0.242 61.796 62.100 -0.104 0.000 1.069 501 T CB 0.187 68.978 68.868 -0.129 0.000 1.005 501 T HN 0.139 nan 8.240 nan 0.000 0.472 502 R N 0.976 121.430 120.500 -0.077 0.000 2.543 502 R HA 0.477 4.814 4.340 -0.004 0.000 0.323 502 R C 0.942 177.211 176.300 -0.051 0.000 1.002 502 R CA -0.235 55.822 56.100 -0.072 0.000 1.106 502 R CB 1.068 31.330 30.300 -0.063 0.000 1.280 502 R HN 0.430 nan 8.270 nan 0.000 0.549 503 G N 0.598 109.376 108.800 -0.036 0.000 2.477 503 G HA2 0.142 4.100 3.960 -0.004 0.000 0.304 503 G HA3 0.142 4.100 3.960 -0.004 0.000 0.304 503 G C -0.370 174.515 174.900 -0.024 0.000 1.175 503 G CA -0.759 44.336 45.100 -0.009 0.000 0.907 503 G HN 0.349 nan 8.290 nan 0.000 0.509 504 N N -2.001 116.696 118.700 -0.004 0.000 2.364 504 N HA 0.455 5.193 4.740 -0.004 0.000 0.264 504 N C -0.859 174.656 175.510 0.008 0.000 1.263 504 N CA -0.761 52.278 53.050 -0.017 0.000 0.959 504 N CB 1.286 39.770 38.487 -0.004 0.000 1.204 504 N HN 0.225 nan 8.380 nan 0.000 0.550 505 V N -0.130 119.785 119.914 0.002 0.000 2.588 505 V HA 0.517 4.635 4.120 -0.004 0.000 0.304 505 V C -0.464 175.689 176.094 0.098 0.000 1.042 505 V CA -0.851 61.493 62.300 0.074 0.000 0.877 505 V CB 1.300 33.121 31.823 -0.002 0.000 0.996 505 V HN 0.688 nan 8.190 nan 0.000 0.425 506 R N 1.977 122.574 120.500 0.162 0.000 2.514 506 R HA 0.483 4.821 4.340 -0.004 0.000 0.296 506 R C -0.560 175.876 176.300 0.227 0.000 1.012 506 R CA -0.568 55.612 56.100 0.134 0.000 0.897 506 R CB 2.139 32.469 30.300 0.050 0.000 1.184 506 R HN 0.716 nan 8.270 nan 0.000 0.440 507 S N 1.882 117.729 115.700 0.244 0.000 2.549 507 S HA -0.011 4.457 4.470 -0.004 0.000 0.286 507 S C 0.407 175.181 174.600 0.289 0.000 1.314 507 S CA -0.115 58.272 58.200 0.311 0.000 1.062 507 S CB 0.436 63.829 63.200 0.321 0.000 0.865 507 S HN 0.642 nan 8.310 nan 0.000 0.498 508 W N 3.278 124.591 121.300 0.023 0.000 2.777 508 W HA 0.262 4.920 4.660 -0.003 0.000 0.260 508 W C 0.499 177.053 176.519 0.058 0.000 1.194 508 W CA 0.613 57.957 57.345 -0.002 0.000 1.447 508 W CB 0.089 29.507 29.460 -0.071 0.000 1.009 508 W HN 0.738 nan 8.180 nan 0.000 0.613 509 H N -0.544 118.515 119.070 -0.018 0.000 3.112 509 H HA 0.507 5.061 4.556 -0.004 0.000 0.347 509 H C -1.694 173.649 175.328 0.025 0.000 1.188 509 H CA 0.163 56.149 56.048 -0.103 0.000 1.240 509 H CB 1.721 31.273 29.762 -0.349 0.000 1.920 509 H HN -0.125 nan 8.280 nan 0.000 0.535 510 A N 3.876 126.510 122.820 -0.311 0.000 2.509 510 A HA 0.309 4.627 4.320 -0.004 0.000 0.282 510 A C -1.751 175.728 177.584 -0.174 0.000 1.054 510 A CA -0.663 51.383 52.037 0.014 0.000 0.820 510 A CB 1.219 20.323 19.000 0.173 0.000 1.333 510 A HN 0.557 nan 8.150 nan 0.000 0.409 511 D N 2.637 123.017 120.400 -0.034 0.000 2.505 511 D HA 0.237 4.875 4.640 -0.004 0.000 0.250 511 D C 1.003 177.285 176.300 -0.030 0.000 1.164 511 D CA -0.450 53.524 54.000 -0.044 0.000 0.870 511 D CB 1.489 42.335 40.800 0.077 0.000 1.160 511 D HN 0.566 nan 8.370 nan 0.000 0.549 512 K N 2.684 122.994 120.400 -0.150 0.000 2.211 512 K HA -0.189 4.128 4.320 -0.004 0.000 0.203 512 K C 1.293 177.780 176.600 -0.188 0.000 1.050 512 K CA 0.924 57.011 56.287 -0.333 0.000 0.945 512 K CB 0.246 32.306 32.500 -0.733 0.000 0.732 512 K HN 0.187 nan 8.250 nan 0.000 0.451 513 Q N 1.207 120.940 119.800 -0.112 0.000 2.062 513 Q HA 0.092 4.430 4.340 -0.004 0.000 0.196 513 Q C 1.978 177.958 176.000 -0.034 0.000 0.967 513 Q CA 1.924 57.687 55.803 -0.067 0.000 0.832 513 Q CB -0.236 28.470 28.738 -0.053 0.000 0.899 513 Q HN 0.442 nan 8.270 nan 0.000 0.442 514 A N -0.196 122.618 122.820 -0.010 0.000 2.123 514 A HA 0.073 4.391 4.320 -0.004 0.000 0.214 514 A C 0.695 178.287 177.584 0.014 0.000 1.152 514 A CA 0.757 52.793 52.037 -0.002 0.000 0.728 514 A CB -0.336 18.673 19.000 0.015 0.000 0.814 514 A HN 0.591 nan 8.150 nan 0.000 0.464 515 N N -2.091 116.638 118.700 0.049 0.000 2.740 515 N HA -0.156 4.582 4.740 -0.004 0.000 0.248 515 N C -0.682 174.930 175.510 0.170 0.000 1.062 515 N CA 0.702 53.822 53.050 0.116 0.000 0.704 515 N CB -1.676 36.837 38.487 0.043 0.000 0.968 515 N HN 0.451 nan 8.380 nan 0.000 0.547 516 L N 1.085 122.419 121.223 0.186 0.000 2.317 516 L HA 0.671 5.009 4.340 -0.004 0.000 0.281 516 L C -0.763 176.313 176.870 0.344 0.000 1.024 516 L CA -0.780 54.187 54.840 0.213 0.000 0.810 516 L CB 1.154 43.278 42.059 0.109 0.000 1.240 516 L HN 0.211 nan 8.230 nan 0.000 0.427 517 Y N 4.224 124.661 120.300 0.228 0.000 2.492 517 Y HA 0.799 5.347 4.550 -0.003 0.000 0.346 517 Y C -1.063 175.011 175.900 0.290 0.000 0.997 517 Y CA -0.548 57.693 58.100 0.236 0.000 1.025 517 Y CB 1.842 40.410 38.460 0.180 0.000 1.263 517 Y HN 0.792 nan 8.280 nan 0.000 0.454 518 A N 5.225 127.694 122.820 -0.585 0.000 2.539 518 A HA 0.821 5.139 4.320 -0.004 0.000 0.296 518 A C -1.993 175.457 177.584 -0.223 0.000 1.073 518 A CA -0.540 51.308 52.037 -0.315 0.000 0.700 518 A CB 1.067 19.894 19.000 -0.288 0.000 1.296 518 A HN 0.896 nan 8.150 nan 0.000 0.405 519 F N -0.747 119.199 119.950 -0.007 0.000 2.664 519 F HA 0.853 5.378 4.527 -0.004 0.000 0.317 519 F C -1.217 174.696 175.800 0.187 0.000 1.108 519 F CA -1.452 56.625 58.000 0.128 0.000 0.957 519 F CB 1.245 40.364 39.000 0.197 0.000 1.365 519 F HN 0.357 nan 8.300 nan 0.000 0.475 520 V N 2.358 122.351 119.914 0.132 0.000 2.588 520 V HA 0.588 4.706 4.120 -0.004 0.000 0.304 520 V C -0.621 175.506 176.094 0.055 0.000 1.042 520 V CA -0.804 61.417 62.300 -0.132 0.000 0.877 520 V CB 1.786 33.345 31.823 -0.440 0.000 0.996 520 V HN 0.690 nan 8.190 nan 0.000 0.425 521 R N 2.416 122.949 120.500 0.054 0.000 2.346 521 R HA 0.716 5.054 4.340 -0.004 0.000 0.311 521 R C -0.546 175.815 176.300 0.102 0.000 0.983 521 R CA -0.383 55.786 56.100 0.116 0.000 0.880 521 R CB 1.707 32.087 30.300 0.133 0.000 1.100 521 R HN 0.707 nan 8.270 nan 0.000 0.453 522 T N 1.197 115.815 114.554 0.108 0.000 2.886 522 T HA 0.440 4.788 4.350 -0.004 0.000 0.292 522 T C -1.121 173.640 174.700 0.102 0.000 1.012 522 T CA -0.606 61.604 62.100 0.183 0.000 0.982 522 T CB 2.104 71.110 68.868 0.230 0.000 1.018 522 T HN 0.280 nan 8.240 nan 0.000 0.451 523 V N 3.885 123.848 119.914 0.082 0.000 2.711 523 V HA 0.540 4.658 4.120 -0.004 0.000 0.304 523 V C 0.005 176.103 176.094 0.007 0.000 1.097 523 V CA -0.173 62.147 62.300 0.032 0.000 0.906 523 V CB 1.484 33.318 31.823 0.019 0.000 1.015 523 V HN 1.008 nan 8.190 nan 0.000 0.427 524 Q N 3.839 123.636 119.800 -0.005 0.000 1.786 524 Q HA -0.247 4.090 4.340 -0.004 0.000 0.369 524 Q C 0.516 176.475 176.000 -0.068 0.000 0.796 524 Q CA 2.598 58.386 55.803 -0.025 0.000 0.877 524 Q CB -0.979 27.748 28.738 -0.019 0.000 3.276 524 Q HN 0.900 nan 8.270 nan 0.000 0.718 525 D N 0.089 120.428 120.400 -0.101 0.000 2.369 525 D HA 0.055 4.693 4.640 -0.004 0.000 0.211 525 D C -0.075 176.035 176.300 -0.317 0.000 1.077 525 D CA 0.168 54.044 54.000 -0.207 0.000 0.842 525 D CB 0.115 40.826 40.800 -0.147 0.000 0.947 525 D HN 0.316 nan 8.370 nan 0.000 0.509 526 Q N 0.957 120.667 119.800 -0.151 0.000 2.304 526 Q HA 0.104 4.442 4.340 -0.004 0.000 0.260 526 Q C -0.960 175.032 176.000 -0.013 0.000 0.965 526 Q CA 0.202 55.983 55.803 -0.036 0.000 0.898 526 Q CB 0.497 29.315 28.738 0.134 0.000 1.196 526 Q HN 0.227 nan 8.270 nan 0.000 0.402 527 H N 1.753 120.882 119.070 0.099 0.000 2.689 527 H HA 0.463 5.016 4.556 -0.004 0.000 0.346 527 H C -1.321 174.087 175.328 0.134 0.000 1.037 527 H CA -1.059 55.028 56.048 0.065 0.000 1.234 527 H CB 1.934 31.707 29.762 0.019 0.000 1.572 527 H HN 0.339 nan 8.280 nan 0.000 0.524 528 V N 3.264 123.300 119.914 0.203 0.000 2.376 528 V HA 0.373 4.491 4.120 -0.004 0.000 0.287 528 V C 0.380 176.454 176.094 -0.034 0.000 1.015 528 V CA -0.705 61.686 62.300 0.152 0.000 0.834 528 V CB 1.499 33.407 31.823 0.142 0.000 1.001 528 V HN 0.946 nan 8.190 nan 0.000 0.428 529 G N 3.869 112.622 108.800 -0.078 0.000 2.320 529 G HA2 0.534 4.492 3.960 -0.004 0.000 0.300 529 G HA3 0.534 4.492 3.960 -0.004 0.000 0.300 529 G C -0.701 174.191 174.900 -0.013 0.000 1.126 529 G CA -0.295 44.716 45.100 -0.148 0.000 0.896 529 G HN 0.519 nan 8.290 nan 0.000 0.436 530 V N 3.475 123.231 119.914 -0.264 0.000 2.347 530 V HA 0.298 4.416 4.120 -0.004 0.000 0.280 530 V C -0.066 175.942 176.094 -0.143 0.000 1.021 530 V CA -0.608 61.506 62.300 -0.309 0.000 0.847 530 V CB 1.401 32.767 31.823 -0.763 0.000 0.990 530 V HN 0.507 nan 8.190 nan 0.000 0.444 531 V N 6.977 126.884 119.914 -0.012 0.000 2.370 531 V HA 0.479 4.597 4.120 -0.004 0.000 0.283 531 V C -0.197 175.954 176.094 0.095 0.000 1.023 531 V CA -0.477 61.806 62.300 -0.030 0.000 0.857 531 V CB 1.511 33.247 31.823 -0.146 0.000 0.985 531 V HN 0.640 nan 8.190 nan 0.000 0.443 532 L N 4.242 125.577 121.223 0.187 0.000 2.298 532 L HA 0.519 4.856 4.340 -0.004 0.000 0.284 532 L C 0.015 177.017 176.870 0.221 0.000 1.013 532 L CA -0.467 54.550 54.840 0.295 0.000 0.824 532 L CB 1.373 43.751 42.059 0.532 0.000 1.221 532 L HN 0.583 nan 8.230 nan 0.000 0.418 533 N N 2.299 121.086 118.700 0.145 0.000 2.918 533 N HA 0.024 4.762 4.740 -0.004 0.000 0.247 533 N C 0.048 175.578 175.510 0.032 0.000 1.117 533 N CA -0.191 52.890 53.050 0.052 0.000 1.005 533 N CB 0.197 38.673 38.487 -0.018 0.000 1.297 533 N HN 0.425 nan 8.380 nan 0.000 0.513 534 N N 2.282 121.015 118.700 0.055 0.000 3.254 534 N HA 0.114 4.851 4.740 -0.004 0.000 0.308 534 N C -1.014 174.394 175.510 -0.171 0.000 1.281 534 N CA 0.024 53.054 53.050 -0.033 0.000 1.212 534 N CB -0.258 37.986 38.487 -0.406 0.000 1.478 534 N HN 0.491 nan 8.380 nan 0.000 0.548 535 R N -0.686 119.578 120.500 -0.392 0.000 2.594 535 R HA 0.383 4.721 4.340 -0.004 0.000 0.265 535 R C -0.319 175.427 176.300 -0.923 0.000 1.070 535 R CA -0.788 55.026 56.100 -0.476 0.000 0.909 535 R CB 0.920 31.078 30.300 -0.238 0.000 1.243 535 R HN 0.249 nan 8.270 nan 0.000 0.455 536 G N 2.883 111.229 108.800 -0.756 0.000 3.197 536 G HA2 0.153 4.111 3.960 -0.004 0.000 0.257 536 G HA3 0.153 4.111 3.960 -0.004 0.000 0.257 536 G C -0.477 174.267 174.900 -0.261 0.000 0.835 536 G CA 0.377 45.148 45.100 -0.550 0.000 2.001 536 G HN 0.399 nan 8.290 nan 0.000 0.625 537 E N 0.146 120.179 120.200 -0.279 0.000 2.381 537 E HA 0.097 4.445 4.350 -0.004 0.000 0.286 537 E C -0.932 175.587 176.600 -0.135 0.000 0.960 537 E CA -0.736 55.572 56.400 -0.154 0.000 0.793 537 E CB 1.697 31.324 29.700 -0.122 0.000 1.225 537 E HN 0.312 nan 8.360 nan 0.000 0.420 538 K N 2.963 123.310 120.400 -0.088 0.000 2.412 538 K HA 0.088 4.405 4.320 -0.004 0.000 0.284 538 K C -0.452 176.107 176.600 -0.067 0.000 1.046 538 K CA 0.577 56.823 56.287 -0.068 0.000 0.999 538 K CB 0.516 32.990 32.500 -0.044 0.000 0.941 538 K HN 0.365 nan 8.250 nan 0.000 0.474 539 Q N 2.099 121.856 119.800 -0.072 0.000 2.451 539 Q HA 0.339 4.677 4.340 -0.004 0.000 0.281 539 Q C -1.088 174.870 176.000 -0.072 0.000 1.099 539 Q CA -1.064 54.697 55.803 -0.070 0.000 0.806 539 Q CB 2.598 31.290 28.738 -0.077 0.000 1.419 539 Q HN 0.532 nan 8.270 nan 0.000 0.427 540 T N 0.760 115.270 114.554 -0.072 0.000 2.856 540 T HA 0.561 4.909 4.350 -0.004 0.000 0.283 540 T C -1.274 173.358 174.700 -0.113 0.000 1.008 540 T CA -0.581 61.470 62.100 -0.082 0.000 0.997 540 T CB 1.635 70.467 68.868 -0.060 0.000 0.992 540 T HN 0.330 nan 8.240 nan 0.000 0.454 541 V N 3.799 123.616 119.914 -0.161 0.000 2.841 541 V HA 0.740 4.858 4.120 -0.004 0.000 0.310 541 V C -1.709 174.237 176.094 -0.246 0.000 1.090 541 V CA -1.037 61.118 62.300 -0.242 0.000 0.930 541 V CB 1.978 33.565 31.823 -0.394 0.000 1.014 541 V HN 0.727 nan 8.190 nan 0.000 0.425 542 L N 7.028 128.116 121.223 -0.226 0.000 2.277 542 L HA 0.616 4.954 4.340 -0.004 0.000 0.284 542 L C -0.794 175.943 176.870 -0.223 0.000 1.028 542 L CA 0.138 54.877 54.840 -0.168 0.000 0.835 542 L CB 0.900 42.912 42.059 -0.079 0.000 1.215 542 L HN 0.641 nan 8.230 nan 0.000 0.425 543 L N 4.272 125.330 121.223 -0.276 0.000 2.322 543 L HA 0.475 4.812 4.340 -0.004 0.000 0.279 543 L C 0.018 176.862 176.870 -0.044 0.000 1.036 543 L CA -0.855 53.801 54.840 -0.307 0.000 0.807 543 L CB 1.380 43.027 42.059 -0.685 0.000 1.226 543 L HN 0.483 nan 8.230 nan 0.000 0.433 544 Q N 3.038 122.891 119.800 0.089 0.000 2.304 544 Q HA 0.325 4.663 4.340 -0.004 0.000 0.260 544 Q C -0.547 175.618 176.000 0.276 0.000 0.965 544 Q CA -0.193 55.711 55.803 0.169 0.000 0.898 544 Q CB 1.901 30.738 28.738 0.165 0.000 1.196 544 Q HN 0.498 nan 8.270 nan 0.000 0.402 545 V N -0.059 119.977 119.914 0.204 0.000 2.629 545 V HA 0.333 4.451 4.120 -0.004 0.000 0.263 545 V C -2.532 173.694 176.094 0.219 0.000 0.959 545 V CA -2.020 60.413 62.300 0.220 0.000 0.869 545 V CB 1.249 33.205 31.823 0.223 0.000 1.060 545 V HN 0.551 nan 8.190 nan 0.000 0.474 546 P HA 0.178 nan 4.420 nan 0.000 0.265 546 P C 0.762 178.148 177.300 0.143 0.000 1.193 546 P CA 0.268 63.445 63.100 0.129 0.000 0.765 546 P CB 1.164 32.920 31.700 0.094 0.000 0.823 547 E N 1.377 121.644 120.200 0.111 0.000 2.393 547 E HA -0.176 4.171 4.350 -0.004 0.000 0.201 547 E C 1.822 178.451 176.600 0.048 0.000 1.025 547 E CA 1.491 57.937 56.400 0.077 0.000 0.856 547 E CB -0.203 29.525 29.700 0.046 0.000 0.771 547 E HN 0.579 nan 8.360 nan 0.000 0.526 548 S N 0.024 115.761 115.700 0.063 0.000 2.399 548 S HA -0.095 4.373 4.470 -0.004 0.000 0.231 548 S C 1.977 176.616 174.600 0.065 0.000 1.022 548 S CA 0.982 59.212 58.200 0.051 0.000 0.983 548 S CB -0.205 63.030 63.200 0.060 0.000 0.803 548 S HN 0.298 nan 8.310 nan 0.000 0.480 549 G N 0.305 109.182 108.800 0.129 0.000 3.189 549 G HA2 0.537 4.495 3.960 -0.004 0.000 0.225 549 G HA3 0.537 4.495 3.960 -0.004 0.000 0.225 549 G C 0.569 175.533 174.900 0.107 0.000 1.159 549 G CA -0.044 45.187 45.100 0.218 0.000 0.763 549 G HN 1.183 nan 8.290 nan 0.000 0.549 550 G N -0.484 108.293 108.800 -0.039 0.000 2.484 550 G HA2 0.060 4.018 3.960 -0.004 0.000 0.685 550 G HA3 0.060 4.018 3.960 -0.004 0.000 0.685 550 G C -0.185 174.429 174.900 -0.477 0.000 1.294 550 G CA -0.547 44.357 45.100 -0.325 0.000 0.879 550 G HN 0.006 nan 8.290 nan 0.000 0.646 551 K N -0.706 119.308 120.400 -0.644 0.000 2.438 551 K HA 0.355 4.673 4.320 -0.004 0.000 0.206 551 K C 0.581 176.797 176.600 -0.639 0.000 1.081 551 K CA 0.746 56.751 56.287 -0.471 0.000 1.053 551 K CB 1.134 33.558 32.500 -0.126 0.000 0.908 551 K HN 0.829 nan 8.250 nan 0.000 0.556 552 T N -0.060 113.851 114.554 -1.071 0.000 2.916 552 T HA 0.576 4.924 4.350 -0.004 0.000 0.298 552 T C -1.750 172.397 174.700 -0.921 0.000 1.031 552 T CA -0.558 61.126 62.100 -0.693 0.000 0.993 552 T CB 0.855 69.494 68.868 -0.382 0.000 1.045 552 T HN 0.037 nan 8.240 nan 0.000 0.454 553 W N 3.939 125.127 121.300 -0.187 0.000 3.033 553 W HA 0.609 5.267 4.660 -0.003 0.000 0.336 553 W C -1.228 175.232 176.519 -0.097 0.000 1.173 553 W CA -0.972 56.297 57.345 -0.127 0.000 1.185 553 W CB 2.085 31.524 29.460 -0.035 0.000 1.425 553 W HN 0.539 nan 8.180 nan 0.000 0.536 554 L N 2.729 124.075 121.223 0.204 0.000 2.333 554 L HA 0.322 4.659 4.340 -0.004 0.000 0.280 554 L C -0.225 176.782 176.870 0.228 0.000 1.004 554 L CA 0.003 54.954 54.840 0.186 0.000 0.820 554 L CB 0.963 43.154 42.059 0.221 0.000 1.247 554 L HN 0.208 nan 8.230 nan 0.000 0.416 555 D N 3.756 124.254 120.400 0.164 0.000 2.344 555 D HA 0.063 4.701 4.640 -0.004 0.000 0.253 555 D C 0.794 177.174 176.300 0.133 0.000 1.255 555 D CA -0.074 54.011 54.000 0.143 0.000 0.894 555 D CB 0.840 41.704 40.800 0.106 0.000 1.067 555 D HN 0.724 nan 8.370 nan 0.000 0.492 556 C N 3.625 123.008 119.300 0.139 0.000 2.443 556 C HA -0.031 4.427 4.460 -0.004 0.000 0.290 556 C C 2.403 177.432 174.990 0.064 0.000 1.476 556 C CA 0.082 59.157 59.018 0.095 0.000 1.772 556 C CB -1.081 26.694 27.740 0.058 0.000 1.714 556 C HN 0.680 nan 8.230 nan 0.000 0.562 557 L N 0.293 121.564 121.223 0.080 0.000 2.463 557 L HA 0.029 4.366 4.340 -0.004 0.000 0.219 557 L C 2.467 179.391 176.870 0.091 0.000 1.088 557 L CA 1.561 56.452 54.840 0.086 0.000 0.849 557 L CB -0.259 41.871 42.059 0.118 0.000 1.012 557 L HN 0.504 nan 8.230 nan 0.000 0.468 558 T N -6.132 108.473 114.554 0.086 0.000 2.958 558 T HA 0.282 4.629 4.350 -0.004 0.000 0.256 558 T C 1.388 176.131 174.700 0.071 0.000 0.983 558 T CA 0.593 62.739 62.100 0.077 0.000 0.924 558 T CB 1.166 70.078 68.868 0.075 0.000 1.136 558 T HN 0.256 nan 8.240 nan 0.000 0.506 559 G N 1.634 110.480 108.800 0.078 0.000 2.195 559 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.246 559 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.246 559 G C -0.126 174.820 174.900 0.077 0.000 0.984 559 G CA 0.220 45.367 45.100 0.078 0.000 0.633 559 G HN 0.900 nan 8.290 nan 0.000 0.525 560 E N 0.962 121.207 120.200 0.076 0.000 2.414 560 E HA 0.350 4.698 4.350 -0.004 0.000 0.263 560 E C -0.099 176.542 176.600 0.068 0.000 1.000 560 E CA -0.068 56.374 56.400 0.070 0.000 0.914 560 E CB 0.321 30.061 29.700 0.067 0.000 0.948 560 E HN 0.429 nan 8.360 nan 0.000 0.444 561 E N 3.726 123.956 120.200 0.050 0.000 2.133 561 E HA 0.287 4.635 4.350 -0.004 0.000 0.274 561 E C -0.983 175.575 176.600 -0.070 0.000 0.930 561 E CA -0.870 55.519 56.400 -0.019 0.000 0.770 561 E CB 1.424 31.102 29.700 -0.037 0.000 1.104 561 E HN 0.401 nan 8.360 nan 0.000 0.403 562 V N 1.672 121.538 119.914 -0.080 0.000 2.667 562 V HA 0.616 4.734 4.120 -0.004 0.000 0.308 562 V C -1.026 175.002 176.094 -0.109 0.000 1.048 562 V CA -0.701 61.598 62.300 -0.001 0.000 0.928 562 V CB 1.492 33.382 31.823 0.112 0.000 1.004 562 V HN 0.686 nan 8.190 nan 0.000 0.444 563 H N 1.523 120.721 119.070 0.213 0.000 2.572 563 H HA 0.808 5.362 4.556 -0.004 0.000 0.359 563 H C 0.417 175.903 175.328 0.264 0.000 1.134 563 H CA 0.261 56.440 56.048 0.219 0.000 1.187 563 H CB 2.029 31.852 29.762 0.102 0.000 1.597 563 H HN 1.163 nan 8.280 nan 0.000 0.524 564 G N 0.939 110.022 108.800 0.471 0.000 2.389 564 G HA2 0.527 4.485 3.960 -0.004 0.000 0.317 564 G HA3 0.527 4.485 3.960 -0.004 0.000 0.317 564 G C -1.020 174.019 174.900 0.232 0.000 1.137 564 G CA -1.048 44.280 45.100 0.380 0.000 0.870 564 G HN 0.540 nan 8.290 nan 0.000 0.496 565 K N 0.647 121.144 120.400 0.161 0.000 2.413 565 K HA 0.494 4.812 4.320 -0.004 0.000 0.257 565 K C -0.108 176.546 176.600 0.090 0.000 0.946 565 K CA -0.955 55.396 56.287 0.106 0.000 0.823 565 K CB 1.655 34.201 32.500 0.076 0.000 1.109 565 K HN 0.578 nan 8.250 nan 0.000 0.427 566 Q N 1.668 121.515 119.800 0.079 0.000 2.453 566 Q HA -0.229 4.108 4.340 -0.004 0.000 0.330 566 Q C 0.445 176.494 176.000 0.081 0.000 1.417 566 Q CA 0.815 56.659 55.803 0.068 0.000 0.902 566 Q CB -2.065 26.703 28.738 0.050 0.000 1.154 566 Q HN 1.308 nan 8.270 nan 0.000 0.395 567 G N -0.276 108.589 108.800 0.108 0.000 2.198 567 G HA2 -0.332 3.626 3.960 -0.004 0.000 0.260 567 G HA3 -0.332 3.626 3.960 -0.004 0.000 0.260 567 G C -0.129 174.845 174.900 0.123 0.000 1.025 567 G CA 0.757 45.931 45.100 0.124 0.000 0.769 567 G HN 0.440 nan 8.290 nan 0.000 0.507 568 Q N -1.352 118.521 119.800 0.122 0.000 2.379 568 Q HA 0.717 5.054 4.340 -0.004 0.000 0.278 568 Q C -1.001 175.052 176.000 0.087 0.000 1.068 568 Q CA -0.852 55.002 55.803 0.086 0.000 0.816 568 Q CB 2.572 31.342 28.738 0.052 0.000 1.387 568 Q HN 0.221 nan 8.270 nan 0.000 0.413 569 L N 2.133 123.367 121.223 0.018 0.000 2.372 569 L HA 0.508 4.845 4.340 -0.004 0.000 0.274 569 L C -1.185 175.642 176.870 -0.073 0.000 0.988 569 L CA -0.479 54.352 54.840 -0.015 0.000 0.833 569 L CB 1.497 43.478 42.059 -0.130 0.000 1.236 569 L HN 0.470 nan 8.230 nan 0.000 0.410 570 K N 5.943 126.326 120.400 -0.028 0.000 2.264 570 K HA 0.578 4.895 4.320 -0.004 0.000 0.277 570 K C -1.407 175.160 176.600 -0.055 0.000 1.067 570 K CA -0.435 55.821 56.287 -0.051 0.000 0.900 570 K CB 0.708 33.199 32.500 -0.015 0.000 1.124 570 K HN 0.546 nan 8.250 nan 0.000 0.469 571 L N 2.903 124.063 121.223 -0.105 0.000 2.346 571 L HA 0.446 4.784 4.340 -0.004 0.000 0.274 571 L C -0.359 176.461 176.870 -0.085 0.000 1.007 571 L CA -0.948 53.836 54.840 -0.093 0.000 0.818 571 L CB 2.300 44.272 42.059 -0.145 0.000 1.284 571 L HN 0.521 nan 8.230 nan 0.000 0.424 572 T N 3.951 118.474 114.554 -0.052 0.000 2.842 572 T HA 0.483 4.831 4.350 -0.004 0.000 0.308 572 T C -0.390 174.287 174.700 -0.038 0.000 1.041 572 T CA -0.463 61.610 62.100 -0.045 0.000 0.964 572 T CB 0.729 69.581 68.868 -0.026 0.000 0.972 572 T HN 0.126 nan 8.240 nan 0.000 0.460 573 L N 3.415 124.608 121.223 -0.050 0.000 2.307 573 L HA 0.536 4.874 4.340 -0.004 0.000 0.282 573 L C 0.901 177.750 176.870 -0.036 0.000 1.051 573 L CA -0.472 54.346 54.840 -0.036 0.000 0.804 573 L CB 1.148 43.181 42.059 -0.043 0.000 1.197 573 L HN 0.488 nan 8.230 nan 0.000 0.431 574 R N 2.578 123.068 120.500 -0.018 0.000 2.583 574 R HA 0.311 4.649 4.340 -0.004 0.000 0.268 574 R C -2.159 174.114 176.300 -0.046 0.000 1.101 574 R CA -1.628 54.459 56.100 -0.022 0.000 1.180 574 R CB 0.105 30.408 30.300 0.004 0.000 1.128 574 R HN 0.354 nan 8.270 nan 0.000 0.568 575 P HA -0.127 nan 4.420 nan 0.000 0.258 575 P C -1.036 176.223 177.300 -0.068 0.000 1.172 575 P CA 0.916 63.905 63.100 -0.184 0.000 0.762 575 P CB -0.029 31.608 31.700 -0.104 0.000 0.764 576 Y N -0.598 119.708 120.300 0.010 0.000 3.825 576 Y HA -0.283 4.264 4.550 -0.004 0.000 0.221 576 Y C 0.914 176.840 175.900 0.044 0.000 1.195 576 Y CA 0.354 58.472 58.100 0.029 0.000 1.699 576 Y CB -1.936 36.535 38.460 0.018 0.000 1.531 576 Y HN 0.455 nan 8.280 nan 0.000 0.640 577 Q N 1.004 120.875 119.800 0.117 0.000 2.235 577 Q HA 0.615 4.953 4.340 -0.004 0.000 0.250 577 Q C 0.437 176.516 176.000 0.131 0.000 0.909 577 Q CA 0.022 55.891 55.803 0.110 0.000 0.910 577 Q CB 1.536 30.312 28.738 0.063 0.000 1.223 577 Q HN 0.385 nan 8.270 nan 0.000 0.432 578 G N 3.055 111.949 108.800 0.156 0.000 2.482 578 G HA2 0.641 4.598 3.960 -0.004 0.000 0.317 578 G HA3 0.641 4.598 3.960 -0.004 0.000 0.317 578 G C -1.050 173.930 174.900 0.134 0.000 1.241 578 G CA -0.667 44.535 45.100 0.171 0.000 0.967 578 G HN 0.597 nan 8.290 nan 0.000 0.482 579 M N 1.179 120.839 119.600 0.101 0.000 2.465 579 M HA 0.483 4.961 4.480 -0.004 0.000 0.316 579 M C -0.861 175.485 176.300 0.078 0.000 1.121 579 M CA -0.519 54.830 55.300 0.081 0.000 0.934 579 M CB 2.922 35.550 32.600 0.046 0.000 1.692 579 M HN 0.242 nan 8.290 nan 0.000 0.444 580 I N 4.393 125.015 120.570 0.087 0.000 2.555 580 I HA 0.302 4.470 4.170 -0.004 0.000 0.275 580 I C -0.988 175.209 176.117 0.134 0.000 1.082 580 I CA -0.317 61.033 61.300 0.082 0.000 1.167 580 I CB 0.606 38.645 38.000 0.066 0.000 1.312 580 I HN 0.501 nan 8.210 nan 0.000 0.493 581 L N 4.746 126.056 121.223 0.146 0.000 2.283 581 L HA 0.251 4.588 4.340 -0.004 0.000 0.287 581 L C -0.575 176.508 176.870 0.355 0.000 1.073 581 L CA -0.256 54.721 54.840 0.227 0.000 0.822 581 L CB 0.279 42.418 42.059 0.134 0.000 1.186 581 L HN 0.548 nan 8.230 nan 0.000 0.436 582 W N 5.669 127.083 121.300 0.189 0.000 2.351 582 W HA 0.229 4.887 4.660 -0.004 0.000 0.311 582 W C 1.043 177.688 176.519 0.209 0.000 1.168 582 W CA -0.977 56.465 57.345 0.163 0.000 1.200 582 W CB 0.788 30.293 29.460 0.075 0.000 1.221 582 W HN 0.587 nan 8.180 nan 0.000 0.519 583 N N 3.995 122.562 118.700 -0.221 0.000 2.362 583 N HA 0.053 4.791 4.740 -0.004 0.000 0.204 583 N C 1.231 176.115 175.510 -1.042 0.000 1.166 583 N CA 0.692 53.414 53.050 -0.546 0.000 0.831 583 N CB -0.296 38.060 38.487 -0.217 0.000 1.008 583 N HN 0.958 nan 8.380 nan 0.000 0.472 584 G N 0.116 107.624 108.800 -2.152 0.000 2.196 584 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.268 584 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.268 584 G C 0.209 174.474 174.900 -1.058 0.000 0.975 584 G CA 0.451 44.188 45.100 -2.271 0.000 0.648 584 G HN 0.453 nan 8.290 nan 0.000 0.538 585 R N 0.000 120.136 120.500 -0.607 0.000 2.786 585 R HA 0.000 4.338 4.340 -0.004 0.000 0.208 585 R CA 0.000 56.040 56.100 -0.101 0.000 0.921 585 R CB 0.000 30.191 30.300 -0.183 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535