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 1jf6_1_A 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 TNYETYAVQV 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 AGATDPDCRR 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 0.000 176.215 176.300 -0.141 0.000 1.140 1 M CA 0.000 55.240 55.300 -0.100 0.000 0.988 1 M CB 0.000 32.539 32.600 -0.102 0.000 1.302 2 L N 2.758 123.900 121.223 -0.136 0.000 2.375 2 L HA 0.288 4.629 4.340 0.001 0.000 0.276 2 L C 1.040 177.769 176.870 -0.236 0.000 1.162 2 L CA -0.364 54.383 54.840 -0.154 0.000 0.991 2 L CB 0.059 42.054 42.059 -0.106 0.000 1.315 2 L HN 0.671 nan 8.230 nan 0.000 0.431 3 L N 1.237 122.228 121.223 -0.386 0.000 2.127 3 L HA -0.186 4.154 4.340 0.001 0.000 0.211 3 L C 1.869 178.472 176.870 -0.445 0.000 1.089 3 L CA 1.293 55.691 54.840 -0.736 0.000 0.757 3 L CB -0.295 41.026 42.059 -1.230 0.000 0.899 3 L HN 0.624 nan 8.230 nan 0.000 0.434 4 E N 0.196 120.262 120.200 -0.223 0.000 2.472 4 E HA -0.104 4.247 4.350 0.001 0.000 0.200 4 E C 1.754 178.351 176.600 -0.006 0.000 1.046 4 E CA 0.724 57.086 56.400 -0.063 0.000 0.871 4 E CB -0.010 29.666 29.700 -0.039 0.000 0.806 4 E HN 0.494 nan 8.360 nan 0.000 0.533 5 A N 0.346 123.146 122.820 -0.034 0.000 2.390 5 A HA 0.216 4.536 4.320 0.001 0.000 0.232 5 A C 0.633 178.294 177.584 0.130 0.000 1.233 5 A CA -0.307 51.770 52.037 0.068 0.000 0.907 5 A CB 0.282 19.293 19.000 0.019 0.000 0.967 5 A HN 0.044 nan 8.150 nan 0.000 0.512 6 I N 0.070 120.648 120.570 0.012 0.000 2.396 6 I HA 0.443 4.614 4.170 0.001 0.000 0.292 6 I C -0.485 175.697 176.117 0.109 0.000 0.999 6 I CA -0.448 60.853 61.300 0.003 0.000 1.310 6 I CB 1.200 39.083 38.000 -0.195 0.000 1.404 6 I HN 0.282 nan 8.210 nan 0.000 0.496 7 F N 6.280 126.226 119.950 -0.007 0.000 2.588 7 F HA 0.629 5.156 4.527 0.001 0.000 0.314 7 F C -0.819 175.011 175.800 0.050 0.000 1.069 7 F CA -0.284 57.734 58.000 0.030 0.000 0.931 7 F CB 1.559 40.467 39.000 -0.153 0.000 1.260 7 F HN 0.514 nan 8.300 nan 0.000 0.465 8 H N 2.808 120.948 119.070 -1.549 0.000 3.043 8 H HA 0.348 4.905 4.556 0.001 0.000 0.317 8 H C -2.212 172.339 175.328 -1.294 0.000 1.321 8 H CA -0.541 54.644 56.048 -1.439 0.000 1.243 8 H CB 2.203 31.522 29.762 -0.738 0.000 1.924 8 H HN 0.831 nan 8.280 nan 0.000 0.527 9 E N 1.733 120.865 120.200 -1.781 0.000 2.352 9 E HA 0.563 4.914 4.350 0.001 0.000 0.280 9 E C -1.178 174.902 176.600 -0.867 0.000 0.930 9 E CA -1.009 54.811 56.400 -0.966 0.000 0.765 9 E CB 1.997 31.517 29.700 -0.301 0.000 1.219 9 E HN 0.552 nan 8.360 nan 0.000 0.434 10 A N 3.550 126.170 122.820 -0.333 0.000 2.900 10 A HA 0.168 4.488 4.320 0.001 0.000 0.246 10 A C 0.046 177.768 177.584 0.229 0.000 1.725 10 A CA 0.688 52.774 52.037 0.080 0.000 1.400 10 A CB -1.021 18.136 19.000 0.262 0.000 0.973 10 A HN 0.623 nan 8.150 nan 0.000 0.635 11 K N -2.846 117.647 120.400 0.155 0.000 2.872 11 K HA 0.549 4.869 4.320 0.001 0.000 0.291 11 K C 0.703 177.453 176.600 0.250 0.000 1.000 11 K CA -0.485 55.959 56.287 0.263 0.000 0.750 11 K CB -0.531 32.090 32.500 0.202 0.000 1.415 11 K HN 1.338 nan 8.250 nan 0.000 0.361 12 G N 0.722 109.666 108.800 0.240 0.000 2.651 12 G HA2 -0.359 3.602 3.960 0.001 0.000 0.315 12 G HA3 -0.359 3.602 3.960 0.001 0.000 0.315 12 G C 0.595 175.640 174.900 0.242 0.000 1.258 12 G CA 0.812 46.047 45.100 0.226 0.000 1.002 12 G HN 0.765 nan 8.290 nan 0.000 0.551 13 S N -0.076 115.754 115.700 0.217 0.000 2.556 13 S HA 0.337 4.808 4.470 0.001 0.000 0.216 13 S C 1.200 175.756 174.600 -0.073 0.000 0.970 13 S CA 0.933 59.170 58.200 0.062 0.000 0.912 13 S CB 0.103 63.241 63.200 -0.103 0.000 0.790 13 S HN 0.486 nan 8.310 nan 0.000 0.504 14 Y N 1.233 121.661 120.300 0.214 0.000 2.442 14 Y HA 0.568 5.118 4.550 0.001 0.000 0.250 14 Y C 0.776 176.722 175.900 0.078 0.000 1.113 14 Y CA -0.263 57.912 58.100 0.125 0.000 1.273 14 Y CB 0.654 39.096 38.460 -0.030 0.000 1.138 14 Y HN 0.213 nan 8.280 nan 0.000 0.522 15 A N 0.317 123.251 122.820 0.190 0.000 2.509 15 A HA 0.658 4.979 4.320 0.001 0.000 0.282 15 A C -1.778 175.823 177.584 0.030 0.000 1.054 15 A CA -0.539 51.512 52.037 0.022 0.000 0.820 15 A CB 0.030 19.119 19.000 0.148 0.000 1.333 15 A HN 0.257 nan 8.150 nan 0.000 0.409 16 Y N 0.738 120.912 120.300 -0.210 0.000 2.604 16 Y HA 0.833 5.384 4.550 0.001 0.000 0.331 16 Y C -3.355 172.406 175.900 -0.231 0.000 1.158 16 Y CA -2.571 55.417 58.100 -0.185 0.000 1.056 16 Y CB 1.218 39.683 38.460 0.009 0.000 1.330 16 Y HN 0.382 nan 8.280 nan 0.000 0.457 17 P HA 0.358 nan 4.420 nan 0.000 0.281 17 P C 0.210 177.602 177.300 0.154 0.000 1.249 17 P CA -0.386 62.709 63.100 -0.007 0.000 0.810 17 P CB 2.355 34.090 31.700 0.058 0.000 1.008 18 I N -0.970 119.630 120.570 0.050 0.000 4.323 18 I HA 0.208 4.378 4.170 0.001 0.000 0.328 18 I C 0.556 176.705 176.117 0.052 0.000 1.310 18 I CA -0.089 61.265 61.300 0.090 0.000 1.186 18 I CB 0.342 38.365 38.000 0.038 0.000 1.130 18 I HN 0.299 nan 8.210 nan 0.000 0.411 19 S N -0.283 115.431 115.700 0.024 0.000 2.794 19 S HA 0.366 4.836 4.470 0.001 0.000 0.299 19 S C 0.449 175.065 174.600 0.025 0.000 1.179 19 S CA -0.490 57.724 58.200 0.022 0.000 0.838 19 S CB 1.884 65.082 63.200 -0.003 0.000 1.206 19 S HN 0.209 nan 8.310 nan 0.000 0.523 20 E N -0.160 120.054 120.200 0.024 0.000 2.274 20 E HA -0.036 4.314 4.350 0.001 0.000 0.194 20 E C 1.121 177.711 176.600 -0.017 0.000 0.996 20 E CA 1.429 57.843 56.400 0.023 0.000 0.840 20 E CB 0.054 29.770 29.700 0.027 0.000 0.772 20 E HN 0.776 nan 8.360 nan 0.000 0.491 21 T N -2.757 111.780 114.554 -0.029 0.000 3.170 21 T HA 0.210 4.561 4.350 0.001 0.000 0.288 21 T C -0.031 174.627 174.700 -0.070 0.000 0.992 21 T CA -0.550 61.519 62.100 -0.052 0.000 0.909 21 T CB 0.416 69.262 68.868 -0.037 0.000 1.133 21 T HN -0.101 nan 8.240 nan 0.000 0.530 22 Q N 1.331 121.082 119.800 -0.081 0.000 2.309 22 Q HA 0.617 4.958 4.340 0.001 0.000 0.270 22 Q C -1.740 174.147 176.000 -0.188 0.000 1.023 22 Q CA -0.761 54.964 55.803 -0.129 0.000 0.758 22 Q CB 2.645 31.322 28.738 -0.101 0.000 1.247 22 Q HN 0.328 nan 8.270 nan 0.000 0.455 23 L N 2.741 123.796 121.223 -0.279 0.000 2.272 23 L HA 0.510 4.851 4.340 0.001 0.000 0.289 23 L C -0.702 175.893 176.870 -0.458 0.000 1.032 23 L CA -0.344 54.259 54.840 -0.396 0.000 0.810 23 L CB 0.877 42.677 42.059 -0.432 0.000 1.205 23 L HN 0.458 nan 8.230 nan 0.000 0.422 24 R N 4.024 124.196 120.500 -0.547 0.000 2.410 24 R HA 0.716 5.057 4.340 0.001 0.000 0.288 24 R C -1.358 174.621 176.300 -0.535 0.000 1.051 24 R CA -0.294 55.461 56.100 -0.575 0.000 1.021 24 R CB 1.139 30.953 30.300 -0.811 0.000 1.032 24 R HN 0.534 nan 8.270 nan 0.000 0.481 25 V N 1.281 120.991 119.914 -0.339 0.000 2.709 25 V HA 0.680 4.801 4.120 0.001 0.000 0.308 25 V C -0.585 175.532 176.094 0.038 0.000 1.062 25 V CA -1.004 61.208 62.300 -0.147 0.000 0.901 25 V CB 1.969 33.658 31.823 -0.223 0.000 1.003 25 V HN 0.736 nan 8.190 nan 0.000 0.425 26 R N 3.054 123.676 120.500 0.203 0.000 2.711 26 R HA 0.842 5.183 4.340 0.001 0.000 0.284 26 R C -1.517 175.087 176.300 0.506 0.000 0.968 26 R CA -0.790 55.486 56.100 0.292 0.000 0.924 26 R CB 2.619 32.989 30.300 0.116 0.000 1.162 26 R HN 0.891 nan 8.270 nan 0.000 0.465 27 L N 2.615 124.082 121.223 0.407 0.000 2.464 27 L HA 0.563 4.904 4.340 0.001 0.000 0.266 27 L C -1.107 175.980 176.870 0.362 0.000 0.965 27 L CA -0.721 54.251 54.840 0.221 0.000 0.833 27 L CB 1.827 43.781 42.059 -0.175 0.000 1.296 27 L HN 0.700 nan 8.230 nan 0.000 0.405 28 R N 4.339 124.988 120.500 0.248 0.000 2.803 28 R HA 1.012 5.352 4.340 0.001 0.000 0.276 28 R C -1.538 174.855 176.300 0.156 0.000 0.978 28 R CA -0.556 55.629 56.100 0.142 0.000 0.939 28 R CB 2.149 32.376 30.300 -0.122 0.000 1.179 28 R HN 0.678 nan 8.270 nan 0.000 0.472 29 A N 1.607 124.553 122.820 0.210 0.000 2.606 29 A HA 0.412 4.732 4.320 0.001 0.000 0.293 29 A C -1.283 176.439 177.584 0.230 0.000 1.082 29 A CA -1.025 51.147 52.037 0.224 0.000 0.685 29 A CB 1.518 20.627 19.000 0.183 0.000 1.284 29 A HN 0.834 nan 8.150 nan 0.000 0.408 30 K N 1.147 121.615 120.400 0.113 0.000 2.524 30 K HA 0.018 4.338 4.320 0.001 0.000 0.279 30 K C 0.062 176.655 176.600 -0.012 0.000 0.993 30 K CA 0.274 56.534 56.287 -0.046 0.000 1.030 30 K CB 0.317 32.752 32.500 -0.107 0.000 0.891 30 K HN 0.569 nan 8.250 nan 0.000 0.488 31 K N 2.584 122.947 120.400 -0.062 0.000 2.453 31 K HA -0.080 4.241 4.320 0.001 0.000 0.280 31 K C 0.674 177.271 176.600 -0.005 0.000 1.045 31 K CA 1.301 57.574 56.287 -0.022 0.000 1.059 31 K CB -0.017 32.458 32.500 -0.043 0.000 0.901 31 K HN 0.929 nan 8.250 nan 0.000 0.475 32 G N 3.713 112.535 108.800 0.036 0.000 2.241 32 G HA2 -0.300 3.660 3.960 0.001 0.000 0.244 32 G HA3 -0.300 3.660 3.960 0.001 0.000 0.244 32 G C 0.740 175.660 174.900 0.033 0.000 0.998 32 G CA 0.458 45.579 45.100 0.034 0.000 0.621 32 G HN 0.765 nan 8.290 nan 0.000 0.519 33 D N -0.077 120.340 120.400 0.028 0.000 2.178 33 D HA 0.176 4.817 4.640 0.001 0.000 0.202 33 D C 1.091 177.402 176.300 0.018 0.000 0.974 33 D CA 1.551 55.555 54.000 0.008 0.000 0.841 33 D CB 0.162 40.955 40.800 -0.012 0.000 0.953 33 D HN 0.416 nan 8.370 nan 0.000 0.478 34 V N 0.111 120.067 119.914 0.072 0.000 2.680 34 V HA 0.239 4.359 4.120 0.001 0.000 0.309 34 V C 0.874 177.029 176.094 0.102 0.000 1.052 34 V CA -0.657 61.664 62.300 0.036 0.000 0.908 34 V CB 2.165 33.960 31.823 -0.046 0.000 1.001 34 V HN -0.159 nan 8.190 nan 0.000 0.431 35 V N 3.051 122.985 119.914 0.034 0.000 3.212 35 V HA 0.297 4.418 4.120 0.001 0.000 0.244 35 V C 0.688 176.809 176.094 0.046 0.000 1.151 35 V CA 0.606 62.953 62.300 0.078 0.000 1.119 35 V CB 0.261 32.113 31.823 0.049 0.000 0.838 35 V HN 0.815 nan 8.190 nan 0.000 0.470 36 R N -0.264 120.192 120.500 -0.073 0.000 2.574 36 R HA 0.578 4.918 4.340 0.001 0.000 0.288 36 R C -1.872 174.288 176.300 -0.234 0.000 1.004 36 R CA -0.322 55.716 56.100 -0.102 0.000 0.895 36 R CB 1.886 32.167 30.300 -0.031 0.000 1.191 36 R HN 0.246 nan 8.270 nan 0.000 0.444 37 C N 4.245 123.380 119.300 -0.274 0.000 2.346 37 C HA 0.553 5.014 4.460 0.001 0.000 0.326 37 C C -0.725 174.253 174.990 -0.020 0.000 1.224 37 C CA -0.293 58.581 59.018 -0.239 0.000 1.408 37 C CB 0.783 28.179 27.740 -0.573 0.000 2.089 37 C HN 1.025 nan 8.230 nan 0.000 0.456 38 E N 4.197 124.418 120.200 0.034 0.000 2.256 38 E HA 0.757 5.107 4.350 0.001 0.000 0.267 38 E C -1.619 175.001 176.600 0.033 0.000 0.892 38 E CA -0.565 55.865 56.400 0.050 0.000 0.775 38 E CB 1.954 31.680 29.700 0.043 0.000 1.207 38 E HN 0.523 nan 8.360 nan 0.000 0.420 39 V N 4.361 124.262 119.914 -0.022 0.000 2.384 39 V HA 0.351 4.472 4.120 0.001 0.000 0.287 39 V C -0.878 175.178 176.094 -0.063 0.000 1.020 39 V CA -0.866 61.338 62.300 -0.160 0.000 0.850 39 V CB 1.040 32.668 31.823 -0.326 0.000 0.987 39 V HN 0.589 nan 8.190 nan 0.000 0.436 40 L N 6.914 128.079 121.223 -0.097 0.000 2.296 40 L HA 0.661 5.002 4.340 0.001 0.000 0.286 40 L C -0.410 176.480 176.870 0.033 0.000 1.023 40 L CA -0.431 54.317 54.840 -0.153 0.000 0.812 40 L CB 0.720 42.651 42.059 -0.214 0.000 1.223 40 L HN 0.749 nan 8.230 nan 0.000 0.421 41 Y N 1.164 121.410 120.300 -0.090 0.000 2.644 41 Y HA 1.004 5.555 4.550 0.002 0.000 0.338 41 Y C -0.658 175.240 175.900 -0.002 0.000 1.119 41 Y CA -1.353 56.741 58.100 -0.009 0.000 1.060 41 Y CB 1.745 40.204 38.460 -0.003 0.000 1.294 41 Y HN 0.745 nan 8.280 nan 0.000 0.472 42 A N 0.885 123.832 122.820 0.212 0.000 2.544 42 A HA 0.414 4.735 4.320 0.001 0.000 0.291 42 A C -1.967 175.713 177.584 0.159 0.000 1.055 42 A CA -0.673 51.430 52.037 0.109 0.000 0.651 42 A CB 0.811 19.814 19.000 0.005 0.000 1.296 42 A HN 0.913 nan 8.150 nan 0.000 0.431 43 D N -0.176 120.304 120.400 0.132 0.000 2.472 43 D HA 0.240 4.881 4.640 0.001 0.000 0.237 43 D C 1.320 177.699 176.300 0.131 0.000 1.141 43 D CA 0.260 54.348 54.000 0.147 0.000 0.875 43 D CB 0.627 41.513 40.800 0.143 0.000 1.192 43 D HN 0.450 nan 8.370 nan 0.000 0.450 44 R N 2.076 122.652 120.500 0.126 0.000 2.159 44 R HA -0.189 4.152 4.340 0.001 0.000 0.237 44 R C 0.852 177.101 176.300 -0.085 0.000 1.131 44 R CA 1.228 57.316 56.100 -0.020 0.000 0.982 44 R CB -0.189 30.036 30.300 -0.125 0.000 0.868 44 R HN 0.625 nan 8.270 nan 0.000 0.453 45 Y N -0.129 120.188 120.300 0.029 0.000 2.468 45 Y HA 0.325 4.876 4.550 0.001 0.000 0.268 45 Y C 0.792 176.699 175.900 0.012 0.000 1.177 45 Y CA -0.564 57.547 58.100 0.019 0.000 1.265 45 Y CB 0.032 38.507 38.460 0.024 0.000 1.103 45 Y HN -0.013 nan 8.280 nan 0.000 0.522 46 A N 1.042 123.947 122.820 0.141 0.000 2.540 46 A HA 0.247 4.568 4.320 0.001 0.000 0.239 46 A C 0.800 178.414 177.584 0.050 0.000 1.061 46 A CA 0.047 52.132 52.037 0.080 0.000 0.758 46 A CB -0.130 18.901 19.000 0.051 0.000 0.991 46 A HN 0.409 nan 8.150 nan 0.000 0.502 47 S N 3.413 119.136 115.700 0.039 0.000 2.558 47 S HA 0.190 4.661 4.470 0.001 0.000 0.288 47 S C -1.083 173.520 174.600 0.006 0.000 1.318 47 S CA -0.221 57.993 58.200 0.023 0.000 1.056 47 S CB 0.432 63.642 63.200 0.017 0.000 0.853 47 S HN 0.623 nan 8.310 nan 0.000 0.505 48 P HA -0.086 nan 4.420 nan 0.000 0.229 48 P C 0.521 177.810 177.300 -0.019 0.000 1.150 48 P CA 1.057 64.146 63.100 -0.018 0.000 0.765 48 P CB 0.077 31.764 31.700 -0.022 0.000 0.783 49 E N -0.529 119.664 120.200 -0.010 0.000 2.460 49 E HA 0.048 4.399 4.350 0.001 0.000 0.200 49 E C 0.829 177.424 176.600 -0.008 0.000 1.011 49 E CA -0.237 56.157 56.400 -0.010 0.000 0.912 49 E CB 0.319 30.015 29.700 -0.007 0.000 0.953 49 E HN 0.412 nan 8.360 nan 0.000 0.494 50 E N 1.771 121.968 120.200 -0.006 0.000 2.408 50 E HA -0.020 4.331 4.350 0.001 0.000 0.259 50 E C -0.170 176.424 176.600 -0.010 0.000 1.110 50 E CA -0.060 56.338 56.400 -0.005 0.000 0.929 50 E CB 0.699 30.399 29.700 0.000 0.000 0.971 50 E HN -0.075 nan 8.360 nan 0.000 0.438 51 E N 2.229 122.424 120.200 -0.008 0.000 2.354 51 E HA 0.161 4.512 4.350 0.001 0.000 0.269 51 E C -0.340 176.244 176.600 -0.027 0.000 1.036 51 E CA -0.122 56.275 56.400 -0.005 0.000 0.876 51 E CB 0.840 30.543 29.700 0.005 0.000 1.009 51 E HN 0.381 nan 8.360 nan 0.000 0.416 52 L N 1.290 122.493 121.223 -0.034 0.000 2.399 52 L HA 0.469 4.810 4.340 0.001 0.000 0.265 52 L C 0.524 177.308 176.870 -0.143 0.000 1.089 52 L CA -0.845 53.925 54.840 -0.116 0.000 0.802 52 L CB 1.147 43.119 42.059 -0.145 0.000 1.180 52 L HN 0.450 nan 8.230 nan 0.000 0.454 53 A N 0.302 122.886 122.820 -0.394 0.000 2.302 53 A HA 0.540 4.861 4.320 0.001 0.000 0.285 53 A C -0.916 176.426 177.584 -0.404 0.000 1.105 53 A CA -0.266 51.487 52.037 -0.473 0.000 0.816 53 A CB 0.142 18.519 19.000 -1.039 0.000 1.067 53 A HN 0.721 nan 8.150 nan 0.000 0.489 54 H N -0.551 118.382 119.070 -0.229 0.000 2.529 54 H HA 0.716 5.272 4.556 0.001 0.000 0.348 54 H C -0.154 175.215 175.328 0.068 0.000 1.152 54 H CA 0.348 56.363 56.048 -0.055 0.000 1.202 54 H CB 1.886 31.633 29.762 -0.025 0.000 1.562 54 H HN 0.879 nan 8.280 nan 0.000 0.515 55 A N 2.738 125.680 122.820 0.204 0.000 2.442 55 A HA 0.395 4.716 4.320 0.001 0.000 0.284 55 A C -1.512 176.131 177.584 0.099 0.000 1.058 55 A CA -0.598 51.540 52.037 0.169 0.000 0.738 55 A CB 0.670 19.783 19.000 0.188 0.000 1.242 55 A HN 0.517 nan 8.150 nan 0.000 0.421 56 L N 2.754 124.032 121.223 0.092 0.000 2.313 56 L HA 0.611 4.952 4.340 0.001 0.000 0.282 56 L C 0.619 177.543 176.870 0.091 0.000 1.092 56 L CA 0.332 55.224 54.840 0.086 0.000 0.831 56 L CB 1.041 43.149 42.059 0.081 0.000 1.159 56 L HN 0.839 nan 8.230 nan 0.000 0.442 57 A N 4.988 127.878 122.820 0.116 0.000 2.391 57 A HA 0.622 4.942 4.320 0.001 0.000 0.316 57 A C 0.584 178.324 177.584 0.261 0.000 1.381 57 A CA -0.029 52.113 52.037 0.176 0.000 0.998 57 A CB -0.513 18.623 19.000 0.226 0.000 1.147 57 A HN 0.873 nan 8.150 nan 0.000 0.545 58 G N 1.280 110.202 108.800 0.204 0.000 2.594 58 G HA2 0.319 4.280 3.960 0.001 0.000 0.243 58 G HA3 0.319 4.280 3.960 0.001 0.000 0.243 58 G C 0.157 175.203 174.900 0.243 0.000 1.229 58 G CA -0.566 44.660 45.100 0.210 0.000 0.843 58 G HN 0.777 nan 8.290 nan 0.000 0.578 59 K N 1.187 121.693 120.400 0.177 0.000 2.315 59 K HA 0.333 4.653 4.320 0.001 0.000 0.291 59 K C 1.193 177.780 176.600 -0.023 0.000 1.074 59 K CA 0.025 56.275 56.287 -0.062 0.000 0.936 59 K CB 0.395 32.856 32.500 -0.065 0.000 1.049 59 K HN 0.420 nan 8.250 nan 0.000 0.471 60 A N 3.681 126.482 122.820 -0.031 0.000 2.119 60 A HA 0.209 4.530 4.320 0.001 0.000 0.216 60 A C 0.784 178.372 177.584 0.007 0.000 1.152 60 A CA 1.027 53.067 52.037 0.005 0.000 0.708 60 A CB -0.004 19.000 19.000 0.006 0.000 0.805 60 A HN 0.864 nan 8.150 nan 0.000 0.460 61 G N -2.515 106.293 108.800 0.014 0.000 2.321 61 G HA2 0.476 4.436 3.960 0.001 0.000 0.298 61 G HA3 0.476 4.436 3.960 0.001 0.000 0.298 61 G C -1.181 173.818 174.900 0.165 0.000 1.385 61 G CA 0.029 45.170 45.100 0.069 0.000 0.856 61 G HN 0.854 nan 8.290 nan 0.000 0.584 62 S N 0.143 115.955 115.700 0.188 0.000 2.533 62 S HA 0.721 5.191 4.470 0.001 0.000 0.271 62 S C -0.885 173.833 174.600 0.197 0.000 1.143 62 S CA -0.657 57.667 58.200 0.207 0.000 0.891 62 S CB 2.387 65.625 63.200 0.063 0.000 1.105 62 S HN 1.113 nan 8.310 nan 0.000 0.468 63 D N 1.072 121.623 120.400 0.251 0.000 2.538 63 D HA 0.349 4.990 4.640 0.001 0.000 0.262 63 D C 1.184 177.530 176.300 0.077 0.000 1.186 63 D CA -0.600 53.498 54.000 0.164 0.000 1.090 63 D CB -0.287 40.662 40.800 0.249 0.000 1.187 63 D HN 0.472 nan 8.370 nan 0.000 0.614 64 E N -0.414 119.815 120.200 0.048 0.000 2.065 64 E HA -0.236 4.114 4.350 0.001 0.000 0.201 64 E C 1.621 178.201 176.600 -0.034 0.000 1.016 64 E CA 2.375 58.774 56.400 -0.002 0.000 0.818 64 E CB 0.093 29.788 29.700 -0.008 0.000 0.749 64 E HN 0.522 nan 8.360 nan 0.000 0.453 65 R N -2.119 118.347 120.500 -0.057 0.000 2.531 65 R HA 0.278 4.619 4.340 0.001 0.000 0.316 65 R C -0.283 175.806 176.300 -0.352 0.000 0.955 65 R CA -0.260 55.700 56.100 -0.232 0.000 1.120 65 R CB 0.322 30.402 30.300 -0.366 0.000 1.361 65 R HN -0.013 nan 8.270 nan 0.000 0.534 66 F N 0.727 120.601 119.950 -0.126 0.000 2.598 66 F HA 0.466 4.994 4.527 0.001 0.000 0.327 66 F C -0.040 175.549 175.800 -0.352 0.000 1.057 66 F CA -1.079 56.758 58.000 -0.273 0.000 0.957 66 F CB 1.774 40.504 39.000 -0.450 0.000 1.278 66 F HN -0.224 nan 8.300 nan 0.000 0.484 67 D N 0.349 120.653 120.400 -0.161 0.000 2.350 67 D HA 0.329 4.970 4.640 0.001 0.000 0.245 67 D C -1.534 174.485 176.300 -0.469 0.000 1.036 67 D CA -0.230 53.623 54.000 -0.245 0.000 0.848 67 D CB 1.629 42.379 40.800 -0.083 0.000 1.307 67 D HN 0.276 nan 8.370 nan 0.000 0.469 68 Y N 1.360 121.461 120.300 -0.332 0.000 2.338 68 Y HA 0.439 4.990 4.550 0.001 0.000 0.333 68 Y C -0.448 175.159 175.900 -0.488 0.000 0.968 68 Y CA -0.921 57.033 58.100 -0.244 0.000 1.123 68 Y CB 1.188 39.598 38.460 -0.084 0.000 1.165 68 Y HN 0.147 nan 8.280 nan 0.000 0.452 69 F N 1.831 121.919 119.950 0.230 0.000 2.458 69 F HA 0.473 5.001 4.527 0.002 0.000 0.336 69 F C 0.021 175.907 175.800 0.143 0.000 1.114 69 F CA -0.916 57.178 58.000 0.158 0.000 0.987 69 F CB 1.742 40.817 39.000 0.125 0.000 1.130 69 F HN 0.386 nan 8.300 nan 0.000 0.458 70 E N 2.089 122.436 120.200 0.245 0.000 2.248 70 E HA 0.810 5.161 4.350 0.001 0.000 0.267 70 E C -1.712 174.945 176.600 0.095 0.000 0.877 70 E CA -0.827 55.653 56.400 0.133 0.000 0.759 70 E CB 2.083 31.814 29.700 0.053 0.000 1.182 70 E HN 0.776 nan 8.360 nan 0.000 0.418 71 A N 3.628 126.464 122.820 0.027 0.000 2.498 71 A HA 0.646 4.967 4.320 0.001 0.000 0.298 71 A C -1.875 175.626 177.584 -0.139 0.000 1.075 71 A CA -0.719 51.302 52.037 -0.028 0.000 0.714 71 A CB 1.488 20.482 19.000 -0.010 0.000 1.299 71 A HN 0.503 nan 8.150 nan 0.000 0.407 72 L N 1.494 122.632 121.223 -0.141 0.000 2.305 72 L HA 0.692 5.033 4.340 0.001 0.000 0.284 72 L C -1.578 175.133 176.870 -0.264 0.000 1.013 72 L CA -0.399 54.320 54.840 -0.202 0.000 0.819 72 L CB 1.214 43.193 42.059 -0.134 0.000 1.227 72 L HN 0.568 nan 8.230 nan 0.000 0.417 73 L N 4.661 125.631 121.223 -0.422 0.000 2.309 73 L HA 0.484 4.824 4.340 0.001 0.000 0.282 73 L C -0.117 176.477 176.870 -0.460 0.000 1.036 73 L CA -0.304 54.122 54.840 -0.689 0.000 0.806 73 L CB 1.409 42.851 42.059 -1.028 0.000 1.220 73 L HN 0.487 nan 8.230 nan 0.000 0.429 74 E N 2.240 122.255 120.200 -0.309 0.000 2.044 74 E HA 0.220 4.571 4.350 0.001 0.000 0.282 74 E C -0.942 175.660 176.600 0.003 0.000 1.031 74 E CA -0.090 56.277 56.400 -0.056 0.000 0.824 74 E CB 0.938 30.696 29.700 0.096 0.000 1.076 74 E HN 0.431 nan 8.360 nan 0.000 0.395 75 C N 2.890 122.159 119.300 -0.052 0.000 2.439 75 C HA 0.135 4.596 4.460 0.001 0.000 0.298 75 C C 1.799 176.780 174.990 -0.015 0.000 1.094 75 C CA -0.586 58.426 59.018 -0.010 0.000 1.609 75 C CB -0.992 26.717 27.740 -0.052 0.000 1.723 75 C HN 0.689 nan 8.230 nan 0.000 0.423 76 S N 0.643 116.352 115.700 0.015 0.000 2.423 76 S HA -0.140 4.331 4.470 0.001 0.000 0.231 76 S C 1.401 175.989 174.600 -0.020 0.000 1.014 76 S CA 1.614 59.813 58.200 -0.001 0.000 0.965 76 S CB -0.552 62.657 63.200 0.016 0.000 0.785 76 S HN 0.751 nan 8.310 nan 0.000 0.495 77 T N 1.270 115.817 114.554 -0.012 0.000 3.088 77 T HA 0.216 4.566 4.350 0.001 0.000 0.259 77 T C 0.576 175.201 174.700 -0.125 0.000 1.122 77 T CA 0.386 62.470 62.100 -0.027 0.000 1.095 77 T CB -0.396 68.488 68.868 0.028 0.000 0.930 77 T HN 0.521 nan 8.240 nan 0.000 0.508 78 K N 0.104 120.408 120.400 -0.159 0.000 3.500 78 K HA -0.177 4.143 4.320 0.001 0.000 0.313 78 K C -0.185 176.207 176.600 -0.345 0.000 1.338 78 K CA 0.864 56.953 56.287 -0.329 0.000 0.963 78 K CB -1.142 30.987 32.500 -0.619 0.000 1.267 78 K HN 0.446 nan 8.250 nan 0.000 0.448 79 R N 0.434 120.870 120.500 -0.107 0.000 2.621 79 R HA 0.681 5.022 4.340 0.001 0.000 0.292 79 R C -1.041 175.331 176.300 0.119 0.000 0.969 79 R CA -0.801 55.331 56.100 0.052 0.000 0.887 79 R CB 2.803 33.208 30.300 0.175 0.000 1.180 79 R HN -0.008 nan 8.270 nan 0.000 0.450 80 V N 2.338 122.354 119.914 0.170 0.000 3.048 80 V HA 0.542 4.662 4.120 0.001 0.000 0.303 80 V C -1.709 174.507 176.094 0.205 0.000 1.214 80 V CA -0.735 61.685 62.300 0.201 0.000 0.984 80 V CB 2.412 34.354 31.823 0.199 0.000 1.054 80 V HN 0.852 nan 8.190 nan 0.000 0.430 81 K N 4.988 125.496 120.400 0.180 0.000 2.422 81 K HA 0.824 5.144 4.320 0.001 0.000 0.251 81 K C -1.862 174.813 176.600 0.125 0.000 0.933 81 K CA -0.640 55.669 56.287 0.036 0.000 0.798 81 K CB 2.335 34.819 32.500 -0.027 0.000 1.238 81 K HN 0.911 nan 8.250 nan 0.000 0.428 82 Y N -1.679 118.632 120.300 0.018 0.000 2.624 82 Y HA 0.674 5.224 4.550 0.001 0.000 0.334 82 Y C -1.900 173.941 175.900 -0.098 0.000 1.155 82 Y CA -1.307 56.764 58.100 -0.048 0.000 1.046 82 Y CB 1.241 39.627 38.460 -0.122 0.000 1.316 82 Y HN 0.397 nan 8.280 nan 0.000 0.457 83 V N 2.622 122.548 119.914 0.020 0.000 2.962 83 V HA 0.679 4.799 4.120 0.001 0.000 0.313 83 V C -1.677 174.398 176.094 -0.032 0.000 1.099 83 V CA -1.179 61.130 62.300 0.015 0.000 0.971 83 V CB 2.003 33.864 31.823 0.064 0.000 1.028 83 V HN 0.709 nan 8.190 nan 0.000 0.430 84 F N 5.137 125.193 119.950 0.176 0.000 2.399 84 F HA 0.660 5.187 4.527 0.001 0.000 0.334 84 F C -0.148 175.704 175.800 0.087 0.000 1.097 84 F CA -0.514 57.571 58.000 0.143 0.000 1.076 84 F CB 1.787 40.905 39.000 0.198 0.000 1.162 84 F HN 0.349 nan 8.300 nan 0.000 0.495 85 L N 5.137 126.435 121.223 0.125 0.000 2.318 85 L HA 0.561 4.901 4.340 0.001 0.000 0.277 85 L C -1.389 175.439 176.870 -0.070 0.000 1.008 85 L CA -0.386 54.339 54.840 -0.191 0.000 0.846 85 L CB 0.664 42.534 42.059 -0.314 0.000 1.220 85 L HN 0.443 nan 8.230 nan 0.000 0.423 86 L N 4.425 125.614 121.223 -0.056 0.000 2.313 86 L HA 0.656 4.997 4.340 0.001 0.000 0.283 86 L C -0.034 176.784 176.870 -0.086 0.000 1.013 86 L CA -0.448 54.352 54.840 -0.065 0.000 0.816 86 L CB 1.746 43.791 42.059 -0.024 0.000 1.236 86 L HN 0.476 nan 8.230 nan 0.000 0.419 87 T N 1.440 115.938 114.554 -0.092 0.000 2.797 87 T HA 0.570 4.921 4.350 0.001 0.000 0.279 87 T C 0.418 175.087 174.700 -0.052 0.000 0.991 87 T CA -0.515 61.547 62.100 -0.063 0.000 0.979 87 T CB 1.853 70.693 68.868 -0.047 0.000 0.943 87 T HN 0.754 nan 8.240 nan 0.000 0.444 88 G N 2.145 110.923 108.800 -0.036 0.000 2.537 88 G HA2 0.451 4.411 3.960 0.001 0.000 0.297 88 G HA3 0.451 4.411 3.960 0.001 0.000 0.297 88 G C -1.719 173.176 174.900 -0.009 0.000 1.310 88 G CA -1.619 43.466 45.100 -0.025 0.000 1.027 88 G HN 0.399 nan 8.290 nan 0.000 0.505 89 P HA -0.032 nan 4.420 nan 0.000 0.221 89 P C 0.955 178.256 177.300 0.003 0.000 1.145 89 P CA 0.966 64.070 63.100 0.006 0.000 0.795 89 P CB 0.324 32.027 31.700 0.006 0.000 0.775 90 Q N -1.483 118.315 119.800 -0.003 0.000 2.201 90 Q HA 0.394 4.735 4.340 0.001 0.000 0.236 90 Q C 1.296 177.295 176.000 -0.002 0.000 0.857 90 Q CA 0.343 56.145 55.803 -0.002 0.000 1.025 90 Q CB -0.667 28.069 28.738 -0.005 0.000 1.124 90 Q HN 0.173 nan 8.270 nan 0.000 0.473 91 G N 0.687 109.486 108.800 -0.002 0.000 2.220 91 G HA2 -0.359 3.601 3.960 0.001 0.000 0.269 91 G HA3 -0.359 3.601 3.960 0.001 0.000 0.269 91 G C 0.084 174.981 174.900 -0.005 0.000 0.977 91 G CA 0.521 45.620 45.100 -0.002 0.000 0.634 91 G HN 0.520 nan 8.290 nan 0.000 0.539 92 E N 0.728 120.923 120.200 -0.008 0.000 2.415 92 E HA 0.497 4.848 4.350 0.001 0.000 0.260 92 E C 0.237 176.828 176.600 -0.016 0.000 1.016 92 E CA 0.246 56.642 56.400 -0.007 0.000 0.924 92 E CB 1.057 30.749 29.700 -0.013 0.000 0.961 92 E HN 1.034 nan 8.360 nan 0.000 0.459 93 A N 3.496 126.311 122.820 -0.009 0.000 2.337 93 A HA 0.684 5.005 4.320 0.001 0.000 0.331 93 A C -0.758 176.821 177.584 -0.007 0.000 1.137 93 A CA -0.672 51.343 52.037 -0.037 0.000 0.807 93 A CB 2.162 21.128 19.000 -0.057 0.000 1.250 93 A HN 0.695 nan 8.150 nan 0.000 0.468 94 V N 1.471 121.361 119.914 -0.041 0.000 3.023 94 V HA 0.562 4.683 4.120 0.001 0.000 0.294 94 V C -2.246 173.897 176.094 0.082 0.000 1.324 94 V CA -0.692 61.665 62.300 0.096 0.000 0.979 94 V CB 1.578 33.487 31.823 0.144 0.000 1.093 94 V HN 0.831 nan 8.190 nan 0.000 0.434 95 Y N 5.498 125.932 120.300 0.223 0.000 2.308 95 Y HA 0.579 5.129 4.550 0.001 0.000 0.329 95 Y C -0.166 175.929 175.900 0.325 0.000 1.111 95 Y CA -0.570 57.670 58.100 0.233 0.000 1.179 95 Y CB 1.552 40.086 38.460 0.123 0.000 1.201 95 Y HN 0.672 nan 8.280 nan 0.000 0.483 96 F N 2.786 122.892 119.950 0.260 0.000 2.449 96 F HA 0.776 5.303 4.527 0.001 0.000 0.342 96 F C 0.045 175.902 175.800 0.093 0.000 1.127 96 F CA -0.379 57.614 58.000 -0.012 0.000 0.975 96 F CB 0.753 39.830 39.000 0.129 0.000 1.146 96 F HN 0.616 nan 8.300 nan 0.000 0.444 97 G N 3.795 112.382 108.800 -0.355 0.000 2.949 97 G HA2 0.141 4.101 3.960 0.001 0.000 0.285 97 G HA3 0.141 4.101 3.960 0.001 0.000 0.285 97 G C -0.130 174.034 174.900 -1.227 0.000 1.395 97 G CA -0.534 44.150 45.100 -0.693 0.000 0.901 97 G HN 0.673 nan 8.290 nan 0.000 0.519 98 E N -1.057 118.276 120.200 -1.446 0.000 2.160 98 E HA -0.144 4.207 4.350 0.001 0.000 0.195 98 E C 2.125 178.408 176.600 -0.528 0.000 0.991 98 E CA 1.824 57.525 56.400 -1.164 0.000 0.810 98 E CB 0.044 29.294 29.700 -0.751 0.000 0.742 98 E HN 0.433 nan 8.360 nan 0.000 0.466 99 T N -0.511 113.808 114.554 -0.392 0.000 2.942 99 T HA 0.178 4.529 4.350 0.001 0.000 0.265 99 T C 0.664 175.281 174.700 -0.137 0.000 1.062 99 T CA 0.727 62.703 62.100 -0.206 0.000 1.139 99 T CB 0.417 69.191 68.868 -0.156 0.000 0.883 99 T HN 0.474 nan 8.240 nan 0.000 0.468 100 G N 0.274 108.957 108.800 -0.196 0.000 2.247 100 G HA2 0.225 4.186 3.960 0.001 0.000 0.229 100 G HA3 0.225 4.186 3.960 0.001 0.000 0.229 100 G C -1.693 173.063 174.900 -0.240 0.000 1.345 100 G CA -1.119 43.900 45.100 -0.135 0.000 1.100 100 G HN 0.179 nan 8.290 nan 0.000 0.473 101 F N 0.869 120.924 119.950 0.176 0.000 2.458 101 F HA 0.858 5.386 4.527 0.001 0.000 0.330 101 F C 0.766 176.637 175.800 0.119 0.000 1.082 101 F CA 0.025 58.127 58.000 0.169 0.000 0.995 101 F CB 2.352 41.414 39.000 0.103 0.000 1.170 101 F HN 0.663 nan 8.300 nan 0.000 0.478 102 S N 0.129 116.029 115.700 0.334 0.000 2.578 102 S HA 0.608 5.079 4.470 0.001 0.000 0.272 102 S C 0.089 174.844 174.600 0.258 0.000 1.145 102 S CA -0.011 58.320 58.200 0.219 0.000 0.835 102 S CB 1.194 64.467 63.200 0.122 0.000 1.104 102 S HN 0.803 nan 8.310 nan 0.000 0.458 103 A N 1.783 124.716 122.820 0.187 0.000 2.016 103 A HA 0.295 4.616 4.320 0.001 0.000 0.217 103 A C 0.475 178.188 177.584 0.215 0.000 1.162 103 A CA 0.738 52.902 52.037 0.212 0.000 0.662 103 A CB -0.345 18.733 19.000 0.130 0.000 0.812 103 A HN 0.757 nan 8.150 nan 0.000 0.450 104 E N -0.580 119.665 120.200 0.075 0.000 2.200 104 E HA 0.331 4.682 4.350 0.001 0.000 0.283 104 E C 0.913 177.329 176.600 -0.305 0.000 1.015 104 E CA -0.370 55.980 56.400 -0.083 0.000 0.819 104 E CB 1.233 30.896 29.700 -0.062 0.000 1.081 104 E HN 0.487 nan 8.360 nan 0.000 0.397 105 R N 2.441 122.456 120.500 -0.808 0.000 2.091 105 R HA -0.215 4.125 4.340 0.001 0.000 0.238 105 R C 1.759 177.794 176.300 -0.441 0.000 1.136 105 R CA 2.333 57.734 56.100 -1.165 0.000 0.959 105 R CB -0.648 28.791 30.300 -1.436 0.000 0.856 105 R HN 0.506 nan 8.270 nan 0.000 0.437 106 S N 0.750 116.272 115.700 -0.297 0.000 2.365 106 S HA -0.206 4.265 4.470 0.001 0.000 0.225 106 S C 1.785 176.304 174.600 -0.136 0.000 1.039 106 S CA 1.504 59.597 58.200 -0.177 0.000 1.033 106 S CB -0.344 62.779 63.200 -0.129 0.000 0.887 106 S HN 0.558 nan 8.310 nan 0.000 0.447 107 K N 1.466 121.798 120.400 -0.112 0.000 2.365 107 K HA 0.258 4.578 4.320 0.001 0.000 0.199 107 K C 2.232 178.796 176.600 -0.059 0.000 1.045 107 K CA 0.725 56.971 56.287 -0.067 0.000 0.962 107 K CB -0.343 32.138 32.500 -0.031 0.000 0.759 107 K HN 0.542 nan 8.250 nan 0.000 0.469 108 A N 1.402 124.182 122.820 -0.067 0.000 2.067 108 A HA 0.183 4.504 4.320 0.001 0.000 0.217 108 A C 1.105 178.602 177.584 -0.146 0.000 1.156 108 A CA 0.999 53.009 52.037 -0.044 0.000 0.683 108 A CB -0.469 18.572 19.000 0.068 0.000 0.808 108 A HN 0.387 nan 8.150 nan 0.000 0.455 109 G N -2.084 106.620 108.800 -0.160 0.000 2.681 109 G HA2 0.125 4.086 3.960 0.001 0.000 0.220 109 G HA3 0.125 4.086 3.960 0.001 0.000 0.220 109 G C -0.306 174.439 174.900 -0.258 0.000 1.353 109 G CA 0.074 45.044 45.100 -0.215 0.000 0.872 109 G HN 1.718 nan 8.290 nan 0.000 0.557 110 V N -0.327 119.390 119.914 -0.327 0.000 2.817 110 V HA 0.688 4.809 4.120 0.001 0.000 0.303 110 V C -0.276 175.546 176.094 -0.453 0.000 1.151 110 V CA -1.051 61.041 62.300 -0.347 0.000 0.929 110 V CB 1.309 33.000 31.823 -0.221 0.000 1.030 110 V HN 1.095 nan 8.190 nan 0.000 0.427 111 F N 4.194 123.840 119.950 -0.506 0.000 2.450 111 F HA 0.535 5.063 4.527 0.001 0.000 0.339 111 F C 0.843 176.261 175.800 -0.636 0.000 1.146 111 F CA 0.357 58.023 58.000 -0.557 0.000 1.267 111 F CB 0.986 39.592 39.000 -0.657 0.000 1.178 111 F HN 0.463 nan 8.300 nan 0.000 0.585 112 Q N 1.921 121.657 119.800 -0.106 0.000 2.305 112 Q HA 0.226 4.567 4.340 0.001 0.000 0.271 112 Q C -1.803 174.284 176.000 0.146 0.000 1.046 112 Q CA -0.894 54.892 55.803 -0.029 0.000 0.798 112 Q CB 2.668 31.379 28.738 -0.045 0.000 1.286 112 Q HN 0.576 nan 8.270 nan 0.000 0.435 113 Y N 1.618 121.991 120.300 0.122 0.000 2.721 113 Y HA 0.384 4.934 4.550 0.001 0.000 0.328 113 Y C 0.871 176.854 175.900 0.139 0.000 1.003 113 Y CA -0.249 57.947 58.100 0.160 0.000 1.275 113 Y CB 0.317 38.895 38.460 0.196 0.000 1.097 113 Y HN 0.940 nan 8.280 nan 0.000 0.514 114 A N 4.801 127.577 122.820 -0.073 0.000 1.893 114 A HA -0.255 4.066 4.320 0.001 0.000 0.222 114 A C -0.174 177.520 177.584 0.185 0.000 1.309 114 A CA 2.473 54.531 52.037 0.034 0.000 0.681 114 A CB -0.744 18.259 19.000 0.005 0.000 0.842 114 A HN 0.747 nan 8.150 nan 0.000 0.468 115 Y N -2.919 117.362 120.300 -0.031 0.000 2.565 115 Y HA 0.529 5.080 4.550 0.001 0.000 0.330 115 Y C -1.357 174.617 175.900 0.125 0.000 1.150 115 Y CA -1.143 56.989 58.100 0.054 0.000 1.055 115 Y CB 1.133 39.608 38.460 0.024 0.000 1.337 115 Y HN 0.176 nan 8.280 nan 0.000 0.457 116 I N 5.806 126.356 120.570 -0.033 0.000 2.330 116 I HA 0.266 4.437 4.170 0.001 0.000 0.286 116 I C -0.878 175.336 176.117 0.161 0.000 1.025 116 I CA -0.542 60.881 61.300 0.205 0.000 1.197 116 I CB 0.530 38.596 38.000 0.109 0.000 1.358 116 I HN 0.585 nan 8.210 nan 0.000 0.467 117 H N 4.800 124.066 119.070 0.328 0.000 2.525 117 H HA 0.242 4.798 4.556 0.001 0.000 0.339 117 H C 1.223 176.659 175.328 0.181 0.000 1.109 117 H CA -0.621 55.597 56.048 0.284 0.000 1.352 117 H CB 1.073 30.959 29.762 0.206 0.000 1.461 117 H HN 0.478 nan 8.280 nan 0.000 0.533 118 R N 0.816 121.455 120.500 0.232 0.000 2.105 118 R HA -0.157 4.183 4.340 0.001 0.000 0.239 118 R C 1.606 178.000 176.300 0.157 0.000 1.135 118 R CA 1.711 57.906 56.100 0.159 0.000 0.967 118 R CB -0.422 29.948 30.300 0.117 0.000 0.861 118 R HN 0.566 nan 8.270 nan 0.000 0.442 119 S N 0.765 116.566 115.700 0.169 0.000 2.474 119 S HA -0.080 4.391 4.470 0.001 0.000 0.235 119 S C 1.103 175.768 174.600 0.108 0.000 0.997 119 S CA 0.905 59.176 58.200 0.118 0.000 0.949 119 S CB -0.043 63.214 63.200 0.094 0.000 0.766 119 S HN 0.558 nan 8.310 nan 0.000 0.517 120 E N 0.866 121.159 120.200 0.155 0.000 2.451 120 E HA 0.226 4.577 4.350 0.001 0.000 0.194 120 E C -0.884 175.816 176.600 0.167 0.000 1.027 120 E CA -0.220 56.263 56.400 0.139 0.000 0.914 120 E CB 0.745 30.547 29.700 0.170 0.000 1.054 120 E HN 0.302 nan 8.360 nan 0.000 0.461 121 V N 2.109 122.121 119.914 0.162 0.000 2.408 121 V HA 0.075 4.195 4.120 0.001 0.000 0.267 121 V C 0.054 176.274 176.094 0.211 0.000 1.047 121 V CA -0.341 62.070 62.300 0.185 0.000 0.937 121 V CB 0.068 31.981 31.823 0.150 0.000 0.999 121 V HN 0.268 nan 8.190 nan 0.000 0.472 122 F N 4.637 124.622 119.950 0.057 0.000 2.506 122 F HA 0.041 4.569 4.527 0.001 0.000 0.387 122 F C 0.714 176.521 175.800 0.011 0.000 1.053 122 F CA 0.451 58.461 58.000 0.016 0.000 1.083 122 F CB 0.280 39.257 39.000 -0.037 0.000 1.010 122 F HN 0.470 nan 8.300 nan 0.000 0.551 123 T N 3.725 118.520 114.554 0.401 0.000 2.809 123 T HA 0.353 4.703 4.350 0.001 0.000 0.284 123 T C -0.184 174.639 174.700 0.205 0.000 0.992 123 T CA -0.715 61.521 62.100 0.228 0.000 0.957 123 T CB 1.401 70.349 68.868 0.135 0.000 0.942 123 T HN 0.609 nan 8.240 nan 0.000 0.439 124 T N 0.898 115.519 114.554 0.112 0.000 2.908 124 T HA 0.686 5.036 4.350 0.001 0.000 0.290 124 T C -3.019 171.658 174.700 -0.039 0.000 1.034 124 T CA -2.676 59.452 62.100 0.047 0.000 1.010 124 T CB 1.057 69.918 68.868 -0.012 0.000 1.068 124 T HN 0.119 nan 8.240 nan 0.000 0.481 125 P HA 0.115 nan 4.420 nan 0.000 0.262 125 P C 0.903 178.034 177.300 -0.281 0.000 1.182 125 P CA -0.009 62.993 63.100 -0.163 0.000 0.761 125 P CB 0.486 32.021 31.700 -0.274 0.000 0.795 126 E N 3.100 123.234 120.200 -0.110 0.000 2.085 126 E HA -0.172 4.178 4.350 0.001 0.000 0.194 126 E C 1.846 178.396 176.600 -0.083 0.000 0.994 126 E CA 1.388 57.745 56.400 -0.072 0.000 0.801 126 E CB -0.441 29.272 29.700 0.021 0.000 0.743 126 E HN 0.729 nan 8.360 nan 0.000 0.453 127 W N 0.773 122.076 121.300 0.005 0.000 2.421 127 W HA 0.062 4.722 4.660 0.001 0.000 0.270 127 W C 1.631 178.157 176.519 0.011 0.000 1.233 127 W CA 0.939 58.283 57.345 -0.001 0.000 1.226 127 W CB -0.687 28.767 29.460 -0.009 0.000 1.121 127 W HN -0.040 nan 8.180 nan 0.000 0.579 128 A N 1.595 123.858 122.820 -0.928 0.000 2.016 128 A HA -0.078 4.243 4.320 0.001 0.000 0.217 128 A C 2.107 179.493 177.584 -0.329 0.000 1.162 128 A CA 1.154 52.690 52.037 -0.835 0.000 0.662 128 A CB -0.539 17.878 19.000 -0.972 0.000 0.812 128 A HN 0.286 nan 8.150 nan 0.000 0.450 129 K N 0.338 120.593 120.400 -0.242 0.000 2.209 129 K HA -0.116 4.204 4.320 0.001 0.000 0.204 129 K C 0.440 176.984 176.600 -0.093 0.000 1.048 129 K CA 1.404 57.602 56.287 -0.148 0.000 0.940 129 K CB 0.018 32.447 32.500 -0.118 0.000 0.729 129 K HN 0.756 nan 8.250 nan 0.000 0.451 130 E N -0.134 120.040 120.200 -0.043 0.000 3.157 130 E HA 0.301 4.652 4.350 0.001 0.000 0.203 130 E C -0.685 175.972 176.600 0.095 0.000 0.982 130 E CA -0.375 56.038 56.400 0.020 0.000 1.217 130 E CB 0.897 30.632 29.700 0.058 0.000 1.123 130 E HN 0.051 nan 8.360 nan 0.000 0.457 131 A N 0.599 123.443 122.820 0.040 0.000 2.269 131 A HA 0.650 4.970 4.320 0.001 0.000 0.319 131 A C -0.290 177.299 177.584 0.008 0.000 1.110 131 A CA -0.623 51.476 52.037 0.104 0.000 0.847 131 A CB 1.465 20.555 19.000 0.150 0.000 1.161 131 A HN 0.118 nan 8.150 nan 0.000 0.497 132 V N 2.085 122.021 119.914 0.036 0.000 2.488 132 V HA 0.301 4.422 4.120 0.001 0.000 0.293 132 V C -1.069 174.993 176.094 -0.053 0.000 1.027 132 V CA -0.169 62.101 62.300 -0.050 0.000 0.862 132 V CB 0.945 32.754 31.823 -0.023 0.000 1.008 132 V HN 0.689 nan 8.190 nan 0.000 0.428 133 I N 4.384 124.837 120.570 -0.196 0.000 2.488 133 I HA 0.411 4.582 4.170 0.001 0.000 0.299 133 I C -0.561 175.496 176.117 -0.099 0.000 0.984 133 I CA -0.589 60.578 61.300 -0.222 0.000 1.250 133 I CB 1.111 38.733 38.000 -0.629 0.000 1.389 133 I HN 0.594 nan 8.210 nan 0.000 0.488 134 Y N 4.925 125.135 120.300 -0.151 0.000 2.328 134 Y HA 0.373 4.924 4.550 0.001 0.000 0.333 134 Y C -0.007 175.844 175.900 -0.082 0.000 0.958 134 Y CA -0.600 57.444 58.100 -0.095 0.000 1.167 134 Y CB 1.004 39.401 38.460 -0.107 0.000 1.151 134 Y HN 0.580 nan 8.280 nan 0.000 0.470 135 Q N 6.725 126.380 119.800 -0.242 0.000 2.307 135 Q HA 0.329 4.669 4.340 0.001 0.000 0.259 135 Q C -1.198 174.721 176.000 -0.134 0.000 0.998 135 Q CA -0.393 55.421 55.803 0.018 0.000 0.923 135 Q CB 0.490 29.443 28.738 0.359 0.000 1.196 135 Q HN 0.608 nan 8.270 nan 0.000 0.416 136 I N 5.201 125.595 120.570 -0.293 0.000 2.321 136 I HA 0.182 4.353 4.170 0.001 0.000 0.291 136 I C -0.546 175.496 176.117 -0.125 0.000 0.998 136 I CA -0.483 60.607 61.300 -0.350 0.000 1.227 136 I CB 0.754 38.278 38.000 -0.793 0.000 1.368 136 I HN 0.694 nan 8.210 nan 0.000 0.466 137 F N 9.909 129.769 119.950 -0.150 0.000 2.329 137 F HA 0.352 4.879 4.527 0.001 0.000 0.362 137 F C -1.212 174.540 175.800 -0.079 0.000 1.113 137 F CA -1.801 56.160 58.000 -0.065 0.000 1.212 137 F CB 0.761 39.845 39.000 0.140 0.000 1.509 137 F HN 0.343 nan 8.300 nan 0.000 0.546 138 P HA -0.325 nan 4.420 nan 0.000 0.219 138 P C 1.315 178.580 177.300 -0.060 0.000 1.161 138 P CA 1.611 64.571 63.100 -0.232 0.000 0.909 138 P CB 0.257 31.467 31.700 -0.816 0.000 0.793 139 E N -0.617 119.522 120.200 -0.100 0.000 2.331 139 E HA -0.168 4.182 4.350 0.001 0.000 0.199 139 E C 1.448 178.271 176.600 0.371 0.000 1.008 139 E CA 0.948 57.527 56.400 0.298 0.000 0.843 139 E CB -0.119 29.782 29.700 0.335 0.000 0.761 139 E HN 0.120 nan 8.360 nan 0.000 0.507 140 R N -2.031 118.659 120.500 0.316 0.000 2.549 140 R HA 0.218 4.559 4.340 0.001 0.000 0.344 140 R C 1.261 177.647 176.300 0.144 0.000 0.979 140 R CA -0.186 56.029 56.100 0.190 0.000 1.140 140 R CB -0.186 30.220 30.300 0.176 0.000 1.377 140 R HN 0.097 nan 8.270 nan 0.000 0.541 141 F N 0.072 120.052 119.950 0.050 0.000 2.104 141 F HA 0.395 4.922 4.527 0.001 0.000 0.288 141 F C 0.250 176.350 175.800 0.500 0.000 1.107 141 F CA 0.605 58.663 58.000 0.098 0.000 1.208 141 F CB 0.420 39.461 39.000 0.069 0.000 1.033 141 F HN -0.039 nan 8.300 nan 0.000 0.478 142 A N 0.476 123.371 122.820 0.124 0.000 2.540 142 A HA 0.360 4.680 4.320 0.001 0.000 0.297 142 A C -1.713 175.761 177.584 -0.183 0.000 1.056 142 A CA -0.667 51.221 52.037 -0.248 0.000 0.700 142 A CB 0.621 19.248 19.000 -0.622 0.000 1.280 142 A HN 0.223 nan 8.150 nan 0.000 0.398 143 N N 1.690 120.120 118.700 -0.450 0.000 2.589 143 N HA 0.379 5.120 4.740 0.001 0.000 0.232 143 N C 1.028 176.393 175.510 -0.241 0.000 1.015 143 N CA 0.492 53.425 53.050 -0.195 0.000 0.931 143 N CB 1.206 39.626 38.487 -0.111 0.000 1.150 143 N HN 0.756 nan 8.380 nan 0.000 0.512 144 G N 1.490 110.196 108.800 -0.157 0.000 2.539 144 G HA2 -0.080 3.881 3.960 0.001 0.000 0.215 144 G HA3 -0.080 3.881 3.960 0.001 0.000 0.215 144 G C 0.024 174.861 174.900 -0.105 0.000 1.141 144 G CA 0.094 45.099 45.100 -0.160 0.000 0.806 144 G HN 0.574 nan 8.290 nan 0.000 0.533 145 D N -1.004 119.360 120.400 -0.060 0.000 2.389 145 D HA 0.402 5.043 4.640 0.001 0.000 0.256 145 D C -1.936 174.348 176.300 -0.027 0.000 1.239 145 D CA -1.960 52.016 54.000 -0.040 0.000 0.925 145 D CB 2.038 42.825 40.800 -0.023 0.000 1.145 145 D HN -0.142 nan 8.370 nan 0.000 0.542 146 P HA -0.128 nan 4.420 nan 0.000 0.221 146 P C 1.231 178.517 177.300 -0.024 0.000 1.145 146 P CA 0.881 63.969 63.100 -0.019 0.000 0.795 146 P CB 0.181 31.867 31.700 -0.022 0.000 0.775 147 S N -0.143 115.541 115.700 -0.027 0.000 2.474 147 S HA -0.123 4.347 4.470 0.001 0.000 0.235 147 S C 1.452 176.027 174.600 -0.041 0.000 0.997 147 S CA 1.171 59.353 58.200 -0.030 0.000 0.949 147 S CB -1.278 61.907 63.200 -0.026 0.000 0.766 147 S HN 0.246 nan 8.310 nan 0.000 0.517 148 N N 0.443 119.117 118.700 -0.045 0.000 2.205 148 N HA 0.152 4.892 4.740 0.001 0.000 0.201 148 N C -1.167 174.272 175.510 -0.118 0.000 1.128 148 N CA -0.299 52.708 53.050 -0.071 0.000 0.867 148 N CB -0.374 38.082 38.487 -0.052 0.000 0.996 148 N HN 0.134 nan 8.380 nan 0.000 0.503 149 D N 1.843 122.184 120.400 -0.099 0.000 2.455 149 D HA 0.154 4.794 4.640 0.001 0.000 0.241 149 D C -2.155 174.004 176.300 -0.236 0.000 1.138 149 D CA -0.787 53.125 54.000 -0.147 0.000 0.877 149 D CB 0.376 41.139 40.800 -0.063 0.000 1.187 149 D HN 0.224 nan 8.370 nan 0.000 0.451 150 P HA 0.227 nan 4.420 nan 0.000 0.274 150 P C -2.527 174.648 177.300 -0.210 0.000 1.231 150 P CA -1.198 61.627 63.100 -0.458 0.000 0.790 150 P CB 0.104 31.153 31.700 -1.085 0.000 0.951 151 P HA 0.062 nan 4.420 nan 0.000 0.264 151 P C 0.827 178.167 177.300 0.066 0.000 1.183 151 P CA 1.312 64.410 63.100 -0.003 0.000 0.763 151 P CB 0.017 31.726 31.700 0.014 0.000 0.807 152 G N 1.355 110.185 108.800 0.051 0.000 2.132 152 G HA2 -0.217 3.743 3.960 0.001 0.000 0.234 152 G HA3 -0.217 3.743 3.960 0.001 0.000 0.234 152 G C 0.289 175.228 174.900 0.064 0.000 0.989 152 G CA -0.090 45.050 45.100 0.067 0.000 0.676 152 G HN 0.587 nan 8.290 nan 0.000 0.522 153 T N 1.145 115.724 114.554 0.041 0.000 2.934 153 T HA 0.383 4.734 4.350 0.001 0.000 0.306 153 T C 0.557 175.230 174.700 -0.046 0.000 1.042 153 T CA 0.573 62.679 62.100 0.010 0.000 1.145 153 T CB 1.209 70.080 68.868 0.005 0.000 0.982 153 T HN 0.471 nan 8.240 nan 0.000 0.544 154 E N 1.803 121.888 120.200 -0.192 0.000 2.283 154 E HA 0.184 4.535 4.350 0.001 0.000 0.271 154 E C 0.081 176.668 176.600 -0.021 0.000 1.031 154 E CA -0.982 55.319 56.400 -0.165 0.000 0.868 154 E CB 0.615 30.136 29.700 -0.300 0.000 1.094 154 E HN 0.476 nan 8.360 nan 0.000 0.401 155 Q N 1.110 120.952 119.800 0.071 0.000 2.369 155 Q HA -0.104 4.236 4.340 0.001 0.000 0.295 155 Q C -0.472 175.702 176.000 0.289 0.000 1.075 155 Q CA 0.519 56.425 55.803 0.172 0.000 0.941 155 Q CB 0.396 29.214 28.738 0.132 0.000 1.260 155 Q HN 0.557 nan 8.270 nan 0.000 0.417 156 W N 1.994 123.406 121.300 0.187 0.000 2.422 156 W HA 0.480 5.141 4.660 0.001 0.000 0.349 156 W C -1.145 175.455 176.519 0.134 0.000 1.062 156 W CA -0.457 57.018 57.345 0.217 0.000 1.497 156 W CB 0.284 29.846 29.460 0.169 0.000 1.407 156 W HN 0.575 nan 8.180 nan 0.000 0.393 157 A N 4.835 127.748 122.820 0.155 0.000 2.539 157 A HA 0.290 4.611 4.320 0.001 0.000 0.296 157 A C 0.845 178.449 177.584 0.034 0.000 1.073 157 A CA -0.662 51.458 52.037 0.138 0.000 0.700 157 A CB 1.894 20.965 19.000 0.118 0.000 1.296 157 A HN 0.607 nan 8.150 nan 0.000 0.405 158 K N 0.399 120.827 120.400 0.047 0.000 2.103 158 K HA -0.219 4.102 4.320 0.001 0.000 0.207 158 K C 0.897 177.486 176.600 -0.018 0.000 1.048 158 K CA 2.493 58.779 56.287 -0.001 0.000 0.930 158 K CB -0.196 32.311 32.500 0.011 0.000 0.716 158 K HN 0.843 nan 8.250 nan 0.000 0.444 159 D N 0.246 120.649 120.400 0.006 0.000 2.348 159 D HA -0.002 4.639 4.640 0.001 0.000 0.216 159 D C 0.324 176.628 176.300 0.008 0.000 0.970 159 D CA 0.321 54.325 54.000 0.006 0.000 0.889 159 D CB 0.012 40.823 40.800 0.018 0.000 0.912 159 D HN 0.251 nan 8.370 nan 0.000 0.524 160 A N 0.850 123.676 122.820 0.010 0.000 2.498 160 A HA 0.313 4.634 4.320 0.001 0.000 0.239 160 A C 0.300 177.890 177.584 0.010 0.000 1.068 160 A CA -0.302 51.757 52.037 0.037 0.000 0.766 160 A CB 0.343 19.398 19.000 0.092 0.000 1.003 160 A HN 0.057 nan 8.150 nan 0.000 0.497 161 R N 2.564 123.090 120.500 0.043 0.000 2.352 161 R HA 0.327 4.668 4.340 0.001 0.000 0.304 161 R C -2.895 173.446 176.300 0.069 0.000 1.104 161 R CA -1.884 54.231 56.100 0.025 0.000 0.991 161 R CB 0.554 30.863 30.300 0.015 0.000 1.140 161 R HN 0.501 nan 8.270 nan 0.000 0.540 162 P HA -0.025 nan 4.420 nan 0.000 0.264 162 P C -0.258 177.096 177.300 0.090 0.000 1.173 162 P CA 0.388 63.585 63.100 0.162 0.000 0.761 162 P CB 0.660 32.416 31.700 0.094 0.000 0.794 163 R N 1.260 121.825 120.500 0.109 0.000 2.832 163 R HA 0.296 4.637 4.340 0.001 0.000 0.271 163 R C 1.341 177.690 176.300 0.081 0.000 0.996 163 R CA -0.847 55.296 56.100 0.071 0.000 0.977 163 R CB 0.644 30.985 30.300 0.069 0.000 1.168 163 R HN 0.547 nan 8.270 nan 0.000 0.482 164 H N 1.780 120.873 119.070 0.039 0.000 2.431 164 H HA -0.160 4.397 4.556 0.001 0.000 0.297 164 H C 0.597 175.911 175.328 -0.022 0.000 1.115 164 H CA 2.113 58.177 56.048 0.026 0.000 1.277 164 H CB 0.291 30.055 29.762 0.002 0.000 1.372 164 H HN 0.627 nan 8.280 nan 0.000 0.516 165 D N -0.924 119.526 120.400 0.082 0.000 2.424 165 D HA 0.046 4.686 4.640 0.001 0.000 0.220 165 D C 0.415 176.706 176.300 -0.015 0.000 1.150 165 D CA -0.147 53.826 54.000 -0.045 0.000 0.831 165 D CB 0.006 40.765 40.800 -0.069 0.000 0.981 165 D HN -0.088 nan 8.370 nan 0.000 0.500 166 S N -0.059 115.660 115.700 0.031 0.000 2.596 166 S HA 0.430 4.900 4.470 0.001 0.000 0.260 166 S C -0.345 174.214 174.600 -0.068 0.000 1.336 166 S CA 0.023 58.222 58.200 -0.003 0.000 0.993 166 S CB 0.568 63.852 63.200 0.139 0.000 0.923 166 S HN 0.265 nan 8.310 nan 0.000 0.567 167 F N -0.264 119.600 119.950 -0.142 0.000 2.608 167 F HA 0.349 4.877 4.527 0.001 0.000 0.309 167 F C -0.693 174.871 175.800 -0.394 0.000 1.103 167 F CA -0.690 57.251 58.000 -0.098 0.000 0.954 167 F CB 1.712 40.655 39.000 -0.095 0.000 1.267 167 F HN 0.616 nan 8.300 nan 0.000 0.444 168 Y N 0.239 120.730 120.300 0.318 0.000 2.540 168 Y HA 0.276 4.827 4.550 0.001 0.000 0.257 168 Y C 1.285 177.390 175.900 0.340 0.000 1.090 168 Y CA 0.231 58.460 58.100 0.214 0.000 1.242 168 Y CB 1.528 39.950 38.460 -0.062 0.000 1.325 168 Y HN 0.785 nan 8.280 nan 0.000 0.544 169 G N 0.808 109.809 108.800 0.335 0.000 2.136 169 G HA2 -0.236 3.724 3.960 0.001 0.000 0.242 169 G HA3 -0.236 3.724 3.960 0.001 0.000 0.242 169 G C 0.695 175.790 174.900 0.324 0.000 0.989 169 G CA -0.068 45.167 45.100 0.225 0.000 0.682 169 G HN 0.693 nan 8.290 nan 0.000 0.522 170 G N 0.192 109.274 108.800 0.470 0.000 2.414 170 G HA2 0.545 4.506 3.960 0.001 0.000 0.236 170 G HA3 0.545 4.506 3.960 0.001 0.000 0.236 170 G C 0.063 175.168 174.900 0.343 0.000 1.293 170 G CA 0.944 46.306 45.100 0.435 0.000 0.869 170 G HN 1.191 nan 8.290 nan 0.000 0.556 171 D N -0.057 120.483 120.400 0.235 0.000 2.643 171 D HA 0.178 4.818 4.640 0.001 0.000 0.283 171 D C 1.166 177.535 176.300 0.116 0.000 1.242 171 D CA -0.932 53.196 54.000 0.213 0.000 0.863 171 D CB 0.400 41.302 40.800 0.171 0.000 1.382 171 D HN 0.175 nan 8.370 nan 0.000 0.444 172 L N -0.900 120.370 121.223 0.078 0.000 2.131 172 L HA -0.081 4.260 4.340 0.001 0.000 0.210 172 L C 2.179 179.079 176.870 0.050 0.000 1.092 172 L CA 1.113 55.976 54.840 0.038 0.000 0.759 172 L CB -0.559 41.516 42.059 0.026 0.000 0.903 172 L HN 0.437 nan 8.230 nan 0.000 0.435 173 K N 1.062 121.481 120.400 0.032 0.000 2.097 173 K HA -0.112 4.209 4.320 0.001 0.000 0.206 173 K C 1.963 178.533 176.600 -0.049 0.000 1.049 173 K CA 1.504 57.785 56.287 -0.011 0.000 0.933 173 K CB -0.663 31.823 32.500 -0.023 0.000 0.717 173 K HN 0.218 nan 8.250 nan 0.000 0.442 174 G N -0.184 108.583 108.800 -0.054 0.000 2.418 174 G HA2 -0.187 3.773 3.960 0.001 0.000 0.217 174 G HA3 -0.187 3.773 3.960 0.001 0.000 0.217 174 G C 1.518 176.359 174.900 -0.097 0.000 1.158 174 G CA 0.973 45.974 45.100 -0.165 0.000 0.771 174 G HN 0.192 nan 8.290 nan 0.000 0.545 175 V N 1.325 121.327 119.914 0.147 0.000 2.392 175 V HA -0.207 3.914 4.120 0.001 0.000 0.249 175 V C 2.768 178.968 176.094 0.176 0.000 1.059 175 V CA 1.600 64.127 62.300 0.377 0.000 1.051 175 V CB -0.402 31.695 31.823 0.457 0.000 0.658 175 V HN 0.415 nan 8.190 nan 0.000 0.455 176 I N 0.033 120.636 120.570 0.056 0.000 2.163 176 I HA -0.190 3.981 4.170 0.001 0.000 0.240 176 I C 2.253 178.337 176.117 -0.054 0.000 1.081 176 I CA 1.599 62.897 61.300 -0.002 0.000 1.353 176 I CB -0.642 37.340 38.000 -0.030 0.000 1.054 176 I HN 0.288 nan 8.210 nan 0.000 0.407 177 D N 0.869 121.199 120.400 -0.117 0.000 2.265 177 D HA -0.137 4.503 4.640 0.001 0.000 0.208 177 D C 1.903 178.059 176.300 -0.241 0.000 0.977 177 D CA 0.948 54.835 54.000 -0.188 0.000 0.871 177 D CB -0.209 40.435 40.800 -0.260 0.000 0.925 177 D HN 0.263 nan 8.370 nan 0.000 0.485 178 R N 0.107 120.464 120.500 -0.239 0.000 2.362 178 R HA 0.222 4.562 4.340 0.001 0.000 0.227 178 R C 2.176 178.496 176.300 0.034 0.000 0.905 178 R CA -0.198 55.744 56.100 -0.263 0.000 1.067 178 R CB -0.218 29.760 30.300 -0.536 0.000 1.078 178 R HN 0.276 nan 8.270 nan 0.000 0.516 179 L N 1.000 122.246 121.223 0.039 0.000 2.081 179 L HA -0.150 4.190 4.340 0.001 0.000 0.212 179 L C -0.657 176.256 176.870 0.072 0.000 1.080 179 L CA 1.699 56.581 54.840 0.070 0.000 0.754 179 L CB -1.379 40.696 42.059 0.025 0.000 0.893 179 L HN 0.048 nan 8.230 nan 0.000 0.433 180 P HA -0.226 nan 4.420 nan 0.000 0.218 180 P C 1.247 178.628 177.300 0.135 0.000 1.148 180 P CA 1.265 64.403 63.100 0.063 0.000 0.822 180 P CB -0.028 31.692 31.700 0.033 0.000 0.784 181 Y N 0.174 120.500 120.300 0.044 0.000 2.133 181 Y HA -0.183 4.367 4.550 0.001 0.000 0.287 181 Y C 1.983 177.977 175.900 0.156 0.000 1.134 181 Y CA 1.449 59.631 58.100 0.136 0.000 1.133 181 Y CB -0.990 37.582 38.460 0.188 0.000 0.987 181 Y HN -0.247 nan 8.280 nan 0.000 0.502 182 L N 0.838 122.141 121.223 0.134 0.000 2.042 182 L HA -0.231 4.109 4.340 0.001 0.000 0.210 182 L C 2.454 179.264 176.870 -0.100 0.000 1.076 182 L CA 2.147 56.924 54.840 -0.106 0.000 0.749 182 L CB -1.609 40.381 42.059 -0.115 0.000 0.893 182 L HN 0.427 nan 8.230 nan 0.000 0.432 183 E N -0.072 120.112 120.200 -0.028 0.000 2.077 183 E HA -0.265 4.085 4.350 0.001 0.000 0.193 183 E C 2.113 178.693 176.600 -0.033 0.000 0.989 183 E CA 1.384 57.768 56.400 -0.027 0.000 0.800 183 E CB 0.095 29.792 29.700 -0.006 0.000 0.746 183 E HN 0.488 nan 8.360 nan 0.000 0.452 184 E N 0.146 120.339 120.200 -0.011 0.000 2.051 184 E HA -0.224 4.126 4.350 0.001 0.000 0.192 184 E C 2.245 178.790 176.600 -0.091 0.000 0.991 184 E CA 1.050 57.450 56.400 0.000 0.000 0.799 184 E CB -0.115 29.648 29.700 0.106 0.000 0.748 184 E HN 0.225 nan 8.360 nan 0.000 0.449 185 L N -0.113 121.012 121.223 -0.164 0.000 2.079 185 L HA -0.073 4.267 4.340 0.001 0.000 0.210 185 L C 1.555 178.325 176.870 -0.166 0.000 1.081 185 L CA 2.555 57.214 54.840 -0.301 0.000 0.752 185 L CB -0.305 41.584 42.059 -0.284 0.000 0.896 185 L HN 0.381 nan 8.230 nan 0.000 0.433 186 G N -1.666 107.083 108.800 -0.086 0.000 2.168 186 G HA2 -0.165 3.796 3.960 0.001 0.000 0.197 186 G HA3 -0.165 3.796 3.960 0.001 0.000 0.197 186 G C 0.271 175.208 174.900 0.060 0.000 0.997 186 G CA 0.153 45.256 45.100 0.005 0.000 0.658 186 G HN 0.883 nan 8.290 nan 0.000 0.513 187 V N -0.562 119.352 119.914 0.000 0.000 2.843 187 V HA 0.728 4.848 4.120 0.001 0.000 0.305 187 V C 1.273 177.386 176.094 0.031 0.000 1.065 187 V CA 1.307 63.625 62.300 0.030 0.000 1.116 187 V CB 1.428 33.247 31.823 -0.006 0.000 0.968 187 V HN 1.131 nan 8.190 nan 0.000 0.487 188 T N -0.112 114.479 114.554 0.063 0.000 3.040 188 T HA 0.709 5.059 4.350 0.001 0.000 0.266 188 T C 0.210 174.933 174.700 0.039 0.000 1.005 188 T CA 0.380 62.513 62.100 0.055 0.000 0.906 188 T CB -0.167 68.774 68.868 0.122 0.000 1.082 188 T HN 2.047 nan 8.240 nan 0.000 0.531 189 A N 0.794 123.636 122.820 0.037 0.000 2.599 189 A HA 0.666 4.986 4.320 0.001 0.000 0.294 189 A C -1.871 175.721 177.584 0.013 0.000 1.055 189 A CA -0.915 51.137 52.037 0.025 0.000 0.683 189 A CB 0.845 19.916 19.000 0.119 0.000 1.278 189 A HN 0.371 nan 8.150 nan 0.000 0.412 190 L N 1.728 122.948 121.223 -0.005 0.000 2.341 190 L HA 0.576 4.916 4.340 0.001 0.000 0.278 190 L C -0.939 175.885 176.870 -0.076 0.000 1.005 190 L CA -0.755 54.017 54.840 -0.113 0.000 0.818 190 L CB 1.832 43.732 42.059 -0.265 0.000 1.259 190 L HN 0.810 nan 8.230 nan 0.000 0.418 191 Y N 3.450 123.603 120.300 -0.244 0.000 2.328 191 Y HA 0.593 5.144 4.550 0.001 0.000 0.337 191 Y C -1.418 174.345 175.900 -0.227 0.000 0.966 191 Y CA -1.035 57.025 58.100 -0.067 0.000 1.136 191 Y CB 0.953 39.479 38.460 0.110 0.000 1.170 191 Y HN 0.283 nan 8.280 nan 0.000 0.470 192 F N 4.071 123.778 119.950 -0.404 0.000 2.421 192 F HA 0.441 4.968 4.527 0.001 0.000 0.337 192 F C 0.941 176.254 175.800 -0.811 0.000 1.105 192 F CA -0.521 57.149 58.000 -0.550 0.000 1.049 192 F CB 1.661 40.471 39.000 -0.317 0.000 1.139 192 F HN 0.633 nan 8.300 nan 0.000 0.479 193 T N 0.589 114.824 114.554 -0.532 0.000 2.715 193 T HA 0.272 4.623 4.350 0.001 0.000 0.320 193 T C -2.562 171.922 174.700 -0.360 0.000 1.046 193 T CA -1.690 60.152 62.100 -0.430 0.000 0.983 193 T CB -0.066 68.602 68.868 -0.333 0.000 1.183 193 T HN 0.180 nan 8.240 nan 0.000 0.522 194 P HA 0.272 nan 4.420 nan 0.000 0.265 194 P C -0.380 176.721 177.300 -0.331 0.000 1.193 194 P CA 0.048 62.880 63.100 -0.446 0.000 0.765 194 P CB -0.078 31.301 31.700 -0.535 0.000 0.823 195 I N 0.119 120.488 120.570 -0.334 0.000 2.901 195 I HA 0.479 4.650 4.170 0.001 0.000 0.289 195 I C -1.193 175.104 176.117 0.301 0.000 1.553 195 I CA -0.276 61.033 61.300 0.014 0.000 0.829 195 I CB 0.076 37.913 38.000 -0.273 0.000 1.840 195 I HN 0.123 nan 8.210 nan 0.000 0.606 196 F N 1.797 121.743 119.950 -0.008 0.000 2.613 196 F HA 0.737 5.264 4.527 0.001 0.000 0.310 196 F C 0.853 176.651 175.800 -0.004 0.000 1.085 196 F CA -1.662 56.325 58.000 -0.021 0.000 0.945 196 F CB 2.353 41.319 39.000 -0.056 0.000 1.298 196 F HN 0.350 nan 8.300 nan 0.000 0.455 197 A N 2.455 125.386 122.820 0.185 0.000 2.567 197 A HA 0.251 4.571 4.320 0.001 0.000 0.263 197 A C 0.060 177.690 177.584 0.077 0.000 1.030 197 A CA 1.008 53.099 52.037 0.091 0.000 0.833 197 A CB -0.390 18.657 19.000 0.078 0.000 0.924 197 A HN 0.593 nan 8.150 nan 0.000 0.518 198 S N 3.480 119.202 115.700 0.037 0.000 2.533 198 S HA 0.693 5.164 4.470 0.001 0.000 0.271 198 S C -2.160 172.450 174.600 0.016 0.000 1.143 198 S CA -0.513 57.711 58.200 0.040 0.000 0.891 198 S CB 1.783 65.008 63.200 0.041 0.000 1.105 198 S HN 0.424 nan 8.310 nan 0.000 0.468 199 P HA 0.064 nan 4.420 nan 0.000 0.227 199 P C 0.705 178.032 177.300 0.045 0.000 1.161 199 P CA 0.379 63.505 63.100 0.044 0.000 0.788 199 P CB -0.079 31.664 31.700 0.071 0.000 0.822 200 S N -0.961 114.732 115.700 -0.013 0.000 2.686 200 S HA 0.148 4.619 4.470 0.001 0.000 0.270 200 S C 1.272 175.859 174.600 -0.022 0.000 1.194 200 S CA -0.416 57.728 58.200 -0.092 0.000 0.990 200 S CB -0.078 62.783 63.200 -0.566 0.000 1.029 200 S HN 0.142 nan 8.310 nan 0.000 0.560 201 H N 0.135 119.082 119.070 -0.205 0.000 2.415 201 H HA -0.032 4.525 4.556 0.001 0.000 0.297 201 H C 2.044 177.419 175.328 0.077 0.000 1.048 201 H CA 1.761 57.810 56.048 0.003 0.000 1.365 201 H CB -0.098 29.645 29.762 -0.031 0.000 1.421 201 H HN 0.948 nan 8.280 nan 0.000 0.533 202 H N -0.099 119.192 119.070 0.369 0.000 2.436 202 H HA 0.080 4.636 4.556 0.001 0.000 0.294 202 H C 0.731 176.087 175.328 0.046 0.000 1.048 202 H CA 0.535 56.783 56.048 0.334 0.000 1.353 202 H CB 0.182 30.272 29.762 0.548 0.000 1.414 202 H HN -0.095 nan 8.280 nan 0.000 0.536 203 K N -1.105 119.339 120.400 0.073 0.000 3.379 203 K HA -0.224 4.097 4.320 0.001 0.000 0.300 203 K C -0.170 176.464 176.600 0.057 0.000 1.302 203 K CA 1.008 57.319 56.287 0.040 0.000 0.877 203 K CB -2.719 29.772 32.500 -0.017 0.000 1.343 203 K HN 0.490 nan 8.250 nan 0.000 0.488 204 Y N 1.342 121.988 120.300 0.577 0.000 2.544 204 Y HA -0.027 4.523 4.550 0.001 0.000 0.286 204 Y C 0.716 176.752 175.900 0.227 0.000 1.141 204 Y CA 0.692 58.946 58.100 0.255 0.000 1.299 204 Y CB 0.238 38.747 38.460 0.082 0.000 1.030 204 Y HN 0.150 nan 8.280 nan 0.000 0.543 205 D N -0.692 119.954 120.400 0.410 0.000 2.505 205 D HA 0.113 4.754 4.640 0.001 0.000 0.242 205 D C -0.241 176.157 176.300 0.163 0.000 1.136 205 D CA -0.436 53.748 54.000 0.308 0.000 0.954 205 D CB -0.152 40.856 40.800 0.346 0.000 1.002 205 D HN -0.151 nan 8.370 nan 0.000 0.512 206 T N 0.697 115.274 114.554 0.038 0.000 2.905 206 T HA 0.314 4.664 4.350 0.001 0.000 0.299 206 T C 1.253 175.953 174.700 0.001 0.000 1.024 206 T CA 0.152 62.169 62.100 -0.139 0.000 1.151 206 T CB 1.364 69.788 68.868 -0.739 0.000 0.987 206 T HN 0.529 nan 8.240 nan 0.000 0.535 207 A N 2.379 125.246 122.820 0.078 0.000 2.013 207 A HA 0.275 4.596 4.320 0.001 0.000 0.204 207 A C 0.819 178.589 177.584 0.311 0.000 1.262 207 A CA 0.065 52.236 52.037 0.223 0.000 0.800 207 A CB 0.435 19.532 19.000 0.161 0.000 0.909 207 A HN 0.699 nan 8.150 nan 0.000 0.472 208 D N -1.517 119.000 120.400 0.195 0.000 2.476 208 D HA 0.368 5.009 4.640 0.001 0.000 0.251 208 D C -0.464 175.955 176.300 0.198 0.000 1.291 208 D CA -0.549 53.603 54.000 0.253 0.000 0.939 208 D CB 0.494 41.382 40.800 0.147 0.000 1.221 208 D HN 0.188 nan 8.370 nan 0.000 0.567 209 Y N 1.993 122.560 120.300 0.446 0.000 2.421 209 Y HA 0.046 4.596 4.550 0.001 0.000 0.292 209 Y C 1.838 177.815 175.900 0.128 0.000 1.136 209 Y CA 0.796 59.141 58.100 0.409 0.000 1.255 209 Y CB 0.258 39.076 38.460 0.597 0.000 0.991 209 Y HN 0.407 nan 8.280 nan 0.000 0.552 210 L N -0.622 120.670 121.223 0.116 0.000 2.685 210 L HA 0.397 4.738 4.340 0.001 0.000 0.233 210 L C 0.382 177.085 176.870 -0.279 0.000 1.173 210 L CA -0.293 54.347 54.840 -0.334 0.000 0.961 210 L CB -0.237 41.434 42.059 -0.648 0.000 1.217 210 L HN 0.021 nan 8.230 nan 0.000 0.478 211 A N 0.462 123.260 122.820 -0.037 0.000 2.455 211 A HA 0.627 4.947 4.320 0.001 0.000 0.300 211 A C -0.409 177.236 177.584 0.102 0.000 1.040 211 A CA -0.538 51.530 52.037 0.051 0.000 0.697 211 A CB 1.548 20.557 19.000 0.015 0.000 1.265 211 A HN -0.017 nan 8.150 nan 0.000 0.407 212 I N 1.960 122.640 120.570 0.184 0.000 2.634 212 I HA 0.062 4.233 4.170 0.001 0.000 0.284 212 I C 0.466 176.664 176.117 0.135 0.000 1.124 212 I CA -0.040 61.366 61.300 0.178 0.000 1.417 212 I CB 0.718 38.828 38.000 0.184 0.000 1.396 212 I HN 0.722 nan 8.210 nan 0.000 0.571 213 D N 7.915 128.404 120.400 0.148 0.000 2.450 213 D HA 0.025 4.666 4.640 0.001 0.000 0.247 213 D C -1.663 174.596 176.300 -0.068 0.000 1.162 213 D CA -1.226 52.767 54.000 -0.012 0.000 0.879 213 D CB 1.769 42.458 40.800 -0.185 0.000 1.163 213 D HN 0.235 nan 8.370 nan 0.000 0.472 214 P HA -0.216 nan 4.420 nan 0.000 0.217 214 P C 1.232 178.454 177.300 -0.129 0.000 1.151 214 P CA 1.610 64.665 63.100 -0.075 0.000 0.849 214 P CB 0.022 31.677 31.700 -0.076 0.000 0.787 215 Q N -2.166 117.466 119.800 -0.279 0.000 2.369 215 Q HA -0.096 4.244 4.340 0.001 0.000 0.206 215 Q C 1.149 177.028 176.000 -0.202 0.000 0.963 215 Q CA 1.243 56.846 55.803 -0.334 0.000 0.894 215 Q CB -0.629 27.776 28.738 -0.556 0.000 0.965 215 Q HN 0.164 nan 8.270 nan 0.000 0.475 216 F N 0.165 120.085 119.950 -0.049 0.000 2.505 216 F HA 0.481 5.008 4.527 0.001 0.000 0.289 216 F C 1.382 177.175 175.800 -0.012 0.000 1.101 216 F CA 0.475 58.454 58.000 -0.035 0.000 1.446 216 F CB 0.608 39.577 39.000 -0.052 0.000 1.123 216 F HN 0.288 nan 8.300 nan 0.000 0.564 217 G N -0.350 108.552 108.800 0.170 0.000 2.373 217 G HA2 0.337 4.297 3.960 0.001 0.000 0.250 217 G HA3 0.337 4.297 3.960 0.001 0.000 0.250 217 G C -2.118 172.851 174.900 0.115 0.000 1.304 217 G CA -0.338 44.835 45.100 0.123 0.000 0.948 217 G HN 0.202 nan 8.290 nan 0.000 0.474 218 D N -1.443 119.034 120.400 0.129 0.000 2.610 218 D HA 0.612 5.253 4.640 0.001 0.000 0.271 218 D C 1.276 177.687 176.300 0.185 0.000 1.174 218 D CA -0.902 53.176 54.000 0.130 0.000 0.949 218 D CB 0.679 41.530 40.800 0.084 0.000 1.430 218 D HN 0.377 nan 8.370 nan 0.000 0.467 219 L N -0.212 121.120 121.223 0.182 0.000 2.021 219 L HA -0.080 4.260 4.340 0.001 0.000 0.215 219 L C -0.725 176.262 176.870 0.194 0.000 1.074 219 L CA 2.411 57.383 54.840 0.219 0.000 0.760 219 L CB -2.040 40.102 42.059 0.139 0.000 0.889 219 L HN 0.461 nan 8.230 nan 0.000 0.433 220 P HA -0.145 nan 4.420 nan 0.000 0.215 220 P C 1.632 178.981 177.300 0.081 0.000 1.157 220 P CA 2.098 65.244 63.100 0.076 0.000 0.874 220 P CB -0.116 31.612 31.700 0.047 0.000 0.790 221 T N -1.594 113.020 114.554 0.100 0.000 2.788 221 T HA -0.184 4.166 4.350 0.001 0.000 0.268 221 T C 1.556 176.320 174.700 0.107 0.000 1.044 221 T CA 0.968 63.117 62.100 0.082 0.000 1.139 221 T CB -1.226 67.693 68.868 0.085 0.000 0.867 221 T HN 0.007 nan 8.240 nan 0.000 0.454 222 F N 2.530 122.500 119.950 0.034 0.000 2.102 222 F HA -0.032 4.496 4.527 0.001 0.000 0.298 222 F C 2.538 178.344 175.800 0.009 0.000 1.105 222 F CA 1.038 59.058 58.000 0.034 0.000 1.239 222 F CB -0.188 38.906 39.000 0.156 0.000 0.991 222 F HN -0.126 nan 8.300 nan 0.000 0.474 223 R N 0.028 120.551 120.500 0.039 0.000 2.083 223 R HA -0.208 4.132 4.340 0.001 0.000 0.237 223 R C 2.344 178.542 176.300 -0.170 0.000 1.137 223 R CA 1.622 57.662 56.100 -0.101 0.000 0.951 223 R CB -0.706 29.585 30.300 -0.014 0.000 0.851 223 R HN 0.200 nan 8.270 nan 0.000 0.434 224 R N 1.282 121.722 120.500 -0.099 0.000 2.083 224 R HA -0.158 4.182 4.340 0.001 0.000 0.237 224 R C 2.238 178.446 176.300 -0.153 0.000 1.137 224 R CA 1.335 57.376 56.100 -0.099 0.000 0.951 224 R CB -0.866 29.403 30.300 -0.053 0.000 0.851 224 R HN 0.170 nan 8.270 nan 0.000 0.434 225 L N -0.107 121.000 121.223 -0.193 0.000 1.989 225 L HA -0.129 4.212 4.340 0.001 0.000 0.211 225 L C 2.031 178.705 176.870 -0.328 0.000 1.071 225 L CA 1.795 56.501 54.840 -0.224 0.000 0.749 225 L CB -0.845 41.071 42.059 -0.239 0.000 0.890 225 L HN 0.109 nan 8.230 nan 0.000 0.431 226 V N 0.191 119.788 119.914 -0.530 0.000 2.255 226 V HA -0.309 3.812 4.120 0.001 0.000 0.247 226 V C 2.400 178.147 176.094 -0.578 0.000 1.051 226 V CA 2.077 63.987 62.300 -0.650 0.000 1.018 226 V CB -0.903 30.500 31.823 -0.701 0.000 0.641 226 V HN 0.453 nan 8.190 nan 0.000 0.445 227 D N -0.396 119.795 120.400 -0.347 0.000 2.117 227 D HA -0.136 4.505 4.640 0.001 0.000 0.197 227 D C 2.303 178.525 176.300 -0.131 0.000 0.987 227 D CA 1.032 54.917 54.000 -0.191 0.000 0.829 227 D CB -0.224 40.506 40.800 -0.117 0.000 0.961 227 D HN 0.384 nan 8.370 nan 0.000 0.460 228 E N 0.267 120.388 120.200 -0.132 0.000 2.204 228 E HA -0.043 4.308 4.350 0.001 0.000 0.194 228 E C 1.935 178.493 176.600 -0.070 0.000 0.989 228 E CA 0.511 56.862 56.400 -0.082 0.000 0.824 228 E CB -0.041 29.616 29.700 -0.072 0.000 0.756 228 E HN 0.215 nan 8.360 nan 0.000 0.477 229 A N 0.379 123.130 122.820 -0.114 0.000 1.872 229 A HA -0.142 4.179 4.320 0.001 0.000 0.214 229 A C 1.876 179.461 177.584 0.001 0.000 1.187 229 A CA 1.220 53.212 52.037 -0.075 0.000 0.614 229 A CB -0.778 18.149 19.000 -0.122 0.000 0.826 229 A HN 0.312 nan 8.150 nan 0.000 0.442 230 H N 0.078 119.087 119.070 -0.101 0.000 2.290 230 H HA -0.151 4.405 4.556 0.001 0.000 0.298 230 H C 2.245 177.520 175.328 -0.089 0.000 1.087 230 H CA 1.366 57.347 56.048 -0.110 0.000 1.291 230 H CB -0.062 29.630 29.762 -0.116 0.000 1.369 230 H HN 0.575 nan 8.280 nan 0.000 0.492 231 R N 1.174 121.709 120.500 0.059 0.000 2.341 231 R HA -0.052 4.289 4.340 0.001 0.000 0.213 231 R C 1.273 177.569 176.300 -0.008 0.000 1.082 231 R CA 0.973 57.077 56.100 0.007 0.000 1.017 231 R CB -0.115 30.182 30.300 -0.006 0.000 0.860 231 R HN 0.283 nan 8.270 nan 0.000 0.473 232 R N 0.401 120.899 120.500 -0.003 0.000 2.468 232 R HA 0.120 4.460 4.340 0.001 0.000 0.280 232 R C 0.318 176.602 176.300 -0.026 0.000 0.963 232 R CA 0.419 56.509 56.100 -0.016 0.000 1.083 232 R CB 0.996 31.288 30.300 -0.014 0.000 1.200 232 R HN 0.509 nan 8.270 nan 0.000 0.541 233 G N 1.924 110.706 108.800 -0.031 0.000 2.176 233 G HA2 -0.263 3.698 3.960 0.001 0.000 0.252 233 G HA3 -0.263 3.698 3.960 0.001 0.000 0.252 233 G C 0.024 174.890 174.900 -0.056 0.000 1.024 233 G CA 0.035 45.100 45.100 -0.059 0.000 0.755 233 G HN 0.271 nan 8.290 nan 0.000 0.507 234 I N 0.393 120.949 120.570 -0.023 0.000 2.389 234 I HA 0.353 4.523 4.170 0.001 0.000 0.288 234 I C 0.412 176.536 176.117 0.012 0.000 0.999 234 I CA -1.076 60.211 61.300 -0.021 0.000 1.129 234 I CB 1.464 39.456 38.000 -0.014 0.000 1.288 234 I HN -0.145 nan 8.210 nan 0.000 0.444 235 K N 5.521 125.850 120.400 -0.117 0.000 2.102 235 K HA 0.546 4.867 4.320 0.001 0.000 0.244 235 K C -0.515 176.064 176.600 -0.036 0.000 1.021 235 K CA -0.664 55.517 56.287 -0.176 0.000 0.913 235 K CB 1.569 33.654 32.500 -0.691 0.000 1.062 235 K HN 0.343 nan 8.250 nan 0.000 0.485 236 I N 2.619 123.196 120.570 0.012 0.000 2.436 236 I HA 0.302 4.472 4.170 0.001 0.000 0.289 236 I C -0.348 175.846 176.117 0.128 0.000 1.010 236 I CA -0.818 60.533 61.300 0.085 0.000 1.098 236 I CB 1.292 39.307 38.000 0.024 0.000 1.266 236 I HN 0.301 nan 8.210 nan 0.000 0.434 237 I N 6.814 127.520 120.570 0.227 0.000 2.406 237 I HA 0.465 4.636 4.170 0.001 0.000 0.290 237 I C -0.054 176.233 176.117 0.285 0.000 0.999 237 I CA -0.531 60.930 61.300 0.268 0.000 1.124 237 I CB 1.774 40.054 38.000 0.467 0.000 1.289 237 I HN 0.265 nan 8.210 nan 0.000 0.441 238 L N 4.029 125.313 121.223 0.100 0.000 2.334 238 L HA 0.493 4.833 4.340 0.001 0.000 0.270 238 L C 0.127 177.080 176.870 0.139 0.000 1.018 238 L CA -0.803 54.054 54.840 0.027 0.000 0.811 238 L CB 1.944 43.879 42.059 -0.206 0.000 1.271 238 L HN 0.474 nan 8.230 nan 0.000 0.443 239 D N 1.426 121.832 120.400 0.009 0.000 2.295 239 D HA 0.388 5.029 4.640 0.001 0.000 0.248 239 D C -0.638 175.623 176.300 -0.065 0.000 1.154 239 D CA -0.062 53.965 54.000 0.045 0.000 0.857 239 D CB 1.878 42.654 40.800 -0.040 0.000 1.117 239 D HN 0.569 nan 8.370 nan 0.000 0.468 240 A N 3.883 126.651 122.820 -0.087 0.000 2.249 240 A HA 0.423 4.744 4.320 0.001 0.000 0.314 240 A C -0.324 176.907 177.584 -0.588 0.000 1.290 240 A CA -0.661 51.077 52.037 -0.498 0.000 0.893 240 A CB 0.752 19.161 19.000 -0.984 0.000 1.165 240 A HN 0.361 nan 8.150 nan 0.000 0.530 241 V N 4.033 123.719 119.914 -0.381 0.000 2.247 241 V HA 0.215 4.335 4.120 0.001 0.000 0.262 241 V C -0.197 175.883 176.094 -0.023 0.000 1.096 241 V CA 0.022 62.190 62.300 -0.221 0.000 0.895 241 V CB -0.717 31.022 31.823 -0.141 0.000 1.141 241 V HN 0.830 nan 8.190 nan 0.000 0.478 242 F N 1.706 121.573 119.950 -0.138 0.000 2.721 242 F HA 0.181 4.708 4.527 0.001 0.000 0.301 242 F C 1.940 177.540 175.800 -0.334 0.000 1.096 242 F CA -0.398 57.441 58.000 -0.268 0.000 1.308 242 F CB -0.656 38.130 39.000 -0.357 0.000 1.086 242 F HN 0.478 nan 8.300 nan 0.000 0.587 243 N N 0.415 119.067 118.700 -0.080 0.000 2.216 243 N HA -0.125 4.615 4.740 0.001 0.000 0.183 243 N C 0.090 175.634 175.510 0.057 0.000 1.017 243 N CA 1.138 54.158 53.050 -0.049 0.000 0.861 243 N CB -0.037 38.487 38.487 0.062 0.000 0.986 243 N HN 0.458 nan 8.380 nan 0.000 0.428 244 H N -3.325 115.761 119.070 0.027 0.000 3.016 244 H HA 0.789 5.346 4.556 0.001 0.000 0.362 244 H C -1.292 174.097 175.328 0.102 0.000 1.233 244 H CA -0.847 55.236 56.048 0.058 0.000 1.124 244 H CB 1.192 30.994 29.762 0.067 0.000 1.850 244 H HN 0.047 nan 8.280 nan 0.000 0.549 245 A N 1.078 124.023 122.820 0.208 0.000 2.392 245 A HA 0.843 5.164 4.320 0.001 0.000 0.283 245 A C 0.354 178.050 177.584 0.188 0.000 1.197 245 A CA -0.627 51.499 52.037 0.148 0.000 0.895 245 A CB 0.740 19.705 19.000 -0.058 0.000 1.400 245 A HN 1.094 nan 8.150 nan 0.000 0.461 246 G N -0.767 108.135 108.800 0.169 0.000 2.504 246 G HA2 0.414 4.374 3.960 0.001 0.000 0.288 246 G HA3 0.414 4.374 3.960 0.001 0.000 0.288 246 G C 0.158 175.178 174.900 0.201 0.000 1.182 246 G CA 0.386 45.605 45.100 0.198 0.000 0.894 246 G HN 0.746 nan 8.290 nan 0.000 0.521 247 D N -0.349 120.182 120.400 0.217 0.000 2.378 247 D HA -0.087 4.554 4.640 0.001 0.000 0.227 247 D C 1.079 177.616 176.300 0.395 0.000 1.012 247 D CA 0.507 54.726 54.000 0.364 0.000 0.905 247 D CB 0.330 41.360 40.800 0.382 0.000 0.895 247 D HN 0.253 nan 8.370 nan 0.000 0.532 248 Q N -0.354 119.622 119.800 0.293 0.000 2.282 248 Q HA 0.119 4.460 4.340 0.001 0.000 0.206 248 Q C -0.201 175.966 176.000 0.279 0.000 0.878 248 Q CA -0.549 55.393 55.803 0.231 0.000 0.944 248 Q CB -0.136 28.705 28.738 0.172 0.000 1.100 248 Q HN 0.285 nan 8.270 nan 0.000 0.509 249 F N 2.277 122.336 119.950 0.181 0.000 2.578 249 F HA -0.070 4.458 4.527 0.001 0.000 0.381 249 F C 1.272 177.135 175.800 0.105 0.000 1.069 249 F CA -0.958 57.155 58.000 0.189 0.000 1.231 249 F CB 0.230 39.359 39.000 0.215 0.000 1.086 249 F HN 0.112 nan 8.300 nan 0.000 0.564 250 F N 4.758 124.423 119.950 -0.475 0.000 2.111 250 F HA -0.244 4.284 4.527 0.001 0.000 0.300 250 F C 1.776 177.215 175.800 -0.601 0.000 1.088 250 F CA 1.680 59.385 58.000 -0.491 0.000 1.243 250 F CB -1.340 37.360 39.000 -0.500 0.000 0.996 250 F HN 0.415 nan 8.300 nan 0.000 0.483 251 A N 0.112 121.625 122.820 -2.179 0.000 1.930 251 A HA -0.102 4.218 4.320 0.001 0.000 0.217 251 A C 2.135 179.535 177.584 -0.307 0.000 1.175 251 A CA 1.493 52.574 52.037 -1.592 0.000 0.627 251 A CB -1.463 16.665 19.000 -1.455 0.000 0.815 251 A HN 0.538 nan 8.150 nan 0.000 0.443 252 F N 0.640 120.445 119.950 -0.241 0.000 2.128 252 F HA -0.025 4.502 4.527 0.001 0.000 0.295 252 F C 2.360 177.994 175.800 -0.277 0.000 1.100 252 F CA 1.301 59.049 58.000 -0.421 0.000 1.260 252 F CB -0.326 38.406 39.000 -0.447 0.000 1.009 252 F HN 0.104 nan 8.300 nan 0.000 0.476 253 R N -0.076 120.317 120.500 -0.178 0.000 2.159 253 R HA -0.201 4.140 4.340 0.001 0.000 0.237 253 R C 1.808 177.988 176.300 -0.200 0.000 1.131 253 R CA 1.655 57.624 56.100 -0.217 0.000 0.982 253 R CB -0.734 29.523 30.300 -0.073 0.000 0.868 253 R HN 0.335 nan 8.270 nan 0.000 0.453 254 D N 0.010 120.321 120.400 -0.149 0.000 2.117 254 D HA -0.110 4.530 4.640 0.001 0.000 0.198 254 D C 1.717 177.970 176.300 -0.079 0.000 0.982 254 D CA 0.839 54.802 54.000 -0.063 0.000 0.828 254 D CB 0.265 41.094 40.800 0.049 0.000 0.967 254 D HN -0.072 nan 8.370 nan 0.000 0.464 255 V N 0.301 120.145 119.914 -0.117 0.000 2.515 255 V HA -0.172 3.948 4.120 0.001 0.000 0.250 255 V C 2.402 178.390 176.094 -0.176 0.000 1.058 255 V CA 1.043 63.297 62.300 -0.077 0.000 1.064 255 V CB -0.415 31.395 31.823 -0.021 0.000 0.675 255 V HN 0.279 nan 8.190 nan 0.000 0.461 256 L N -0.538 120.453 121.223 -0.386 0.000 2.201 256 L HA -0.178 4.163 4.340 0.001 0.000 0.212 256 L C 2.489 179.261 176.870 -0.164 0.000 1.105 256 L CA 1.452 56.084 54.840 -0.346 0.000 0.775 256 L CB -0.322 41.463 42.059 -0.456 0.000 0.913 256 L HN 0.330 nan 8.230 nan 0.000 0.440 257 Q N -0.120 119.601 119.800 -0.131 0.000 2.226 257 Q HA -0.033 4.308 4.340 0.001 0.000 0.199 257 Q C 1.652 177.616 176.000 -0.059 0.000 0.945 257 Q CA 1.194 56.950 55.803 -0.079 0.000 0.861 257 Q CB 0.357 29.056 28.738 -0.064 0.000 0.953 257 Q HN 0.267 nan 8.270 nan 0.000 0.490 258 K N -0.634 119.730 120.400 -0.059 0.000 2.358 258 K HA 0.283 4.604 4.320 0.001 0.000 0.197 258 K C 0.806 177.352 176.600 -0.091 0.000 1.025 258 K CA 0.307 56.556 56.287 -0.064 0.000 1.104 258 K CB 0.838 33.301 32.500 -0.060 0.000 0.855 258 K HN 0.320 nan 8.250 nan 0.000 0.531 259 G N 2.985 111.755 108.800 -0.049 0.000 2.634 259 G HA2 -0.393 3.568 3.960 0.001 0.000 0.309 259 G HA3 -0.393 3.568 3.960 0.001 0.000 0.309 259 G C 0.587 175.252 174.900 -0.391 0.000 1.265 259 G CA 0.550 45.588 45.100 -0.103 0.000 0.998 259 G HN 0.426 nan 8.290 nan 0.000 0.551 260 E N 0.962 120.659 120.200 -0.838 0.000 2.472 260 E HA -0.083 4.267 4.350 0.001 0.000 0.200 260 E C 2.254 178.677 176.600 -0.295 0.000 1.046 260 E CA 0.924 56.918 56.400 -0.677 0.000 0.871 260 E CB -0.041 29.256 29.700 -0.672 0.000 0.806 260 E HN 0.465 nan 8.360 nan 0.000 0.533 261 Q N 0.123 119.790 119.800 -0.223 0.000 2.424 261 Q HA 0.088 4.429 4.340 0.001 0.000 0.204 261 Q C 0.616 176.544 176.000 -0.120 0.000 0.933 261 Q CA 0.190 55.907 55.803 -0.144 0.000 0.929 261 Q CB 0.380 29.049 28.738 -0.115 0.000 1.037 261 Q HN 0.006 nan 8.270 nan 0.000 0.511 262 S N 1.361 117.000 115.700 -0.103 0.000 2.562 262 S HA 0.131 4.601 4.470 0.001 0.000 0.281 262 S C 1.096 175.604 174.600 -0.153 0.000 1.333 262 S CA -0.278 57.877 58.200 -0.075 0.000 1.052 262 S CB 1.131 64.346 63.200 0.024 0.000 0.884 262 S HN 0.120 nan 8.310 nan 0.000 0.506 263 R N 1.223 121.521 120.500 -0.337 0.000 2.310 263 R HA 0.095 4.436 4.340 0.001 0.000 0.202 263 R C -0.161 175.702 176.300 -0.730 0.000 0.933 263 R CA 0.612 56.402 56.100 -0.516 0.000 1.054 263 R CB -0.126 29.771 30.300 -0.672 0.000 0.985 263 R HN 0.744 nan 8.270 nan 0.000 0.489 264 Y N -0.404 119.711 120.300 -0.308 0.000 2.557 264 Y HA 0.109 4.659 4.550 0.001 0.000 0.247 264 Y C 1.730 177.626 175.900 -0.006 0.000 1.164 264 Y CA -0.421 57.330 58.100 -0.581 0.000 1.218 264 Y CB 0.439 38.392 38.460 -0.845 0.000 1.210 264 Y HN -0.045 nan 8.280 nan 0.000 0.529 265 K N -0.309 120.218 120.400 0.210 0.000 2.160 265 K HA -0.188 4.133 4.320 0.001 0.000 0.206 265 K C 0.092 176.926 176.600 0.389 0.000 1.047 265 K CA 2.023 58.537 56.287 0.378 0.000 0.930 265 K CB -0.180 32.510 32.500 0.317 0.000 0.720 265 K HN 0.148 nan 8.250 nan 0.000 0.450 266 D N -0.405 120.159 120.400 0.273 0.000 2.325 266 D HA -0.007 4.634 4.640 0.001 0.000 0.234 266 D C 0.215 176.610 176.300 0.157 0.000 1.122 266 D CA 0.188 54.295 54.000 0.179 0.000 0.850 266 D CB -0.095 40.774 40.800 0.114 0.000 0.921 266 D HN 0.355 nan 8.370 nan 0.000 0.513 267 W N -0.023 121.112 121.300 -0.276 0.000 3.290 267 W HA 0.200 4.860 4.660 0.001 0.000 0.287 267 W C 0.122 175.868 176.519 -1.288 0.000 1.288 267 W CA -0.270 56.616 57.345 -0.765 0.000 1.725 267 W CB -0.147 28.782 29.460 -0.885 0.000 1.103 267 W HN -0.180 nan 8.180 nan 0.000 0.670 268 F N -2.165 117.923 119.950 0.230 0.000 2.894 268 F HA 0.485 5.013 4.527 0.001 0.000 0.332 268 F C -0.771 175.075 175.800 0.077 0.000 1.192 268 F CA -1.993 56.151 58.000 0.241 0.000 0.980 268 F CB 0.361 39.533 39.000 0.286 0.000 1.448 268 F HN -0.522 nan 8.300 nan 0.000 0.514 269 F N 2.310 122.459 119.950 0.332 0.000 2.359 269 F HA 0.526 5.054 4.527 0.001 0.000 0.370 269 F C -0.438 175.492 175.800 0.216 0.000 1.077 269 F CA -0.450 57.676 58.000 0.209 0.000 1.136 269 F CB 0.514 39.598 39.000 0.141 0.000 1.387 269 F HN -0.021 nan 8.300 nan 0.000 0.468 270 I N 2.421 123.151 120.570 0.267 0.000 2.437 270 I HA 0.235 4.405 4.170 0.001 0.000 0.298 270 I C 1.083 177.229 176.117 0.048 0.000 0.984 270 I CA -0.440 60.935 61.300 0.124 0.000 1.214 270 I CB 1.888 39.800 38.000 -0.147 0.000 1.365 270 I HN 0.599 nan 8.210 nan 0.000 0.469 271 E N 3.456 123.673 120.200 0.028 0.000 2.127 271 E HA 0.032 4.382 4.350 0.001 0.000 0.191 271 E C -0.751 175.845 176.600 -0.007 0.000 0.964 271 E CA 0.302 56.720 56.400 0.031 0.000 0.832 271 E CB 0.268 29.994 29.700 0.045 0.000 0.790 271 E HN 0.808 nan 8.360 nan 0.000 0.465 272 D N -0.698 119.649 120.400 -0.088 0.000 2.663 272 D HA 0.332 4.972 4.640 0.001 0.000 0.233 272 D C -1.317 174.879 176.300 -0.172 0.000 1.240 272 D CA -0.651 53.320 54.000 -0.048 0.000 0.774 272 D CB 0.249 41.080 40.800 0.051 0.000 1.443 272 D HN -0.009 nan 8.370 nan 0.000 0.441 273 F N 0.358 120.341 119.950 0.055 0.000 2.432 273 F HA 0.567 5.095 4.527 0.001 0.000 0.329 273 F C -1.291 174.524 175.800 0.025 0.000 1.076 273 F CA -1.455 56.565 58.000 0.033 0.000 1.018 273 F CB 0.706 39.715 39.000 0.015 0.000 1.201 273 F HN 0.189 nan 8.300 nan 0.000 0.489 274 P HA 0.146 nan 4.420 nan 0.000 0.272 274 P C -0.971 176.363 177.300 0.056 0.000 1.230 274 P CA -0.293 62.907 63.100 0.168 0.000 0.788 274 P CB 1.119 32.872 31.700 0.089 0.000 0.949 275 V N 0.950 120.860 119.914 -0.008 0.000 2.284 275 V HA 0.474 4.594 4.120 0.001 0.000 0.260 275 V C 0.464 176.538 176.094 -0.034 0.000 1.084 275 V CA 0.145 62.388 62.300 -0.095 0.000 0.894 275 V CB -0.590 31.056 31.823 -0.295 0.000 1.119 275 V HN 0.914 nan 8.190 nan 0.000 0.484 276 S N 3.973 119.748 115.700 0.124 0.000 2.769 276 S HA 0.536 5.007 4.470 0.001 0.000 0.283 276 S C -1.401 173.280 174.600 0.135 0.000 0.936 276 S CA -0.739 57.566 58.200 0.175 0.000 0.893 276 S CB 1.294 64.530 63.200 0.060 0.000 1.125 276 S HN 0.902 nan 8.310 nan 0.000 0.464 277 K N 1.061 121.543 120.400 0.138 0.000 2.927 277 K HA 0.332 4.653 4.320 0.001 0.000 0.305 277 K C -1.777 174.866 176.600 0.072 0.000 1.129 277 K CA -0.417 55.919 56.287 0.081 0.000 0.898 277 K CB 0.942 33.478 32.500 0.059 0.000 1.401 277 K HN 0.628 nan 8.250 nan 0.000 0.372 278 T N 1.974 116.557 114.554 0.050 0.000 2.767 278 T HA 0.308 4.658 4.350 0.001 0.000 0.288 278 T C 0.486 175.197 174.700 0.018 0.000 0.963 278 T CA 0.587 62.711 62.100 0.039 0.000 1.019 278 T CB 1.173 70.063 68.868 0.037 0.000 0.923 278 T HN 0.809 nan 8.240 nan 0.000 0.468 279 S N 1.596 117.300 115.700 0.007 0.000 2.765 279 S HA -0.184 4.287 4.470 0.001 0.000 0.266 279 S C 0.231 174.817 174.600 -0.023 0.000 1.302 279 S CA 1.437 59.631 58.200 -0.010 0.000 1.274 279 S CB -0.506 62.690 63.200 -0.006 0.000 1.559 279 S HN 0.902 nan 8.310 nan 0.000 0.658 280 R N 1.138 121.626 120.500 -0.020 0.000 2.651 280 R HA 0.681 5.022 4.340 0.001 0.000 0.278 280 R C -0.990 175.281 176.300 -0.047 0.000 1.010 280 R CA 0.445 56.526 56.100 -0.031 0.000 0.896 280 R CB 1.944 32.239 30.300 -0.009 0.000 1.211 280 R HN 0.388 nan 8.270 nan 0.000 0.456 281 T N 0.168 114.662 114.554 -0.100 0.000 2.971 281 T HA 0.322 4.673 4.350 0.001 0.000 0.304 281 T C -0.203 174.420 174.700 -0.127 0.000 1.038 281 T CA -0.950 61.033 62.100 -0.195 0.000 1.007 281 T CB 1.091 69.658 68.868 -0.503 0.000 1.055 281 T HN 0.749 nan 8.240 nan 0.000 0.451 282 N N 1.356 120.071 118.700 0.026 0.000 2.279 282 N HA 0.210 4.951 4.740 0.001 0.000 0.226 282 N C -0.590 175.031 175.510 0.186 0.000 1.126 282 N CA -0.778 52.322 53.050 0.084 0.000 0.846 282 N CB 0.017 38.553 38.487 0.082 0.000 1.050 282 N HN 0.823 nan 8.380 nan 0.000 0.502 283 Y N -2.310 118.011 120.300 0.035 0.000 2.552 283 Y HA 0.446 4.997 4.550 0.001 0.000 0.337 283 Y C -0.674 175.269 175.900 0.071 0.000 1.094 283 Y CA -1.463 56.686 58.100 0.082 0.000 1.028 283 Y CB 0.875 39.413 38.460 0.131 0.000 1.321 283 Y HN -0.162 nan 8.280 nan 0.000 0.456 284 E N 1.801 122.106 120.200 0.175 0.000 2.392 284 E HA 0.394 4.745 4.350 0.001 0.000 0.264 284 E C -0.415 176.180 176.600 -0.008 0.000 1.024 284 E CA 0.316 56.718 56.400 0.003 0.000 0.903 284 E CB 0.863 30.524 29.700 -0.064 0.000 0.963 284 E HN 0.855 nan 8.360 nan 0.000 0.432 285 T N 0.735 115.217 114.554 -0.121 0.000 2.804 285 T HA 0.215 4.565 4.350 0.001 0.000 0.290 285 T C -0.630 174.007 174.700 -0.104 0.000 1.099 285 T CA -0.839 61.208 62.100 -0.089 0.000 1.011 285 T CB 0.320 69.093 68.868 -0.159 0.000 1.291 285 T HN 0.505 nan 8.240 nan 0.000 0.523 286 Y N 1.856 121.994 120.300 -0.270 0.000 2.597 286 Y HA 0.343 4.894 4.550 0.001 0.000 0.336 286 Y C 1.151 176.915 175.900 -0.226 0.000 1.216 286 Y CA 0.810 58.707 58.100 -0.338 0.000 1.463 286 Y CB -0.338 37.703 38.460 -0.697 0.000 1.303 286 Y HN 1.373 nan 8.280 nan 0.000 0.576 287 A N 2.731 125.010 122.820 -0.901 0.000 5.483 287 A HA -0.291 4.029 4.320 0.001 0.000 0.309 287 A C -0.745 176.613 177.584 -0.376 0.000 1.898 287 A CA 1.175 52.771 52.037 -0.735 0.000 0.716 287 A CB -2.040 16.391 19.000 -0.949 0.000 1.309 287 A HN 1.163 nan 8.150 nan 0.000 0.380 288 V N 0.807 120.542 119.914 -0.299 0.000 2.487 288 V HA 0.585 4.706 4.120 0.001 0.000 0.298 288 V C -0.010 175.984 176.094 -0.167 0.000 1.028 288 V CA 0.309 62.489 62.300 -0.199 0.000 0.860 288 V CB 1.472 33.202 31.823 -0.154 0.000 0.991 288 V HN 1.028 nan 8.190 nan 0.000 0.427 289 Q N 2.071 121.774 119.800 -0.161 0.000 2.452 289 Q HA -0.151 4.190 4.340 0.001 0.000 0.318 289 Q C -0.406 175.524 176.000 -0.117 0.000 1.386 289 Q CA 0.401 56.118 55.803 -0.143 0.000 0.872 289 Q CB -0.994 27.681 28.738 -0.105 0.000 1.151 289 Q HN 0.616 nan 8.270 nan 0.000 0.417 290 V N 0.476 120.315 119.914 -0.124 0.000 2.235 290 V HA 0.098 4.219 4.120 0.001 0.000 0.266 290 V C -1.408 174.671 176.094 -0.026 0.000 1.055 290 V CA -1.056 61.214 62.300 -0.050 0.000 0.844 290 V CB 1.334 33.151 31.823 -0.011 0.000 1.097 290 V HN 0.076 nan 8.190 nan 0.000 0.453 291 P HA -0.241 nan 4.420 nan 0.000 0.218 291 P C 1.599 179.042 177.300 0.238 0.000 1.154 291 P CA 1.941 65.119 63.100 0.130 0.000 0.872 291 P CB 0.310 32.100 31.700 0.150 0.000 0.790 292 A N -2.071 120.855 122.820 0.175 0.000 2.216 292 A HA -0.007 4.314 4.320 0.001 0.000 0.214 292 A C 1.324 179.014 177.584 0.176 0.000 1.160 292 A CA 0.983 53.138 52.037 0.196 0.000 0.725 292 A CB -0.942 18.182 19.000 0.206 0.000 0.784 292 A HN 0.176 nan 8.150 nan 0.000 0.472 293 M N 1.247 120.922 119.600 0.126 0.000 2.746 293 M HA 0.216 4.696 4.480 0.001 0.000 0.209 293 M C -2.856 173.489 176.300 0.075 0.000 1.077 293 M CA -1.712 53.647 55.300 0.098 0.000 0.695 293 M CB 1.780 34.339 32.600 -0.068 0.000 1.416 293 M HN -0.048 nan 8.290 nan 0.000 0.459 294 P HA 0.028 nan 4.420 nan 0.000 0.271 294 P C -0.665 176.749 177.300 0.190 0.000 1.233 294 P CA 0.131 63.243 63.100 0.020 0.000 0.764 294 P CB 0.580 31.783 31.700 -0.830 0.000 0.825 295 K N 4.161 124.706 120.400 0.242 0.000 2.436 295 K HA 0.104 4.425 4.320 0.001 0.000 0.275 295 K C -0.422 176.391 176.600 0.354 0.000 0.999 295 K CA -0.238 56.187 56.287 0.229 0.000 0.980 295 K CB 0.124 32.628 32.500 0.006 0.000 0.919 295 K HN 0.447 nan 8.250 nan 0.000 0.484 296 L N 4.078 125.415 121.223 0.190 0.000 2.307 296 L HA 0.328 4.668 4.340 0.001 0.000 0.282 296 L C 0.684 177.607 176.870 0.089 0.000 1.051 296 L CA -0.429 54.432 54.840 0.035 0.000 0.804 296 L CB 1.246 43.216 42.059 -0.148 0.000 1.197 296 L HN 0.607 nan 8.230 nan 0.000 0.431 297 R N 1.099 121.575 120.500 -0.040 0.000 3.266 297 R HA 0.042 4.383 4.340 0.001 0.000 0.224 297 R C 1.026 177.193 176.300 -0.221 0.000 1.525 297 R CA 0.090 56.160 56.100 -0.051 0.000 1.364 297 R CB 0.038 30.121 30.300 -0.362 0.000 1.276 297 R HN 0.829 nan 8.270 nan 0.000 0.660 298 T N -1.144 113.270 114.554 -0.233 0.000 3.052 298 T HA -0.125 4.226 4.350 0.001 0.000 0.270 298 T C 0.989 175.578 174.700 -0.185 0.000 1.147 298 T CA 1.144 63.024 62.100 -0.366 0.000 1.089 298 T CB -0.026 68.387 68.868 -0.758 0.000 0.875 298 T HN 0.593 nan 8.240 nan 0.000 0.541 299 E N 0.882 121.006 120.200 -0.127 0.000 2.299 299 E HA 0.061 4.411 4.350 0.001 0.000 0.193 299 E C 0.736 177.269 176.600 -0.111 0.000 0.998 299 E CA -0.161 56.196 56.400 -0.073 0.000 0.851 299 E CB 0.042 29.724 29.700 -0.029 0.000 0.795 299 E HN 0.390 nan 8.360 nan 0.000 0.492 300 N N 1.255 119.843 118.700 -0.188 0.000 2.470 300 N HA 0.005 4.746 4.740 0.001 0.000 0.268 300 N C -2.018 173.353 175.510 -0.231 0.000 1.136 300 N CA -1.746 51.177 53.050 -0.211 0.000 0.961 300 N CB 1.262 39.568 38.487 -0.301 0.000 1.067 300 N HN -0.225 nan 8.380 nan 0.000 0.468 301 P HA -0.135 nan 4.420 nan 0.000 0.216 301 P C 0.642 177.848 177.300 -0.156 0.000 1.150 301 P CA 1.410 64.436 63.100 -0.123 0.000 0.843 301 P CB 0.429 32.099 31.700 -0.050 0.000 0.787 302 E N -0.905 119.195 120.200 -0.166 0.000 2.028 302 E HA -0.118 4.233 4.350 0.001 0.000 0.191 302 E C 1.973 178.287 176.600 -0.477 0.000 0.988 302 E CA 1.069 57.383 56.400 -0.143 0.000 0.799 302 E CB -0.613 29.145 29.700 0.096 0.000 0.755 302 E HN -0.037 nan 8.360 nan 0.000 0.447 303 V N 1.352 120.760 119.914 -0.843 0.000 2.295 303 V HA -0.300 3.821 4.120 0.001 0.000 0.246 303 V C 2.321 178.095 176.094 -0.533 0.000 1.049 303 V CA 1.959 63.699 62.300 -0.934 0.000 1.024 303 V CB -0.464 30.842 31.823 -0.862 0.000 0.648 303 V HN 0.214 nan 8.190 nan 0.000 0.447 304 K N 0.022 120.142 120.400 -0.468 0.000 2.009 304 K HA -0.291 4.029 4.320 0.001 0.000 0.210 304 K C 2.268 178.383 176.600 -0.807 0.000 1.049 304 K CA 2.109 57.998 56.287 -0.664 0.000 0.929 304 K CB -0.200 31.959 32.500 -0.569 0.000 0.714 304 K HN 0.383 nan 8.250 nan 0.000 0.440 305 E N -0.002 119.976 120.200 -0.371 0.000 2.085 305 E HA -0.225 4.126 4.350 0.001 0.000 0.194 305 E C 1.786 178.359 176.600 -0.046 0.000 0.994 305 E CA 1.471 57.806 56.400 -0.109 0.000 0.801 305 E CB -0.477 29.229 29.700 0.009 0.000 0.743 305 E HN 0.448 nan 8.360 nan 0.000 0.453 306 Y N 0.488 120.686 120.300 -0.170 0.000 2.114 306 Y HA -0.164 4.387 4.550 0.001 0.000 0.284 306 Y C 2.061 177.892 175.900 -0.116 0.000 1.143 306 Y CA 2.106 60.174 58.100 -0.054 0.000 1.135 306 Y CB -0.281 38.163 38.460 -0.028 0.000 0.980 306 Y HN 0.040 nan 8.280 nan 0.000 0.499 307 L N -1.158 119.974 121.223 -0.152 0.000 2.046 307 L HA -0.240 4.100 4.340 0.001 0.000 0.208 307 L C 2.429 179.179 176.870 -0.199 0.000 1.077 307 L CA 1.450 56.049 54.840 -0.400 0.000 0.747 307 L CB -0.857 40.735 42.059 -0.779 0.000 0.896 307 L HN 0.263 nan 8.230 nan 0.000 0.432 308 F N 0.304 120.111 119.950 -0.238 0.000 2.161 308 F HA -0.268 4.260 4.527 0.001 0.000 0.300 308 F C 2.357 178.123 175.800 -0.055 0.000 1.089 308 F CA 0.542 58.464 58.000 -0.131 0.000 1.282 308 F CB -0.197 38.717 39.000 -0.145 0.000 1.010 308 F HN 0.187 nan 8.300 nan 0.000 0.485 309 D N 0.104 120.559 120.400 0.092 0.000 2.144 309 D HA -0.124 4.516 4.640 0.001 0.000 0.200 309 D C 2.333 178.666 176.300 0.055 0.000 0.978 309 D CA 0.898 54.914 54.000 0.028 0.000 0.833 309 D CB -0.355 40.393 40.800 -0.087 0.000 0.961 309 D HN 0.031 nan 8.370 nan 0.000 0.470 310 V N 1.284 121.192 119.914 -0.010 0.000 2.407 310 V HA -0.238 3.883 4.120 0.001 0.000 0.248 310 V C 2.515 178.939 176.094 0.550 0.000 1.055 310 V CA 1.743 64.171 62.300 0.213 0.000 1.049 310 V CB -0.806 31.159 31.823 0.237 0.000 0.662 310 V HN 0.174 nan 8.190 nan 0.000 0.455 311 A N 0.063 123.159 122.820 0.461 0.000 1.902 311 A HA -0.211 4.110 4.320 0.001 0.000 0.217 311 A C 2.401 180.373 177.584 0.646 0.000 1.181 311 A CA 1.707 54.134 52.037 0.650 0.000 0.623 311 A CB -0.467 18.763 19.000 0.382 0.000 0.818 311 A HN 0.510 nan 8.150 nan 0.000 0.443 312 R N -1.883 118.840 120.500 0.371 0.000 2.073 312 R HA -0.139 4.202 4.340 0.001 0.000 0.234 312 R C 2.043 178.489 176.300 0.243 0.000 1.134 312 R CA 1.605 57.859 56.100 0.256 0.000 0.952 312 R CB -0.629 29.761 30.300 0.150 0.000 0.850 312 R HN 0.604 nan 8.270 nan 0.000 0.433 313 F N 0.131 120.132 119.950 0.086 0.000 2.126 313 F HA -0.246 4.282 4.527 0.001 0.000 0.299 313 F C 1.601 177.302 175.800 -0.166 0.000 1.096 313 F CA 1.569 59.497 58.000 -0.119 0.000 1.255 313 F CB -0.211 38.611 39.000 -0.297 0.000 0.997 313 F HN 0.013 nan 8.300 nan 0.000 0.479 314 W N -0.344 121.200 121.300 0.407 0.000 2.518 314 W HA -0.007 4.654 4.660 0.001 0.000 0.273 314 W C 2.351 178.989 176.519 0.199 0.000 1.247 314 W CA 0.506 58.033 57.345 0.304 0.000 1.288 314 W CB -0.286 29.497 29.460 0.539 0.000 1.107 314 W HN -0.058 nan 8.180 nan 0.000 0.586 315 M N -0.105 119.767 119.600 0.453 0.000 2.319 315 M HA -0.143 4.338 4.480 0.001 0.000 0.265 315 M C 1.819 178.203 176.300 0.140 0.000 1.068 315 M CA 1.249 56.723 55.300 0.291 0.000 1.118 315 M CB -0.400 32.394 32.600 0.323 0.000 1.395 315 M HN -0.056 nan 8.290 nan 0.000 0.435 316 E N 0.447 120.675 120.200 0.046 0.000 2.204 316 E HA -0.161 4.190 4.350 0.001 0.000 0.195 316 E C 1.834 178.391 176.600 -0.072 0.000 0.990 316 E CA 0.938 57.304 56.400 -0.056 0.000 0.821 316 E CB -0.044 29.549 29.700 -0.177 0.000 0.750 316 E HN 0.536 nan 8.360 nan 0.000 0.477 317 Q N -0.791 118.977 119.800 -0.053 0.000 2.488 317 Q HA 0.015 4.355 4.340 0.001 0.000 0.211 317 Q C 1.237 177.280 176.000 0.071 0.000 0.967 317 Q CA 0.886 56.708 55.803 0.033 0.000 0.926 317 Q CB 0.443 29.352 28.738 0.285 0.000 0.992 317 Q HN 0.397 nan 8.270 nan 0.000 0.506 318 G N 1.550 110.402 108.800 0.087 0.000 2.144 318 G HA2 -0.241 3.720 3.960 0.001 0.000 0.218 318 G HA3 -0.241 3.720 3.960 0.001 0.000 0.218 318 G C 0.322 175.292 174.900 0.116 0.000 0.988 318 G CA 0.196 45.350 45.100 0.091 0.000 0.659 318 G HN 0.448 nan 8.290 nan 0.000 0.522 319 I N -2.487 118.159 120.570 0.126 0.000 3.060 319 I HA 0.487 4.657 4.170 0.001 0.000 0.285 319 I C 0.596 176.737 176.117 0.041 0.000 1.190 319 I CA -0.144 61.199 61.300 0.073 0.000 1.363 319 I CB 0.545 38.553 38.000 0.014 0.000 1.396 319 I HN -0.099 nan 8.210 nan 0.000 0.607 320 D N 2.230 122.637 120.400 0.012 0.000 2.398 320 D HA 0.332 4.972 4.640 0.001 0.000 0.210 320 D C 0.545 176.920 176.300 0.124 0.000 1.094 320 D CA 0.382 54.383 54.000 0.002 0.000 0.839 320 D CB 1.186 41.869 40.800 -0.195 0.000 0.963 320 D HN 0.908 nan 8.370 nan 0.000 0.506 321 G N 0.225 109.031 108.800 0.009 0.000 2.321 321 G HA2 0.276 4.236 3.960 0.001 0.000 0.298 321 G HA3 0.276 4.236 3.960 0.001 0.000 0.298 321 G C -2.181 172.649 174.900 -0.116 0.000 1.385 321 G CA -1.123 44.023 45.100 0.077 0.000 0.856 321 G HN 0.000 nan 8.290 nan 0.000 0.584 322 W N -0.440 121.001 121.300 0.234 0.000 2.799 322 W HA 0.839 5.500 4.660 0.001 0.000 0.349 322 W C 0.076 176.591 176.519 -0.007 0.000 1.100 322 W CA -0.952 56.494 57.345 0.169 0.000 1.174 322 W CB 1.844 31.451 29.460 0.246 0.000 1.427 322 W HN 0.417 nan 8.180 nan 0.000 0.547 323 R N 2.604 123.226 120.500 0.203 0.000 2.337 323 R HA 0.470 4.811 4.340 0.001 0.000 0.319 323 R C -1.234 174.974 176.300 -0.152 0.000 0.954 323 R CA -0.776 55.265 56.100 -0.098 0.000 0.840 323 R CB 0.482 30.803 30.300 0.035 0.000 1.164 323 R HN 0.664 nan 8.270 nan 0.000 0.472 324 L N 2.922 123.892 121.223 -0.421 0.000 2.305 324 L HA 0.365 4.706 4.340 0.001 0.000 0.281 324 L C 0.639 177.258 176.870 -0.418 0.000 1.085 324 L CA -0.289 54.252 54.840 -0.497 0.000 0.813 324 L CB 0.923 42.434 42.059 -0.914 0.000 1.157 324 L HN 0.280 nan 8.230 nan 0.000 0.436 325 D N 2.035 122.264 120.400 -0.285 0.000 2.168 325 D HA 0.223 4.864 4.640 0.001 0.000 0.246 325 D C 0.410 176.592 176.300 -0.197 0.000 1.050 325 D CA -0.266 53.605 54.000 -0.214 0.000 0.857 325 D CB 2.218 42.959 40.800 -0.099 0.000 1.169 325 D HN 0.361 nan 8.370 nan 0.000 0.453 326 V N 2.856 122.636 119.914 -0.223 0.000 4.935 326 V HA -0.343 3.778 4.120 0.001 0.000 0.273 326 V C 1.748 177.777 176.094 -0.108 0.000 0.517 326 V CA 1.111 63.330 62.300 -0.136 0.000 0.745 326 V CB -2.179 29.665 31.823 0.036 0.000 0.647 326 V HN 0.740 nan 8.190 nan 0.000 1.220 327 A N 1.611 124.296 122.820 -0.226 0.000 1.940 327 A HA -0.207 4.113 4.320 0.001 0.000 0.219 327 A C 1.911 179.506 177.584 0.019 0.000 1.176 327 A CA 1.953 53.948 52.037 -0.071 0.000 0.631 327 A CB -0.464 18.200 19.000 -0.560 0.000 0.814 327 A HN 1.098 nan 8.150 nan 0.000 0.446 328 N N 0.272 118.772 118.700 -0.334 0.000 2.635 328 N HA -0.123 4.618 4.740 0.001 0.000 0.191 328 N C 0.649 176.233 175.510 0.123 0.000 1.155 328 N CA 1.302 54.167 53.050 -0.308 0.000 0.927 328 N CB -0.488 37.670 38.487 -0.549 0.000 0.976 328 N HN 0.679 nan 8.380 nan 0.000 0.448 329 E N -0.270 119.988 120.200 0.096 0.000 2.501 329 E HA 0.122 4.472 4.350 0.001 0.000 0.200 329 E C -0.468 176.161 176.600 0.048 0.000 1.016 329 E CA -0.287 56.170 56.400 0.094 0.000 0.921 329 E CB 0.939 30.672 29.700 0.054 0.000 1.034 329 E HN 0.236 nan 8.360 nan 0.000 0.468 330 V N 1.103 121.059 119.914 0.071 0.000 2.628 330 V HA 0.201 4.322 4.120 0.001 0.000 0.306 330 V C -0.680 175.349 176.094 -0.108 0.000 1.045 330 V CA -1.117 61.072 62.300 -0.185 0.000 0.905 330 V CB 1.638 33.086 31.823 -0.625 0.000 0.997 330 V HN 0.147 nan 8.190 nan 0.000 0.436 331 D N 3.459 123.784 120.400 -0.124 0.000 2.478 331 D HA -0.104 4.536 4.640 0.001 0.000 0.234 331 D C 0.598 176.968 176.300 0.117 0.000 1.154 331 D CA 0.491 54.526 54.000 0.059 0.000 0.874 331 D CB 0.650 41.484 40.800 0.057 0.000 1.198 331 D HN 0.780 nan 8.370 nan 0.000 0.455 332 H N 1.455 120.636 119.070 0.185 0.000 2.387 332 H HA -0.023 4.533 4.556 0.001 0.000 0.299 332 H C 2.171 177.632 175.328 0.221 0.000 1.090 332 H CA 2.243 58.438 56.048 0.245 0.000 1.332 332 H CB -0.232 29.584 29.762 0.089 0.000 1.386 332 H HN 0.661 nan 8.280 nan 0.000 0.516 333 A N 0.494 123.474 122.820 0.266 0.000 1.917 333 A HA -0.244 4.076 4.320 0.001 0.000 0.219 333 A C 2.183 179.909 177.584 0.236 0.000 1.182 333 A CA 1.753 53.910 52.037 0.199 0.000 0.633 333 A CB -1.083 17.996 19.000 0.132 0.000 0.819 333 A HN 0.468 nan 8.150 nan 0.000 0.448 334 F N -0.960 118.994 119.950 0.007 0.000 2.069 334 F HA -0.196 4.332 4.527 0.001 0.000 0.298 334 F C 2.105 177.979 175.800 0.124 0.000 1.113 334 F CA 1.834 59.791 58.000 -0.072 0.000 1.214 334 F CB -0.535 38.184 39.000 -0.467 0.000 0.978 334 F HN 0.430 nan 8.300 nan 0.000 0.474 335 W N 0.349 121.987 121.300 0.562 0.000 2.363 335 W HA -0.116 4.544 4.660 0.001 0.000 0.296 335 W C 2.697 179.426 176.519 0.351 0.000 1.212 335 W CA 0.723 58.364 57.345 0.493 0.000 1.260 335 W CB -0.390 29.310 29.460 0.401 0.000 1.131 335 W HN -0.155 nan 8.180 nan 0.000 0.530 336 R N 0.498 121.276 120.500 0.463 0.000 2.091 336 R HA -0.169 4.172 4.340 0.001 0.000 0.238 336 R C 1.883 178.305 176.300 0.203 0.000 1.136 336 R CA 1.774 58.039 56.100 0.276 0.000 0.959 336 R CB -0.391 30.020 30.300 0.186 0.000 0.856 336 R HN 0.308 nan 8.270 nan 0.000 0.437 337 E N -0.529 119.781 120.200 0.184 0.000 2.107 337 E HA -0.170 4.181 4.350 0.001 0.000 0.191 337 E C 1.631 178.134 176.600 -0.161 0.000 0.982 337 E CA 0.759 57.181 56.400 0.036 0.000 0.809 337 E CB -0.092 29.675 29.700 0.112 0.000 0.756 337 E HN 0.211 nan 8.360 nan 0.000 0.459 338 F N 2.018 121.855 119.950 -0.187 0.000 2.102 338 F HA -0.176 4.352 4.527 0.001 0.000 0.298 338 F C 2.392 178.150 175.800 -0.070 0.000 1.105 338 F CA 1.591 59.432 58.000 -0.264 0.000 1.239 338 F CB -0.028 39.132 39.000 0.266 0.000 0.991 338 F HN -0.213 nan 8.300 nan 0.000 0.474 339 R N 0.321 120.937 120.500 0.193 0.000 2.081 339 R HA -0.155 4.185 4.340 0.001 0.000 0.235 339 R C 2.509 178.772 176.300 -0.063 0.000 1.131 339 R CA 1.459 57.604 56.100 0.075 0.000 0.960 339 R CB -0.263 30.149 30.300 0.186 0.000 0.856 339 R HN 0.240 nan 8.270 nan 0.000 0.436 340 R N 0.400 120.859 120.500 -0.069 0.000 2.083 340 R HA -0.179 4.161 4.340 0.001 0.000 0.237 340 R C 2.403 178.603 176.300 -0.166 0.000 1.137 340 R CA 1.555 57.598 56.100 -0.094 0.000 0.951 340 R CB -0.720 29.530 30.300 -0.084 0.000 0.851 340 R HN 0.233 nan 8.270 nan 0.000 0.434 341 L N 0.940 121.977 121.223 -0.309 0.000 1.955 341 L HA -0.194 4.147 4.340 0.001 0.000 0.213 341 L C 2.283 179.005 176.870 -0.246 0.000 1.072 341 L CA 1.727 56.359 54.840 -0.346 0.000 0.755 341 L CB -0.741 40.946 42.059 -0.620 0.000 0.888 341 L HN -0.098 nan 8.230 nan 0.000 0.432 342 V N 0.100 119.805 119.914 -0.348 0.000 2.252 342 V HA -0.326 3.794 4.120 0.001 0.000 0.249 342 V C 2.739 178.805 176.094 -0.046 0.000 1.056 342 V CA 2.124 64.308 62.300 -0.195 0.000 1.022 342 V CB -0.863 30.770 31.823 -0.316 0.000 0.641 342 V HN 0.456 nan 8.190 nan 0.000 0.445 343 K N 0.667 121.041 120.400 -0.045 0.000 2.211 343 K HA -0.073 4.248 4.320 0.001 0.000 0.203 343 K C 2.423 179.030 176.600 0.011 0.000 1.050 343 K CA 1.587 57.882 56.287 0.015 0.000 0.945 343 K CB -0.677 31.838 32.500 0.024 0.000 0.732 343 K HN 0.712 nan 8.250 nan 0.000 0.451 344 S N 0.331 116.020 115.700 -0.019 0.000 2.406 344 S HA -0.050 4.421 4.470 0.001 0.000 0.228 344 S C 2.013 176.615 174.600 0.003 0.000 1.020 344 S CA 0.495 58.689 58.200 -0.010 0.000 0.965 344 S CB -0.236 62.945 63.200 -0.031 0.000 0.798 344 S HN 0.045 nan 8.310 nan 0.000 0.488 345 L N 1.697 122.923 121.223 0.005 0.000 2.131 345 L HA 0.314 4.655 4.340 0.001 0.000 0.206 345 L C 0.994 177.891 176.870 0.044 0.000 1.087 345 L CA 1.107 55.964 54.840 0.027 0.000 0.767 345 L CB -0.537 41.549 42.059 0.045 0.000 0.917 345 L HN 0.527 nan 8.230 nan 0.000 0.441 346 N N -1.585 117.149 118.700 0.058 0.000 2.599 346 N HA 0.155 4.896 4.740 0.001 0.000 0.283 346 N C -2.302 173.263 175.510 0.091 0.000 1.160 346 N CA -1.063 52.031 53.050 0.074 0.000 0.869 346 N CB 1.791 40.334 38.487 0.093 0.000 1.448 346 N HN -0.253 nan 8.380 nan 0.000 0.535 347 P HA -0.087 nan 4.420 nan 0.000 0.221 347 P C -0.152 177.228 177.300 0.133 0.000 1.145 347 P CA 1.103 64.257 63.100 0.089 0.000 0.795 347 P CB 0.227 31.970 31.700 0.072 0.000 0.775 348 D N -1.155 119.351 120.400 0.178 0.000 2.342 348 D HA 0.166 4.806 4.640 0.001 0.000 0.221 348 D C 0.507 177.065 176.300 0.430 0.000 1.101 348 D CA 0.008 54.199 54.000 0.318 0.000 0.837 348 D CB 0.284 41.294 40.800 0.351 0.000 0.938 348 D HN 0.103 nan 8.370 nan 0.000 0.508 349 A N 1.070 124.057 122.820 0.279 0.000 2.401 349 A HA 0.325 4.645 4.320 0.001 0.000 0.259 349 A C -0.187 177.591 177.584 0.322 0.000 1.103 349 A CA -0.278 51.934 52.037 0.292 0.000 0.789 349 A CB 0.626 19.757 19.000 0.219 0.000 1.035 349 A HN 0.169 nan 8.150 nan 0.000 0.491 350 L N 2.728 124.187 121.223 0.394 0.000 2.325 350 L HA 0.626 4.967 4.340 0.001 0.000 0.279 350 L C -0.482 176.549 176.870 0.268 0.000 1.054 350 L CA -0.119 54.903 54.840 0.304 0.000 0.804 350 L CB 1.152 43.435 42.059 0.373 0.000 1.200 350 L HN 0.588 nan 8.230 nan 0.000 0.436 351 I N 5.435 126.103 120.570 0.163 0.000 2.466 351 I HA 0.342 4.512 4.170 0.001 0.000 0.279 351 I C -1.104 174.921 176.117 -0.154 0.000 1.033 351 I CA -0.626 60.734 61.300 0.100 0.000 1.123 351 I CB 1.541 39.651 38.000 0.183 0.000 1.237 351 I HN 0.175 nan 8.210 nan 0.000 0.460 352 V N 4.932 124.639 119.914 -0.346 0.000 2.417 352 V HA 0.696 4.816 4.120 0.001 0.000 0.291 352 V C 0.624 176.213 176.094 -0.841 0.000 1.024 352 V CA -0.448 61.464 62.300 -0.647 0.000 0.861 352 V CB 1.579 32.766 31.823 -1.060 0.000 0.985 352 V HN 0.808 nan 8.190 nan 0.000 0.436 353 G N 2.542 110.777 108.800 -0.942 0.000 2.509 353 G HA2 0.656 4.616 3.960 0.001 0.000 0.328 353 G HA3 0.656 4.616 3.960 0.001 0.000 0.328 353 G C -0.986 173.475 174.900 -0.732 0.000 1.194 353 G CA -0.426 44.011 45.100 -1.104 0.000 0.967 353 G HN 0.661 nan 8.290 nan 0.000 0.488 354 E N 0.339 120.101 120.200 -0.729 0.000 2.255 354 E HA 0.347 4.698 4.350 0.001 0.000 0.245 354 E C -0.828 175.206 176.600 -0.945 0.000 0.909 354 E CA -0.521 55.407 56.400 -0.787 0.000 0.747 354 E CB 0.668 29.899 29.700 -0.781 0.000 1.215 354 E HN 0.182 nan 8.360 nan 0.000 0.424 355 I N 3.570 123.667 120.570 -0.790 0.000 2.436 355 I HA 0.187 4.358 4.170 0.001 0.000 0.289 355 I C -0.062 175.795 176.117 -0.434 0.000 1.010 355 I CA -0.648 60.203 61.300 -0.749 0.000 1.098 355 I CB 1.033 38.584 38.000 -0.747 0.000 1.266 355 I HN 0.704 nan 8.210 nan 0.000 0.434 356 W N 5.978 127.061 121.300 -0.362 0.000 3.285 356 W HA 0.163 4.823 4.660 0.001 0.000 0.426 356 W C 0.368 176.717 176.519 -0.283 0.000 0.957 356 W CA -0.428 56.597 57.345 -0.532 0.000 1.932 356 W CB -0.088 29.155 29.460 -0.362 0.000 0.961 356 W HN 0.711 nan 8.180 nan 0.000 0.832 357 H N -4.037 115.162 119.070 0.215 0.000 2.904 357 H HA 0.073 4.630 4.556 0.001 0.000 0.290 357 H C -0.752 174.854 175.328 0.462 0.000 1.437 357 H CA -1.345 54.924 56.048 0.368 0.000 1.147 357 H CB 0.091 30.003 29.762 0.249 0.000 1.824 357 H HN -0.251 nan 8.280 nan 0.000 0.505 358 D N 0.363 121.134 120.400 0.619 0.000 2.661 358 D HA 0.016 4.656 4.640 0.001 0.000 0.244 358 D C 0.509 177.163 176.300 0.590 0.000 1.196 358 D CA 1.058 55.395 54.000 0.562 0.000 0.881 358 D CB 0.319 41.371 40.800 0.420 0.000 1.141 358 D HN 0.756 nan 8.370 nan 0.000 0.530 359 A N 3.328 126.480 122.820 0.553 0.000 2.462 359 A HA 0.086 4.407 4.320 0.001 0.000 0.261 359 A C 1.926 179.738 177.584 0.381 0.000 1.323 359 A CA 0.376 52.694 52.037 0.468 0.000 0.913 359 A CB -0.263 18.791 19.000 0.091 0.000 1.028 359 A HN 0.568 nan 8.150 nan 0.000 0.511 360 S N -0.361 115.628 115.700 0.482 0.000 2.374 360 S HA -0.165 4.306 4.470 0.001 0.000 0.227 360 S C 1.966 176.637 174.600 0.118 0.000 1.037 360 S CA 1.557 59.971 58.200 0.356 0.000 1.024 360 S CB -1.102 62.314 63.200 0.361 0.000 0.861 360 S HN 0.762 nan 8.310 nan 0.000 0.456 361 G N -0.307 108.475 108.800 -0.030 0.000 2.501 361 G HA2 -0.128 3.832 3.960 0.001 0.000 0.220 361 G HA3 -0.128 3.832 3.960 0.001 0.000 0.220 361 G C 0.999 175.658 174.900 -0.401 0.000 1.114 361 G CA 0.597 45.502 45.100 -0.326 0.000 0.757 361 G HN 0.643 nan 8.290 nan 0.000 0.559 362 W N -0.664 120.562 121.300 -0.124 0.000 3.058 362 W HA 0.404 5.064 4.660 0.001 0.000 0.306 362 W C 0.689 176.986 176.519 -0.369 0.000 1.188 362 W CA -0.270 56.822 57.345 -0.421 0.000 1.651 362 W CB 0.287 29.252 29.460 -0.825 0.000 1.051 362 W HN 0.045 nan 8.180 nan 0.000 0.592 363 L N 0.901 122.122 121.223 -0.003 0.000 3.108 363 L HA 0.176 4.517 4.340 0.001 0.000 0.251 363 L C 1.512 178.474 176.870 0.154 0.000 1.315 363 L CA -0.185 54.684 54.840 0.048 0.000 1.048 363 L CB -0.095 41.926 42.059 -0.064 0.000 1.432 363 L HN -0.227 nan 8.230 nan 0.000 0.543 364 M N -0.446 119.119 119.600 -0.059 0.000 2.510 364 M HA 0.274 4.755 4.480 0.001 0.000 0.256 364 M C 1.558 177.615 176.300 -0.404 0.000 1.132 364 M CA 0.853 56.115 55.300 -0.063 0.000 1.105 364 M CB 0.128 32.699 32.600 -0.049 0.000 1.375 364 M HN 0.489 nan 8.290 nan 0.000 0.477 365 G N 1.104 109.275 108.800 -1.049 0.000 2.296 365 G HA2 -0.185 3.775 3.960 0.001 0.000 0.188 365 G HA3 -0.185 3.775 3.960 0.001 0.000 0.188 365 G C 0.262 174.780 174.900 -0.637 0.000 1.000 365 G CA 0.331 44.493 45.100 -1.562 0.000 0.672 365 G HN 0.497 nan 8.290 nan 0.000 0.483 366 D N -0.144 120.046 120.400 -0.350 0.000 2.369 366 D HA 0.299 4.940 4.640 0.001 0.000 0.211 366 D C 1.357 177.630 176.300 -0.044 0.000 1.077 366 D CA 0.595 54.511 54.000 -0.141 0.000 0.842 366 D CB 0.271 41.030 40.800 -0.069 0.000 0.947 366 D HN 0.517 nan 8.370 nan 0.000 0.509 367 Q N -0.791 118.958 119.800 -0.085 0.000 1.915 367 Q HA 0.349 4.690 4.340 0.001 0.000 0.153 367 Q C -0.086 176.048 176.000 0.224 0.000 0.480 367 Q CA -0.353 55.482 55.803 0.053 0.000 0.723 367 Q CB 0.865 29.517 28.738 -0.143 0.000 0.940 367 Q HN 0.107 nan 8.270 nan 0.000 0.357 368 F N 1.229 121.152 119.950 -0.045 0.000 2.380 368 F HA 0.207 4.734 4.527 0.001 0.000 0.321 368 F C 0.912 176.705 175.800 -0.012 0.000 1.103 368 F CA -0.928 57.019 58.000 -0.089 0.000 1.067 368 F CB 0.770 39.644 39.000 -0.210 0.000 1.265 368 F HN 0.248 nan 8.300 nan 0.000 0.517 369 D N -0.234 120.299 120.400 0.223 0.000 2.240 369 D HA 0.022 4.663 4.640 0.001 0.000 0.206 369 D C 0.418 176.808 176.300 0.151 0.000 0.963 369 D CA 0.969 55.103 54.000 0.224 0.000 0.863 369 D CB 0.520 41.386 40.800 0.111 0.000 0.973 369 D HN 0.477 nan 8.370 nan 0.000 0.501 370 S N -1.134 114.576 115.700 0.017 0.000 2.660 370 S HA 0.477 4.948 4.470 0.001 0.000 0.264 370 S C -0.888 173.579 174.600 -0.223 0.000 1.131 370 S CA -0.736 57.404 58.200 -0.099 0.000 0.846 370 S CB 1.531 64.644 63.200 -0.146 0.000 1.151 370 S HN -0.009 nan 8.310 nan 0.000 0.486 371 V N -2.380 117.378 119.914 -0.259 0.000 3.165 371 V HA 0.725 4.845 4.120 0.001 0.000 0.309 371 V C -0.647 175.296 176.094 -0.253 0.000 1.267 371 V CA -1.445 60.665 62.300 -0.316 0.000 1.067 371 V CB 1.569 33.266 31.823 -0.209 0.000 1.082 371 V HN 0.960 nan 8.190 nan 0.000 0.451 372 M N 2.992 122.481 119.600 -0.185 0.000 2.217 372 M HA 0.307 4.788 4.480 0.001 0.000 0.352 372 M C 0.078 176.519 176.300 0.235 0.000 1.376 372 M CA 0.239 55.569 55.300 0.051 0.000 1.107 372 M CB -0.461 32.243 32.600 0.175 0.000 1.723 372 M HN 0.874 nan 8.290 nan 0.000 0.461 373 N N 3.554 122.382 118.700 0.214 0.000 3.124 373 N HA 0.014 4.754 4.740 0.001 0.000 0.284 373 N C 0.638 176.319 175.510 0.285 0.000 1.209 373 N CA -0.139 53.038 53.050 0.212 0.000 1.149 373 N CB -0.263 38.305 38.487 0.136 0.000 1.434 373 N HN 0.522 nan 8.380 nan 0.000 0.529 374 Y N 0.360 120.823 120.300 0.271 0.000 2.333 374 Y HA -0.094 4.457 4.550 0.001 0.000 0.290 374 Y C 1.251 177.249 175.900 0.163 0.000 1.144 374 Y CA 0.474 58.687 58.100 0.189 0.000 1.228 374 Y CB -0.115 38.411 38.460 0.111 0.000 0.985 374 Y HN 0.150 nan 8.280 nan 0.000 0.542 375 L N 0.283 121.208 121.223 -0.496 0.000 2.046 375 L HA -0.155 4.186 4.340 0.001 0.000 0.208 375 L C 2.419 179.269 176.870 -0.032 0.000 1.077 375 L CA 1.437 56.057 54.840 -0.367 0.000 0.747 375 L CB -1.815 40.004 42.059 -0.399 0.000 0.896 375 L HN 0.480 nan 8.230 nan 0.000 0.432 376 F N 0.846 120.766 119.950 -0.050 0.000 2.095 376 F HA -0.292 4.235 4.527 0.001 0.000 0.298 376 F C 2.835 178.685 175.800 0.083 0.000 1.104 376 F CA 2.039 60.064 58.000 0.041 0.000 1.232 376 F CB -0.202 38.859 39.000 0.101 0.000 0.987 376 F HN 0.025 nan 8.300 nan 0.000 0.475 377 R N 0.435 121.053 120.500 0.197 0.000 2.066 377 R HA -0.163 4.177 4.340 0.001 0.000 0.232 377 R C 2.262 178.573 176.300 0.019 0.000 1.131 377 R CA 1.958 58.100 56.100 0.070 0.000 0.955 377 R CB -0.525 29.890 30.300 0.192 0.000 0.851 377 R HN 0.413 nan 8.270 nan 0.000 0.432 378 E N -0.169 120.059 120.200 0.046 0.000 2.070 378 E HA -0.202 4.149 4.350 0.001 0.000 0.197 378 E C 1.987 178.594 176.600 0.011 0.000 1.004 378 E CA 2.007 58.428 56.400 0.036 0.000 0.805 378 E CB 0.002 29.727 29.700 0.041 0.000 0.744 378 E HN 0.337 nan 8.360 nan 0.000 0.451 379 S N -0.084 115.594 115.700 -0.037 0.000 2.383 379 S HA -0.103 4.367 4.470 0.001 0.000 0.227 379 S C 2.098 176.774 174.600 0.126 0.000 1.026 379 S CA 0.786 58.978 58.200 -0.013 0.000 0.981 379 S CB 0.020 63.112 63.200 -0.181 0.000 0.818 379 S HN 0.061 nan 8.310 nan 0.000 0.472 380 V N 2.052 121.974 119.914 0.013 0.000 2.488 380 V HA -0.063 4.057 4.120 0.001 0.000 0.246 380 V C 2.158 178.433 176.094 0.301 0.000 1.046 380 V CA 0.977 63.359 62.300 0.136 0.000 1.053 380 V CB -0.498 31.169 31.823 -0.260 0.000 0.679 380 V HN 0.410 nan 8.190 nan 0.000 0.458 381 I N 0.293 121.016 120.570 0.254 0.000 2.142 381 I HA -0.218 3.953 4.170 0.001 0.000 0.240 381 I C 2.620 178.820 176.117 0.138 0.000 1.078 381 I CA 1.814 63.306 61.300 0.320 0.000 1.343 381 I CB -0.878 37.243 38.000 0.202 0.000 1.046 381 I HN 0.284 nan 8.210 nan 0.000 0.405 382 R N -0.717 119.831 120.500 0.079 0.000 2.189 382 R HA -0.161 4.180 4.340 0.001 0.000 0.223 382 R C 2.072 178.370 176.300 -0.003 0.000 1.092 382 R CA 0.990 57.103 56.100 0.021 0.000 0.989 382 R CB -0.216 30.090 30.300 0.010 0.000 0.876 382 R HN 0.232 nan 8.270 nan 0.000 0.457 383 F N -0.476 119.315 119.950 -0.264 0.000 2.188 383 F HA 0.068 4.595 4.527 0.001 0.000 0.289 383 F C 1.279 176.707 175.800 -0.620 0.000 1.082 383 F CA 0.986 58.620 58.000 -0.610 0.000 1.282 383 F CB -0.155 38.084 39.000 -1.268 0.000 1.060 383 F HN -0.178 nan 8.300 nan 0.000 0.493 384 F N -0.258 119.462 119.950 -0.385 0.000 2.317 384 F HA 0.236 4.764 4.527 0.001 0.000 0.293 384 F C 2.344 177.980 175.800 -0.273 0.000 1.085 384 F CA 0.806 58.564 58.000 -0.404 0.000 1.390 384 F CB -1.004 37.887 39.000 -0.181 0.000 1.077 384 F HN 0.040 nan 8.300 nan 0.000 0.517 385 A N 0.171 122.975 122.820 -0.026 0.000 1.859 385 A HA -0.063 4.258 4.320 0.001 0.000 0.212 385 A C 2.188 179.680 177.584 -0.153 0.000 1.238 385 A CA 1.811 53.732 52.037 -0.194 0.000 0.613 385 A CB -1.277 17.507 19.000 -0.361 0.000 0.904 385 A HN 0.312 nan 8.150 nan 0.000 0.457 386 T N -4.191 110.300 114.554 -0.105 0.000 3.051 386 T HA 0.367 4.718 4.350 0.001 0.000 0.255 386 T C 1.436 176.090 174.700 -0.077 0.000 1.085 386 T CA 1.208 63.259 62.100 -0.083 0.000 1.109 386 T CB -0.137 68.698 68.868 -0.056 0.000 0.921 386 T HN 1.780 nan 8.240 nan 0.000 0.488 387 G N 1.792 110.533 108.800 -0.098 0.000 2.225 387 G HA2 -0.296 3.664 3.960 0.001 0.000 0.267 387 G HA3 -0.296 3.664 3.960 0.001 0.000 0.267 387 G C 0.472 175.347 174.900 -0.042 0.000 1.024 387 G CA 0.547 45.589 45.100 -0.096 0.000 0.784 387 G HN 0.631 nan 8.290 nan 0.000 0.507 388 E N -0.770 119.410 120.200 -0.032 0.000 2.347 388 E HA 0.148 4.499 4.350 0.001 0.000 0.196 388 E C 1.494 178.087 176.600 -0.010 0.000 1.008 388 E CA 0.995 57.385 56.400 -0.017 0.000 0.852 388 E CB 0.107 29.795 29.700 -0.020 0.000 0.783 388 E HN 0.929 nan 8.360 nan 0.000 0.505 389 I N -1.785 118.777 120.570 -0.014 0.000 2.785 389 I HA 0.361 4.532 4.170 0.001 0.000 0.302 389 I C 0.149 176.275 176.117 0.015 0.000 1.069 389 I CA -1.233 60.031 61.300 -0.061 0.000 1.045 389 I CB 1.707 39.633 38.000 -0.124 0.000 1.236 389 I HN -0.150 nan 8.210 nan 0.000 0.429 390 H N 3.395 122.485 119.070 0.033 0.000 2.530 390 H HA 0.585 5.142 4.556 0.001 0.000 0.342 390 H C 0.861 176.204 175.328 0.024 0.000 1.312 390 H CA -0.405 55.686 56.048 0.073 0.000 1.376 390 H CB 1.315 31.093 29.762 0.028 0.000 1.692 390 H HN 0.808 nan 8.280 nan 0.000 0.622 391 A N 0.568 123.556 122.820 0.281 0.000 1.917 391 A HA -0.217 4.104 4.320 0.001 0.000 0.219 391 A C 2.109 179.658 177.584 -0.058 0.000 1.182 391 A CA 1.931 53.989 52.037 0.035 0.000 0.633 391 A CB -0.826 18.319 19.000 0.242 0.000 0.819 391 A HN 0.856 nan 8.150 nan 0.000 0.448 392 E N -1.212 119.107 120.200 0.199 0.000 2.150 392 E HA -0.189 4.162 4.350 0.001 0.000 0.193 392 E C 2.266 178.782 176.600 -0.140 0.000 0.985 392 E CA 1.131 57.579 56.400 0.080 0.000 0.814 392 E CB -0.108 29.724 29.700 0.220 0.000 0.752 392 E HN 0.539 nan 8.360 nan 0.000 0.466 393 R N 1.014 121.274 120.500 -0.400 0.000 2.066 393 R HA -0.127 4.214 4.340 0.001 0.000 0.232 393 R C 1.966 178.040 176.300 -0.376 0.000 1.131 393 R CA 1.223 57.062 56.100 -0.434 0.000 0.955 393 R CB -0.919 28.988 30.300 -0.655 0.000 0.851 393 R HN 0.180 nan 8.270 nan 0.000 0.432 394 F N 1.188 120.730 119.950 -0.680 0.000 2.120 394 F HA -0.282 4.245 4.527 0.001 0.000 0.300 394 F C 1.902 177.206 175.800 -0.826 0.000 1.095 394 F CA 2.200 59.660 58.000 -0.899 0.000 1.249 394 F CB -0.399 37.601 39.000 -1.666 0.000 0.995 394 F HN 0.251 nan 8.300 nan 0.000 0.480 395 D N 0.386 120.289 120.400 -0.828 0.000 2.123 395 D HA -0.200 4.441 4.640 0.001 0.000 0.196 395 D C 2.149 178.206 176.300 -0.406 0.000 0.992 395 D CA 1.565 55.125 54.000 -0.733 0.000 0.833 395 D CB -0.375 40.227 40.800 -0.331 0.000 0.954 395 D HN 0.357 nan 8.370 nan 0.000 0.455 396 A N 0.693 123.336 122.820 -0.294 0.000 1.855 396 A HA -0.152 4.169 4.320 0.001 0.000 0.215 396 A C 2.142 179.610 177.584 -0.194 0.000 1.191 396 A CA 1.569 53.507 52.037 -0.165 0.000 0.613 396 A CB -0.673 18.258 19.000 -0.115 0.000 0.829 396 A HN 0.309 nan 8.150 nan 0.000 0.442 397 E N -0.437 119.602 120.200 -0.269 0.000 2.070 397 E HA -0.242 4.109 4.350 0.001 0.000 0.197 397 E C 1.926 178.365 176.600 -0.268 0.000 1.004 397 E CA 1.387 57.641 56.400 -0.243 0.000 0.805 397 E CB -0.405 29.135 29.700 -0.268 0.000 0.744 397 E HN 0.411 nan 8.360 nan 0.000 0.451 398 L N 0.858 121.828 121.223 -0.422 0.000 1.994 398 L HA -0.162 4.178 4.340 0.001 0.000 0.208 398 L C 2.553 179.337 176.870 -0.143 0.000 1.071 398 L CA 1.918 56.563 54.840 -0.325 0.000 0.745 398 L CB -1.170 40.564 42.059 -0.542 0.000 0.892 398 L HN 0.104 nan 8.230 nan 0.000 0.431 399 T N -1.123 113.346 114.554 -0.142 0.000 2.684 399 T HA -0.273 4.077 4.350 0.001 0.000 0.267 399 T C 1.996 176.602 174.700 -0.157 0.000 1.036 399 T CA 1.596 63.636 62.100 -0.100 0.000 1.148 399 T CB -0.282 68.569 68.868 -0.028 0.000 0.863 399 T HN 0.239 nan 8.240 nan 0.000 0.436 400 R N 1.288 121.739 120.500 -0.081 0.000 2.103 400 R HA -0.140 4.201 4.340 0.001 0.000 0.242 400 R C 2.501 178.704 176.300 -0.161 0.000 1.142 400 R CA 1.693 57.763 56.100 -0.049 0.000 0.960 400 R CB -0.548 29.762 30.300 0.017 0.000 0.858 400 R HN 0.387 nan 8.270 nan 0.000 0.439 401 A N 1.071 123.800 122.820 -0.152 0.000 1.877 401 A HA -0.151 4.170 4.320 0.001 0.000 0.216 401 A C 2.156 179.617 177.584 -0.206 0.000 1.186 401 A CA 1.540 53.476 52.037 -0.169 0.000 0.620 401 A CB -0.479 18.463 19.000 -0.097 0.000 0.822 401 A HN 0.427 nan 8.150 nan 0.000 0.443 402 R N -0.795 119.603 120.500 -0.170 0.000 2.091 402 R HA -0.090 4.251 4.340 0.001 0.000 0.238 402 R C 1.493 177.634 176.300 -0.266 0.000 1.136 402 R CA 1.523 57.517 56.100 -0.177 0.000 0.959 402 R CB -0.440 29.770 30.300 -0.151 0.000 0.856 402 R HN 0.421 nan 8.270 nan 0.000 0.437 403 M N 0.538 119.898 119.600 -0.399 0.000 2.682 403 M HA 0.004 4.485 4.480 0.001 0.000 0.235 403 M C 1.483 177.533 176.300 -0.416 0.000 1.114 403 M CA 0.454 55.460 55.300 -0.490 0.000 1.053 403 M CB -0.394 31.650 32.600 -0.927 0.000 1.599 403 M HN 0.087 nan 8.290 nan 0.000 0.520 404 L N -0.679 120.267 121.223 -0.463 0.000 2.072 404 L HA -0.010 4.330 4.340 0.001 0.000 0.205 404 L C 0.275 176.711 176.870 -0.724 0.000 1.079 404 L CA 1.565 55.986 54.840 -0.698 0.000 0.752 404 L CB -0.265 41.131 42.059 -1.104 0.000 0.906 404 L HN 0.199 nan 8.230 nan 0.000 0.436 405 Y N -3.119 117.121 120.300 -0.099 0.000 2.705 405 Y HA 0.524 5.074 4.550 0.001 0.000 0.332 405 Y C -2.228 173.546 175.900 -0.211 0.000 1.157 405 Y CA -3.075 54.960 58.100 -0.108 0.000 1.091 405 Y CB -0.332 38.095 38.460 -0.054 0.000 1.301 405 Y HN -0.298 nan 8.280 nan 0.000 0.488 406 P HA 0.039 nan 4.420 nan 0.000 0.269 406 P C 0.392 177.456 177.300 -0.394 0.000 1.209 406 P CA 0.025 62.778 63.100 -0.578 0.000 0.776 406 P CB 0.659 31.791 31.700 -0.947 0.000 0.876 407 E N 1.807 121.845 120.200 -0.269 0.000 2.130 407 E HA -0.329 4.021 4.350 0.001 0.000 0.196 407 E C 1.081 177.491 176.600 -0.317 0.000 0.998 407 E CA 1.430 57.717 56.400 -0.190 0.000 0.806 407 E CB -0.567 29.104 29.700 -0.049 0.000 0.738 407 E HN 0.406 nan 8.360 nan 0.000 0.459 408 Q N 0.855 120.350 119.800 -0.508 0.000 2.181 408 Q HA -0.079 4.262 4.340 0.001 0.000 0.205 408 Q C 2.076 177.640 176.000 -0.726 0.000 0.980 408 Q CA 2.091 57.493 55.803 -0.667 0.000 0.862 408 Q CB -0.247 27.866 28.738 -1.041 0.000 0.905 408 Q HN 0.501 nan 8.270 nan 0.000 0.429 409 A N 0.155 122.523 122.820 -0.755 0.000 1.861 409 A HA 0.175 4.496 4.320 0.001 0.000 0.212 409 A C 2.236 179.690 177.584 -0.217 0.000 1.199 409 A CA 1.029 52.815 52.037 -0.419 0.000 0.613 409 A CB -0.971 17.871 19.000 -0.263 0.000 0.846 409 A HN 0.337 nan 8.150 nan 0.000 0.446 410 A N -0.410 122.314 122.820 -0.160 0.000 1.948 410 A HA -0.270 4.050 4.320 0.001 0.000 0.220 410 A C 2.182 179.677 177.584 -0.148 0.000 1.177 410 A CA 2.025 54.005 52.037 -0.095 0.000 0.636 410 A CB -0.566 18.375 19.000 -0.098 0.000 0.815 410 A HN 0.587 nan 8.150 nan 0.000 0.449 411 Q N 0.042 119.730 119.800 -0.187 0.000 2.224 411 Q HA -0.094 4.247 4.340 0.001 0.000 0.203 411 Q C 1.563 177.467 176.000 -0.160 0.000 0.970 411 Q CA 1.844 57.538 55.803 -0.183 0.000 0.865 411 Q CB -0.497 28.131 28.738 -0.184 0.000 0.922 411 Q HN 0.509 nan 8.270 nan 0.000 0.445 412 G N 0.655 109.365 108.800 -0.149 0.000 3.393 412 G HA2 0.257 4.218 3.960 0.001 0.000 0.255 412 G HA3 0.257 4.218 3.960 0.001 0.000 0.255 412 G C -0.111 174.785 174.900 -0.007 0.000 1.097 412 G CA -0.445 44.600 45.100 -0.091 0.000 0.780 412 G HN 0.130 nan 8.290 nan 0.000 0.540 413 L N 0.949 122.152 121.223 -0.033 0.000 2.490 413 L HA 0.248 4.588 4.340 0.001 0.000 0.274 413 L C -0.235 176.711 176.870 0.127 0.000 1.201 413 L CA -0.910 53.937 54.840 0.011 0.000 0.869 413 L CB 0.135 42.193 42.059 -0.002 0.000 1.123 413 L HN 0.174 nan 8.230 nan 0.000 0.484 414 W N 4.040 125.256 121.300 -0.140 0.000 2.437 414 W HA 0.219 4.880 4.660 0.001 0.000 0.312 414 W C 0.180 176.580 176.519 -0.197 0.000 1.242 414 W CA -0.790 56.457 57.345 -0.163 0.000 1.340 414 W CB -0.443 28.932 29.460 -0.142 0.000 1.327 414 W HN 0.401 nan 8.180 nan 0.000 0.476 415 N N 5.629 124.215 118.700 -0.190 0.000 2.521 415 N HA 0.200 4.940 4.740 0.001 0.000 0.236 415 N C -0.315 174.958 175.510 -0.396 0.000 1.067 415 N CA -0.266 52.404 53.050 -0.634 0.000 0.939 415 N CB 0.605 38.155 38.487 -1.561 0.000 1.201 415 N HN 0.387 nan 8.380 nan 0.000 0.511 416 L N -1.167 120.056 121.223 0.001 0.000 2.375 416 L HA 0.574 4.915 4.340 0.001 0.000 0.268 416 L C 0.511 177.529 176.870 0.247 0.000 1.058 416 L CA -0.830 54.078 54.840 0.113 0.000 0.803 416 L CB 1.166 43.312 42.059 0.145 0.000 1.212 416 L HN 0.209 nan 8.230 nan 0.000 0.451 417 L N 0.223 121.513 121.223 0.112 0.000 2.590 417 L HA 0.303 4.644 4.340 0.001 0.000 0.227 417 L C -0.579 176.323 176.870 0.055 0.000 1.099 417 L CA 0.098 54.919 54.840 -0.032 0.000 0.872 417 L CB -0.196 41.656 42.059 -0.344 0.000 1.088 417 L HN 0.927 nan 8.230 nan 0.000 0.479 418 D N -2.312 118.118 120.400 0.050 0.000 2.893 418 D HA 0.398 5.039 4.640 0.001 0.000 0.346 418 D C -0.606 175.576 176.300 -0.195 0.000 1.402 418 D CA -0.242 53.744 54.000 -0.023 0.000 0.815 418 D CB 0.750 41.561 40.800 0.020 0.000 1.403 418 D HN -0.094 nan 8.370 nan 0.000 0.484 419 S N -2.186 113.272 115.700 -0.404 0.000 2.703 419 S HA 0.351 4.821 4.470 0.001 0.000 0.273 419 S C 0.241 174.450 174.600 -0.653 0.000 1.178 419 S CA -0.397 57.487 58.200 -0.527 0.000 0.838 419 S CB 0.443 63.596 63.200 -0.079 0.000 1.178 419 S HN 0.925 nan 8.310 nan 0.000 0.494 420 H N 0.073 118.911 119.070 -0.385 0.000 2.563 420 H HA 0.260 4.816 4.556 0.001 0.000 0.272 420 H C -0.250 175.034 175.328 -0.073 0.000 1.005 420 H CA 0.827 56.797 56.048 -0.130 0.000 1.171 420 H CB -0.498 29.294 29.762 0.051 0.000 1.351 420 H HN 0.568 nan 8.280 nan 0.000 0.602 421 D N 1.081 121.236 120.400 -0.409 0.000 2.431 421 D HA 0.060 4.701 4.640 0.001 0.000 0.213 421 D C 0.617 176.807 176.300 -0.182 0.000 1.130 421 D CA 0.411 54.236 54.000 -0.292 0.000 0.834 421 D CB 1.110 41.709 40.800 -0.335 0.000 0.985 421 D HN 0.530 nan 8.370 nan 0.000 0.504 422 T N -1.843 112.607 114.554 -0.174 0.000 2.901 422 T HA 0.449 4.800 4.350 0.001 0.000 0.293 422 T C -0.182 174.470 174.700 -0.080 0.000 1.084 422 T CA -0.891 61.140 62.100 -0.115 0.000 1.008 422 T CB 2.611 71.419 68.868 -0.101 0.000 1.170 422 T HN -0.011 nan 8.240 nan 0.000 0.509 423 E N 1.344 121.520 120.200 -0.041 0.000 2.404 423 E HA 0.274 4.625 4.350 0.001 0.000 0.261 423 E C -0.251 176.364 176.600 0.025 0.000 1.074 423 E CA -0.878 55.512 56.400 -0.017 0.000 0.917 423 E CB 0.704 30.392 29.700 -0.020 0.000 0.965 423 E HN 0.497 nan 8.360 nan 0.000 0.433 424 R N 0.992 121.522 120.500 0.050 0.000 2.590 424 R HA 0.014 4.355 4.340 0.001 0.000 0.274 424 R C 0.611 177.030 176.300 0.199 0.000 1.061 424 R CA -0.165 56.016 56.100 0.134 0.000 1.081 424 R CB 0.203 30.563 30.300 0.100 0.000 0.984 424 R HN 0.644 nan 8.270 nan 0.000 0.448 425 F N 2.407 122.466 119.950 0.181 0.000 2.202 425 F HA -0.214 4.313 4.527 0.001 0.000 0.301 425 F C 1.851 177.833 175.800 0.304 0.000 1.082 425 F CA 1.306 59.453 58.000 0.244 0.000 1.313 425 F CB -0.037 39.151 39.000 0.313 0.000 1.024 425 F HN 0.493 nan 8.300 nan 0.000 0.495 426 L N -0.300 121.114 121.223 0.318 0.000 2.046 426 L HA -0.190 4.151 4.340 0.001 0.000 0.208 426 L C 2.306 179.124 176.870 -0.087 0.000 1.077 426 L CA 2.303 57.133 54.840 -0.016 0.000 0.747 426 L CB -1.223 40.618 42.059 -0.363 0.000 0.896 426 L HN 0.098 nan 8.230 nan 0.000 0.432 427 T N -1.197 113.318 114.554 -0.064 0.000 2.777 427 T HA -0.132 4.219 4.350 0.001 0.000 0.266 427 T C 1.937 176.564 174.700 -0.122 0.000 1.040 427 T CA 1.525 63.576 62.100 -0.081 0.000 1.141 427 T CB -0.184 68.653 68.868 -0.051 0.000 0.868 427 T HN 0.420 nan 8.240 nan 0.000 0.444 428 S N 0.433 116.037 115.700 -0.160 0.000 2.419 428 S HA -0.108 4.363 4.470 0.001 0.000 0.235 428 S C 1.898 176.309 174.600 -0.316 0.000 1.019 428 S CA 0.696 58.757 58.200 -0.232 0.000 0.982 428 S CB -0.415 62.611 63.200 -0.290 0.000 0.789 428 S HN 0.557 nan 8.310 nan 0.000 0.490 429 C N 1.599 120.681 119.300 -0.363 0.000 2.524 429 C HA 0.416 4.877 4.460 0.001 0.000 0.301 429 C C 1.882 176.768 174.990 -0.173 0.000 1.296 429 C CA -0.392 58.450 59.018 -0.294 0.000 1.683 429 C CB -1.734 25.860 27.740 -0.242 0.000 1.764 429 C HN 0.727 nan 8.230 nan 0.000 0.597 430 G N 0.692 109.405 108.800 -0.145 0.000 2.258 430 G HA2 -0.030 3.931 3.960 0.001 0.000 0.274 430 G HA3 -0.030 3.931 3.960 0.001 0.000 0.274 430 G C 1.051 175.898 174.900 -0.089 0.000 1.021 430 G CA 0.673 45.712 45.100 -0.102 0.000 0.798 430 G HN 1.464 nan 8.290 nan 0.000 0.507 431 G N -1.027 107.715 108.800 -0.097 0.000 2.205 431 G HA2 -0.344 3.616 3.960 0.001 0.000 0.261 431 G HA3 -0.344 3.616 3.960 0.001 0.000 0.261 431 G C 0.385 175.237 174.900 -0.079 0.000 0.980 431 G CA 0.802 45.850 45.100 -0.088 0.000 0.632 431 G HN 1.524 nan 8.290 nan 0.000 0.533 432 N N 1.167 119.817 118.700 -0.083 0.000 2.416 432 N HA 0.159 4.899 4.740 0.001 0.000 0.265 432 N C 1.136 176.619 175.510 -0.046 0.000 1.195 432 N CA 0.675 53.677 53.050 -0.079 0.000 0.943 432 N CB 0.748 39.159 38.487 -0.127 0.000 1.115 432 N HN 0.602 nan 8.380 nan 0.000 0.481 433 E N 3.425 123.614 120.200 -0.018 0.000 2.204 433 E HA -0.129 4.221 4.350 0.001 0.000 0.194 433 E C 1.490 178.127 176.600 0.062 0.000 0.989 433 E CA 0.899 57.331 56.400 0.053 0.000 0.824 433 E CB 0.119 29.839 29.700 0.033 0.000 0.756 433 E HN 0.743 nan 8.360 nan 0.000 0.477 434 A N 1.304 124.107 122.820 -0.029 0.000 1.902 434 A HA -0.221 4.100 4.320 0.001 0.000 0.217 434 A C 1.991 179.465 177.584 -0.183 0.000 1.181 434 A CA 1.591 53.593 52.037 -0.058 0.000 0.623 434 A CB -0.276 18.714 19.000 -0.017 0.000 0.818 434 A HN 0.127 nan 8.150 nan 0.000 0.443 435 K N -1.791 118.416 120.400 -0.321 0.000 2.031 435 K HA -0.044 4.276 4.320 0.001 0.000 0.205 435 K C 1.840 178.437 176.600 -0.006 0.000 1.049 435 K CA 1.369 57.481 56.287 -0.290 0.000 0.939 435 K CB -0.328 31.981 32.500 -0.317 0.000 0.717 435 K HN 0.478 nan 8.250 nan 0.000 0.438 436 F N 2.368 122.300 119.950 -0.029 0.000 2.069 436 F HA -0.204 4.324 4.527 0.001 0.000 0.298 436 F C 2.312 178.180 175.800 0.114 0.000 1.113 436 F CA 1.511 59.598 58.000 0.145 0.000 1.214 436 F CB -0.029 39.062 39.000 0.152 0.000 0.978 436 F HN -0.131 nan 8.300 nan 0.000 0.474 437 R N -0.230 120.466 120.500 0.327 0.000 2.117 437 R HA -0.217 4.124 4.340 0.001 0.000 0.243 437 R C 2.112 178.537 176.300 0.208 0.000 1.143 437 R CA 1.715 58.016 56.100 0.336 0.000 0.968 437 R CB -0.854 29.541 30.300 0.159 0.000 0.863 437 R HN 0.346 nan 8.270 nan 0.000 0.444 438 L N 0.537 121.781 121.223 0.035 0.000 2.046 438 L HA -0.095 4.246 4.340 0.001 0.000 0.208 438 L C 2.256 178.893 176.870 -0.388 0.000 1.077 438 L CA 1.950 56.766 54.840 -0.041 0.000 0.747 438 L CB -0.654 41.425 42.059 0.035 0.000 0.896 438 L HN 0.133 nan 8.230 nan 0.000 0.432 439 A N -1.024 121.354 122.820 -0.738 0.000 1.865 439 A HA -0.180 4.141 4.320 0.001 0.000 0.217 439 A C 2.242 179.504 177.584 -0.537 0.000 1.191 439 A CA 2.199 53.581 52.037 -1.092 0.000 0.623 439 A CB -1.229 17.330 19.000 -0.735 0.000 0.826 439 A HN 0.295 nan 8.150 nan 0.000 0.444 440 V N -0.015 119.583 119.914 -0.527 0.000 2.392 440 V HA -0.274 3.846 4.120 0.001 0.000 0.249 440 V C 2.503 178.358 176.094 -0.398 0.000 1.059 440 V CA 1.952 63.932 62.300 -0.533 0.000 1.051 440 V CB -0.883 30.490 31.823 -0.750 0.000 0.658 440 V HN 0.628 nan 8.190 nan 0.000 0.455 441 L N -0.818 120.258 121.223 -0.246 0.000 2.046 441 L HA -0.200 4.140 4.340 0.001 0.000 0.208 441 L C 2.273 179.170 176.870 0.045 0.000 1.077 441 L CA 1.997 56.772 54.840 -0.108 0.000 0.747 441 L CB -0.327 41.810 42.059 0.131 0.000 0.896 441 L HN 0.369 nan 8.230 nan 0.000 0.432 442 F N 0.264 120.200 119.950 -0.025 0.000 2.113 442 F HA -0.257 4.270 4.527 0.001 0.000 0.297 442 F C 2.671 178.592 175.800 0.202 0.000 1.103 442 F CA 1.891 60.003 58.000 0.186 0.000 1.248 442 F CB -0.254 38.880 39.000 0.223 0.000 0.999 442 F HN 0.243 nan 8.300 nan 0.000 0.475 443 Q N 0.040 119.834 119.800 -0.010 0.000 2.061 443 Q HA -0.278 4.063 4.340 0.001 0.000 0.204 443 Q C 1.852 177.747 176.000 -0.177 0.000 0.984 443 Q CA 2.067 57.860 55.803 -0.016 0.000 0.846 443 Q CB -0.345 28.404 28.738 0.018 0.000 0.902 443 Q HN 0.419 nan 8.270 nan 0.000 0.421 444 M N 0.618 120.101 119.600 -0.195 0.000 2.659 444 M HA -0.006 4.474 4.480 0.001 0.000 0.243 444 M C 0.896 177.114 176.300 -0.138 0.000 1.111 444 M CA 1.226 56.402 55.300 -0.207 0.000 1.070 444 M CB 0.328 32.753 32.600 -0.292 0.000 1.525 444 M HN 0.482 nan 8.290 nan 0.000 0.517 445 T N -4.491 110.027 114.554 -0.060 0.000 3.058 445 T HA 0.177 4.527 4.350 0.001 0.000 0.278 445 T C 0.179 174.995 174.700 0.194 0.000 0.974 445 T CA -0.384 61.761 62.100 0.075 0.000 0.893 445 T CB -0.185 68.803 68.868 0.199 0.000 1.138 445 T HN 0.130 nan 8.240 nan 0.000 0.529 446 Y N 1.834 122.000 120.300 -0.223 0.000 2.340 446 Y HA 0.619 5.170 4.550 0.001 0.000 0.327 446 Y C 0.001 175.786 175.900 -0.192 0.000 1.321 446 Y CA -2.420 55.479 58.100 -0.336 0.000 1.433 446 Y CB 0.626 38.553 38.460 -0.889 0.000 1.373 446 Y HN 0.132 nan 8.280 nan 0.000 0.538 447 L N 3.110 123.747 121.223 -0.975 0.000 2.369 447 L HA 0.535 4.876 4.340 0.001 0.000 0.279 447 L C 0.055 176.641 176.870 -0.474 0.000 1.108 447 L CA 1.186 55.620 54.840 -0.677 0.000 0.852 447 L CB -0.507 41.103 42.059 -0.748 0.000 1.169 447 L HN 0.809 nan 8.230 nan 0.000 0.452 448 G N 2.638 111.264 108.800 -0.289 0.000 2.346 448 G HA2 0.027 3.987 3.960 0.001 0.000 0.294 448 G HA3 0.027 3.987 3.960 0.001 0.000 0.294 448 G C -0.962 173.823 174.900 -0.191 0.000 1.294 448 G CA -0.526 44.446 45.100 -0.213 0.000 0.962 448 G HN 0.513 nan 8.290 nan 0.000 0.508 449 T N 3.160 117.625 114.554 -0.149 0.000 2.743 449 T HA 0.602 4.953 4.350 0.001 0.000 0.292 449 T C -2.521 172.021 174.700 -0.263 0.000 0.972 449 T CA -0.640 61.353 62.100 -0.179 0.000 0.967 449 T CB 1.628 70.420 68.868 -0.126 0.000 0.926 449 T HN 0.338 nan 8.240 nan 0.000 0.459 450 P HA 0.229 nan 4.420 nan 0.000 0.271 450 P C -0.966 176.179 177.300 -0.259 0.000 1.220 450 P CA -0.592 62.353 63.100 -0.258 0.000 0.768 450 P CB 0.460 32.040 31.700 -0.201 0.000 0.848 451 L N 5.749 126.842 121.223 -0.217 0.000 2.343 451 L HA 0.473 4.813 4.340 0.001 0.000 0.278 451 L C -1.008 175.825 176.870 -0.062 0.000 0.996 451 L CA -0.393 54.326 54.840 -0.202 0.000 0.831 451 L CB 0.619 42.575 42.059 -0.171 0.000 1.232 451 L HN 0.243 nan 8.230 nan 0.000 0.413 452 I N 5.185 125.729 120.570 -0.045 0.000 2.331 452 I HA 0.198 4.369 4.170 0.001 0.000 0.292 452 I C -0.964 175.077 176.117 -0.127 0.000 0.998 452 I CA -0.699 60.602 61.300 0.002 0.000 1.267 452 I CB 1.050 39.090 38.000 0.066 0.000 1.386 452 I HN 0.538 nan 8.210 nan 0.000 0.476 453 Y N 8.397 128.586 120.300 -0.185 0.000 2.327 453 Y HA 0.201 4.752 4.550 0.001 0.000 0.336 453 Y C -0.055 175.614 175.900 -0.385 0.000 1.035 453 Y CA -1.462 56.492 58.100 -0.243 0.000 1.165 453 Y CB 0.374 38.761 38.460 -0.121 0.000 1.181 453 Y HN 0.460 nan 8.280 nan 0.000 0.494 454 Y N 4.856 124.671 120.300 -0.809 0.000 2.944 454 Y HA 0.259 4.810 4.550 0.001 0.000 0.340 454 Y C 1.045 176.711 175.900 -0.390 0.000 1.275 454 Y CA 0.260 57.993 58.100 -0.611 0.000 1.590 454 Y CB -0.233 38.003 38.460 -0.374 0.000 1.218 454 Y HN 0.945 nan 8.280 nan 0.000 0.576 455 G N 3.083 111.880 108.800 -0.005 0.000 2.299 455 G HA2 -0.362 3.598 3.960 0.001 0.000 0.237 455 G HA3 -0.362 3.598 3.960 0.001 0.000 0.237 455 G C 0.879 175.726 174.900 -0.088 0.000 1.027 455 G CA 0.316 45.366 45.100 -0.083 0.000 0.619 455 G HN 0.617 nan 8.290 nan 0.000 0.513 456 D N 1.441 121.794 120.400 -0.078 0.000 2.149 456 D HA -0.085 4.556 4.640 0.001 0.000 0.198 456 D C 2.476 178.831 176.300 0.093 0.000 0.990 456 D CA 1.484 55.546 54.000 0.104 0.000 0.839 456 D CB -0.244 40.780 40.800 0.373 0.000 0.948 456 D HN 0.795 nan 8.370 nan 0.000 0.460 457 E N 1.304 121.426 120.200 -0.131 0.000 2.267 457 E HA -0.184 4.166 4.350 0.001 0.000 0.197 457 E C 1.820 178.494 176.600 0.123 0.000 0.998 457 E CA 0.847 57.027 56.400 -0.367 0.000 0.830 457 E CB -0.437 29.092 29.700 -0.285 0.000 0.751 457 E HN 0.476 nan 8.360 nan 0.000 0.491 458 I N -3.385 117.256 120.570 0.118 0.000 3.927 458 I HA 0.507 4.677 4.170 0.001 0.000 0.332 458 I C 0.849 176.990 176.117 0.040 0.000 1.485 458 I CA -0.094 61.279 61.300 0.121 0.000 1.131 458 I CB 0.586 38.604 38.000 0.031 0.000 1.092 458 I HN 0.046 nan 8.210 nan 0.000 0.410 459 G N 2.211 111.010 108.800 -0.000 0.000 2.248 459 G HA2 -0.241 3.720 3.960 0.001 0.000 0.263 459 G HA3 -0.241 3.720 3.960 0.001 0.000 0.263 459 G C -0.024 174.788 174.900 -0.147 0.000 1.082 459 G CA -0.114 44.909 45.100 -0.128 0.000 0.863 459 G HN 0.418 nan 8.290 nan 0.000 0.495 460 M N 0.025 119.545 119.600 -0.132 0.000 2.242 460 M HA 0.535 5.016 4.480 0.001 0.000 0.344 460 M C 0.713 176.933 176.300 -0.133 0.000 1.140 460 M CA 0.780 56.003 55.300 -0.128 0.000 1.160 460 M CB 1.233 33.746 32.600 -0.144 0.000 1.491 460 M HN 0.656 nan 8.290 nan 0.000 0.459 461 A N 1.360 124.115 122.820 -0.109 0.000 2.435 461 A HA 1.034 5.354 4.320 0.001 0.000 0.296 461 A C -0.414 177.130 177.584 -0.068 0.000 1.147 461 A CA -0.271 51.712 52.037 -0.091 0.000 0.775 461 A CB 1.904 20.846 19.000 -0.096 0.000 1.340 461 A HN 0.942 nan 8.150 nan 0.000 0.427 462 G N -1.695 107.075 108.800 -0.049 0.000 2.368 462 G HA2 0.630 4.591 3.960 0.001 0.000 0.303 462 G HA3 0.630 4.591 3.960 0.001 0.000 0.303 462 G C -0.372 174.508 174.900 -0.032 0.000 1.590 462 G CA 0.195 45.269 45.100 -0.043 0.000 0.938 462 G HN 1.850 nan 8.290 nan 0.000 0.675 463 A N 0.348 123.146 122.820 -0.035 0.000 2.262 463 A HA 0.849 5.170 4.320 0.001 0.000 0.273 463 A C 1.343 178.906 177.584 -0.036 0.000 1.202 463 A CA 0.929 52.946 52.037 -0.034 0.000 0.811 463 A CB 0.111 19.092 19.000 -0.033 0.000 1.159 463 A HN 2.074 nan 8.150 nan 0.000 0.505 464 T N -1.042 113.489 114.554 -0.039 0.000 2.680 464 T HA 0.173 4.524 4.350 0.001 0.000 0.314 464 T C 0.341 175.003 174.700 -0.063 0.000 1.045 464 T CA 0.465 62.536 62.100 -0.050 0.000 1.025 464 T CB -0.160 68.679 68.868 -0.048 0.000 1.000 464 T HN 0.754 nan 8.240 nan 0.000 0.535 465 D N 1.355 121.709 120.400 -0.076 0.000 2.629 465 D HA 0.002 4.643 4.640 0.001 0.000 0.228 465 D C -1.317 174.883 176.300 -0.166 0.000 1.127 465 D CA -0.771 53.164 54.000 -0.109 0.000 0.855 465 D CB 0.782 41.535 40.800 -0.078 0.000 1.180 465 D HN 0.344 nan 8.370 nan 0.000 0.484 466 P HA 0.079 nan 4.420 nan 0.000 0.262 466 P C 0.227 177.465 177.300 -0.104 0.000 1.304 466 P CA 0.000 62.977 63.100 -0.205 0.000 0.859 466 P CB 0.453 31.970 31.700 -0.306 0.000 1.310 467 D N 0.530 120.880 120.400 -0.084 0.000 2.310 467 D HA -0.122 4.519 4.640 0.001 0.000 0.212 467 D C 1.590 177.858 176.300 -0.053 0.000 0.965 467 D CA 0.785 54.750 54.000 -0.057 0.000 0.879 467 D CB -0.459 40.313 40.800 -0.046 0.000 0.921 467 D HN 0.208 nan 8.370 nan 0.000 0.510 468 C N -0.908 118.365 119.300 -0.046 0.000 2.562 468 C HA 0.312 4.773 4.460 0.001 0.000 0.266 468 C C 1.525 176.511 174.990 -0.006 0.000 1.382 468 C CA -0.593 58.420 59.018 -0.007 0.000 1.742 468 C CB -1.131 26.620 27.740 0.019 0.000 1.812 468 C HN 0.034 nan 8.230 nan 0.000 0.559 469 R N 0.919 121.389 120.500 -0.049 0.000 2.893 469 R HA 0.271 4.612 4.340 0.001 0.000 0.317 469 R C 0.163 176.440 176.300 -0.039 0.000 1.239 469 R CA -0.204 55.865 56.100 -0.051 0.000 1.128 469 R CB -0.106 30.066 30.300 -0.214 0.000 1.377 469 R HN 0.576 nan 8.270 nan 0.000 0.583 470 R N 2.095 122.547 120.500 -0.080 0.000 2.694 470 R HA 0.102 4.442 4.340 0.001 0.000 0.268 470 R C -2.051 174.085 176.300 -0.273 0.000 1.061 470 R CA -1.463 54.507 56.100 -0.217 0.000 1.133 470 R CB 0.169 30.368 30.300 -0.167 0.000 1.020 470 R HN 0.030 nan 8.270 nan 0.000 0.475 471 P HA -0.084 nan 4.420 nan 0.000 0.267 471 P C -0.498 176.613 177.300 -0.315 0.000 1.205 471 P CA -0.166 62.415 63.100 -0.864 0.000 0.765 471 P CB 0.611 31.266 31.700 -1.743 0.000 0.828 472 M N 4.830 124.433 119.600 0.005 0.000 2.261 472 M HA 0.032 4.512 4.480 0.001 0.000 0.350 472 M C -0.405 175.788 176.300 -0.179 0.000 1.343 472 M CA 0.590 55.870 55.300 -0.032 0.000 1.003 472 M CB -0.814 31.715 32.600 -0.118 0.000 1.848 472 M HN 0.201 nan 8.290 nan 0.000 0.456 473 I N 6.771 127.149 120.570 -0.320 0.000 2.363 473 I HA 0.005 4.175 4.170 0.001 0.000 0.292 473 I C -0.254 175.586 176.117 -0.462 0.000 1.075 473 I CA 0.308 61.466 61.300 -0.237 0.000 1.333 473 I CB 0.244 38.150 38.000 -0.156 0.000 1.415 473 I HN 0.903 nan 8.210 nan 0.000 0.502 474 W N 3.152 124.439 121.300 -0.023 0.000 3.013 474 W HA 0.149 4.810 4.660 0.001 0.000 0.280 474 W C 1.101 177.537 176.519 -0.138 0.000 1.249 474 W CA -0.354 56.890 57.345 -0.169 0.000 1.577 474 W CB 0.476 29.779 29.460 -0.262 0.000 1.057 474 W HN 0.413 nan 8.180 nan 0.000 0.613 475 E N 2.373 122.643 120.200 0.117 0.000 2.292 475 E HA -0.088 4.263 4.350 0.001 0.000 0.265 475 E C 1.046 177.665 176.600 0.031 0.000 1.093 475 E CA 0.093 56.532 56.400 0.065 0.000 0.922 475 E CB 0.746 30.480 29.700 0.056 0.000 1.001 475 E HN 0.269 nan 8.360 nan 0.000 0.444 476 E N 3.747 123.963 120.200 0.027 0.000 2.114 476 E HA -0.249 4.102 4.350 0.001 0.000 0.199 476 E C 1.122 177.732 176.600 0.017 0.000 1.008 476 E CA 1.469 57.877 56.400 0.014 0.000 0.810 476 E CB 0.275 29.988 29.700 0.021 0.000 0.739 476 E HN 0.424 nan 8.360 nan 0.000 0.456 477 K N -0.048 120.365 120.400 0.021 0.000 2.362 477 K HA -0.094 4.227 4.320 0.001 0.000 0.200 477 K C 1.407 178.018 176.600 0.018 0.000 1.046 477 K CA 0.675 56.975 56.287 0.022 0.000 0.952 477 K CB 0.162 32.676 32.500 0.022 0.000 0.753 477 K HN 0.096 nan 8.250 nan 0.000 0.466 478 E N 0.824 121.032 120.200 0.013 0.000 2.474 478 E HA 0.042 4.393 4.350 0.001 0.000 0.195 478 E C 0.127 176.722 176.600 -0.009 0.000 1.039 478 E CA 0.312 56.716 56.400 0.006 0.000 0.881 478 E CB 0.398 30.104 29.700 0.010 0.000 0.970 478 E HN 0.388 nan 8.360 nan 0.000 0.486 479 Q N 0.547 120.341 119.800 -0.010 0.000 2.205 479 Q HA 0.248 4.588 4.340 0.001 0.000 0.249 479 Q C 0.147 176.161 176.000 0.023 0.000 0.948 479 Q CA -0.525 55.267 55.803 -0.019 0.000 0.895 479 Q CB 1.068 29.776 28.738 -0.051 0.000 1.249 479 Q HN -0.124 nan 8.270 nan 0.000 0.458 480 N N 1.717 120.444 118.700 0.046 0.000 2.719 480 N HA 0.035 4.776 4.740 0.001 0.000 0.243 480 N C 0.198 175.811 175.510 0.171 0.000 1.104 480 N CA 0.006 53.111 53.050 0.090 0.000 0.981 480 N CB 0.415 38.952 38.487 0.083 0.000 1.290 480 N HN 0.435 nan 8.380 nan 0.000 0.513 481 R N 1.417 122.017 120.500 0.166 0.000 2.237 481 R HA -0.022 4.319 4.340 0.001 0.000 0.219 481 R C 1.700 178.169 176.300 0.281 0.000 1.080 481 R CA 0.616 56.872 56.100 0.260 0.000 0.995 481 R CB -0.587 29.831 30.300 0.196 0.000 0.875 481 R HN 0.486 nan 8.270 nan 0.000 0.462 482 G N 1.084 110.005 108.800 0.201 0.000 2.404 482 G HA2 -0.211 3.749 3.960 0.001 0.000 0.215 482 G HA3 -0.211 3.749 3.960 0.001 0.000 0.215 482 G C 1.549 176.594 174.900 0.241 0.000 1.174 482 G CA 0.099 45.303 45.100 0.173 0.000 0.780 482 G HN 0.218 nan 8.290 nan 0.000 0.537 483 L N -0.756 120.636 121.223 0.282 0.000 2.017 483 L HA 0.068 4.408 4.340 0.001 0.000 0.208 483 L C 2.562 179.743 176.870 0.518 0.000 1.073 483 L CA 1.271 56.359 54.840 0.414 0.000 0.745 483 L CB -0.278 42.003 42.059 0.370 0.000 0.894 483 L HN 0.292 nan 8.230 nan 0.000 0.432 484 F N 0.500 120.613 119.950 0.270 0.000 2.115 484 F HA -0.324 4.204 4.527 0.001 0.000 0.300 484 F C 2.492 178.431 175.800 0.231 0.000 1.092 484 F CA 1.732 59.862 58.000 0.217 0.000 1.245 484 F CB 0.035 39.133 39.000 0.163 0.000 0.995 484 F HN 0.128 nan 8.300 nan 0.000 0.481 485 E N -0.116 120.205 120.200 0.201 0.000 2.204 485 E HA -0.213 4.137 4.350 0.001 0.000 0.194 485 E C 2.083 178.783 176.600 0.166 0.000 0.989 485 E CA 0.965 57.418 56.400 0.089 0.000 0.824 485 E CB -0.712 29.079 29.700 0.151 0.000 0.756 485 E HN 0.593 nan 8.360 nan 0.000 0.477 486 F N -0.008 119.993 119.950 0.085 0.000 2.113 486 F HA -0.284 4.244 4.527 0.001 0.000 0.297 486 F C 2.098 177.919 175.800 0.035 0.000 1.103 486 F CA 0.956 58.995 58.000 0.065 0.000 1.248 486 F CB -0.080 38.978 39.000 0.097 0.000 0.999 486 F HN -0.021 nan 8.300 nan 0.000 0.475 487 Y N 1.161 121.421 120.300 -0.066 0.000 2.128 487 Y HA -0.267 4.284 4.550 0.001 0.000 0.284 487 Y C 2.367 178.115 175.900 -0.253 0.000 1.154 487 Y CA 2.013 59.978 58.100 -0.224 0.000 1.149 487 Y CB -0.485 37.910 38.460 -0.109 0.000 0.976 487 Y HN -0.026 nan 8.280 nan 0.000 0.505 488 K N -0.075 120.256 120.400 -0.116 0.000 2.009 488 K HA -0.280 4.041 4.320 0.001 0.000 0.210 488 K C 2.083 178.623 176.600 -0.100 0.000 1.049 488 K CA 1.962 58.143 56.287 -0.176 0.000 0.929 488 K CB -0.306 32.038 32.500 -0.259 0.000 0.714 488 K HN 0.365 nan 8.250 nan 0.000 0.440 489 E N 1.124 121.292 120.200 -0.053 0.000 2.051 489 E HA -0.188 4.162 4.350 0.001 0.000 0.192 489 E C 2.069 178.618 176.600 -0.086 0.000 0.991 489 E CA 0.949 57.334 56.400 -0.024 0.000 0.799 489 E CB -0.006 29.733 29.700 0.066 0.000 0.748 489 E HN 0.202 nan 8.360 nan 0.000 0.449 490 L N 0.583 121.694 121.223 -0.186 0.000 2.012 490 L HA -0.222 4.118 4.340 0.001 0.000 0.210 490 L C 2.596 179.330 176.870 -0.226 0.000 1.073 490 L CA 1.122 55.804 54.840 -0.263 0.000 0.748 490 L CB -0.434 41.323 42.059 -0.504 0.000 0.891 490 L HN 0.260 nan 8.230 nan 0.000 0.431 491 I N -0.686 119.757 120.570 -0.212 0.000 2.286 491 I HA -0.282 3.889 4.170 0.001 0.000 0.248 491 I C 2.804 178.781 176.117 -0.232 0.000 1.115 491 I CA 1.212 62.364 61.300 -0.247 0.000 1.392 491 I CB -0.326 37.586 38.000 -0.147 0.000 1.065 491 I HN 0.216 nan 8.210 nan 0.000 0.418 492 R N 0.436 120.883 120.500 -0.089 0.000 2.075 492 R HA -0.106 4.235 4.340 0.001 0.000 0.232 492 R C 2.347 178.617 176.300 -0.049 0.000 1.126 492 R CA 1.190 57.286 56.100 -0.007 0.000 0.963 492 R CB -0.294 30.000 30.300 -0.009 0.000 0.858 492 R HN 0.371 nan 8.270 nan 0.000 0.435 493 L N 0.117 121.283 121.223 -0.096 0.000 2.027 493 L HA -0.152 4.188 4.340 0.001 0.000 0.206 493 L C 2.776 179.563 176.870 -0.140 0.000 1.074 493 L CA 1.178 55.952 54.840 -0.110 0.000 0.745 493 L CB -0.392 41.612 42.059 -0.092 0.000 0.898 493 L HN 0.185 nan 8.230 nan 0.000 0.433 494 R N -0.897 119.488 120.500 -0.192 0.000 2.159 494 R HA -0.178 4.162 4.340 0.001 0.000 0.237 494 R C 2.167 178.350 176.300 -0.195 0.000 1.131 494 R CA 1.134 57.100 56.100 -0.224 0.000 0.982 494 R CB -0.104 30.011 30.300 -0.309 0.000 0.868 494 R HN 0.476 nan 8.270 nan 0.000 0.453 495 H N -0.413 118.601 119.070 -0.093 0.000 2.448 495 H HA 0.047 4.604 4.556 0.001 0.000 0.292 495 H C 1.821 177.090 175.328 -0.099 0.000 1.035 495 H CA 0.978 56.976 56.048 -0.084 0.000 1.349 495 H CB 0.242 29.963 29.762 -0.069 0.000 1.425 495 H HN 0.206 nan 8.280 nan 0.000 0.539 496 R N 0.098 120.590 120.500 -0.013 0.000 2.173 496 R HA 0.163 4.503 4.340 0.001 0.000 0.208 496 R C 0.405 176.602 176.300 -0.173 0.000 1.035 496 R CA 0.149 56.188 56.100 -0.100 0.000 1.004 496 R CB 0.356 30.565 30.300 -0.151 0.000 0.917 496 R HN 0.045 nan 8.270 nan 0.000 0.462 497 L N 1.442 122.553 121.223 -0.188 0.000 2.282 497 L HA 0.265 4.606 4.340 0.001 0.000 0.287 497 L C 1.251 178.048 176.870 -0.122 0.000 1.075 497 L CA -0.556 54.154 54.840 -0.217 0.000 0.839 497 L CB 1.301 43.219 42.059 -0.235 0.000 1.219 497 L HN 0.156 nan 8.230 nan 0.000 0.434 498 A N 2.356 125.117 122.820 -0.098 0.000 1.986 498 A HA -0.224 4.096 4.320 0.001 0.000 0.220 498 A C 2.402 179.950 177.584 -0.059 0.000 1.171 498 A CA 2.178 54.177 52.037 -0.063 0.000 0.640 498 A CB -0.389 18.583 19.000 -0.047 0.000 0.811 498 A HN 0.815 nan 8.150 nan 0.000 0.451 499 S N 0.146 115.812 115.700 -0.056 0.000 2.382 499 S HA -0.113 4.358 4.470 0.001 0.000 0.228 499 S C 1.781 176.355 174.600 -0.044 0.000 1.027 499 S CA 1.481 59.653 58.200 -0.047 0.000 0.991 499 S CB -0.776 62.408 63.200 -0.027 0.000 0.823 499 S HN 0.490 nan 8.310 nan 0.000 0.469 500 L N 1.779 122.973 121.223 -0.049 0.000 2.275 500 L HA -0.038 4.302 4.340 0.001 0.000 0.215 500 L C 2.962 179.786 176.870 -0.076 0.000 1.119 500 L CA 1.483 56.294 54.840 -0.050 0.000 0.790 500 L CB -1.026 40.992 42.059 -0.068 0.000 0.919 500 L HN 0.668 nan 8.230 nan 0.000 0.443 501 T N -3.781 110.727 114.554 -0.077 0.000 3.046 501 T HA 0.038 4.389 4.350 0.001 0.000 0.242 501 T C 1.714 176.361 174.700 -0.089 0.000 1.018 501 T CA -0.132 61.917 62.100 -0.084 0.000 1.131 501 T CB 0.068 68.901 68.868 -0.058 0.000 0.904 501 T HN 0.192 nan 8.240 nan 0.000 0.459 502 R N 1.167 121.621 120.500 -0.076 0.000 2.543 502 R HA 0.461 4.802 4.340 0.001 0.000 0.323 502 R C 0.884 177.138 176.300 -0.077 0.000 1.002 502 R CA -0.321 55.731 56.100 -0.079 0.000 1.106 502 R CB 0.958 31.219 30.300 -0.065 0.000 1.280 502 R HN 0.439 nan 8.270 nan 0.000 0.549 503 G N 0.728 109.483 108.800 -0.074 0.000 2.477 503 G HA2 0.130 4.091 3.960 0.001 0.000 0.304 503 G HA3 0.130 4.091 3.960 0.001 0.000 0.304 503 G C -0.249 174.610 174.900 -0.069 0.000 1.175 503 G CA -0.758 44.302 45.100 -0.067 0.000 0.907 503 G HN 0.357 nan 8.290 nan 0.000 0.509 504 N N -2.151 116.516 118.700 -0.056 0.000 2.328 504 N HA 0.440 5.181 4.740 0.001 0.000 0.277 504 N C -0.722 174.779 175.510 -0.015 0.000 1.286 504 N CA -0.680 52.341 53.050 -0.048 0.000 0.949 504 N CB 0.960 39.428 38.487 -0.031 0.000 1.136 504 N HN 0.282 nan 8.380 nan 0.000 0.550 505 V N -1.055 118.860 119.914 0.001 0.000 2.760 505 V HA 0.577 4.697 4.120 0.001 0.000 0.309 505 V C -0.619 175.548 176.094 0.121 0.000 1.077 505 V CA -0.960 61.391 62.300 0.084 0.000 0.910 505 V CB 1.493 33.327 31.823 0.019 0.000 1.008 505 V HN 0.684 nan 8.190 nan 0.000 0.424 506 R N 1.479 122.102 120.500 0.205 0.000 2.604 506 R HA 0.576 4.917 4.340 0.001 0.000 0.281 506 R C -0.733 175.727 176.300 0.267 0.000 1.020 506 R CA -0.622 55.587 56.100 0.180 0.000 0.899 506 R CB 2.295 32.663 30.300 0.114 0.000 1.205 506 R HN 0.741 nan 8.270 nan 0.000 0.450 507 S N 1.637 117.493 115.700 0.260 0.000 2.548 507 S HA 0.123 4.594 4.470 0.001 0.000 0.277 507 S C 0.187 174.975 174.600 0.314 0.000 1.315 507 S CA -0.374 58.020 58.200 0.322 0.000 1.050 507 S CB 0.690 64.094 63.200 0.340 0.000 0.918 507 S HN 0.620 nan 8.310 nan 0.000 0.497 508 W N 3.077 124.418 121.300 0.069 0.000 2.798 508 W HA 0.295 4.956 4.660 0.001 0.000 0.260 508 W C 0.463 177.048 176.519 0.109 0.000 1.165 508 W CA 0.507 57.883 57.345 0.052 0.000 1.501 508 W CB -0.153 29.299 29.460 -0.013 0.000 1.023 508 W HN 0.797 nan 8.180 nan 0.000 0.615 509 H N -0.602 118.542 119.070 0.124 0.000 3.123 509 H HA 0.528 5.085 4.556 0.001 0.000 0.346 509 H C -1.480 173.925 175.328 0.128 0.000 1.138 509 H CA -0.071 55.989 56.048 0.020 0.000 1.273 509 H CB 1.481 31.101 29.762 -0.237 0.000 1.926 509 H HN -0.071 nan 8.280 nan 0.000 0.524 510 A N 4.348 127.105 122.820 -0.105 0.000 2.446 510 A HA 0.338 4.658 4.320 0.001 0.000 0.282 510 A C -1.507 176.042 177.584 -0.058 0.000 1.102 510 A CA -0.653 51.460 52.037 0.127 0.000 0.737 510 A CB 1.105 20.211 19.000 0.176 0.000 1.212 510 A HN 0.680 nan 8.150 nan 0.000 0.434 511 D N 3.258 123.716 120.400 0.096 0.000 2.461 511 D HA 0.178 4.819 4.640 0.001 0.000 0.240 511 D C 1.071 177.415 176.300 0.075 0.000 1.094 511 D CA -0.338 53.702 54.000 0.067 0.000 0.868 511 D CB 1.173 42.087 40.800 0.191 0.000 1.062 511 D HN 0.666 nan 8.370 nan 0.000 0.530 512 K N 2.237 122.642 120.400 0.008 0.000 2.152 512 K HA -0.226 4.094 4.320 0.001 0.000 0.206 512 K C 1.462 177.988 176.600 -0.124 0.000 1.048 512 K CA 0.970 57.194 56.287 -0.105 0.000 0.933 512 K CB 0.245 32.516 32.500 -0.382 0.000 0.721 512 K HN 0.154 nan 8.250 nan 0.000 0.447 513 Q N 1.053 120.809 119.800 -0.073 0.000 2.033 513 Q HA 0.097 4.437 4.340 0.001 0.000 0.196 513 Q C 2.119 178.109 176.000 -0.016 0.000 0.970 513 Q CA 1.876 57.645 55.803 -0.056 0.000 0.828 513 Q CB -0.287 28.424 28.738 -0.045 0.000 0.895 513 Q HN 0.444 nan 8.270 nan 0.000 0.440 514 A N 0.090 122.919 122.820 0.015 0.000 2.119 514 A HA -0.020 4.301 4.320 0.001 0.000 0.217 514 A C 0.764 178.371 177.584 0.038 0.000 1.153 514 A CA 0.937 52.986 52.037 0.019 0.000 0.692 514 A CB -0.480 18.539 19.000 0.032 0.000 0.799 514 A HN 0.641 nan 8.150 nan 0.000 0.458 515 N N -2.142 116.607 118.700 0.082 0.000 2.735 515 N HA -0.162 4.579 4.740 0.001 0.000 0.248 515 N C -0.460 175.158 175.510 0.180 0.000 1.083 515 N CA 0.913 54.047 53.050 0.140 0.000 0.703 515 N CB -1.832 36.698 38.487 0.072 0.000 1.005 515 N HN 0.589 nan 8.380 nan 0.000 0.550 516 L N 0.852 122.196 121.223 0.202 0.000 2.322 516 L HA 0.629 4.970 4.340 0.001 0.000 0.281 516 L C -0.732 176.355 176.870 0.362 0.000 1.014 516 L CA -0.938 54.034 54.840 0.219 0.000 0.815 516 L CB 0.973 43.089 42.059 0.095 0.000 1.247 516 L HN 0.213 nan 8.230 nan 0.000 0.421 517 Y N 4.561 125.011 120.300 0.249 0.000 2.446 517 Y HA 0.801 5.352 4.550 0.001 0.000 0.345 517 Y C -0.811 175.284 175.900 0.325 0.000 0.984 517 Y CA -0.620 57.648 58.100 0.279 0.000 1.058 517 Y CB 1.905 40.525 38.460 0.267 0.000 1.220 517 Y HN 0.756 nan 8.280 nan 0.000 0.455 518 A N 5.211 127.766 122.820 -0.442 0.000 2.539 518 A HA 0.814 5.135 4.320 0.001 0.000 0.296 518 A C -1.975 175.491 177.584 -0.196 0.000 1.073 518 A CA -0.524 51.373 52.037 -0.235 0.000 0.700 518 A CB 1.128 20.009 19.000 -0.198 0.000 1.296 518 A HN 0.891 nan 8.150 nan 0.000 0.405 519 F N -0.863 119.062 119.950 -0.040 0.000 2.686 519 F HA 0.823 5.351 4.527 0.001 0.000 0.311 519 F C -1.474 174.464 175.800 0.229 0.000 1.128 519 F CA -1.329 56.737 58.000 0.111 0.000 0.946 519 F CB 1.115 40.210 39.000 0.158 0.000 1.336 519 F HN 0.410 nan 8.300 nan 0.000 0.457 520 V N 2.376 122.406 119.914 0.193 0.000 2.656 520 V HA 0.617 4.738 4.120 0.001 0.000 0.307 520 V C -0.704 175.478 176.094 0.146 0.000 1.051 520 V CA -0.815 61.497 62.300 0.020 0.000 0.893 520 V CB 2.039 33.793 31.823 -0.116 0.000 0.999 520 V HN 0.729 nan 8.190 nan 0.000 0.426 521 R N 2.349 122.906 120.500 0.095 0.000 2.346 521 R HA 0.742 5.083 4.340 0.001 0.000 0.311 521 R C -0.661 175.643 176.300 0.008 0.000 0.983 521 R CA -0.382 55.773 56.100 0.091 0.000 0.880 521 R CB 1.736 32.091 30.300 0.092 0.000 1.100 521 R HN 0.759 nan 8.270 nan 0.000 0.453 522 T N 0.725 115.247 114.554 -0.054 0.000 2.916 522 T HA 0.443 4.793 4.350 0.001 0.000 0.298 522 T C -1.059 173.548 174.700 -0.155 0.000 1.031 522 T CA -0.678 61.301 62.100 -0.201 0.000 0.993 522 T CB 2.190 70.881 68.868 -0.294 0.000 1.045 522 T HN 0.294 nan 8.240 nan 0.000 0.454 523 V N 3.679 123.490 119.914 -0.171 0.000 2.711 523 V HA 0.494 4.615 4.120 0.001 0.000 0.304 523 V C -0.052 175.982 176.094 -0.101 0.000 1.097 523 V CA -0.158 62.078 62.300 -0.106 0.000 0.906 523 V CB 1.267 33.047 31.823 -0.071 0.000 1.015 523 V HN 1.082 nan 8.190 nan 0.000 0.427 524 Q N 3.091 122.847 119.800 -0.073 0.000 1.675 524 Q HA -0.250 4.090 4.340 0.001 0.000 0.365 524 Q C 0.050 176.014 176.000 -0.060 0.000 0.856 524 Q CA 2.221 57.996 55.803 -0.047 0.000 0.832 524 Q CB -0.802 27.921 28.738 -0.024 0.000 3.604 524 Q HN 0.916 nan 8.270 nan 0.000 0.678 525 D N 0.534 120.920 120.400 -0.024 0.000 2.360 525 D HA 0.023 4.663 4.640 0.001 0.000 0.210 525 D C 0.218 176.536 176.300 0.030 0.000 1.047 525 D CA 0.332 54.339 54.000 0.013 0.000 0.854 525 D CB 0.137 40.959 40.800 0.036 0.000 0.936 525 D HN 0.228 nan 8.370 nan 0.000 0.514 526 Q N 0.944 120.735 119.800 -0.015 0.000 2.314 526 Q HA 0.057 4.397 4.340 0.001 0.000 0.258 526 Q C -0.827 175.118 176.000 -0.092 0.000 0.954 526 Q CA 0.156 55.996 55.803 0.062 0.000 0.890 526 Q CB 0.648 29.459 28.738 0.121 0.000 1.210 526 Q HN 0.127 nan 8.270 nan 0.000 0.410 527 H N 2.416 121.576 119.070 0.150 0.000 2.667 527 H HA 0.454 5.011 4.556 0.001 0.000 0.353 527 H C -1.386 174.080 175.328 0.230 0.000 1.072 527 H CA -0.587 55.542 56.048 0.135 0.000 1.214 527 H CB 2.038 31.863 29.762 0.106 0.000 1.600 527 H HN 0.439 nan 8.280 nan 0.000 0.527 528 V N 2.327 122.399 119.914 0.263 0.000 2.482 528 V HA 0.425 4.546 4.120 0.001 0.000 0.295 528 V C 0.416 176.568 176.094 0.097 0.000 1.026 528 V CA -0.849 61.592 62.300 0.235 0.000 0.856 528 V CB 1.849 33.763 31.823 0.151 0.000 1.001 528 V HN 0.906 nan 8.190 nan 0.000 0.424 529 G N 3.172 112.038 108.800 0.109 0.000 2.379 529 G HA2 0.638 4.599 3.960 0.001 0.000 0.327 529 G HA3 0.638 4.599 3.960 0.001 0.000 0.327 529 G C -1.040 173.859 174.900 -0.001 0.000 1.145 529 G CA -0.502 44.628 45.100 0.049 0.000 0.905 529 G HN 0.558 nan 8.290 nan 0.000 0.466 530 V N 2.252 122.019 119.914 -0.245 0.000 2.448 530 V HA 0.424 4.545 4.120 0.001 0.000 0.295 530 V C -0.262 175.787 176.094 -0.075 0.000 1.025 530 V CA -0.732 61.438 62.300 -0.216 0.000 0.859 530 V CB 1.624 33.194 31.823 -0.422 0.000 0.988 530 V HN 0.535 nan 8.190 nan 0.000 0.431 531 V N 6.595 126.507 119.914 -0.003 0.000 2.384 531 V HA 0.510 4.630 4.120 0.001 0.000 0.287 531 V C -0.319 175.835 176.094 0.101 0.000 1.020 531 V CA -0.426 61.856 62.300 -0.030 0.000 0.850 531 V CB 1.522 33.247 31.823 -0.163 0.000 0.987 531 V HN 0.662 nan 8.190 nan 0.000 0.436 532 L N 4.250 125.590 121.223 0.195 0.000 2.325 532 L HA 0.529 4.870 4.340 0.001 0.000 0.281 532 L C -0.072 176.921 176.870 0.206 0.000 1.004 532 L CA -0.443 54.565 54.840 0.279 0.000 0.823 532 L CB 1.612 43.968 42.059 0.495 0.000 1.236 532 L HN 0.546 nan 8.230 nan 0.000 0.415 533 N N 2.172 120.954 118.700 0.137 0.000 2.767 533 N HA 0.067 4.808 4.740 0.001 0.000 0.238 533 N C -0.122 175.426 175.510 0.063 0.000 1.083 533 N CA -0.195 52.891 53.050 0.060 0.000 0.964 533 N CB 0.243 38.722 38.487 -0.012 0.000 1.252 533 N HN 0.383 nan 8.380 nan 0.000 0.512 534 N N 2.614 121.346 118.700 0.055 0.000 3.178 534 N HA 0.125 4.865 4.740 0.001 0.000 0.300 534 N C -1.071 174.427 175.510 -0.020 0.000 1.242 534 N CA 0.088 53.145 53.050 0.013 0.000 1.192 534 N CB -0.186 38.029 38.487 -0.453 0.000 1.463 534 N HN 0.338 nan 8.380 nan 0.000 0.539 535 R N -0.656 119.722 120.500 -0.204 0.000 2.643 535 R HA 0.368 4.708 4.340 0.001 0.000 0.269 535 R C 0.328 176.070 176.300 -0.931 0.000 1.037 535 R CA -0.696 55.192 56.100 -0.353 0.000 0.894 535 R CB 1.169 31.347 30.300 -0.204 0.000 1.238 535 R HN 0.267 nan 8.270 nan 0.000 0.459 536 G N 1.153 109.570 108.800 -0.637 0.000 3.332 536 G HA2 0.032 3.993 3.960 0.001 0.000 0.242 536 G HA3 0.032 3.993 3.960 0.001 0.000 0.242 536 G C 0.046 174.756 174.900 -0.317 0.000 1.276 536 G CA 0.299 45.053 45.100 -0.577 0.000 0.988 536 G HN 0.229 nan 8.290 nan 0.000 0.517 537 E N -0.096 119.919 120.200 -0.308 0.000 2.367 537 E HA 0.272 4.623 4.350 0.001 0.000 0.273 537 E C -0.769 175.730 176.600 -0.168 0.000 0.903 537 E CA -0.808 55.484 56.400 -0.179 0.000 0.764 537 E CB 2.031 31.656 29.700 -0.124 0.000 1.252 537 E HN 0.153 nan 8.360 nan 0.000 0.446 538 K N 2.115 122.446 120.400 -0.115 0.000 2.368 538 K HA 0.139 4.460 4.320 0.001 0.000 0.282 538 K C -0.494 176.055 176.600 -0.084 0.000 1.035 538 K CA 0.248 56.478 56.287 -0.094 0.000 0.973 538 K CB 0.544 33.004 32.500 -0.067 0.000 0.957 538 K HN 0.342 nan 8.250 nan 0.000 0.474 539 Q N 1.990 121.740 119.800 -0.083 0.000 2.456 539 Q HA 0.356 4.697 4.340 0.001 0.000 0.283 539 Q C -1.201 174.753 176.000 -0.076 0.000 1.084 539 Q CA -1.109 54.648 55.803 -0.076 0.000 0.801 539 Q CB 2.611 31.302 28.738 -0.078 0.000 1.434 539 Q HN 0.570 nan 8.270 nan 0.000 0.419 540 T N 0.908 115.418 114.554 -0.074 0.000 2.876 540 T HA 0.634 4.984 4.350 0.001 0.000 0.289 540 T C -0.596 174.040 174.700 -0.106 0.000 1.014 540 T CA -0.651 61.398 62.100 -0.085 0.000 0.986 540 T CB 1.472 70.302 68.868 -0.064 0.000 1.021 540 T HN 0.471 nan 8.240 nan 0.000 0.458 541 V N 0.641 120.462 119.914 -0.155 0.000 3.040 541 V HA 0.731 4.851 4.120 0.001 0.000 0.312 541 V C -1.221 174.739 176.094 -0.222 0.000 1.115 541 V CA -1.269 60.900 62.300 -0.218 0.000 0.998 541 V CB 1.937 33.524 31.823 -0.393 0.000 1.042 541 V HN 0.799 nan 8.190 nan 0.000 0.433 542 L N 3.183 124.283 121.223 -0.205 0.000 2.301 542 L HA 0.558 4.898 4.340 0.001 0.000 0.278 542 L C -0.741 176.020 176.870 -0.183 0.000 1.022 542 L CA -0.235 54.517 54.840 -0.147 0.000 0.854 542 L CB 1.314 43.341 42.059 -0.053 0.000 1.226 542 L HN 0.546 nan 8.230 nan 0.000 0.429 543 L N 3.775 124.846 121.223 -0.253 0.000 2.334 543 L HA 0.402 4.743 4.340 0.001 0.000 0.275 543 L C -0.101 176.791 176.870 0.036 0.000 1.036 543 L CA -0.868 53.815 54.840 -0.262 0.000 0.807 543 L CB 1.586 43.204 42.059 -0.734 0.000 1.231 543 L HN 0.516 nan 8.230 nan 0.000 0.438 544 Q N 3.157 123.105 119.800 0.246 0.000 2.241 544 Q HA 0.492 4.833 4.340 0.001 0.000 0.254 544 Q C -0.701 175.458 176.000 0.265 0.000 0.917 544 Q CA -0.743 55.199 55.803 0.231 0.000 0.919 544 Q CB 1.945 30.800 28.738 0.194 0.000 1.237 544 Q HN 0.430 nan 8.270 nan 0.000 0.434 545 V N -1.198 118.804 119.914 0.147 0.000 2.722 545 V HA 0.319 4.439 4.120 0.001 0.000 0.260 545 V C -2.609 173.575 176.094 0.150 0.000 0.941 545 V CA -1.764 60.599 62.300 0.105 0.000 0.888 545 V CB 1.070 32.901 31.823 0.013 0.000 1.059 545 V HN 0.644 nan 8.190 nan 0.000 0.486 546 P HA 0.132 nan 4.420 nan 0.000 0.264 546 P C 0.857 178.207 177.300 0.083 0.000 1.193 546 P CA 0.407 63.553 63.100 0.076 0.000 0.763 546 P CB 1.341 33.065 31.700 0.041 0.000 0.810 547 E N 1.750 121.994 120.200 0.073 0.000 2.301 547 E HA -0.247 4.104 4.350 0.001 0.000 0.202 547 E C 1.966 178.562 176.600 -0.007 0.000 1.017 547 E CA 2.162 58.586 56.400 0.039 0.000 0.831 547 E CB -0.271 29.442 29.700 0.021 0.000 0.742 547 E HN 0.594 nan 8.360 nan 0.000 0.491 548 S N -0.663 115.035 115.700 -0.003 0.000 2.399 548 S HA -0.116 4.354 4.470 0.001 0.000 0.231 548 S C 1.989 176.557 174.600 -0.053 0.000 1.022 548 S CA 0.967 59.154 58.200 -0.022 0.000 0.983 548 S CB -0.315 62.880 63.200 -0.009 0.000 0.803 548 S HN 0.319 nan 8.310 nan 0.000 0.480 549 G N 0.506 109.268 108.800 -0.064 0.000 3.233 549 G HA2 0.525 4.485 3.960 0.001 0.000 0.227 549 G HA3 0.525 4.485 3.960 0.001 0.000 0.227 549 G C 0.585 175.399 174.900 -0.144 0.000 1.175 549 G CA -0.043 44.964 45.100 -0.155 0.000 0.781 549 G HN 1.163 nan 8.290 nan 0.000 0.542 550 G N 0.069 108.760 108.800 -0.183 0.000 2.440 550 G HA2 0.069 4.029 3.960 0.001 0.000 0.684 550 G HA3 0.069 4.029 3.960 0.001 0.000 0.684 550 G C 0.194 174.831 174.900 -0.440 0.000 1.309 550 G CA -0.014 44.810 45.100 -0.460 0.000 0.931 550 G HN 0.647 nan 8.290 nan 0.000 0.612 551 K N -1.978 118.117 120.400 -0.508 0.000 2.464 551 K HA 0.432 4.753 4.320 0.001 0.000 0.206 551 K C 0.700 177.224 176.600 -0.127 0.000 1.186 551 K CA 0.803 56.993 56.287 -0.161 0.000 0.990 551 K CB 1.061 33.530 32.500 -0.051 0.000 1.003 551 K HN 1.205 nan 8.250 nan 0.000 0.562 552 T N -1.829 112.418 114.554 -0.513 0.000 2.916 552 T HA 0.481 4.832 4.350 0.001 0.000 0.298 552 T C -1.270 173.097 174.700 -0.554 0.000 1.031 552 T CA -0.684 61.237 62.100 -0.299 0.000 0.993 552 T CB 1.254 69.993 68.868 -0.216 0.000 1.045 552 T HN 0.227 nan 8.240 nan 0.000 0.454 553 W N 1.894 123.102 121.300 -0.154 0.000 2.882 553 W HA 0.694 5.354 4.660 0.001 0.000 0.345 553 W C -1.316 175.137 176.519 -0.110 0.000 1.125 553 W CA -1.087 56.189 57.345 -0.115 0.000 1.167 553 W CB 2.529 31.976 29.460 -0.022 0.000 1.431 553 W HN 0.578 nan 8.180 nan 0.000 0.543 554 L N 2.440 123.752 121.223 0.148 0.000 2.356 554 L HA 0.263 4.604 4.340 0.001 0.000 0.277 554 L C -0.351 176.644 176.870 0.208 0.000 0.996 554 L CA -0.154 54.760 54.840 0.124 0.000 0.822 554 L CB 1.145 43.258 42.059 0.090 0.000 1.256 554 L HN 0.200 nan 8.230 nan 0.000 0.413 555 D N 3.397 123.891 120.400 0.157 0.000 2.359 555 D HA 0.059 4.700 4.640 0.001 0.000 0.250 555 D C 0.960 177.349 176.300 0.150 0.000 1.264 555 D CA 0.005 54.095 54.000 0.149 0.000 0.911 555 D CB 0.791 41.653 40.800 0.102 0.000 1.056 555 D HN 0.696 nan 8.370 nan 0.000 0.499 556 C N 3.427 122.833 119.300 0.176 0.000 2.400 556 C HA -0.098 4.363 4.460 0.001 0.000 0.291 556 C C 2.551 177.605 174.990 0.106 0.000 1.372 556 C CA 0.194 59.300 59.018 0.146 0.000 1.800 556 C CB -0.952 26.860 27.740 0.121 0.000 1.869 556 C HN 0.683 nan 8.230 nan 0.000 0.533 557 L N 0.242 121.531 121.223 0.110 0.000 2.307 557 L HA -0.010 4.331 4.340 0.001 0.000 0.211 557 L C 2.567 179.493 176.870 0.092 0.000 1.099 557 L CA 1.761 56.667 54.840 0.109 0.000 0.816 557 L CB -0.131 42.006 42.059 0.130 0.000 0.952 557 L HN 0.537 nan 8.230 nan 0.000 0.455 558 T N -6.446 108.159 114.554 0.084 0.000 2.958 558 T HA 0.267 4.617 4.350 0.001 0.000 0.256 558 T C 1.394 176.134 174.700 0.067 0.000 0.983 558 T CA 0.541 62.681 62.100 0.067 0.000 0.924 558 T CB 1.095 69.996 68.868 0.056 0.000 1.136 558 T HN 0.271 nan 8.240 nan 0.000 0.506 559 G N 1.803 110.651 108.800 0.080 0.000 2.199 559 G HA2 -0.296 3.664 3.960 0.001 0.000 0.254 559 G HA3 -0.296 3.664 3.960 0.001 0.000 0.254 559 G C -0.077 174.862 174.900 0.065 0.000 0.982 559 G CA 0.336 45.483 45.100 0.078 0.000 0.632 559 G HN 0.964 nan 8.290 nan 0.000 0.529 560 E N 1.084 121.319 120.200 0.059 0.000 2.452 560 E HA 0.290 4.641 4.350 0.001 0.000 0.261 560 E C 0.108 176.729 176.600 0.035 0.000 0.987 560 E CA 0.287 56.715 56.400 0.046 0.000 0.926 560 E CB 0.230 29.956 29.700 0.043 0.000 0.934 560 E HN 0.472 nan 8.360 nan 0.000 0.452 561 E N 4.350 124.554 120.200 0.006 0.000 2.155 561 E HA 0.305 4.656 4.350 0.001 0.000 0.264 561 E C -1.002 175.499 176.600 -0.165 0.000 0.886 561 E CA -0.905 55.452 56.400 -0.072 0.000 0.752 561 E CB 1.241 30.892 29.700 -0.081 0.000 1.133 561 E HN 0.404 nan 8.360 nan 0.000 0.414 562 V N 1.574 121.392 119.914 -0.161 0.000 2.850 562 V HA 0.591 4.711 4.120 0.001 0.000 0.315 562 V C -0.547 175.381 176.094 -0.275 0.000 1.064 562 V CA -0.701 61.521 62.300 -0.130 0.000 0.979 562 V CB 1.732 33.574 31.823 0.032 0.000 1.039 562 V HN 0.665 nan 8.190 nan 0.000 0.452 563 H N 1.501 120.657 119.070 0.144 0.000 2.538 563 H HA 0.612 5.169 4.556 0.001 0.000 0.353 563 H C 0.134 175.568 175.328 0.178 0.000 1.109 563 H CA -0.054 56.086 56.048 0.153 0.000 1.192 563 H CB 2.277 32.086 29.762 0.079 0.000 1.555 563 H HN 1.101 nan 8.280 nan 0.000 0.518 564 G N 1.984 111.000 108.800 0.360 0.000 2.338 564 G HA2 0.416 4.376 3.960 0.001 0.000 0.298 564 G HA3 0.416 4.376 3.960 0.001 0.000 0.298 564 G C -0.489 174.528 174.900 0.195 0.000 1.140 564 G CA -0.798 44.473 45.100 0.285 0.000 0.860 564 G HN 0.545 nan 8.290 nan 0.000 0.470 565 K N 1.780 122.259 120.400 0.133 0.000 2.426 565 K HA 0.483 4.804 4.320 0.001 0.000 0.254 565 K C -0.291 176.352 176.600 0.072 0.000 0.936 565 K CA -0.887 55.454 56.287 0.090 0.000 0.801 565 K CB 1.964 34.504 32.500 0.067 0.000 1.139 565 K HN 0.538 nan 8.250 nan 0.000 0.424 566 Q N 0.936 120.774 119.800 0.063 0.000 2.478 566 Q HA -0.212 4.129 4.340 0.001 0.000 0.286 566 Q C 0.517 176.554 176.000 0.062 0.000 1.299 566 Q CA 0.770 56.604 55.803 0.052 0.000 0.826 566 Q CB -1.861 26.901 28.738 0.040 0.000 1.199 566 Q HN 1.308 nan 8.270 nan 0.000 0.451 567 G N -0.743 108.106 108.800 0.081 0.000 2.153 567 G HA2 -0.346 3.615 3.960 0.001 0.000 0.252 567 G HA3 -0.346 3.615 3.960 0.001 0.000 0.252 567 G C -0.057 174.900 174.900 0.094 0.000 0.994 567 G CA 0.845 46.000 45.100 0.092 0.000 0.698 567 G HN 0.403 nan 8.290 nan 0.000 0.521 568 Q N -1.494 118.358 119.800 0.087 0.000 2.433 568 Q HA 0.766 5.107 4.340 0.001 0.000 0.279 568 Q C -1.303 174.730 176.000 0.056 0.000 1.105 568 Q CA -1.079 54.762 55.803 0.064 0.000 0.815 568 Q CB 2.374 31.137 28.738 0.041 0.000 1.403 568 Q HN 0.258 nan 8.270 nan 0.000 0.435 569 L N 1.793 123.019 121.223 0.004 0.000 2.406 569 L HA 0.396 4.737 4.340 0.001 0.000 0.270 569 L C -1.173 175.649 176.870 -0.079 0.000 0.982 569 L CA -0.171 54.651 54.840 -0.030 0.000 0.843 569 L CB 1.501 43.490 42.059 -0.116 0.000 1.225 569 L HN 0.410 nan 8.230 nan 0.000 0.412 570 K N 4.128 124.504 120.400 -0.039 0.000 2.297 570 K HA 0.568 4.889 4.320 0.001 0.000 0.286 570 K C -1.477 175.078 176.600 -0.075 0.000 1.053 570 K CA -0.438 55.814 56.287 -0.058 0.000 0.940 570 K CB 0.625 33.113 32.500 -0.021 0.000 1.019 570 K HN 0.522 nan 8.250 nan 0.000 0.475 571 L N 2.996 124.149 121.223 -0.117 0.000 2.410 571 L HA 0.336 4.677 4.340 0.001 0.000 0.270 571 L C -0.833 175.975 176.870 -0.103 0.000 0.983 571 L CA -0.218 54.552 54.840 -0.116 0.000 0.822 571 L CB 2.438 44.389 42.059 -0.179 0.000 1.285 571 L HN 0.565 nan 8.230 nan 0.000 0.409 572 T N 4.627 119.138 114.554 -0.071 0.000 2.791 572 T HA 0.625 4.976 4.350 0.001 0.000 0.288 572 T C -0.664 174.002 174.700 -0.056 0.000 0.999 572 T CA -0.474 61.589 62.100 -0.062 0.000 0.952 572 T CB 0.737 69.580 68.868 -0.042 0.000 0.938 572 T HN 0.095 nan 8.240 nan 0.000 0.444 573 L N 3.343 124.528 121.223 -0.065 0.000 2.325 573 L HA 0.575 4.915 4.340 0.001 0.000 0.278 573 L C 0.830 177.668 176.870 -0.052 0.000 1.023 573 L CA -0.699 54.111 54.840 -0.051 0.000 0.811 573 L CB 1.205 43.233 42.059 -0.053 0.000 1.249 573 L HN 0.527 nan 8.230 nan 0.000 0.431 574 R N 1.883 122.361 120.500 -0.038 0.000 2.583 574 R HA 0.375 4.716 4.340 0.001 0.000 0.268 574 R C -2.246 174.012 176.300 -0.069 0.000 1.101 574 R CA -1.762 54.311 56.100 -0.046 0.000 1.180 574 R CB -0.249 30.037 30.300 -0.024 0.000 1.128 574 R HN 0.337 nan 8.270 nan 0.000 0.568 575 P HA -0.128 nan 4.420 nan 0.000 0.258 575 P C -0.883 176.362 177.300 -0.092 0.000 1.172 575 P CA 0.843 63.809 63.100 -0.222 0.000 0.762 575 P CB -0.111 31.474 31.700 -0.193 0.000 0.764 576 Y N -0.767 119.533 120.300 0.000 0.000 4.236 576 Y HA -0.300 4.251 4.550 0.001 0.000 0.220 576 Y C 1.056 176.974 175.900 0.031 0.000 1.115 576 Y CA 0.152 58.264 58.100 0.019 0.000 1.811 576 Y CB -1.545 36.925 38.460 0.017 0.000 1.581 576 Y HN 0.461 nan 8.280 nan 0.000 0.643 577 Q N 1.339 121.204 119.800 0.109 0.000 2.288 577 Q HA 0.508 4.849 4.340 0.001 0.000 0.254 577 Q C 0.478 176.542 176.000 0.106 0.000 0.932 577 Q CA 0.407 56.260 55.803 0.083 0.000 0.902 577 Q CB 1.420 30.177 28.738 0.032 0.000 1.203 577 Q HN 0.379 nan 8.270 nan 0.000 0.415 578 G N 3.140 112.015 108.800 0.125 0.000 2.453 578 G HA2 0.658 4.618 3.960 0.001 0.000 0.323 578 G HA3 0.658 4.618 3.960 0.001 0.000 0.323 578 G C -0.995 173.975 174.900 0.117 0.000 1.198 578 G CA -0.612 44.578 45.100 0.151 0.000 0.959 578 G HN 0.593 nan 8.290 nan 0.000 0.482 579 M N 1.048 120.705 119.600 0.095 0.000 2.464 579 M HA 0.460 4.941 4.480 0.001 0.000 0.308 579 M C -1.037 175.312 176.300 0.081 0.000 1.127 579 M CA -0.493 54.853 55.300 0.075 0.000 0.913 579 M CB 2.887 35.506 32.600 0.032 0.000 1.689 579 M HN 0.257 nan 8.290 nan 0.000 0.445 580 I N 4.447 125.077 120.570 0.100 0.000 2.502 580 I HA 0.263 4.434 4.170 0.001 0.000 0.276 580 I C -0.971 175.243 176.117 0.162 0.000 1.057 580 I CA -0.628 60.734 61.300 0.104 0.000 1.163 580 I CB 0.855 38.911 38.000 0.093 0.000 1.288 580 I HN 0.376 nan 8.210 nan 0.000 0.479 581 L N 5.007 126.341 121.223 0.185 0.000 2.278 581 L HA 0.219 4.559 4.340 0.001 0.000 0.287 581 L C -0.491 176.667 176.870 0.480 0.000 1.072 581 L CA 0.054 55.078 54.840 0.306 0.000 0.819 581 L CB 0.504 42.694 42.059 0.217 0.000 1.176 581 L HN 0.593 nan 8.230 nan 0.000 0.435 582 W N 5.830 127.286 121.300 0.260 0.000 2.433 582 W HA 0.284 4.944 4.660 0.001 0.000 0.315 582 W C 1.006 177.593 176.519 0.114 0.000 1.087 582 W CA -1.076 56.378 57.345 0.182 0.000 1.205 582 W CB 0.860 30.369 29.460 0.083 0.000 1.288 582 W HN 0.638 nan 8.180 nan 0.000 0.504 583 N N 3.733 122.226 118.700 -0.345 0.000 2.313 583 N HA 0.084 4.825 4.740 0.001 0.000 0.207 583 N C 1.163 176.044 175.510 -1.048 0.000 1.141 583 N CA 0.498 53.080 53.050 -0.780 0.000 0.830 583 N CB -0.222 37.936 38.487 -0.548 0.000 1.008 583 N HN 0.923 nan 8.380 nan 0.000 0.481 584 G N 0.346 107.852 108.800 -2.156 0.000 2.187 584 G HA2 -0.351 3.609 3.960 0.001 0.000 0.261 584 G HA3 -0.351 3.609 3.960 0.001 0.000 0.261 584 G C 0.130 174.697 174.900 -0.556 0.000 1.000 584 G CA 0.500 44.443 45.100 -1.929 0.000 0.718 584 G HN 0.530 nan 8.290 nan 0.000 0.519 585 R N 0.000 120.414 120.500 -0.144 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.150 56.100 0.083 0.000 0.921 585 R CB 0.000 30.322 30.300 0.037 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535