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 1yir_1_C DATA FIRST_RESID 3 DATA SEQUENCE LAESAFSERI VQNLLDTDFY KLTMMQAVLH NYPNAEVEWE FRCRNQEDLR DATA SEQUENCE LYLPAIREQL EYLAGLAISD EQLAFLERIP FLAPDFIRFL GLFRFNPRYV DATA SEQUENCE QTGIENDEFF LRLKGPWLHV ILFEVPLLAM ISEVRNRARY PAATVEQARE DATA SEQUENCE RLQEKFDWLR REASAEELAG FKMADFGTRR RFSYRVHEAV VSGLKEDFPG DATA SEQUENCE CFVGTSNVHL ARKLDLKPLG TMAHEWLMAH QQLGPRLIDS QSAALDCWVR DATA SEQUENCE EYRGLLGIAL TDCITTDAFL RDFDLYFAKL FDGLRHDSGD PLLWAEKTIA DATA SEQUENCE HYLKLGIDPL TKTLVFSDGL DLPRALKIYR ALQGRINVSF GIGTHFTCDL DATA SEQUENCE PGVEPMNIVV KMSACNGHPV AKISDTPXXX XXXXPDFIHY LKHVFQV 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.871 176.870 0.001 0.000 1.165 3 L CA 0.000 54.843 54.840 0.005 0.000 0.813 3 L CB 0.000 42.060 42.059 0.002 0.000 0.961 4 A N 1.501 124.321 122.820 -0.001 0.000 2.309 4 A HA 0.464 4.785 4.320 0.001 0.000 0.290 4 A C 0.270 177.851 177.584 -0.005 0.000 1.206 4 A CA -0.117 51.914 52.037 -0.009 0.000 0.850 4 A CB 0.036 19.026 19.000 -0.017 0.000 1.118 4 A HN 0.294 nan 8.150 nan 0.000 0.523 5 E N 2.647 122.842 120.200 -0.009 0.000 2.529 5 E HA 0.071 4.421 4.350 0.001 0.000 0.259 5 E C 0.426 177.021 176.600 -0.008 0.000 0.966 5 E CA 0.167 56.565 56.400 -0.002 0.000 0.937 5 E CB 0.425 30.119 29.700 -0.008 0.000 0.923 5 E HN 0.663 nan 8.360 nan 0.000 0.468 6 S N 2.773 118.485 115.700 0.020 0.000 2.573 6 S HA 0.158 4.628 4.470 0.001 0.000 0.277 6 S C 0.929 175.502 174.600 -0.046 0.000 1.346 6 S CA 0.203 58.421 58.200 0.030 0.000 1.034 6 S CB 1.115 64.389 63.200 0.124 0.000 0.879 6 S HN 0.617 nan 8.310 nan 0.000 0.528 7 A N 3.845 126.549 122.820 -0.193 0.000 2.119 7 A HA 0.254 4.574 4.320 0.001 0.000 0.216 7 A C 0.273 177.647 177.584 -0.350 0.000 1.152 7 A CA 0.428 52.266 52.037 -0.333 0.000 0.708 7 A CB -0.379 18.339 19.000 -0.471 0.000 0.805 7 A HN 0.707 nan 8.150 nan 0.000 0.460 8 F N 0.744 120.772 119.950 0.129 0.000 2.415 8 F HA 0.429 4.956 4.527 0.001 0.000 0.348 8 F C 1.105 176.949 175.800 0.073 0.000 1.119 8 F CA -0.409 57.646 58.000 0.092 0.000 1.069 8 F CB 1.387 40.419 39.000 0.053 0.000 1.124 8 F HN 0.117 nan 8.300 nan 0.000 0.472 9 S N 1.500 117.353 115.700 0.255 0.000 2.607 9 S HA 0.209 4.679 4.470 0.001 0.000 0.272 9 S C 1.155 175.830 174.600 0.124 0.000 1.166 9 S CA -0.201 58.108 58.200 0.182 0.000 1.021 9 S CB 0.663 64.004 63.200 0.236 0.000 1.113 9 S HN 0.746 nan 8.310 nan 0.000 0.531 10 E N 0.687 120.930 120.200 0.072 0.000 2.028 10 E HA -0.036 4.314 4.350 0.001 0.000 0.191 10 E C 0.516 177.084 176.600 -0.053 0.000 0.988 10 E CA 0.518 56.924 56.400 0.010 0.000 0.799 10 E CB -0.206 29.495 29.700 0.001 0.000 0.755 10 E HN 0.464 nan 8.360 nan 0.000 0.447 11 R N 0.185 120.641 120.500 -0.073 0.000 2.643 11 R HA 0.455 4.795 4.340 0.001 0.000 0.272 11 R C 1.173 177.400 176.300 -0.121 0.000 0.995 11 R CA -0.460 55.527 56.100 -0.188 0.000 1.032 11 R CB 1.394 31.570 30.300 -0.208 0.000 1.126 11 R HN 0.103 nan 8.270 nan 0.000 0.505 12 I N 0.311 120.775 120.570 -0.176 0.000 2.834 12 I HA 0.014 4.185 4.170 0.001 0.000 0.239 12 I C 0.453 176.556 176.117 -0.024 0.000 1.073 12 I CA 0.440 61.709 61.300 -0.052 0.000 1.459 12 I CB 0.234 38.189 38.000 -0.075 0.000 1.288 12 I HN 0.162 nan 8.210 nan 0.000 0.455 13 V N 3.295 123.218 119.914 0.016 0.000 2.389 13 V HA 0.052 4.173 4.120 0.001 0.000 0.264 13 V C 0.931 177.042 176.094 0.029 0.000 1.049 13 V CA -0.267 62.073 62.300 0.067 0.000 0.932 13 V CB 1.063 32.986 31.823 0.167 0.000 1.011 13 V HN 0.336 nan 8.190 nan 0.000 0.475 14 Q N 3.796 123.442 119.800 -0.256 0.000 2.084 14 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 14 Q C 0.650 176.552 176.000 -0.163 0.000 0.978 14 Q CA 1.643 57.215 55.803 -0.386 0.000 0.844 14 Q CB -0.102 28.046 28.738 -0.984 0.000 0.898 14 Q HN 1.056 nan 8.270 nan 0.000 0.426 15 N N -3.286 115.342 118.700 -0.119 0.000 3.427 15 N HA 0.007 4.747 4.740 0.001 0.000 0.313 15 N C -0.251 175.278 175.510 0.032 0.000 1.491 15 N CA -0.554 52.477 53.050 -0.032 0.000 0.870 15 N CB -0.253 38.214 38.487 -0.034 0.000 1.763 15 N HN -0.133 nan 8.380 nan 0.000 0.502 16 L N -0.595 120.663 121.223 0.058 0.000 2.456 16 L HA 0.294 4.634 4.340 0.001 0.000 0.224 16 L C 1.041 177.978 176.870 0.111 0.000 1.148 16 L CA 1.074 55.974 54.840 0.100 0.000 0.825 16 L CB -0.842 41.251 42.059 0.057 0.000 0.937 16 L HN 0.651 nan 8.230 nan 0.000 0.450 17 L N -1.385 119.906 121.223 0.113 0.000 2.529 17 L HA 0.119 4.459 4.340 0.001 0.000 0.223 17 L C 0.651 177.637 176.870 0.192 0.000 1.113 17 L CA 0.425 55.363 54.840 0.164 0.000 0.861 17 L CB -0.433 41.722 42.059 0.160 0.000 1.012 17 L HN 0.072 nan 8.230 nan 0.000 0.461 18 D N 0.429 120.904 120.400 0.125 0.000 2.545 18 D HA 0.169 4.809 4.640 0.001 0.000 0.227 18 D C 0.026 176.436 176.300 0.182 0.000 1.150 18 D CA 0.438 54.511 54.000 0.121 0.000 1.046 18 D CB 0.008 40.789 40.800 -0.033 0.000 1.098 18 D HN 0.077 nan 8.370 nan 0.000 0.502 19 T N 0.921 115.612 114.554 0.228 0.000 2.677 19 T HA 0.138 4.488 4.350 0.001 0.000 0.305 19 T C -1.724 173.142 174.700 0.276 0.000 1.569 19 T CA -0.822 61.422 62.100 0.241 0.000 0.984 19 T CB 0.875 69.874 68.868 0.218 0.000 1.629 19 T HN -0.071 nan 8.240 nan 0.000 0.494 20 D N 1.586 122.160 120.400 0.290 0.000 2.308 20 D HA 0.264 4.904 4.640 0.001 0.000 0.251 20 D C 0.836 177.376 176.300 0.399 0.000 1.127 20 D CA -0.197 53.985 54.000 0.303 0.000 0.876 20 D CB 0.943 41.890 40.800 0.245 0.000 1.176 20 D HN 0.503 nan 8.370 nan 0.000 0.446 21 F N 2.275 122.344 119.950 0.198 0.000 2.120 21 F HA -0.323 4.204 4.527 0.000 0.000 0.300 21 F C 2.108 178.078 175.800 0.283 0.000 1.095 21 F CA 1.332 59.463 58.000 0.218 0.000 1.249 21 F CB -0.076 39.028 39.000 0.173 0.000 0.995 21 F HN 0.589 nan 8.300 nan 0.000 0.480 22 Y N -0.810 119.482 120.300 -0.014 0.000 2.574 22 Y HA -0.054 4.497 4.550 0.000 0.000 0.294 22 Y C 1.817 177.659 175.900 -0.096 0.000 1.142 22 Y CA 0.145 58.163 58.100 -0.136 0.000 1.314 22 Y CB -0.587 37.807 38.460 -0.110 0.000 0.991 22 Y HN -0.067 nan 8.280 nan 0.000 0.555 23 K N 0.437 120.905 120.400 0.113 0.000 2.167 23 K HA -0.048 4.272 4.320 0.001 0.000 0.203 23 K C 1.759 178.328 176.600 -0.052 0.000 1.052 23 K CA 0.512 56.762 56.287 -0.061 0.000 0.956 23 K CB -0.047 32.490 32.500 0.061 0.000 0.735 23 K HN 0.343 nan 8.250 nan 0.000 0.451 24 L N 1.138 122.343 121.223 -0.029 0.000 2.023 24 L HA -0.118 4.222 4.340 0.001 0.000 0.205 24 L C 2.653 179.400 176.870 -0.205 0.000 1.073 24 L CA 2.087 56.925 54.840 -0.003 0.000 0.745 24 L CB -1.534 40.561 42.059 0.060 0.000 0.900 24 L HN 0.301 nan 8.230 nan 0.000 0.435 25 T N -3.247 111.092 114.554 -0.359 0.000 2.759 25 T HA -0.304 4.046 4.350 0.001 0.000 0.269 25 T C 1.910 176.492 174.700 -0.197 0.000 1.042 25 T CA 1.748 63.645 62.100 -0.338 0.000 1.140 25 T CB -0.476 68.128 68.868 -0.440 0.000 0.864 25 T HN 0.281 nan 8.240 nan 0.000 0.455 26 M N 0.081 119.614 119.600 -0.112 0.000 2.156 26 M HA 0.132 4.613 4.480 0.001 0.000 0.264 26 M C 2.479 178.622 176.300 -0.261 0.000 1.067 26 M CA 1.556 56.803 55.300 -0.089 0.000 1.131 26 M CB -0.286 32.268 32.600 -0.077 0.000 1.368 26 M HN 0.345 nan 8.290 nan 0.000 0.416 27 M N -0.014 119.413 119.600 -0.288 0.000 2.149 27 M HA -0.296 4.184 4.480 0.001 0.000 0.261 27 M C 2.156 178.129 176.300 -0.544 0.000 1.064 27 M CA 2.046 57.145 55.300 -0.335 0.000 1.102 27 M CB -0.312 32.213 32.600 -0.124 0.000 1.369 27 M HN 0.468 nan 8.290 nan 0.000 0.408 28 Q N -0.100 119.127 119.800 -0.954 0.000 2.079 28 Q HA -0.164 4.176 4.340 0.001 0.000 0.200 28 Q C 1.887 177.347 176.000 -0.899 0.000 0.974 28 Q CA 1.784 56.764 55.803 -1.372 0.000 0.840 28 Q CB -0.211 27.521 28.738 -1.677 0.000 0.898 28 Q HN 0.665 nan 8.270 nan 0.000 0.430 29 A N -0.012 122.438 122.820 -0.616 0.000 1.933 29 A HA -0.130 4.190 4.320 0.001 0.000 0.218 29 A C 2.178 179.684 177.584 -0.129 0.000 1.175 29 A CA 1.512 53.307 52.037 -0.403 0.000 0.628 29 A CB -0.623 18.090 19.000 -0.478 0.000 0.814 29 A HN 0.318 nan 8.150 nan 0.000 0.444 30 V N 0.126 119.918 119.914 -0.203 0.000 2.358 30 V HA -0.177 3.943 4.120 0.001 0.000 0.246 30 V C 2.455 178.440 176.094 -0.182 0.000 1.047 30 V CA 1.597 63.787 62.300 -0.184 0.000 1.035 30 V CB -0.632 30.827 31.823 -0.607 0.000 0.658 30 V HN 0.636 nan 8.190 nan 0.000 0.452 31 L N 0.132 121.156 121.223 -0.331 0.000 2.046 31 L HA -0.214 4.126 4.340 0.001 0.000 0.208 31 L C 2.323 179.126 176.870 -0.113 0.000 1.077 31 L CA 2.307 56.965 54.840 -0.303 0.000 0.747 31 L CB -1.131 40.664 42.059 -0.440 0.000 0.896 31 L HN 0.492 nan 8.230 nan 0.000 0.432 32 H N -1.025 117.919 119.070 -0.211 0.000 2.470 32 H HA 0.013 4.569 4.556 0.000 0.000 0.289 32 H C 1.462 176.672 175.328 -0.196 0.000 1.033 32 H CA 0.952 56.885 56.048 -0.192 0.000 1.331 32 H CB 0.573 30.192 29.762 -0.239 0.000 1.414 32 H HN 0.487 nan 8.280 nan 0.000 0.545 33 N N -0.430 118.199 118.700 -0.117 0.000 2.460 33 N HA -0.011 4.729 4.740 0.001 0.000 0.193 33 N C -0.515 174.595 175.510 -0.666 0.000 1.080 33 N CA 0.474 53.273 53.050 -0.418 0.000 0.869 33 N CB 0.941 39.118 38.487 -0.516 0.000 1.201 33 N HN 0.289 nan 8.380 nan 0.000 0.457 34 Y N 0.904 121.259 120.300 0.093 0.000 2.501 34 Y HA 0.321 4.871 4.550 0.000 0.000 0.331 34 Y C -1.848 174.107 175.900 0.092 0.000 0.950 34 Y CA -1.379 56.788 58.100 0.111 0.000 1.120 34 Y CB 1.119 39.694 38.460 0.193 0.000 1.154 34 Y HN -0.021 nan 8.280 nan 0.000 0.630 35 P HA -0.203 nan 4.420 nan 0.000 0.218 35 P C 0.169 177.561 177.300 0.153 0.000 1.146 35 P CA 1.786 64.936 63.100 0.082 0.000 0.813 35 P CB 0.231 31.956 31.700 0.042 0.000 0.778 36 N N -1.531 117.277 118.700 0.182 0.000 2.214 36 N HA 0.314 5.055 4.740 0.001 0.000 0.214 36 N C 0.399 176.026 175.510 0.194 0.000 1.132 36 N CA -0.511 52.647 53.050 0.181 0.000 0.856 36 N CB 0.239 38.810 38.487 0.141 0.000 1.020 36 N HN -0.063 nan 8.380 nan 0.000 0.509 37 A N 0.961 123.936 122.820 0.259 0.000 2.425 37 A HA 0.145 4.465 4.320 0.001 0.000 0.242 37 A C 0.180 177.891 177.584 0.213 0.000 1.077 37 A CA -0.024 52.152 52.037 0.231 0.000 0.781 37 A CB 0.495 19.699 19.000 0.339 0.000 1.020 37 A HN 0.404 nan 8.150 nan 0.000 0.494 38 E N 0.608 120.860 120.200 0.086 0.000 2.238 38 E HA 0.581 4.932 4.350 0.001 0.000 0.267 38 E C -1.173 175.394 176.600 -0.054 0.000 0.887 38 E CA -0.459 55.973 56.400 0.053 0.000 0.769 38 E CB 1.865 31.573 29.700 0.014 0.000 1.187 38 E HN 0.829 nan 8.360 nan 0.000 0.416 39 V N 0.066 119.967 119.914 -0.022 0.000 3.167 39 V HA 0.741 4.862 4.120 0.001 0.000 0.310 39 V C -0.868 175.210 176.094 -0.026 0.000 1.207 39 V CA -0.819 61.392 62.300 -0.148 0.000 1.059 39 V CB 1.985 33.647 31.823 -0.269 0.000 1.079 39 V HN 0.723 nan 8.190 nan 0.000 0.446 40 E N 0.313 120.417 120.200 -0.160 0.000 2.308 40 E HA 0.578 4.929 4.350 0.001 0.000 0.275 40 E C -2.119 174.389 176.600 -0.154 0.000 0.890 40 E CA -0.265 56.122 56.400 -0.021 0.000 0.754 40 E CB 2.460 32.114 29.700 -0.076 0.000 1.207 40 E HN 0.710 nan 8.360 nan 0.000 0.426 41 W N 0.916 122.218 121.300 0.004 0.000 2.882 41 W HA 0.449 5.109 4.660 0.000 0.000 0.345 41 W C -0.386 176.160 176.519 0.046 0.000 1.125 41 W CA -0.544 56.818 57.345 0.029 0.000 1.167 41 W CB 1.424 30.930 29.460 0.077 0.000 1.431 41 W HN 0.302 nan 8.180 nan 0.000 0.543 42 E N 1.587 121.959 120.200 0.287 0.000 2.256 42 E HA 0.304 4.654 4.350 0.001 0.000 0.268 42 E C -1.354 175.396 176.600 0.250 0.000 0.877 42 E CA -1.100 55.429 56.400 0.214 0.000 0.757 42 E CB 2.407 32.170 29.700 0.104 0.000 1.183 42 E HN 0.278 nan 8.360 nan 0.000 0.418 43 F N 3.041 123.076 119.950 0.142 0.000 2.444 43 F HA 0.372 4.900 4.527 0.001 0.000 0.331 43 F C -0.056 175.827 175.800 0.138 0.000 1.167 43 F CA 0.115 58.207 58.000 0.153 0.000 1.262 43 F CB 0.680 39.775 39.000 0.159 0.000 1.196 43 F HN 0.356 nan 8.300 nan 0.000 0.583 44 R N 4.241 124.123 120.500 -1.030 0.000 2.560 44 R HA 0.350 4.690 4.340 0.001 0.000 0.267 44 R C -2.231 173.640 176.300 -0.715 0.000 1.150 44 R CA -0.688 55.055 56.100 -0.595 0.000 0.997 44 R CB 0.880 31.041 30.300 -0.232 0.000 1.250 44 R HN 0.906 nan 8.270 nan 0.000 0.433 45 C N 5.417 124.522 119.300 -0.325 0.000 2.258 45 C HA 0.468 4.929 4.460 0.001 0.000 0.321 45 C C 0.974 175.949 174.990 -0.026 0.000 1.168 45 C CA -0.669 58.287 59.018 -0.104 0.000 1.531 45 C CB 0.044 27.878 27.740 0.157 0.000 2.095 45 C HN 0.967 nan 8.230 nan 0.000 0.449 46 R N 2.530 123.004 120.500 -0.044 0.000 2.280 46 R HA 0.028 4.369 4.340 0.001 0.000 0.207 46 R C 1.901 178.209 176.300 0.013 0.000 1.043 46 R CA 0.631 56.722 56.100 -0.015 0.000 1.006 46 R CB -0.298 29.987 30.300 -0.024 0.000 0.885 46 R HN 0.660 nan 8.270 nan 0.000 0.467 47 N N 0.529 119.246 118.700 0.029 0.000 2.300 47 N HA -0.144 4.597 4.740 0.001 0.000 0.179 47 N C 0.487 176.030 175.510 0.055 0.000 1.016 47 N CA 0.748 53.825 53.050 0.045 0.000 0.876 47 N CB 0.238 38.761 38.487 0.060 0.000 0.979 47 N HN 0.284 nan 8.380 nan 0.000 0.432 48 Q N 0.207 120.048 119.800 0.069 0.000 2.385 48 Q HA -0.218 4.122 4.340 0.001 0.000 0.215 48 Q C -1.091 174.963 176.000 0.089 0.000 0.671 48 Q CA 0.798 56.648 55.803 0.079 0.000 1.335 48 Q CB -1.629 27.143 28.738 0.056 0.000 1.425 48 Q HN 0.672 nan 8.270 nan 0.000 0.781 49 E N 0.603 120.861 120.200 0.097 0.000 2.392 49 E HA 0.173 4.523 4.350 0.001 0.000 0.264 49 E C -0.220 176.446 176.600 0.108 0.000 1.024 49 E CA -0.151 56.305 56.400 0.094 0.000 0.903 49 E CB 0.549 30.309 29.700 0.100 0.000 0.963 49 E HN 0.123 nan 8.360 nan 0.000 0.432 50 D N 2.894 123.335 120.400 0.068 0.000 2.412 50 D HA -0.018 4.622 4.640 0.001 0.000 0.257 50 D C -0.202 176.101 176.300 0.006 0.000 1.217 50 D CA -0.063 53.960 54.000 0.038 0.000 0.897 50 D CB 0.771 41.562 40.800 -0.014 0.000 1.132 50 D HN 0.423 nan 8.370 nan 0.000 0.493 51 L N 4.144 125.393 121.223 0.043 0.000 2.766 51 L HA 0.248 4.588 4.340 0.001 0.000 0.242 51 L C 2.220 178.984 176.870 -0.177 0.000 1.136 51 L CA 0.036 54.876 54.840 -0.000 0.000 0.933 51 L CB -0.137 41.952 42.059 0.051 0.000 1.241 51 L HN 0.347 nan 8.230 nan 0.000 0.522 52 R N -0.110 120.339 120.500 -0.085 0.000 2.153 52 R HA -0.177 4.164 4.340 0.001 0.000 0.252 52 R C 1.714 177.906 176.300 -0.179 0.000 1.158 52 R CA 1.446 57.510 56.100 -0.060 0.000 0.975 52 R CB -0.542 29.744 30.300 -0.024 0.000 0.871 52 R HN 0.312 nan 8.270 nan 0.000 0.450 53 L N -0.385 120.612 121.223 -0.377 0.000 2.551 53 L HA -0.097 4.244 4.340 0.001 0.000 0.228 53 L C 1.073 177.721 176.870 -0.371 0.000 1.153 53 L CA 0.556 55.160 54.840 -0.393 0.000 0.851 53 L CB -0.090 41.685 42.059 -0.473 0.000 0.959 53 L HN 0.200 nan 8.230 nan 0.000 0.451 54 Y N -1.704 118.489 120.300 -0.179 0.000 2.462 54 Y HA 0.000 4.551 4.550 0.001 0.000 0.261 54 Y C 1.846 177.598 175.900 -0.247 0.000 1.146 54 Y CA -0.590 57.367 58.100 -0.239 0.000 1.283 54 Y CB -0.242 38.019 38.460 -0.331 0.000 1.090 54 Y HN 0.018 nan 8.280 nan 0.000 0.526 55 L N 1.849 123.026 121.223 -0.078 0.000 1.997 55 L HA -0.145 4.195 4.340 0.001 0.000 0.216 55 L C -0.792 176.058 176.870 -0.033 0.000 1.074 55 L CA 2.263 57.085 54.840 -0.029 0.000 0.763 55 L CB -1.643 40.433 42.059 0.029 0.000 0.890 55 L HN 0.008 nan 8.230 nan 0.000 0.434 56 P HA -0.186 nan 4.420 nan 0.000 0.214 56 P C 1.592 178.867 177.300 -0.040 0.000 1.163 56 P CA 2.315 65.394 63.100 -0.035 0.000 0.889 56 P CB -0.259 31.419 31.700 -0.037 0.000 0.790 57 A N -1.005 121.788 122.820 -0.044 0.000 1.933 57 A HA -0.177 4.144 4.320 0.001 0.000 0.218 57 A C 2.238 179.775 177.584 -0.079 0.000 1.175 57 A CA 1.428 53.427 52.037 -0.063 0.000 0.628 57 A CB -1.645 17.315 19.000 -0.068 0.000 0.814 57 A HN 0.113 nan 8.150 nan 0.000 0.444 58 I N -0.982 119.534 120.570 -0.091 0.000 2.226 58 I HA -0.263 3.907 4.170 0.001 0.000 0.245 58 I C 2.760 178.843 176.117 -0.056 0.000 1.100 58 I CA 1.329 62.565 61.300 -0.108 0.000 1.374 58 I CB -0.309 37.591 38.000 -0.167 0.000 1.057 58 I HN 0.297 nan 8.210 nan 0.000 0.413 59 R N 0.298 120.775 120.500 -0.039 0.000 2.115 59 R HA -0.194 4.146 4.340 0.001 0.000 0.230 59 R C 2.196 178.488 176.300 -0.012 0.000 1.111 59 R CA 1.301 57.386 56.100 -0.025 0.000 0.976 59 R CB -0.260 30.025 30.300 -0.025 0.000 0.870 59 R HN 0.430 nan 8.270 nan 0.000 0.445 60 E N 0.450 120.639 120.200 -0.018 0.000 2.072 60 E HA -0.194 4.156 4.350 0.001 0.000 0.191 60 E C 1.917 178.532 176.600 0.024 0.000 0.985 60 E CA 0.886 57.284 56.400 -0.005 0.000 0.801 60 E CB 0.244 29.929 29.700 -0.025 0.000 0.750 60 E HN 0.199 nan 8.360 nan 0.000 0.452 61 Q N 0.393 120.195 119.800 0.004 0.000 2.135 61 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 61 Q C 2.235 178.296 176.000 0.101 0.000 0.981 61 Q CA 0.645 56.478 55.803 0.050 0.000 0.856 61 Q CB -0.368 28.364 28.738 -0.010 0.000 0.902 61 Q HN 0.351 nan 8.270 nan 0.000 0.425 62 L N 1.390 122.638 121.223 0.042 0.000 2.042 62 L HA -0.210 4.130 4.340 0.001 0.000 0.210 62 L C 1.922 178.826 176.870 0.057 0.000 1.076 62 L CA 1.902 56.764 54.840 0.038 0.000 0.749 62 L CB -0.703 41.361 42.059 0.007 0.000 0.893 62 L HN 0.321 nan 8.230 nan 0.000 0.432 63 E N -1.609 118.627 120.200 0.059 0.000 2.106 63 E HA -0.281 4.070 4.350 0.001 0.000 0.192 63 E C 2.012 178.660 176.600 0.081 0.000 0.984 63 E CA 1.266 57.700 56.400 0.057 0.000 0.806 63 E CB -0.315 29.412 29.700 0.046 0.000 0.750 63 E HN 0.525 nan 8.360 nan 0.000 0.458 64 Y N 1.767 122.060 120.300 -0.011 0.000 2.145 64 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 64 Y C 1.910 177.815 175.900 0.007 0.000 1.145 64 Y CA 1.358 59.452 58.100 -0.010 0.000 1.148 64 Y CB -0.286 38.159 38.460 -0.026 0.000 0.981 64 Y HN -0.066 nan 8.280 nan 0.000 0.507 65 L N -0.106 121.049 121.223 -0.113 0.000 2.079 65 L HA -0.235 4.105 4.340 0.001 0.000 0.210 65 L C 2.772 179.629 176.870 -0.023 0.000 1.081 65 L CA 1.214 55.934 54.840 -0.200 0.000 0.752 65 L CB -1.097 40.786 42.059 -0.293 0.000 0.896 65 L HN 0.372 nan 8.230 nan 0.000 0.433 66 A N 0.192 123.022 122.820 0.016 0.000 2.024 66 A HA -0.125 4.195 4.320 0.001 0.000 0.220 66 A C 2.284 179.854 177.584 -0.024 0.000 1.164 66 A CA 1.704 53.769 52.037 0.047 0.000 0.643 66 A CB -0.909 18.112 19.000 0.036 0.000 0.806 66 A HN 0.474 nan 8.150 nan 0.000 0.451 67 G N -1.263 107.489 108.800 -0.080 0.000 2.683 67 G HA2 0.312 4.273 3.960 0.001 0.000 0.213 67 G HA3 0.312 4.273 3.960 0.001 0.000 0.213 67 G C 0.378 175.197 174.900 -0.135 0.000 1.142 67 G CA -0.234 44.806 45.100 -0.099 0.000 0.793 67 G HN 0.306 nan 8.290 nan 0.000 0.534 68 L N 1.560 122.682 121.223 -0.168 0.000 2.540 68 L HA 0.458 4.799 4.340 0.001 0.000 0.276 68 L C 0.428 177.251 176.870 -0.079 0.000 1.212 68 L CA -0.038 54.721 54.840 -0.134 0.000 0.893 68 L CB 0.804 42.829 42.059 -0.056 0.000 1.138 68 L HN 0.140 nan 8.230 nan 0.000 0.491 69 A N 5.154 127.930 122.820 -0.073 0.000 2.408 69 A HA 0.500 4.820 4.320 0.001 0.000 0.295 69 A C -0.497 177.062 177.584 -0.043 0.000 1.040 69 A CA -0.641 51.354 52.037 -0.070 0.000 0.707 69 A CB 0.718 19.672 19.000 -0.076 0.000 1.235 69 A HN 0.640 nan 8.150 nan 0.000 0.418 70 I N 2.750 123.300 120.570 -0.034 0.000 2.775 70 I HA 0.134 4.305 4.170 0.001 0.000 0.290 70 I C 1.121 177.230 176.117 -0.013 0.000 1.203 70 I CA 0.537 61.828 61.300 -0.016 0.000 1.433 70 I CB 0.884 38.873 38.000 -0.020 0.000 1.354 70 I HN 0.829 nan 8.210 nan 0.000 0.579 71 S N 4.395 120.097 115.700 0.004 0.000 2.632 71 S HA 0.194 4.664 4.470 0.001 0.000 0.267 71 S C 0.677 175.285 174.600 0.013 0.000 1.276 71 S CA -0.630 57.574 58.200 0.007 0.000 0.998 71 S CB 1.380 64.590 63.200 0.016 0.000 0.953 71 S HN 0.668 nan 8.310 nan 0.000 0.547 72 D N 1.102 121.509 120.400 0.011 0.000 2.117 72 D HA -0.112 4.528 4.640 0.001 0.000 0.197 72 D C 2.041 178.360 176.300 0.032 0.000 0.987 72 D CA 1.886 55.895 54.000 0.015 0.000 0.829 72 D CB -0.415 40.391 40.800 0.010 0.000 0.961 72 D HN 0.923 nan 8.370 nan 0.000 0.460 73 E N 0.911 121.133 120.200 0.037 0.000 2.051 73 E HA -0.228 4.122 4.350 0.001 0.000 0.192 73 E C 1.987 178.639 176.600 0.087 0.000 0.991 73 E CA 0.906 57.339 56.400 0.054 0.000 0.799 73 E CB -0.437 29.287 29.700 0.040 0.000 0.748 73 E HN 0.258 nan 8.360 nan 0.000 0.449 74 Q N 0.392 120.236 119.800 0.073 0.000 2.020 74 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 74 Q C 2.295 178.381 176.000 0.143 0.000 0.982 74 Q CA 1.490 57.354 55.803 0.101 0.000 0.838 74 Q CB -0.195 28.584 28.738 0.069 0.000 0.899 74 Q HN 0.234 nan 8.270 nan 0.000 0.423 75 L N 0.528 121.798 121.223 0.079 0.000 2.083 75 L HA -0.136 4.204 4.340 0.001 0.000 0.209 75 L C 2.120 179.026 176.870 0.059 0.000 1.083 75 L CA 1.986 56.856 54.840 0.050 0.000 0.752 75 L CB -0.759 41.303 42.059 0.006 0.000 0.899 75 L HN 0.175 nan 8.230 nan 0.000 0.433 76 A N -1.126 121.735 122.820 0.068 0.000 1.933 76 A HA -0.269 4.052 4.320 0.001 0.000 0.218 76 A C 2.258 179.879 177.584 0.063 0.000 1.175 76 A CA 1.736 53.803 52.037 0.051 0.000 0.628 76 A CB -1.129 17.901 19.000 0.051 0.000 0.814 76 A HN 0.542 nan 8.150 nan 0.000 0.444 77 F N 0.127 120.073 119.950 -0.007 0.000 2.134 77 F HA -0.161 4.367 4.527 0.001 0.000 0.299 77 F C 1.775 177.569 175.800 -0.009 0.000 1.097 77 F CA 1.570 59.564 58.000 -0.010 0.000 1.264 77 F CB -0.224 38.774 39.000 -0.003 0.000 1.001 77 F HN 0.154 nan 8.300 nan 0.000 0.479 78 L N 0.832 122.075 121.223 0.034 0.000 2.056 78 L HA -0.175 4.165 4.340 0.001 0.000 0.207 78 L C 2.454 179.260 176.870 -0.108 0.000 1.078 78 L CA 1.912 56.737 54.840 -0.025 0.000 0.749 78 L CB -1.389 40.733 42.059 0.105 0.000 0.901 78 L HN 0.317 nan 8.230 nan 0.000 0.433 79 E N -0.572 119.586 120.200 -0.070 0.000 2.209 79 E HA -0.221 4.129 4.350 0.001 0.000 0.196 79 E C 2.081 178.610 176.600 -0.119 0.000 0.993 79 E CA 0.775 57.135 56.400 -0.067 0.000 0.819 79 E CB 0.088 29.767 29.700 -0.035 0.000 0.745 79 E HN 0.391 nan 8.360 nan 0.000 0.477 80 R N 0.032 120.421 120.500 -0.186 0.000 2.316 80 R HA 0.087 4.427 4.340 0.001 0.000 0.202 80 R C 0.372 176.510 176.300 -0.270 0.000 1.029 80 R CA 0.167 56.142 56.100 -0.208 0.000 1.018 80 R CB 0.035 30.197 30.300 -0.230 0.000 0.888 80 R HN 0.206 nan 8.270 nan 0.000 0.471 81 I N 2.383 122.750 120.570 -0.338 0.000 2.363 81 I HA 0.064 4.234 4.170 0.001 0.000 0.292 81 I C -1.515 174.349 176.117 -0.420 0.000 1.075 81 I CA -1.978 59.045 61.300 -0.462 0.000 1.333 81 I CB 1.272 38.943 38.000 -0.550 0.000 1.415 81 I HN -0.210 nan 8.210 nan 0.000 0.502 82 P HA -0.237 nan 4.420 nan 0.000 0.216 82 P C 1.127 178.385 177.300 -0.072 0.000 1.154 82 P CA 1.717 64.726 63.100 -0.152 0.000 0.865 82 P CB -0.026 31.646 31.700 -0.046 0.000 0.789 83 F N -2.594 117.395 119.950 0.065 0.000 2.804 83 F HA 0.250 4.778 4.527 0.001 0.000 0.303 83 F C 0.377 176.249 175.800 0.120 0.000 1.154 83 F CA -0.445 57.613 58.000 0.096 0.000 1.401 83 F CB -1.228 37.845 39.000 0.122 0.000 1.106 83 F HN -0.237 nan 8.300 nan 0.000 0.568 84 L N 2.112 123.363 121.223 0.048 0.000 2.262 84 L HA 0.634 4.974 4.340 0.001 0.000 0.288 84 L C 0.499 177.467 176.870 0.164 0.000 1.035 84 L CA -1.050 53.895 54.840 0.174 0.000 0.820 84 L CB 0.973 43.142 42.059 0.183 0.000 1.204 84 L HN 0.204 nan 8.230 nan 0.000 0.424 85 A N 6.430 129.373 122.820 0.205 0.000 2.386 85 A HA 0.361 4.681 4.320 0.001 0.000 0.248 85 A C -1.248 176.449 177.584 0.189 0.000 1.082 85 A CA -1.078 51.069 52.037 0.183 0.000 0.789 85 A CB 0.011 19.153 19.000 0.235 0.000 1.025 85 A HN 0.617 nan 8.150 nan 0.000 0.490 86 P HA -0.222 nan 4.420 nan 0.000 0.216 86 P C 0.743 178.114 177.300 0.118 0.000 1.150 86 P CA 1.719 64.874 63.100 0.091 0.000 0.837 86 P CB -0.088 31.645 31.700 0.054 0.000 0.786 87 D N -0.860 119.635 120.400 0.160 0.000 2.178 87 D HA -0.189 4.451 4.640 0.001 0.000 0.202 87 D C 1.914 178.356 176.300 0.237 0.000 0.974 87 D CA 0.661 54.769 54.000 0.180 0.000 0.841 87 D CB -1.059 39.850 40.800 0.181 0.000 0.953 87 D HN 0.114 nan 8.370 nan 0.000 0.478 88 F N 1.800 121.799 119.950 0.083 0.000 2.163 88 F HA -0.025 4.503 4.527 0.001 0.000 0.297 88 F C 2.214 178.064 175.800 0.084 0.000 1.094 88 F CA 0.499 58.510 58.000 0.019 0.000 1.290 88 F CB -0.230 38.715 39.000 -0.091 0.000 1.017 88 F HN -0.213 nan 8.300 nan 0.000 0.483 89 I N 0.624 121.173 120.570 -0.036 0.000 2.208 89 I HA -0.280 3.891 4.170 0.001 0.000 0.245 89 I C 2.522 178.580 176.117 -0.098 0.000 1.097 89 I CA 1.412 62.633 61.300 -0.133 0.000 1.363 89 I CB -1.353 36.636 38.000 -0.018 0.000 1.051 89 I HN 0.160 nan 8.210 nan 0.000 0.413 90 R N 1.022 121.520 120.500 -0.003 0.000 2.081 90 R HA -0.201 4.140 4.340 0.001 0.000 0.235 90 R C 2.295 178.603 176.300 0.013 0.000 1.131 90 R CA 1.462 57.569 56.100 0.012 0.000 0.960 90 R CB -1.221 29.110 30.300 0.052 0.000 0.856 90 R HN 0.247 nan 8.270 nan 0.000 0.436 91 F N 0.434 120.330 119.950 -0.090 0.000 2.095 91 F HA -0.143 4.384 4.527 0.001 0.000 0.298 91 F C 1.725 177.452 175.800 -0.121 0.000 1.104 91 F CA 1.665 59.622 58.000 -0.073 0.000 1.232 91 F CB -0.236 38.731 39.000 -0.055 0.000 0.987 91 F HN 0.027 nan 8.300 nan 0.000 0.475 92 L N -0.280 120.852 121.223 -0.153 0.000 2.083 92 L HA -0.173 4.168 4.340 0.001 0.000 0.209 92 L C 2.773 179.545 176.870 -0.162 0.000 1.083 92 L CA 1.318 56.016 54.840 -0.238 0.000 0.752 92 L CB -1.565 40.262 42.059 -0.386 0.000 0.899 92 L HN 0.344 nan 8.230 nan 0.000 0.433 93 G N -0.120 108.598 108.800 -0.138 0.000 2.450 93 G HA2 -0.200 3.760 3.960 0.001 0.000 0.220 93 G HA3 -0.200 3.760 3.960 0.001 0.000 0.220 93 G C 1.523 176.352 174.900 -0.118 0.000 1.130 93 G CA 0.558 45.598 45.100 -0.099 0.000 0.760 93 G HN 0.311 nan 8.290 nan 0.000 0.557 94 L N -0.951 120.168 121.223 -0.174 0.000 2.554 94 L HA 0.378 4.718 4.340 0.001 0.000 0.225 94 L C 0.778 177.475 176.870 -0.288 0.000 1.104 94 L CA -0.759 53.956 54.840 -0.209 0.000 0.866 94 L CB 0.072 42.008 42.059 -0.206 0.000 1.047 94 L HN 0.128 nan 8.230 nan 0.000 0.468 95 F N 2.272 121.930 119.950 -0.486 0.000 2.563 95 F HA 0.208 4.736 4.527 0.001 0.000 0.363 95 F C 0.423 176.008 175.800 -0.358 0.000 1.123 95 F CA 0.179 57.878 58.000 -0.502 0.000 1.307 95 F CB 0.305 38.992 39.000 -0.522 0.000 1.115 95 F HN -0.099 nan 8.300 nan 0.000 0.592 96 R N 5.446 125.056 120.500 -1.483 0.000 2.584 96 R HA 0.246 4.586 4.340 0.001 0.000 0.276 96 R C -1.560 173.918 176.300 -1.369 0.000 1.046 96 R CA -0.973 54.495 56.100 -1.053 0.000 0.906 96 R CB 1.152 31.148 30.300 -0.506 0.000 1.215 96 R HN 0.536 nan 8.270 nan 0.000 0.449 97 F N 1.602 121.130 119.950 -0.704 0.000 2.538 97 F HA 0.110 4.638 4.527 0.000 0.000 0.371 97 F C 1.414 177.117 175.800 -0.162 0.000 1.087 97 F CA 0.166 57.929 58.000 -0.396 0.000 1.250 97 F CB 0.379 39.226 39.000 -0.255 0.000 1.110 97 F HN 0.193 nan 8.300 nan 0.000 0.570 98 N N 5.736 124.561 118.700 0.207 0.000 2.462 98 N HA 0.253 4.993 4.740 0.001 0.000 0.242 98 N C -1.986 173.581 175.510 0.094 0.000 1.010 98 N CA -2.344 50.693 53.050 -0.023 0.000 0.939 98 N CB 1.234 39.438 38.487 -0.471 0.000 1.127 98 N HN 0.138 nan 8.380 nan 0.000 0.509 99 P HA -0.115 nan 4.420 nan 0.000 0.217 99 P C 0.732 178.015 177.300 -0.028 0.000 1.148 99 P CA 1.274 64.402 63.100 0.046 0.000 0.828 99 P CB 0.294 31.999 31.700 0.009 0.000 0.783 100 R N -2.104 118.316 120.500 -0.135 0.000 2.285 100 R HA -0.093 4.247 4.340 0.001 0.000 0.213 100 R C 1.172 177.482 176.300 0.016 0.000 1.068 100 R CA 0.861 56.893 56.100 -0.113 0.000 1.004 100 R CB -0.478 29.712 30.300 -0.183 0.000 0.873 100 R HN 0.331 nan 8.270 nan 0.000 0.467 101 Y N -0.636 119.720 120.300 0.093 0.000 2.466 101 Y HA 0.172 4.723 4.550 0.001 0.000 0.272 101 Y C 0.447 176.314 175.900 -0.055 0.000 1.169 101 Y CA -0.659 57.492 58.100 0.086 0.000 1.285 101 Y CB 0.435 39.036 38.460 0.235 0.000 1.078 101 Y HN -0.278 nan 8.280 nan 0.000 0.523 102 V N 1.348 121.260 119.914 -0.002 0.000 2.495 102 V HA 0.416 4.536 4.120 0.001 0.000 0.298 102 V C -0.480 175.588 176.094 -0.044 0.000 1.031 102 V CA -1.117 61.103 62.300 -0.134 0.000 0.871 102 V CB 2.095 33.719 31.823 -0.331 0.000 0.988 102 V HN 0.025 nan 8.190 nan 0.000 0.432 103 Q N 2.081 121.875 119.800 -0.011 0.000 2.321 103 Q HA 0.629 4.969 4.340 0.001 0.000 0.270 103 Q C -0.794 175.170 176.000 -0.059 0.000 1.032 103 Q CA -0.360 55.467 55.803 0.041 0.000 0.784 103 Q CB 2.723 31.557 28.738 0.161 0.000 1.264 103 Q HN 0.771 nan 8.270 nan 0.000 0.448 104 T N 0.556 114.947 114.554 -0.271 0.000 2.896 104 T HA 0.889 5.239 4.350 0.001 0.000 0.297 104 T C -0.482 173.629 174.700 -0.982 0.000 1.108 104 T CA 0.255 61.902 62.100 -0.756 0.000 1.004 104 T CB 1.839 70.477 68.868 -0.383 0.000 1.159 104 T HN 0.851 nan 8.240 nan 0.000 0.499 105 G N 1.763 109.626 108.800 -1.562 0.000 2.512 105 G HA2 0.402 4.362 3.960 0.001 0.000 0.181 105 G HA3 0.402 4.362 3.960 0.001 0.000 0.181 105 G C -1.971 172.622 174.900 -0.512 0.000 1.173 105 G CA -0.518 44.108 45.100 -0.790 0.000 0.988 105 G HN 0.846 nan 8.290 nan 0.000 0.485 106 I N 1.237 121.867 120.570 0.098 0.000 2.534 106 I HA 0.400 4.571 4.170 0.001 0.000 0.286 106 I C -1.067 175.243 176.117 0.321 0.000 1.094 106 I CA -0.406 61.038 61.300 0.241 0.000 1.055 106 I CB 2.255 40.331 38.000 0.127 0.000 1.225 106 I HN 0.425 nan 8.210 nan 0.000 0.435 107 E N 5.660 126.044 120.200 0.305 0.000 2.222 107 E HA 0.384 4.734 4.350 0.001 0.000 0.267 107 E C -0.674 175.966 176.600 0.067 0.000 0.884 107 E CA -0.875 55.580 56.400 0.091 0.000 0.764 107 E CB 1.402 31.034 29.700 -0.113 0.000 1.169 107 E HN 0.471 nan 8.360 nan 0.000 0.413 108 N N 3.617 122.337 118.700 0.032 0.000 2.705 108 N HA -0.193 4.548 4.740 0.001 0.000 0.255 108 N C -1.013 174.528 175.510 0.050 0.000 1.008 108 N CA 1.146 54.214 53.050 0.029 0.000 0.742 108 N CB -1.023 37.473 38.487 0.015 0.000 0.906 108 N HN 0.772 nan 8.380 nan 0.000 0.541 109 D N -1.047 119.388 120.400 0.058 0.000 2.708 109 D HA -0.219 4.422 4.640 0.001 0.000 0.236 109 D C 0.115 176.467 176.300 0.087 0.000 1.146 109 D CA 1.427 55.464 54.000 0.062 0.000 0.662 109 D CB -0.719 40.105 40.800 0.041 0.000 1.059 109 D HN 0.790 nan 8.370 nan 0.000 0.428 110 E N -0.299 119.977 120.200 0.126 0.000 2.335 110 E HA 0.322 4.672 4.350 0.001 0.000 0.280 110 E C -0.772 175.975 176.600 0.246 0.000 0.918 110 E CA -0.835 55.670 56.400 0.175 0.000 0.765 110 E CB 1.394 31.187 29.700 0.156 0.000 1.218 110 E HN -0.041 nan 8.360 nan 0.000 0.425 111 F N 5.428 125.453 119.950 0.124 0.000 2.553 111 F HA 0.389 4.917 4.527 0.000 0.000 0.356 111 F C -0.933 174.992 175.800 0.208 0.000 1.142 111 F CA 0.255 58.300 58.000 0.075 0.000 1.322 111 F CB 0.340 39.344 39.000 0.006 0.000 1.126 111 F HN 0.390 nan 8.300 nan 0.000 0.599 112 F N 5.112 124.400 119.950 -1.103 0.000 2.662 112 F HA 0.794 5.321 4.527 0.000 0.000 0.312 112 F C -2.280 172.889 175.800 -1.052 0.000 1.113 112 F CA -1.667 55.877 58.000 -0.759 0.000 0.951 112 F CB 1.405 40.231 39.000 -0.290 0.000 1.344 112 F HN 0.650 nan 8.300 nan 0.000 0.462 113 L N 2.374 123.452 121.223 -0.242 0.000 2.611 113 L HA 0.639 4.980 4.340 0.001 0.000 0.260 113 L C -1.720 175.243 176.870 0.155 0.000 0.924 113 L CA -0.393 54.335 54.840 -0.186 0.000 0.901 113 L CB 2.028 43.919 42.059 -0.280 0.000 1.369 113 L HN 0.937 nan 8.230 nan 0.000 0.415 114 R N 4.703 125.294 120.500 0.152 0.000 2.744 114 R HA 0.753 5.093 4.340 0.001 0.000 0.279 114 R C -1.639 174.727 176.300 0.109 0.000 0.977 114 R CA -0.847 55.352 56.100 0.165 0.000 0.906 114 R CB 2.501 32.897 30.300 0.159 0.000 1.197 114 R HN 0.513 nan 8.270 nan 0.000 0.463 115 L N 1.767 123.087 121.223 0.162 0.000 2.346 115 L HA 0.609 4.949 4.340 0.001 0.000 0.276 115 L C -0.520 176.484 176.870 0.223 0.000 1.006 115 L CA -0.716 54.209 54.840 0.142 0.000 0.817 115 L CB 1.915 44.043 42.059 0.115 0.000 1.272 115 L HN 0.494 nan 8.230 nan 0.000 0.421 116 K N 1.976 122.489 120.400 0.188 0.000 2.589 116 K HA 0.722 5.043 4.320 0.001 0.000 0.253 116 K C -0.949 175.687 176.600 0.060 0.000 0.974 116 K CA -0.304 56.069 56.287 0.143 0.000 0.835 116 K CB 2.165 34.730 32.500 0.108 0.000 1.272 116 K HN 0.817 nan 8.250 nan 0.000 0.444 117 G N 2.863 111.633 108.800 -0.051 0.000 2.327 117 G HA2 0.167 4.128 3.960 0.001 0.000 0.291 117 G HA3 0.167 4.128 3.960 0.001 0.000 0.291 117 G C -3.227 171.579 174.900 -0.156 0.000 1.290 117 G CA -0.963 43.925 45.100 -0.353 0.000 0.857 117 G HN 0.321 nan 8.290 nan 0.000 0.520 118 P HA 0.039 nan 4.420 nan 0.000 0.261 118 P C 0.305 177.793 177.300 0.313 0.000 1.183 118 P CA -0.058 63.139 63.100 0.161 0.000 0.761 118 P CB 0.475 32.361 31.700 0.310 0.000 0.785 119 W N 5.424 126.807 121.300 0.139 0.000 2.304 119 W HA -0.208 4.452 4.660 0.000 0.000 0.315 119 W C 1.595 178.222 176.519 0.181 0.000 1.233 119 W CA 1.362 58.822 57.345 0.192 0.000 1.261 119 W CB -1.108 28.448 29.460 0.159 0.000 1.150 119 W HN 0.311 nan 8.180 nan 0.000 0.494 120 L N -0.274 121.079 121.223 0.216 0.000 2.079 120 L HA -0.266 4.074 4.340 0.001 0.000 0.210 120 L C 2.424 179.286 176.870 -0.014 0.000 1.081 120 L CA 1.854 56.649 54.840 -0.075 0.000 0.752 120 L CB -0.778 41.160 42.059 -0.201 0.000 0.896 120 L HN 0.054 nan 8.230 nan 0.000 0.433 121 H N -1.984 117.284 119.070 0.330 0.000 2.551 121 H HA 0.069 4.625 4.556 0.001 0.000 0.266 121 H C 1.907 177.546 175.328 0.518 0.000 0.964 121 H CA 0.781 57.141 56.048 0.519 0.000 1.180 121 H CB 0.743 30.846 29.762 0.569 0.000 1.408 121 H HN 0.265 nan 8.280 nan 0.000 0.563 122 V N 0.497 120.711 119.914 0.500 0.000 3.565 122 V HA -0.040 4.080 4.120 0.001 0.000 0.260 122 V C 2.366 178.680 176.094 0.366 0.000 1.231 122 V CA 0.216 62.859 62.300 0.571 0.000 1.100 122 V CB 0.218 32.314 31.823 0.455 0.000 0.807 122 V HN 0.245 nan 8.190 nan 0.000 0.454 123 I N 0.097 120.825 120.570 0.263 0.000 2.145 123 I HA -0.284 3.886 4.170 0.001 0.000 0.244 123 I C 2.254 178.406 176.117 0.058 0.000 1.075 123 I CA 1.562 62.943 61.300 0.134 0.000 1.332 123 I CB -0.231 37.802 38.000 0.056 0.000 1.033 123 I HN 0.287 nan 8.210 nan 0.000 0.410 124 L N -0.359 120.886 121.223 0.036 0.000 2.353 124 L HA -0.176 4.164 4.340 0.001 0.000 0.220 124 L C 2.104 179.152 176.870 0.297 0.000 1.133 124 L CA 1.590 56.489 54.840 0.099 0.000 0.798 124 L CB -1.264 40.711 42.059 -0.139 0.000 0.922 124 L HN 0.113 nan 8.230 nan 0.000 0.445 125 F N 0.334 120.466 119.950 0.304 0.000 2.146 125 F HA -0.152 4.376 4.527 0.000 0.000 0.298 125 F C 2.258 178.037 175.800 -0.034 0.000 1.096 125 F CA 0.841 58.901 58.000 0.100 0.000 1.275 125 F CB -0.426 38.614 39.000 0.068 0.000 1.008 125 F HN 0.212 nan 8.300 nan 0.000 0.480 126 E N -0.045 120.189 120.200 0.057 0.000 2.063 126 E HA -0.287 4.064 4.350 0.001 0.000 0.221 126 E C 2.273 178.926 176.600 0.089 0.000 1.052 126 E CA 2.301 58.674 56.400 -0.045 0.000 0.891 126 E CB -0.911 28.674 29.700 -0.193 0.000 0.792 126 E HN 0.149 nan 8.360 nan 0.000 0.482 127 V N 1.042 121.030 119.914 0.123 0.000 2.261 127 V HA -0.188 3.933 4.120 0.001 0.000 0.246 127 V C -0.869 175.315 176.094 0.149 0.000 1.047 127 V CA 2.219 64.616 62.300 0.161 0.000 1.015 127 V CB -1.360 30.584 31.823 0.201 0.000 0.642 127 V HN 0.191 nan 8.190 nan 0.000 0.446 128 P HA -0.165 nan 4.420 nan 0.000 0.216 128 P C 1.955 179.305 177.300 0.084 0.000 1.153 128 P CA 1.521 64.683 63.100 0.102 0.000 0.858 128 P CB -0.073 31.658 31.700 0.052 0.000 0.789 129 L N -1.691 119.590 121.223 0.096 0.000 2.042 129 L HA -0.187 4.153 4.340 0.001 0.000 0.210 129 L C 2.447 179.378 176.870 0.101 0.000 1.076 129 L CA 1.434 56.325 54.840 0.086 0.000 0.749 129 L CB -0.920 41.204 42.059 0.108 0.000 0.893 129 L HN 0.004 nan 8.230 nan 0.000 0.432 130 L N -0.624 120.687 121.223 0.148 0.000 2.056 130 L HA -0.153 4.188 4.340 0.001 0.000 0.207 130 L C 2.863 179.797 176.870 0.108 0.000 1.078 130 L CA 1.082 56.024 54.840 0.169 0.000 0.749 130 L CB -0.687 41.479 42.059 0.179 0.000 0.901 130 L HN 0.221 nan 8.230 nan 0.000 0.433 131 A N -0.372 122.511 122.820 0.103 0.000 1.930 131 A HA -0.231 4.089 4.320 0.001 0.000 0.217 131 A C 2.327 179.940 177.584 0.048 0.000 1.175 131 A CA 1.650 53.742 52.037 0.091 0.000 0.627 131 A CB -0.474 18.607 19.000 0.134 0.000 0.815 131 A HN 0.373 nan 8.150 nan 0.000 0.443 132 M N -0.097 119.522 119.600 0.032 0.000 2.123 132 M HA -0.039 4.441 4.480 0.001 0.000 0.263 132 M C 1.925 178.172 176.300 -0.090 0.000 1.069 132 M CA 1.734 57.023 55.300 -0.019 0.000 1.133 132 M CB -0.670 31.925 32.600 -0.008 0.000 1.356 132 M HN 0.421 nan 8.290 nan 0.000 0.415 133 I N -0.275 120.241 120.570 -0.089 0.000 2.315 133 I HA -0.253 3.917 4.170 0.001 0.000 0.248 133 I C 2.642 178.640 176.117 -0.197 0.000 1.117 133 I CA 1.233 62.423 61.300 -0.183 0.000 1.404 133 I CB -0.447 37.459 38.000 -0.157 0.000 1.071 133 I HN 0.379 nan 8.210 nan 0.000 0.419 134 S N 0.531 116.174 115.700 -0.096 0.000 2.355 134 S HA -0.265 4.206 4.470 0.001 0.000 0.222 134 S C 2.027 176.517 174.600 -0.183 0.000 1.031 134 S CA 1.869 60.008 58.200 -0.101 0.000 0.993 134 S CB -0.172 63.016 63.200 -0.021 0.000 0.859 134 S HN 0.495 nan 8.310 nan 0.000 0.453 135 E N 0.238 120.348 120.200 -0.149 0.000 2.152 135 E HA -0.096 4.255 4.350 0.001 0.000 0.192 135 E C 1.982 178.410 176.600 -0.287 0.000 0.983 135 E CA 1.298 57.601 56.400 -0.162 0.000 0.818 135 E CB -0.094 29.584 29.700 -0.037 0.000 0.758 135 E HN 0.562 nan 8.360 nan 0.000 0.467 136 V N -0.694 119.022 119.914 -0.329 0.000 2.358 136 V HA -0.139 3.981 4.120 0.001 0.000 0.246 136 V C 2.460 178.188 176.094 -0.611 0.000 1.047 136 V CA 1.854 63.904 62.300 -0.417 0.000 1.035 136 V CB -0.668 30.932 31.823 -0.371 0.000 0.658 136 V HN 0.178 nan 8.190 nan 0.000 0.452 137 R N 0.994 121.030 120.500 -0.772 0.000 2.096 137 R HA -0.148 4.193 4.340 0.001 0.000 0.235 137 R C 2.121 178.143 176.300 -0.462 0.000 1.127 137 R CA 2.266 57.787 56.100 -0.966 0.000 0.968 137 R CB -0.459 29.414 30.300 -0.712 0.000 0.861 137 R HN 0.745 nan 8.270 nan 0.000 0.440 138 N N -0.322 118.169 118.700 -0.348 0.000 2.270 138 N HA -0.070 4.670 4.740 0.001 0.000 0.181 138 N C 1.741 177.144 175.510 -0.179 0.000 1.016 138 N CA 0.555 53.496 53.050 -0.183 0.000 0.870 138 N CB 0.049 38.196 38.487 -0.567 0.000 0.979 138 N HN 0.177 nan 8.380 nan 0.000 0.431 139 R N 0.533 120.657 120.500 -0.626 0.000 2.115 139 R HA 0.028 4.368 4.340 0.001 0.000 0.230 139 R C 2.023 178.053 176.300 -0.450 0.000 1.111 139 R CA 1.171 56.628 56.100 -1.071 0.000 0.976 139 R CB -0.086 29.612 30.300 -1.004 0.000 0.870 139 R HN 0.210 nan 8.270 nan 0.000 0.445 140 A N 0.542 123.189 122.820 -0.288 0.000 1.943 140 A HA 0.014 4.334 4.320 0.001 0.000 0.213 140 A C 1.997 179.511 177.584 -0.117 0.000 1.181 140 A CA 0.484 52.450 52.037 -0.119 0.000 0.653 140 A CB 0.028 19.075 19.000 0.078 0.000 0.833 140 A HN 0.026 nan 8.150 nan 0.000 0.451 141 R N -1.445 118.926 120.500 -0.216 0.000 2.093 141 R HA 0.020 4.360 4.340 0.001 0.000 0.224 141 R C -0.305 175.612 176.300 -0.638 0.000 1.101 141 R CA 0.963 56.769 56.100 -0.491 0.000 0.979 141 R CB -0.261 29.581 30.300 -0.764 0.000 0.877 141 R HN 0.615 nan 8.270 nan 0.000 0.441 142 Y N 0.160 120.578 120.300 0.196 0.000 2.473 142 Y HA 0.280 4.830 4.550 0.001 0.000 0.345 142 Y C -1.699 174.453 175.900 0.421 0.000 0.932 142 Y CA -2.430 55.854 58.100 0.307 0.000 1.124 142 Y CB 0.897 39.631 38.460 0.457 0.000 1.162 142 Y HN 0.003 nan 8.280 nan 0.000 0.629 143 P HA -0.174 nan 4.420 nan 0.000 0.220 143 P C 0.973 178.505 177.300 0.386 0.000 1.144 143 P CA 1.569 64.841 63.100 0.286 0.000 0.800 143 P CB 0.446 32.195 31.700 0.081 0.000 0.772 144 A N -0.995 122.014 122.820 0.315 0.000 2.460 144 A HA 0.551 4.871 4.320 0.001 0.000 0.258 144 A C 1.058 178.745 177.584 0.172 0.000 1.300 144 A CA -0.182 51.983 52.037 0.214 0.000 0.913 144 A CB -0.513 18.572 19.000 0.140 0.000 1.031 144 A HN 0.233 nan 8.150 nan 0.000 0.512 145 A N 0.703 123.660 122.820 0.228 0.000 2.425 145 A HA 0.542 4.862 4.320 0.001 0.000 0.249 145 A C 0.770 178.295 177.584 -0.098 0.000 1.084 145 A CA 0.613 52.659 52.037 0.014 0.000 0.781 145 A CB -0.112 18.879 19.000 -0.015 0.000 1.019 145 A HN 0.805 nan 8.150 nan 0.000 0.490 146 T N -1.044 113.422 114.554 -0.147 0.000 2.942 146 T HA 0.460 4.810 4.350 0.001 0.000 0.289 146 T C 0.877 175.466 174.700 -0.186 0.000 1.044 146 T CA -0.210 61.812 62.100 -0.131 0.000 1.023 146 T CB 1.122 69.941 68.868 -0.082 0.000 1.123 146 T HN 0.394 nan 8.240 nan 0.000 0.512 147 V N 1.042 120.869 119.914 -0.145 0.000 2.427 147 V HA -0.074 4.046 4.120 0.001 0.000 0.248 147 V C 2.897 178.906 176.094 -0.143 0.000 1.051 147 V CA 1.590 63.802 62.300 -0.147 0.000 1.048 147 V CB -0.867 30.894 31.823 -0.103 0.000 0.666 147 V HN 0.900 nan 8.190 nan 0.000 0.456 148 E N 0.266 120.397 120.200 -0.115 0.000 2.160 148 E HA -0.243 4.107 4.350 0.001 0.000 0.195 148 E C 2.309 178.833 176.600 -0.127 0.000 0.991 148 E CA 1.390 57.727 56.400 -0.104 0.000 0.810 148 E CB -0.138 29.516 29.700 -0.077 0.000 0.742 148 E HN 0.725 nan 8.360 nan 0.000 0.466 149 Q N -0.375 119.331 119.800 -0.156 0.000 2.046 149 Q HA -0.080 4.260 4.340 0.001 0.000 0.200 149 Q C 2.206 178.082 176.000 -0.206 0.000 0.975 149 Q CA 1.430 57.125 55.803 -0.179 0.000 0.836 149 Q CB -0.187 28.419 28.738 -0.221 0.000 0.896 149 Q HN 0.222 nan 8.270 nan 0.000 0.428 150 A N 1.462 124.139 122.820 -0.239 0.000 1.902 150 A HA -0.195 4.125 4.320 0.001 0.000 0.217 150 A C 2.058 179.522 177.584 -0.200 0.000 1.181 150 A CA 1.338 53.234 52.037 -0.236 0.000 0.623 150 A CB -0.409 18.447 19.000 -0.241 0.000 0.818 150 A HN 0.190 nan 8.150 nan 0.000 0.443 151 R N 0.013 120.408 120.500 -0.176 0.000 2.081 151 R HA -0.175 4.166 4.340 0.001 0.000 0.235 151 R C 2.258 178.458 176.300 -0.166 0.000 1.131 151 R CA 1.710 57.711 56.100 -0.165 0.000 0.960 151 R CB -0.382 29.845 30.300 -0.122 0.000 0.856 151 R HN 0.901 nan 8.270 nan 0.000 0.436 152 E N 0.519 120.636 120.200 -0.138 0.000 2.208 152 E HA -0.158 4.192 4.350 0.001 0.000 0.193 152 E C 1.771 178.291 176.600 -0.133 0.000 0.988 152 E CA 0.680 57.010 56.400 -0.116 0.000 0.828 152 E CB -0.073 29.573 29.700 -0.090 0.000 0.763 152 E HN 0.254 nan 8.360 nan 0.000 0.478 153 R N 0.574 120.981 120.500 -0.155 0.000 2.090 153 R HA 0.047 4.387 4.340 0.001 0.000 0.228 153 R C 2.561 178.740 176.300 -0.203 0.000 1.110 153 R CA 0.705 56.716 56.100 -0.149 0.000 0.973 153 R CB -0.433 29.781 30.300 -0.143 0.000 0.869 153 R HN 0.281 nan 8.270 nan 0.000 0.440 154 L N 1.058 122.101 121.223 -0.300 0.000 1.994 154 L HA -0.246 4.095 4.340 0.001 0.000 0.208 154 L C 2.451 178.853 176.870 -0.780 0.000 1.071 154 L CA 1.705 56.207 54.840 -0.563 0.000 0.745 154 L CB -0.257 41.431 42.059 -0.617 0.000 0.892 154 L HN 0.156 nan 8.230 nan 0.000 0.431 155 Q N 0.095 119.608 119.800 -0.478 0.000 2.170 155 Q HA -0.274 4.066 4.340 0.001 0.000 0.203 155 Q C 1.951 177.908 176.000 -0.073 0.000 0.976 155 Q CA 1.887 57.557 55.803 -0.222 0.000 0.858 155 Q CB -0.059 28.640 28.738 -0.066 0.000 0.907 155 Q HN 0.450 nan 8.270 nan 0.000 0.433 156 E N -0.266 119.878 120.200 -0.094 0.000 2.051 156 E HA -0.219 4.131 4.350 0.001 0.000 0.192 156 E C 1.599 178.238 176.600 0.065 0.000 0.991 156 E CA 1.254 57.648 56.400 -0.009 0.000 0.799 156 E CB 0.073 29.750 29.700 -0.038 0.000 0.748 156 E HN 0.272 nan 8.360 nan 0.000 0.449 157 K N -0.438 119.971 120.400 0.016 0.000 2.155 157 K HA -0.094 4.226 4.320 0.001 0.000 0.203 157 K C 1.942 178.769 176.600 0.377 0.000 1.052 157 K CA 0.763 57.142 56.287 0.153 0.000 0.948 157 K CB -0.078 32.485 32.500 0.105 0.000 0.728 157 K HN 0.114 nan 8.250 nan 0.000 0.448 158 F N 2.277 122.326 119.950 0.165 0.000 2.134 158 F HA -0.178 4.350 4.527 0.001 0.000 0.299 158 F C 1.914 177.763 175.800 0.082 0.000 1.097 158 F CA 1.020 59.095 58.000 0.124 0.000 1.264 158 F CB -0.749 38.284 39.000 0.056 0.000 1.001 158 F HN 0.053 nan 8.300 nan 0.000 0.479 159 D N -1.116 119.451 120.400 0.278 0.000 2.117 159 D HA -0.244 4.396 4.640 0.001 0.000 0.197 159 D C 2.112 178.488 176.300 0.127 0.000 0.987 159 D CA 1.151 55.239 54.000 0.147 0.000 0.829 159 D CB -0.820 40.045 40.800 0.110 0.000 0.961 159 D HN 0.420 nan 8.370 nan 0.000 0.460 160 W N 1.631 122.953 121.300 0.037 0.000 2.318 160 W HA -0.229 4.431 4.660 0.000 0.000 0.313 160 W C 2.127 178.638 176.519 -0.013 0.000 1.221 160 W CA 1.140 58.490 57.345 0.009 0.000 1.266 160 W CB -0.447 29.022 29.460 0.015 0.000 1.150 160 W HN -0.024 nan 8.180 nan 0.000 0.496 161 L N 1.555 122.904 121.223 0.209 0.000 2.046 161 L HA -0.100 4.240 4.340 0.001 0.000 0.208 161 L C 2.664 179.371 176.870 -0.272 0.000 1.077 161 L CA 2.278 57.079 54.840 -0.065 0.000 0.747 161 L CB -1.207 40.960 42.059 0.180 0.000 0.896 161 L HN 0.085 nan 8.230 nan 0.000 0.432 162 R N -0.628 119.773 120.500 -0.166 0.000 2.120 162 R HA -0.126 4.214 4.340 0.001 0.000 0.234 162 R C 2.282 178.454 176.300 -0.213 0.000 1.123 162 R CA 1.426 57.417 56.100 -0.183 0.000 0.975 162 R CB -0.063 30.167 30.300 -0.117 0.000 0.866 162 R HN 0.383 nan 8.270 nan 0.000 0.446 163 R N -0.661 119.690 120.500 -0.248 0.000 2.200 163 R HA -0.057 4.283 4.340 0.001 0.000 0.208 163 R C 1.839 177.925 176.300 -0.356 0.000 1.033 163 R CA 1.003 56.950 56.100 -0.256 0.000 1.000 163 R CB 0.089 30.260 30.300 -0.215 0.000 0.906 163 R HN 0.136 nan 8.270 nan 0.000 0.462 164 E N 0.794 120.660 120.200 -0.557 0.000 2.166 164 E HA 0.131 4.481 4.350 0.001 0.000 0.192 164 E C -0.196 176.153 176.600 -0.419 0.000 0.967 164 E CA 0.487 56.519 56.400 -0.614 0.000 0.840 164 E CB 0.359 29.348 29.700 -1.185 0.000 0.795 164 E HN 0.234 nan 8.360 nan 0.000 0.470 165 A N 0.342 122.927 122.820 -0.392 0.000 2.306 165 A HA 0.641 4.961 4.320 0.001 0.000 0.330 165 A C 0.153 177.618 177.584 -0.200 0.000 1.146 165 A CA -0.141 51.728 52.037 -0.281 0.000 0.827 165 A CB 0.903 19.702 19.000 -0.334 0.000 1.178 165 A HN 0.293 nan 8.150 nan 0.000 0.490 166 S N 0.496 116.116 115.700 -0.135 0.000 2.681 166 S HA 0.548 5.018 4.470 0.001 0.000 0.270 166 S C 1.253 175.804 174.600 -0.082 0.000 1.209 166 S CA -0.035 58.108 58.200 -0.095 0.000 0.988 166 S CB 1.154 64.320 63.200 -0.057 0.000 1.006 166 S HN 1.659 nan 8.310 nan 0.000 0.558 167 A N 0.396 123.178 122.820 -0.063 0.000 1.902 167 A HA -0.114 4.207 4.320 0.001 0.000 0.217 167 A C 2.135 179.707 177.584 -0.020 0.000 1.181 167 A CA 1.806 53.813 52.037 -0.050 0.000 0.623 167 A CB -1.328 17.649 19.000 -0.040 0.000 0.818 167 A HN 1.019 nan 8.150 nan 0.000 0.443 168 E N -0.128 120.072 120.200 -0.000 0.000 2.077 168 E HA -0.239 4.111 4.350 0.001 0.000 0.193 168 E C 1.904 178.550 176.600 0.077 0.000 0.989 168 E CA 1.472 57.893 56.400 0.036 0.000 0.800 168 E CB -0.155 29.567 29.700 0.037 0.000 0.746 168 E HN 0.756 nan 8.360 nan 0.000 0.452 169 E N 0.415 120.655 120.200 0.068 0.000 2.047 169 E HA -0.173 4.177 4.350 0.001 0.000 0.191 169 E C 2.337 178.951 176.600 0.024 0.000 0.987 169 E CA 1.082 57.562 56.400 0.135 0.000 0.799 169 E CB -0.112 29.633 29.700 0.075 0.000 0.752 169 E HN 0.328 nan 8.360 nan 0.000 0.449 170 L N 0.612 121.803 121.223 -0.054 0.000 2.127 170 L HA -0.191 4.149 4.340 0.001 0.000 0.211 170 L C 2.450 179.329 176.870 0.015 0.000 1.089 170 L CA 0.901 55.699 54.840 -0.070 0.000 0.757 170 L CB -0.407 41.570 42.059 -0.136 0.000 0.899 170 L HN 0.153 nan 8.230 nan 0.000 0.434 171 A N -0.395 122.447 122.820 0.035 0.000 2.168 171 A HA 0.023 4.343 4.320 0.001 0.000 0.215 171 A C 2.095 179.746 177.584 0.111 0.000 1.152 171 A CA 1.337 53.412 52.037 0.063 0.000 0.716 171 A CB -0.528 18.505 19.000 0.054 0.000 0.794 171 A HN 0.444 nan 8.150 nan 0.000 0.465 172 G N -2.399 106.488 108.800 0.146 0.000 3.192 172 G HA2 0.312 4.273 3.960 0.001 0.000 0.239 172 G HA3 0.312 4.273 3.960 0.001 0.000 0.239 172 G C -0.057 174.916 174.900 0.122 0.000 1.084 172 G CA -0.230 45.007 45.100 0.227 0.000 0.784 172 G HN 0.275 nan 8.290 nan 0.000 0.540 173 F N 2.462 122.272 119.950 -0.232 0.000 2.423 173 F HA 0.587 5.114 4.527 -0.000 0.000 0.356 173 F C -0.101 175.766 175.800 0.113 0.000 1.170 173 F CA -1.404 56.422 58.000 -0.289 0.000 1.163 173 F CB 0.631 39.428 39.000 -0.338 0.000 1.318 173 F HN -0.261 nan 8.300 nan 0.000 0.569 174 K N 5.749 126.131 120.400 -0.029 0.000 2.285 174 K HA 0.389 4.709 4.320 0.001 0.000 0.286 174 K C -0.559 175.978 176.600 -0.105 0.000 1.072 174 K CA -0.220 56.063 56.287 -0.007 0.000 0.913 174 K CB 0.922 33.436 32.500 0.024 0.000 1.067 174 K HN 0.564 nan 8.250 nan 0.000 0.479 175 M N 2.768 122.298 119.600 -0.116 0.000 2.393 175 M HA 0.657 5.137 4.480 0.001 0.000 0.316 175 M C -1.530 174.650 176.300 -0.201 0.000 1.087 175 M CA -0.694 54.484 55.300 -0.202 0.000 0.937 175 M CB 2.029 34.386 32.600 -0.406 0.000 1.668 175 M HN 0.609 nan 8.290 nan 0.000 0.438 176 A N 2.938 125.604 122.820 -0.255 0.000 2.413 176 A HA 0.696 5.017 4.320 0.001 0.000 0.307 176 A C -1.528 175.949 177.584 -0.179 0.000 1.087 176 A CA -0.709 51.130 52.037 -0.330 0.000 0.750 176 A CB 1.078 19.793 19.000 -0.476 0.000 1.296 176 A HN 0.801 nan 8.150 nan 0.000 0.423 177 D N 0.237 120.720 120.400 0.137 0.000 2.274 177 D HA 0.515 5.155 4.640 0.001 0.000 0.239 177 D C -0.849 175.702 176.300 0.418 0.000 1.104 177 D CA -0.047 54.146 54.000 0.322 0.000 0.840 177 D CB 0.257 41.355 40.800 0.496 0.000 1.100 177 D HN 0.168 nan 8.370 nan 0.000 0.477 178 F N 2.242 122.292 119.950 0.166 0.000 2.764 178 F HA 0.373 4.900 4.527 0.000 0.000 0.310 178 F C 1.641 177.489 175.800 0.079 0.000 1.124 178 F CA -0.868 57.184 58.000 0.086 0.000 1.252 178 F CB 0.849 39.858 39.000 0.016 0.000 1.010 178 F HN 0.566 nan 8.300 nan 0.000 0.518 179 G N -0.200 108.754 108.800 0.256 0.000 3.379 179 G HA2 0.054 4.015 3.960 0.001 0.000 0.253 179 G HA3 0.054 4.015 3.960 0.001 0.000 0.253 179 G C 1.234 176.051 174.900 -0.139 0.000 1.262 179 G CA 0.381 45.510 45.100 0.049 0.000 0.959 179 G HN 0.197 nan 8.290 nan 0.000 0.524 180 T N 1.311 115.899 114.554 0.056 0.000 2.643 180 T HA -0.183 4.168 4.350 0.001 0.000 0.264 180 T C 2.619 177.378 174.700 0.098 0.000 1.045 180 T CA 1.465 63.647 62.100 0.137 0.000 1.155 180 T CB -0.141 68.917 68.868 0.316 0.000 0.863 180 T HN 0.624 nan 8.240 nan 0.000 0.420 181 R N 1.433 122.003 120.500 0.117 0.000 2.117 181 R HA -0.071 4.269 4.340 0.001 0.000 0.243 181 R C 1.502 177.853 176.300 0.085 0.000 1.143 181 R CA 1.490 57.659 56.100 0.116 0.000 0.968 181 R CB -0.275 30.105 30.300 0.132 0.000 0.863 181 R HN 0.280 nan 8.270 nan 0.000 0.444 182 R N 1.343 121.875 120.500 0.052 0.000 2.652 182 R HA 0.178 4.519 4.340 0.001 0.000 0.372 182 R C -0.343 175.972 176.300 0.025 0.000 1.104 182 R CA -0.434 55.690 56.100 0.040 0.000 1.072 182 R CB 0.658 30.976 30.300 0.030 0.000 1.367 182 R HN 0.310 nan 8.270 nan 0.000 0.577 183 R N -0.396 120.108 120.500 0.006 0.000 2.734 183 R HA -0.024 4.317 4.340 0.001 0.000 0.266 183 R C 0.400 176.753 176.300 0.088 0.000 1.044 183 R CA -0.131 55.972 56.100 0.005 0.000 1.128 183 R CB 0.279 30.544 30.300 -0.058 0.000 1.010 183 R HN 0.011 nan 8.270 nan 0.000 0.461 184 F N 1.511 121.457 119.950 -0.006 0.000 2.102 184 F HA -0.144 4.383 4.527 0.000 0.000 0.298 184 F C 0.548 176.408 175.800 0.099 0.000 1.105 184 F CA 1.826 59.843 58.000 0.028 0.000 1.239 184 F CB 0.182 39.157 39.000 -0.042 0.000 0.991 184 F HN 0.821 nan 8.300 nan 0.000 0.474 185 S N -3.038 112.767 115.700 0.174 0.000 2.611 185 S HA 0.156 4.626 4.470 0.001 0.000 0.268 185 S C 0.063 174.791 174.600 0.214 0.000 1.156 185 S CA -0.267 58.035 58.200 0.170 0.000 0.817 185 S CB 0.234 63.556 63.200 0.204 0.000 1.122 185 S HN 0.277 nan 8.310 nan 0.000 0.466 186 Y N 1.580 121.973 120.300 0.155 0.000 2.200 186 Y HA 0.045 4.595 4.550 0.000 0.000 0.290 186 Y C 2.573 178.565 175.900 0.154 0.000 1.137 186 Y CA 2.154 60.354 58.100 0.168 0.000 1.163 186 Y CB -0.330 38.191 38.460 0.101 0.000 0.988 186 Y HN 0.818 nan 8.280 nan 0.000 0.518 187 R N -0.155 120.271 120.500 -0.124 0.000 2.091 187 R HA -0.138 4.202 4.340 0.001 0.000 0.238 187 R C 2.074 178.256 176.300 -0.195 0.000 1.136 187 R CA 1.925 57.896 56.100 -0.216 0.000 0.959 187 R CB -0.718 29.573 30.300 -0.015 0.000 0.856 187 R HN 0.341 nan 8.270 nan 0.000 0.437 188 V N 0.034 119.903 119.914 -0.076 0.000 2.407 188 V HA -0.263 3.857 4.120 0.001 0.000 0.248 188 V C 2.192 178.271 176.094 -0.024 0.000 1.055 188 V CA 2.227 64.494 62.300 -0.055 0.000 1.049 188 V CB -0.680 31.148 31.823 0.009 0.000 0.662 188 V HN 0.534 nan 8.190 nan 0.000 0.455 189 H N -0.256 118.733 119.070 -0.135 0.000 2.321 189 H HA -0.217 4.339 4.556 0.000 0.000 0.300 189 H C 2.497 177.721 175.328 -0.172 0.000 1.087 189 H CA 1.780 57.766 56.048 -0.104 0.000 1.319 189 H CB 0.288 30.030 29.762 -0.034 0.000 1.379 189 H HN 0.527 nan 8.280 nan 0.000 0.501 190 E N 0.180 120.185 120.200 -0.325 0.000 2.077 190 E HA -0.170 4.180 4.350 0.001 0.000 0.193 190 E C 2.316 178.813 176.600 -0.171 0.000 0.989 190 E CA 0.816 57.019 56.400 -0.327 0.000 0.800 190 E CB -0.107 29.320 29.700 -0.456 0.000 0.746 190 E HN 0.557 nan 8.360 nan 0.000 0.452 191 A N 0.561 123.290 122.820 -0.152 0.000 1.877 191 A HA -0.144 4.177 4.320 0.001 0.000 0.216 191 A C 2.423 179.938 177.584 -0.115 0.000 1.186 191 A CA 1.502 53.470 52.037 -0.116 0.000 0.620 191 A CB -0.776 18.155 19.000 -0.114 0.000 0.822 191 A HN 0.223 nan 8.150 nan 0.000 0.443 192 V N -0.350 119.500 119.914 -0.106 0.000 2.287 192 V HA -0.249 3.871 4.120 0.001 0.000 0.248 192 V C 2.579 178.566 176.094 -0.180 0.000 1.053 192 V CA 2.113 64.326 62.300 -0.145 0.000 1.027 192 V CB -0.779 30.993 31.823 -0.086 0.000 0.646 192 V HN 0.376 nan 8.190 nan 0.000 0.447 193 V N -0.696 119.156 119.914 -0.104 0.000 2.358 193 V HA -0.232 3.888 4.120 0.001 0.000 0.246 193 V C 2.633 178.619 176.094 -0.181 0.000 1.047 193 V CA 2.258 64.472 62.300 -0.143 0.000 1.035 193 V CB -0.532 31.280 31.823 -0.018 0.000 0.658 193 V HN 0.597 nan 8.190 nan 0.000 0.452 194 S N 0.206 115.836 115.700 -0.116 0.000 2.382 194 S HA -0.117 4.353 4.470 0.001 0.000 0.228 194 S C 2.062 176.608 174.600 -0.090 0.000 1.027 194 S CA 1.634 59.785 58.200 -0.082 0.000 0.991 194 S CB -0.511 62.652 63.200 -0.062 0.000 0.823 194 S HN 0.649 nan 8.310 nan 0.000 0.469 195 G N 1.505 110.249 108.800 -0.094 0.000 2.421 195 G HA2 -0.103 3.858 3.960 0.001 0.000 0.216 195 G HA3 -0.103 3.858 3.960 0.001 0.000 0.216 195 G C 1.413 176.316 174.900 0.005 0.000 1.171 195 G CA 0.813 45.908 45.100 -0.008 0.000 0.775 195 G HN 0.500 nan 8.290 nan 0.000 0.543 196 L N 0.268 121.370 121.223 -0.202 0.000 2.012 196 L HA -0.123 4.217 4.340 0.001 0.000 0.210 196 L C 2.851 179.420 176.870 -0.501 0.000 1.073 196 L CA 1.806 56.336 54.840 -0.517 0.000 0.748 196 L CB -0.319 40.917 42.059 -1.372 0.000 0.891 196 L HN 0.240 nan 8.230 nan 0.000 0.431 197 K N -0.256 119.904 120.400 -0.400 0.000 2.057 197 K HA -0.192 4.129 4.320 0.001 0.000 0.207 197 K C 1.934 178.536 176.600 0.004 0.000 1.049 197 K CA 1.418 57.684 56.287 -0.034 0.000 0.931 197 K CB 0.142 32.676 32.500 0.056 0.000 0.714 197 K HN 0.290 nan 8.250 nan 0.000 0.440 198 E N 0.169 120.350 120.200 -0.032 0.000 2.140 198 E HA -0.069 4.281 4.350 0.001 0.000 0.191 198 E C 0.726 177.306 176.600 -0.033 0.000 0.973 198 E CA 0.855 57.248 56.400 -0.013 0.000 0.829 198 E CB 0.251 29.949 29.700 -0.004 0.000 0.781 198 E HN 0.401 nan 8.360 nan 0.000 0.466 199 D N -0.526 119.833 120.400 -0.068 0.000 2.500 199 D HA 0.033 4.673 4.640 0.001 0.000 0.217 199 D C -0.068 175.920 176.300 -0.520 0.000 1.159 199 D CA -0.370 53.535 54.000 -0.159 0.000 0.828 199 D CB 0.011 40.824 40.800 0.022 0.000 1.039 199 D HN -0.033 nan 8.370 nan 0.000 0.512 200 F N 2.899 122.409 119.950 -0.733 0.000 2.602 200 F HA 0.122 4.649 4.527 0.000 0.000 0.385 200 F C -1.358 174.168 175.800 -0.458 0.000 1.063 200 F CA -1.702 55.753 58.000 -0.908 0.000 1.233 200 F CB 0.994 39.719 39.000 -0.459 0.000 1.067 200 F HN -0.196 nan 8.300 nan 0.000 0.564 201 P HA -0.016 nan 4.420 nan 0.000 0.218 201 P C 0.749 177.655 177.300 -0.656 0.000 1.149 201 P CA 1.333 64.021 63.100 -0.687 0.000 0.817 201 P CB 0.025 31.397 31.700 -0.547 0.000 0.785 202 G N -1.177 106.897 108.800 -1.211 0.000 2.714 202 G HA2 0.222 4.182 3.960 0.001 0.000 0.197 202 G HA3 0.222 4.182 3.960 0.001 0.000 0.197 202 G C -0.796 174.177 174.900 0.121 0.000 1.449 202 G CA -0.302 44.577 45.100 -0.368 0.000 1.065 202 G HN 0.087 nan 8.290 nan 0.000 0.575 203 C N 0.105 119.639 119.300 0.391 0.000 2.225 203 C HA 0.391 4.851 4.460 0.001 0.000 0.323 203 C C -0.341 174.883 174.990 0.390 0.000 1.164 203 C CA -0.856 58.354 59.018 0.320 0.000 1.565 203 C CB -1.353 26.490 27.740 0.172 0.000 2.124 203 C HN 0.418 nan 8.230 nan 0.000 0.461 204 F N 4.482 124.583 119.950 0.251 0.000 2.466 204 F HA 0.325 4.852 4.527 0.001 0.000 0.363 204 F C 1.211 177.012 175.800 0.001 0.000 1.109 204 F CA -0.457 57.544 58.000 0.002 0.000 1.161 204 F CB 0.873 39.854 39.000 -0.033 0.000 1.117 204 F HN 0.519 nan 8.300 nan 0.000 0.539 205 V N 3.732 123.346 119.914 -0.499 0.000 3.235 205 V HA 0.568 4.689 4.120 0.001 0.000 0.259 205 V C 0.948 176.716 176.094 -0.543 0.000 1.133 205 V CA 0.958 63.021 62.300 -0.394 0.000 1.128 205 V CB -0.957 30.738 31.823 -0.213 0.000 0.757 205 V HN 1.124 nan 8.190 nan 0.000 0.469 206 G N -0.937 107.229 108.800 -1.055 0.000 2.352 206 G HA2 0.391 4.351 3.960 0.001 0.000 0.283 206 G HA3 0.391 4.351 3.960 0.001 0.000 0.283 206 G C -0.811 173.814 174.900 -0.458 0.000 1.308 206 G CA 0.066 44.769 45.100 -0.662 0.000 0.892 206 G HN 0.649 nan 8.290 nan 0.000 0.504 207 T N -1.816 112.702 114.554 -0.060 0.000 2.903 207 T HA 0.611 4.961 4.350 0.001 0.000 0.299 207 T C 1.531 176.350 174.700 0.198 0.000 1.093 207 T CA 0.954 63.153 62.100 0.166 0.000 1.002 207 T CB 1.482 70.499 68.868 0.248 0.000 1.127 207 T HN 1.811 nan 8.240 nan 0.000 0.488 208 S N 2.772 118.658 115.700 0.309 0.000 2.470 208 S HA 0.054 4.525 4.470 0.001 0.000 0.225 208 S C 0.855 175.596 174.600 0.234 0.000 1.006 208 S CA -0.022 58.310 58.200 0.220 0.000 0.934 208 S CB -0.354 62.890 63.200 0.073 0.000 0.778 208 S HN 0.719 nan 8.310 nan 0.000 0.517 209 N N 1.915 120.767 118.700 0.254 0.000 2.405 209 N HA 0.096 4.837 4.740 0.001 0.000 0.260 209 N C 1.013 176.633 175.510 0.183 0.000 1.152 209 N CA 0.050 53.248 53.050 0.246 0.000 0.948 209 N CB 1.393 40.024 38.487 0.240 0.000 1.111 209 N HN 0.082 nan 8.380 nan 0.000 0.485 210 V N 3.815 123.861 119.914 0.221 0.000 2.343 210 V HA -0.218 3.903 4.120 0.001 0.000 0.247 210 V C 2.315 178.429 176.094 0.033 0.000 1.051 210 V CA 1.546 63.953 62.300 0.178 0.000 1.036 210 V CB -1.025 30.982 31.823 0.306 0.000 0.654 210 V HN 0.791 nan 8.190 nan 0.000 0.451 211 H N 0.328 119.401 119.070 0.006 0.000 2.319 211 H HA -0.136 4.421 4.556 0.001 0.000 0.299 211 H C 2.206 177.487 175.328 -0.078 0.000 1.092 211 H CA 2.072 58.083 56.048 -0.062 0.000 1.302 211 H CB -0.061 29.700 29.762 -0.002 0.000 1.373 211 H HN 0.362 nan 8.280 nan 0.000 0.497 212 L N 0.409 121.582 121.223 -0.084 0.000 2.141 212 L HA -0.106 4.235 4.340 0.001 0.000 0.209 212 L C 3.153 179.935 176.870 -0.147 0.000 1.094 212 L CA 0.777 55.534 54.840 -0.138 0.000 0.763 212 L CB -0.538 41.489 42.059 -0.055 0.000 0.908 212 L HN 0.310 nan 8.230 nan 0.000 0.437 213 A N 0.331 123.087 122.820 -0.107 0.000 1.902 213 A HA -0.247 4.074 4.320 0.001 0.000 0.217 213 A C 2.444 179.910 177.584 -0.198 0.000 1.181 213 A CA 1.868 53.859 52.037 -0.076 0.000 0.623 213 A CB -0.490 18.510 19.000 0.001 0.000 0.818 213 A HN 0.361 nan 8.150 nan 0.000 0.443 214 R N -0.439 119.740 120.500 -0.534 0.000 2.057 214 R HA -0.133 4.207 4.340 0.001 0.000 0.229 214 R C 2.244 178.304 176.300 -0.399 0.000 1.136 214 R CA 1.792 57.414 56.100 -0.796 0.000 0.952 214 R CB -0.261 29.211 30.300 -1.381 0.000 0.848 214 R HN 0.345 nan 8.270 nan 0.000 0.430 215 K N 0.855 121.000 120.400 -0.425 0.000 2.015 215 K HA -0.135 4.185 4.320 0.001 0.000 0.216 215 K C 1.665 178.171 176.600 -0.157 0.000 1.052 215 K CA 1.912 58.018 56.287 -0.302 0.000 0.937 215 K CB -0.390 31.866 32.500 -0.407 0.000 0.719 215 K HN 0.291 nan 8.250 nan 0.000 0.446 216 L N 0.495 121.643 121.223 -0.125 0.000 2.612 216 L HA 0.096 4.437 4.340 0.001 0.000 0.230 216 L C -0.070 176.792 176.870 -0.014 0.000 1.140 216 L CA 0.238 55.051 54.840 -0.046 0.000 0.896 216 L CB -0.545 41.506 42.059 -0.014 0.000 1.065 216 L HN 0.416 nan 8.230 nan 0.000 0.447 217 D N 1.209 121.590 120.400 -0.031 0.000 2.737 217 D HA -0.207 4.433 4.640 0.001 0.000 0.238 217 D C -0.651 175.672 176.300 0.039 0.000 1.157 217 D CA 0.716 54.727 54.000 0.019 0.000 0.694 217 D CB -0.891 39.924 40.800 0.026 0.000 1.021 217 D HN 0.208 nan 8.370 nan 0.000 0.420 218 L N -0.146 121.099 121.223 0.037 0.000 2.286 218 L HA 0.484 4.824 4.340 0.001 0.000 0.265 218 L C 0.872 177.751 176.870 0.014 0.000 1.012 218 L CA -1.325 53.533 54.840 0.030 0.000 0.818 218 L CB 1.274 43.363 42.059 0.051 0.000 1.337 218 L HN -0.046 nan 8.230 nan 0.000 0.438 219 K N 2.726 123.106 120.400 -0.034 0.000 2.339 219 K HA 0.249 4.569 4.320 0.001 0.000 0.286 219 K C -2.342 174.208 176.600 -0.083 0.000 1.050 219 K CA -1.451 54.805 56.287 -0.053 0.000 0.956 219 K CB 0.863 33.326 32.500 -0.061 0.000 0.990 219 K HN 0.190 nan 8.250 nan 0.000 0.475 220 P HA 0.111 nan 4.420 nan 0.000 0.282 220 P C -1.001 176.148 177.300 -0.252 0.000 1.262 220 P CA -0.052 62.873 63.100 -0.291 0.000 0.773 220 P CB 0.724 32.021 31.700 -0.672 0.000 0.879 221 L N 2.762 123.982 121.223 -0.006 0.000 2.334 221 L HA 0.897 5.237 4.340 0.001 0.000 0.276 221 L C 0.657 177.663 176.870 0.227 0.000 1.014 221 L CA -0.599 54.326 54.840 0.142 0.000 0.815 221 L CB 2.257 44.437 42.059 0.202 0.000 1.268 221 L HN 0.549 nan 8.230 nan 0.000 0.428 222 G N 0.045 108.978 108.800 0.222 0.000 2.289 222 G HA2 0.373 4.333 3.960 0.001 0.000 0.315 222 G HA3 0.373 4.333 3.960 0.001 0.000 0.315 222 G C -0.428 174.512 174.900 0.067 0.000 1.587 222 G CA 0.078 45.227 45.100 0.080 0.000 0.949 222 G HN 0.669 nan 8.290 nan 0.000 0.626 223 T N 0.137 114.663 114.554 -0.047 0.000 4.593 223 T HA 0.693 5.044 4.350 0.001 0.000 0.269 223 T C 1.129 175.792 174.700 -0.062 0.000 0.942 223 T CA 0.610 62.694 62.100 -0.028 0.000 1.517 223 T CB 0.089 68.909 68.868 -0.081 0.000 2.123 223 T HN 1.174 nan 8.240 nan 0.000 0.377 224 M N 0.166 119.636 119.600 -0.216 0.000 2.662 224 M HA 0.853 5.333 4.480 0.001 0.000 0.310 224 M C -0.847 175.334 176.300 -0.199 0.000 1.204 224 M CA -1.477 53.534 55.300 -0.482 0.000 0.891 224 M CB 2.091 34.077 32.600 -1.023 0.000 1.732 224 M HN 0.678 nan 8.290 nan 0.000 0.467 225 A N 0.098 122.774 122.820 -0.239 0.000 2.288 225 A HA 0.541 4.861 4.320 0.001 0.000 0.328 225 A C 0.042 177.589 177.584 -0.061 0.000 1.123 225 A CA -0.619 51.342 52.037 -0.128 0.000 0.861 225 A CB 0.222 19.034 19.000 -0.315 0.000 1.272 225 A HN 1.064 nan 8.150 nan 0.000 0.490 226 H N -0.056 119.046 119.070 0.053 0.000 2.387 226 H HA -0.144 4.412 4.556 0.001 0.000 0.299 226 H C 1.977 177.349 175.328 0.073 0.000 1.090 226 H CA 2.230 58.299 56.048 0.035 0.000 1.332 226 H CB 0.153 29.920 29.762 0.008 0.000 1.386 226 H HN 0.897 nan 8.280 nan 0.000 0.516 227 E N 0.579 120.929 120.200 0.251 0.000 2.160 227 E HA -0.255 4.096 4.350 0.001 0.000 0.195 227 E C 1.964 178.741 176.600 0.295 0.000 0.991 227 E CA 1.047 57.564 56.400 0.195 0.000 0.810 227 E CB -0.640 29.285 29.700 0.375 0.000 0.742 227 E HN 0.684 nan 8.360 nan 0.000 0.466 228 W N 1.857 123.299 121.300 0.237 0.000 2.355 228 W HA -0.167 4.493 4.660 -0.000 0.000 0.309 228 W C 1.741 178.445 176.519 0.307 0.000 1.206 228 W CA 1.124 58.689 57.345 0.367 0.000 1.284 228 W CB -0.165 29.401 29.460 0.176 0.000 1.145 228 W HN 0.116 nan 8.180 nan 0.000 0.502 229 L N 0.416 121.754 121.223 0.192 0.000 2.056 229 L HA -0.257 4.083 4.340 0.001 0.000 0.207 229 L C 2.788 179.663 176.870 0.009 0.000 1.078 229 L CA 1.512 56.375 54.840 0.038 0.000 0.749 229 L CB -0.800 41.282 42.059 0.038 0.000 0.901 229 L HN -0.069 nan 8.230 nan 0.000 0.433 230 M N -0.774 118.823 119.600 -0.005 0.000 2.086 230 M HA -0.189 4.292 4.480 0.001 0.000 0.261 230 M C 2.541 178.734 176.300 -0.179 0.000 1.067 230 M CA 1.872 57.126 55.300 -0.078 0.000 1.116 230 M CB -0.569 31.957 32.600 -0.123 0.000 1.348 230 M HN 0.310 nan 8.290 nan 0.000 0.407 231 A N -0.500 122.132 122.820 -0.313 0.000 1.940 231 A HA -0.204 4.116 4.320 0.001 0.000 0.219 231 A C 1.794 179.086 177.584 -0.487 0.000 1.176 231 A CA 1.516 53.211 52.037 -0.570 0.000 0.631 231 A CB -1.271 17.103 19.000 -1.043 0.000 0.814 231 A HN 0.532 nan 8.150 nan 0.000 0.446 232 H N -0.595 118.250 119.070 -0.375 0.000 2.560 232 H HA -0.059 4.497 4.556 0.001 0.000 0.283 232 H C 1.623 176.873 175.328 -0.131 0.000 1.028 232 H CA 1.349 57.225 56.048 -0.288 0.000 1.221 232 H CB 0.063 29.673 29.762 -0.255 0.000 1.363 232 H HN 0.700 nan 8.280 nan 0.000 0.594 233 Q N -0.182 119.611 119.800 -0.012 0.000 2.436 233 Q HA -0.062 4.278 4.340 0.001 0.000 0.209 233 Q C 1.211 177.233 176.000 0.038 0.000 0.965 233 Q CA 0.689 56.548 55.803 0.093 0.000 0.910 233 Q CB 0.484 29.340 28.738 0.197 0.000 0.980 233 Q HN 0.354 nan 8.270 nan 0.000 0.491 234 Q N -1.332 118.410 119.800 -0.096 0.000 2.081 234 Q HA 0.164 4.504 4.340 0.001 0.000 0.220 234 Q C 1.366 177.285 176.000 -0.135 0.000 0.775 234 Q CA 0.068 55.811 55.803 -0.100 0.000 0.983 234 Q CB 0.814 29.476 28.738 -0.126 0.000 1.188 234 Q HN 0.339 nan 8.270 nan 0.000 0.458 235 L N -0.717 120.362 121.223 -0.240 0.000 2.376 235 L HA 0.039 4.379 4.340 0.001 0.000 0.219 235 L C 1.395 178.208 176.870 -0.095 0.000 1.133 235 L CA 1.463 56.133 54.840 -0.284 0.000 0.816 235 L CB 0.128 41.761 42.059 -0.710 0.000 0.933 235 L HN 0.405 nan 8.230 nan 0.000 0.449 236 G N -1.433 107.348 108.800 -0.032 0.000 3.859 236 G HA2 -0.053 3.908 3.960 0.001 0.000 0.198 236 G HA3 -0.053 3.908 3.960 0.001 0.000 0.198 236 G C -1.976 172.958 174.900 0.056 0.000 0.972 236 G CA -0.278 44.843 45.100 0.035 0.000 0.882 236 G HN 0.187 nan 8.290 nan 0.000 0.364 237 P HA 0.510 nan 4.420 nan 0.000 0.276 237 P C -0.271 177.073 177.300 0.074 0.000 1.252 237 P CA -0.506 62.645 63.100 0.085 0.000 0.802 237 P CB 0.912 32.684 31.700 0.119 0.000 1.035 238 R N 0.167 120.704 120.500 0.061 0.000 2.698 238 R HA -0.008 4.332 4.340 0.001 0.000 0.266 238 R C 1.445 177.787 176.300 0.071 0.000 1.026 238 R CA -0.596 55.538 56.100 0.057 0.000 1.102 238 R CB -0.052 30.263 30.300 0.025 0.000 0.978 238 R HN 0.369 nan 8.270 nan 0.000 0.436 239 L N 3.290 124.572 121.223 0.099 0.000 2.013 239 L HA -0.220 4.120 4.340 0.001 0.000 0.212 239 L C 2.078 178.963 176.870 0.025 0.000 1.073 239 L CA 1.728 56.644 54.840 0.127 0.000 0.753 239 L CB -0.465 41.688 42.059 0.155 0.000 0.890 239 L HN 0.726 nan 8.230 nan 0.000 0.432 240 I N -0.994 119.447 120.570 -0.215 0.000 2.567 240 I HA -0.258 3.913 4.170 0.001 0.000 0.257 240 I C 0.928 176.896 176.117 -0.249 0.000 1.184 240 I CA 1.416 62.376 61.300 -0.568 0.000 1.451 240 I CB -0.168 37.526 38.000 -0.511 0.000 1.089 240 I HN 0.352 nan 8.210 nan 0.000 0.441 241 D N -0.486 119.894 120.400 -0.034 0.000 2.369 241 D HA 0.012 4.652 4.640 0.001 0.000 0.211 241 D C 2.209 178.591 176.300 0.137 0.000 1.077 241 D CA 0.825 54.861 54.000 0.059 0.000 0.842 241 D CB 0.348 41.179 40.800 0.052 0.000 0.947 241 D HN 0.413 nan 8.370 nan 0.000 0.509 242 S N 0.634 116.443 115.700 0.180 0.000 2.370 242 S HA -0.294 4.176 4.470 0.001 0.000 0.226 242 S C 1.981 176.661 174.600 0.132 0.000 1.033 242 S CA 1.180 59.489 58.200 0.182 0.000 1.011 242 S CB -0.298 63.024 63.200 0.204 0.000 0.852 242 S HN 0.245 nan 8.310 nan 0.000 0.457 243 Q N 1.102 121.005 119.800 0.172 0.000 2.079 243 Q HA -0.063 4.278 4.340 0.001 0.000 0.200 243 Q C 2.151 178.155 176.000 0.007 0.000 0.974 243 Q CA 1.736 57.580 55.803 0.067 0.000 0.840 243 Q CB -0.339 28.446 28.738 0.077 0.000 0.898 243 Q HN 0.632 nan 8.270 nan 0.000 0.430 244 S N 0.423 116.165 115.700 0.069 0.000 2.383 244 S HA -0.110 4.360 4.470 0.001 0.000 0.227 244 S C 1.980 176.689 174.600 0.181 0.000 1.026 244 S CA 0.888 59.148 58.200 0.099 0.000 0.981 244 S CB -0.362 62.995 63.200 0.262 0.000 0.818 244 S HN 0.581 nan 8.310 nan 0.000 0.472 245 A N 1.636 124.541 122.820 0.143 0.000 1.933 245 A HA 0.104 4.424 4.320 0.001 0.000 0.218 245 A C 2.346 179.916 177.584 -0.023 0.000 1.175 245 A CA 1.673 53.801 52.037 0.152 0.000 0.628 245 A CB -1.030 18.084 19.000 0.190 0.000 0.814 245 A HN 0.510 nan 8.150 nan 0.000 0.444 246 A N -0.228 122.388 122.820 -0.341 0.000 1.902 246 A HA -0.019 4.302 4.320 0.001 0.000 0.217 246 A C 2.154 179.847 177.584 0.182 0.000 1.181 246 A CA 1.458 53.065 52.037 -0.716 0.000 0.623 246 A CB -0.572 18.046 19.000 -0.636 0.000 0.818 246 A HN 0.472 nan 8.150 nan 0.000 0.443 247 L N -0.885 120.438 121.223 0.166 0.000 2.093 247 L HA -0.176 4.164 4.340 0.001 0.000 0.208 247 L C 2.338 179.593 176.870 0.643 0.000 1.085 247 L CA 1.739 56.785 54.840 0.342 0.000 0.755 247 L CB -0.569 41.324 42.059 -0.278 0.000 0.904 247 L HN 0.423 nan 8.230 nan 0.000 0.435 248 D N -0.785 119.979 120.400 0.607 0.000 2.117 248 D HA -0.217 4.423 4.640 0.001 0.000 0.198 248 D C 2.305 178.918 176.300 0.522 0.000 0.982 248 D CA 1.078 55.488 54.000 0.684 0.000 0.828 248 D CB -0.006 41.127 40.800 0.555 0.000 0.967 248 D HN 0.317 nan 8.370 nan 0.000 0.464 249 C N 0.042 119.654 119.300 0.520 0.000 2.440 249 C HA -0.062 4.398 4.460 0.001 0.000 0.278 249 C C 2.404 177.755 174.990 0.601 0.000 1.295 249 C CA 0.349 59.700 59.018 0.554 0.000 1.738 249 C CB -1.756 26.427 27.740 0.739 0.000 1.987 249 C HN 0.579 nan 8.230 nan 0.000 0.492 250 W N 0.636 122.260 121.300 0.540 0.000 2.379 250 W HA -0.068 4.592 4.660 -0.000 0.000 0.307 250 W C 2.092 178.726 176.519 0.192 0.000 1.200 250 W CA 1.700 59.233 57.345 0.312 0.000 1.297 250 W CB -0.479 29.173 29.460 0.319 0.000 1.140 250 W HN 0.163 nan 8.180 nan 0.000 0.507 251 V N 1.136 121.269 119.914 0.365 0.000 2.515 251 V HA -0.263 3.857 4.120 0.001 0.000 0.250 251 V C 2.402 178.519 176.094 0.038 0.000 1.058 251 V CA 2.096 64.461 62.300 0.108 0.000 1.064 251 V CB -0.827 31.091 31.823 0.159 0.000 0.675 251 V HN 0.027 nan 8.190 nan 0.000 0.461 252 R N 0.483 121.051 120.500 0.114 0.000 2.092 252 R HA -0.158 4.182 4.340 0.001 0.000 0.231 252 R C 2.188 178.429 176.300 -0.099 0.000 1.119 252 R CA 1.733 57.860 56.100 0.044 0.000 0.970 252 R CB -0.347 30.018 30.300 0.108 0.000 0.864 252 R HN 0.567 nan 8.270 nan 0.000 0.440 253 E N -1.034 119.045 120.200 -0.202 0.000 2.028 253 E HA -0.150 4.200 4.350 0.001 0.000 0.190 253 E C 0.879 177.046 176.600 -0.722 0.000 0.984 253 E CA 1.506 57.603 56.400 -0.505 0.000 0.800 253 E CB -0.209 29.039 29.700 -0.753 0.000 0.758 253 E HN 0.452 nan 8.360 nan 0.000 0.448 254 Y N 0.484 120.514 120.300 -0.451 0.000 2.457 254 Y HA 0.306 4.856 4.550 0.000 0.000 0.263 254 Y C 0.033 175.770 175.900 -0.272 0.000 1.164 254 Y CA 0.053 57.895 58.100 -0.430 0.000 1.274 254 Y CB 0.455 38.503 38.460 -0.686 0.000 1.097 254 Y HN -0.109 nan 8.280 nan 0.000 0.523 255 R N 0.436 120.865 120.500 -0.118 0.000 3.301 255 R HA -0.241 4.099 4.340 0.001 0.000 0.249 255 R C 1.227 177.477 176.300 -0.084 0.000 0.964 255 R CA 0.927 56.977 56.100 -0.084 0.000 0.653 255 R CB -2.365 27.896 30.300 -0.066 0.000 1.043 255 R HN 0.750 nan 8.270 nan 0.000 0.454 256 G N -1.782 106.947 108.800 -0.118 0.000 2.213 256 G HA2 -0.289 3.671 3.960 0.001 0.000 0.226 256 G HA3 -0.289 3.671 3.960 0.001 0.000 0.226 256 G C 0.223 175.053 174.900 -0.116 0.000 0.992 256 G CA 0.121 45.144 45.100 -0.128 0.000 0.632 256 G HN 0.266 nan 8.290 nan 0.000 0.511 257 L N 0.655 121.805 121.223 -0.122 0.000 2.400 257 L HA 0.670 5.010 4.340 0.001 0.000 0.264 257 L C 1.602 178.333 176.870 -0.233 0.000 1.061 257 L CA -0.956 53.778 54.840 -0.176 0.000 0.799 257 L CB 0.911 42.828 42.059 -0.237 0.000 1.240 257 L HN 0.187 nan 8.230 nan 0.000 0.461 258 L N 1.125 122.187 121.223 -0.268 0.000 3.739 258 L HA -0.214 4.126 4.340 0.001 0.000 0.442 258 L C 0.737 177.695 176.870 0.146 0.000 1.241 258 L CA 0.349 55.096 54.840 -0.155 0.000 0.819 258 L CB -1.727 40.069 42.059 -0.439 0.000 1.679 258 L HN 0.931 nan 8.230 nan 0.000 0.889 259 G N 0.942 109.797 108.800 0.092 0.000 3.741 259 G HA2 0.456 4.416 3.960 0.001 0.000 0.263 259 G HA3 0.456 4.416 3.960 0.001 0.000 0.263 259 G C 0.307 175.466 174.900 0.432 0.000 1.175 259 G CA -0.214 44.998 45.100 0.186 0.000 1.642 259 G HN 0.257 nan 8.290 nan 0.000 0.644 260 I N 1.449 122.232 120.570 0.357 0.000 2.382 260 I HA 0.503 4.673 4.170 0.001 0.000 0.286 260 I C 0.261 176.447 176.117 0.116 0.000 1.002 260 I CA -1.243 60.199 61.300 0.236 0.000 1.135 260 I CB 1.168 39.225 38.000 0.095 0.000 1.288 260 I HN 0.171 nan 8.210 nan 0.000 0.448 261 A N 7.276 130.076 122.820 -0.034 0.000 2.306 261 A HA 0.786 5.106 4.320 0.001 0.000 0.330 261 A C -0.511 176.830 177.584 -0.406 0.000 1.146 261 A CA -0.587 51.251 52.037 -0.333 0.000 0.827 261 A CB 1.103 19.672 19.000 -0.718 0.000 1.178 261 A HN 0.695 nan 8.150 nan 0.000 0.490 262 L N 1.177 122.127 121.223 -0.456 0.000 2.326 262 L HA 0.359 4.699 4.340 0.001 0.000 0.278 262 L C 1.512 177.930 176.870 -0.753 0.000 1.092 262 L CA 0.093 54.632 54.840 -0.502 0.000 0.810 262 L CB 1.844 43.597 42.059 -0.510 0.000 1.153 262 L HN 1.011 nan 8.230 nan 0.000 0.439 263 T N -3.729 110.373 114.554 -0.754 0.000 3.054 263 T HA 0.044 4.394 4.350 0.001 0.000 0.255 263 T C 0.473 174.927 174.700 -0.410 0.000 1.035 263 T CA -0.032 61.419 62.100 -1.082 0.000 0.941 263 T CB -0.086 68.314 68.868 -0.781 0.000 1.026 263 T HN 0.639 nan 8.240 nan 0.000 0.533 264 D N -0.050 120.209 120.400 -0.235 0.000 2.670 264 D HA 0.187 4.827 4.640 0.001 0.000 0.255 264 D C 1.379 177.651 176.300 -0.047 0.000 1.286 264 D CA -0.638 53.301 54.000 -0.102 0.000 0.830 264 D CB -0.651 40.096 40.800 -0.087 0.000 1.065 264 D HN 0.310 nan 8.370 nan 0.000 0.486 265 C N -0.070 119.200 119.300 -0.050 0.000 2.440 265 C HA -0.009 4.452 4.460 0.001 0.000 0.278 265 C C 1.726 176.636 174.990 -0.133 0.000 1.295 265 C CA 0.498 59.504 59.018 -0.020 0.000 1.738 265 C CB -0.640 27.081 27.740 -0.032 0.000 1.987 265 C HN 0.437 nan 8.230 nan 0.000 0.492 266 I N -0.056 120.384 120.570 -0.217 0.000 4.728 266 I HA 0.258 4.428 4.170 0.001 0.000 0.233 266 I C 1.038 177.047 176.117 -0.180 0.000 1.004 266 I CA 1.537 62.650 61.300 -0.312 0.000 1.677 266 I CB -1.362 36.230 38.000 -0.680 0.000 1.509 266 I HN 0.379 nan 8.210 nan 0.000 0.463 267 T N -2.895 111.572 114.554 -0.145 0.000 2.894 267 T HA 0.328 4.678 4.350 0.001 0.000 0.309 267 T C 0.458 175.156 174.700 -0.003 0.000 1.208 267 T CA -0.369 61.698 62.100 -0.055 0.000 1.016 267 T CB 1.898 70.746 68.868 -0.033 0.000 1.192 267 T HN 0.125 nan 8.240 nan 0.000 0.491 268 T N 1.330 115.907 114.554 0.039 0.000 2.759 268 T HA -0.114 4.236 4.350 0.001 0.000 0.269 268 T C 1.367 176.105 174.700 0.063 0.000 1.042 268 T CA 1.883 64.029 62.100 0.076 0.000 1.140 268 T CB -0.536 68.432 68.868 0.166 0.000 0.864 268 T HN 0.708 nan 8.240 nan 0.000 0.455 269 D N 1.215 121.638 120.400 0.038 0.000 2.117 269 D HA -0.032 4.609 4.640 0.001 0.000 0.197 269 D C 2.365 178.680 176.300 0.025 0.000 0.987 269 D CA 1.289 55.299 54.000 0.017 0.000 0.829 269 D CB -0.511 40.299 40.800 0.017 0.000 0.961 269 D HN 0.416 nan 8.370 nan 0.000 0.460 270 A N 0.370 123.218 122.820 0.046 0.000 1.902 270 A HA -0.173 4.147 4.320 0.001 0.000 0.217 270 A C 2.143 179.775 177.584 0.080 0.000 1.181 270 A CA 1.087 53.178 52.037 0.090 0.000 0.623 270 A CB -1.027 18.017 19.000 0.073 0.000 0.818 270 A HN 0.247 nan 8.150 nan 0.000 0.443 271 F N 0.634 120.526 119.950 -0.098 0.000 2.046 271 F HA -0.187 4.340 4.527 0.000 0.000 0.297 271 F C 1.935 177.647 175.800 -0.146 0.000 1.123 271 F CA 1.685 59.601 58.000 -0.140 0.000 1.199 271 F CB -0.169 38.699 39.000 -0.221 0.000 0.972 271 F HN 0.100 nan 8.300 nan 0.000 0.474 272 L N 0.591 121.765 121.223 -0.082 0.000 2.127 272 L HA -0.204 4.136 4.340 0.001 0.000 0.211 272 L C 2.464 179.154 176.870 -0.301 0.000 1.089 272 L CA 1.616 56.234 54.840 -0.370 0.000 0.757 272 L CB -1.476 40.329 42.059 -0.423 0.000 0.899 272 L HN 0.267 nan 8.230 nan 0.000 0.434 273 R N -0.121 120.308 120.500 -0.119 0.000 2.105 273 R HA -0.150 4.191 4.340 0.001 0.000 0.239 273 R C 1.117 177.418 176.300 0.003 0.000 1.135 273 R CA 1.326 57.411 56.100 -0.026 0.000 0.967 273 R CB -0.079 30.225 30.300 0.007 0.000 0.861 273 R HN 0.430 nan 8.270 nan 0.000 0.442 274 D N -0.778 119.599 120.400 -0.040 0.000 2.369 274 D HA -0.023 4.617 4.640 0.001 0.000 0.211 274 D C -0.254 176.101 176.300 0.090 0.000 1.077 274 D CA 0.118 54.133 54.000 0.025 0.000 0.842 274 D CB 0.114 40.933 40.800 0.032 0.000 0.947 274 D HN -0.001 nan 8.370 nan 0.000 0.509 275 F N 3.824 123.622 119.950 -0.255 0.000 2.626 275 F HA 0.093 4.620 4.527 0.001 0.000 0.353 275 F C 0.649 176.581 175.800 0.220 0.000 1.230 275 F CA -1.437 56.469 58.000 -0.156 0.000 1.298 275 F CB -0.564 38.161 39.000 -0.459 0.000 1.670 275 F HN -0.173 nan 8.300 nan 0.000 0.633 276 D N 1.179 121.688 120.400 0.182 0.000 2.356 276 D HA -0.091 4.550 4.640 0.001 0.000 0.258 276 D C 1.590 177.863 176.300 -0.046 0.000 1.279 276 D CA -0.376 53.672 54.000 0.079 0.000 1.016 276 D CB 0.218 41.050 40.800 0.053 0.000 1.107 276 D HN 0.326 nan 8.370 nan 0.000 0.544 277 L N -0.497 120.705 121.223 -0.034 0.000 2.042 277 L HA -0.147 4.193 4.340 0.001 0.000 0.210 277 L C 2.389 179.232 176.870 -0.044 0.000 1.076 277 L CA 1.601 56.412 54.840 -0.048 0.000 0.749 277 L CB -1.235 40.810 42.059 -0.023 0.000 0.893 277 L HN 0.591 nan 8.230 nan 0.000 0.432 278 Y N -0.807 119.385 120.300 -0.179 0.000 2.053 278 Y HA -0.347 4.202 4.550 -0.000 0.000 0.277 278 Y C 2.182 177.983 175.900 -0.165 0.000 1.159 278 Y CA 2.233 60.198 58.100 -0.225 0.000 1.125 278 Y CB -0.560 37.670 38.460 -0.382 0.000 0.969 278 Y HN 0.186 nan 8.280 nan 0.000 0.492 279 F N 0.103 120.063 119.950 0.016 0.000 2.146 279 F HA -0.058 4.469 4.527 0.000 0.000 0.298 279 F C 2.639 178.263 175.800 -0.294 0.000 1.096 279 F CA 1.073 59.050 58.000 -0.040 0.000 1.275 279 F CB -1.400 37.616 39.000 0.026 0.000 1.008 279 F HN 0.180 nan 8.300 nan 0.000 0.480 280 A N -0.270 122.235 122.820 -0.525 0.000 2.019 280 A HA -0.186 4.134 4.320 0.001 0.000 0.219 280 A C 2.236 179.860 177.584 0.066 0.000 1.164 280 A CA 1.543 53.339 52.037 -0.402 0.000 0.644 280 A CB -0.558 18.282 19.000 -0.267 0.000 0.805 280 A HN 0.344 nan 8.150 nan 0.000 0.449 281 K N -0.655 119.737 120.400 -0.012 0.000 2.076 281 K HA 0.126 4.447 4.320 0.001 0.000 0.204 281 K C 1.843 178.440 176.600 -0.006 0.000 1.051 281 K CA 0.924 57.206 56.287 -0.008 0.000 0.949 281 K CB -0.263 32.198 32.500 -0.065 0.000 0.726 281 K HN 0.429 nan 8.250 nan 0.000 0.443 282 L N 0.182 121.372 121.223 -0.056 0.000 2.005 282 L HA -0.087 4.253 4.340 0.001 0.000 0.207 282 L C 0.786 177.627 176.870 -0.048 0.000 1.072 282 L CA 0.781 55.551 54.840 -0.117 0.000 0.744 282 L CB -0.296 41.609 42.059 -0.257 0.000 0.895 282 L HN 0.008 nan 8.230 nan 0.000 0.433 283 F N 0.774 120.834 119.950 0.183 0.000 2.518 283 F HA -0.060 4.466 4.527 -0.001 0.000 0.359 283 F C 1.448 177.381 175.800 0.221 0.000 1.118 283 F CA 0.100 58.259 58.000 0.265 0.000 1.287 283 F CB 0.316 39.587 39.000 0.452 0.000 1.132 283 F HN 0.008 nan 8.300 nan 0.000 0.587 284 D N 1.324 121.914 120.400 0.317 0.000 2.323 284 D HA 0.186 4.827 4.640 0.001 0.000 0.209 284 D C 1.022 177.458 176.300 0.227 0.000 0.973 284 D CA 0.800 54.920 54.000 0.200 0.000 0.874 284 D CB 0.402 41.273 40.800 0.119 0.000 0.930 284 D HN 0.671 nan 8.370 nan 0.000 0.521 285 G N -0.714 108.288 108.800 0.337 0.000 2.341 285 G HA2 0.482 4.443 3.960 0.001 0.000 0.299 285 G HA3 0.482 4.443 3.960 0.001 0.000 0.299 285 G C -1.966 173.074 174.900 0.233 0.000 1.274 285 G CA -0.827 44.442 45.100 0.283 0.000 0.853 285 G HN 0.037 nan 8.290 nan 0.000 0.493 286 L N -0.372 120.936 121.223 0.142 0.000 2.393 286 L HA 0.749 5.089 4.340 0.001 0.000 0.260 286 L C -0.075 176.863 176.870 0.114 0.000 1.002 286 L CA -0.958 53.913 54.840 0.052 0.000 0.818 286 L CB 2.668 44.708 42.059 -0.032 0.000 1.369 286 L HN 0.660 nan 8.230 nan 0.000 0.412 287 R N 0.945 121.430 120.500 -0.024 0.000 2.393 287 R HA 0.353 4.693 4.340 0.001 0.000 0.310 287 R C -0.904 175.141 176.300 -0.426 0.000 0.968 287 R CA -0.527 55.465 56.100 -0.180 0.000 0.867 287 R CB 1.046 31.237 30.300 -0.182 0.000 1.124 287 R HN 0.652 nan 8.270 nan 0.000 0.450 288 H N 2.957 121.439 119.070 -0.979 0.000 2.517 288 H HA 0.143 4.699 4.556 0.001 0.000 0.317 288 H C -0.951 174.008 175.328 -0.615 0.000 1.080 288 H CA -0.020 55.179 56.048 -1.415 0.000 1.301 288 H CB 1.755 30.343 29.762 -1.955 0.000 1.425 288 H HN 0.810 nan 8.280 nan 0.000 0.471 289 D N 2.670 122.475 120.400 -0.991 0.000 2.525 289 D HA 0.055 4.696 4.640 0.001 0.000 0.231 289 D C -0.687 175.280 176.300 -0.555 0.000 1.216 289 D CA 0.106 53.757 54.000 -0.581 0.000 0.813 289 D CB 0.727 41.414 40.800 -0.189 0.000 1.108 289 D HN 0.543 nan 8.370 nan 0.000 0.524 290 S N -1.396 113.857 115.700 -0.746 0.000 2.547 290 S HA 0.709 5.180 4.470 0.001 0.000 0.270 290 S C 0.287 174.794 174.600 -0.156 0.000 1.150 290 S CA -0.235 57.757 58.200 -0.347 0.000 0.850 290 S CB 1.529 64.613 63.200 -0.193 0.000 1.118 290 S HN 0.514 nan 8.310 nan 0.000 0.461 291 G N 1.211 110.023 108.800 0.019 0.000 2.782 291 G HA2 -0.050 3.911 3.960 0.001 0.000 0.228 291 G HA3 -0.050 3.911 3.960 0.001 0.000 0.228 291 G C -0.746 174.315 174.900 0.269 0.000 1.372 291 G CA -0.168 45.016 45.100 0.140 0.000 0.862 291 G HN 1.168 nan 8.290 nan 0.000 0.547 292 D N 1.436 121.951 120.400 0.191 0.000 2.412 292 D HA 0.174 4.814 4.640 0.001 0.000 0.257 292 D C -0.018 176.348 176.300 0.110 0.000 1.217 292 D CA -0.690 53.395 54.000 0.141 0.000 0.897 292 D CB 1.158 42.022 40.800 0.107 0.000 1.132 292 D HN 0.130 nan 8.370 nan 0.000 0.493 293 P HA -0.147 nan 4.420 nan 0.000 0.216 293 P C 1.799 179.144 177.300 0.076 0.000 1.150 293 P CA 0.781 63.675 63.100 -0.343 0.000 0.837 293 P CB 0.382 31.918 31.700 -0.272 0.000 0.786 294 L N -1.478 119.783 121.223 0.064 0.000 2.131 294 L HA -0.085 4.255 4.340 0.001 0.000 0.206 294 L C 2.694 179.646 176.870 0.136 0.000 1.087 294 L CA 0.589 55.489 54.840 0.100 0.000 0.767 294 L CB -0.943 41.145 42.059 0.047 0.000 0.917 294 L HN -0.024 nan 8.230 nan 0.000 0.441 295 L N -0.528 120.777 121.223 0.137 0.000 2.056 295 L HA -0.181 4.159 4.340 0.001 0.000 0.207 295 L C 2.266 179.239 176.870 0.171 0.000 1.078 295 L CA 1.674 56.591 54.840 0.129 0.000 0.749 295 L CB -0.767 41.362 42.059 0.118 0.000 0.901 295 L HN 0.304 nan 8.230 nan 0.000 0.433 296 W N 0.591 121.909 121.300 0.030 0.000 2.335 296 W HA -0.263 4.399 4.660 0.003 0.000 0.311 296 W C 2.353 178.898 176.519 0.044 0.000 1.213 296 W CA 2.832 60.198 57.345 0.036 0.000 1.274 296 W CB -0.507 28.987 29.460 0.056 0.000 1.148 296 W HN 0.260 nan 8.180 nan 0.000 0.498 297 A N -0.026 122.946 122.820 0.254 0.000 1.902 297 A HA -0.251 4.070 4.320 0.001 0.000 0.217 297 A C 1.823 179.383 177.584 -0.040 0.000 1.181 297 A CA 2.156 54.236 52.037 0.071 0.000 0.623 297 A CB -1.050 18.168 19.000 0.365 0.000 0.818 297 A HN 0.397 nan 8.150 nan 0.000 0.443 298 E N 0.247 120.460 120.200 0.022 0.000 2.051 298 E HA -0.167 4.184 4.350 0.001 0.000 0.192 298 E C 1.992 178.571 176.600 -0.034 0.000 0.991 298 E CA 1.810 58.218 56.400 0.012 0.000 0.799 298 E CB -0.184 29.536 29.700 0.034 0.000 0.748 298 E HN 0.625 nan 8.360 nan 0.000 0.449 299 K N -0.602 119.752 120.400 -0.075 0.000 2.032 299 K HA -0.137 4.183 4.320 0.001 0.000 0.209 299 K C 2.340 178.838 176.600 -0.169 0.000 1.048 299 K CA 1.900 58.125 56.287 -0.103 0.000 0.927 299 K CB -0.458 31.973 32.500 -0.115 0.000 0.712 299 K HN 0.379 nan 8.250 nan 0.000 0.441 300 T N -0.118 114.222 114.554 -0.358 0.000 2.821 300 T HA -0.070 4.281 4.350 0.001 0.000 0.267 300 T C 2.016 176.625 174.700 -0.151 0.000 1.046 300 T CA 0.889 62.743 62.100 -0.410 0.000 1.139 300 T CB -0.385 68.030 68.868 -0.754 0.000 0.871 300 T HN 0.084 nan 8.240 nan 0.000 0.454 301 I N 1.891 122.444 120.570 -0.029 0.000 2.202 301 I HA -0.068 4.102 4.170 0.001 0.000 0.242 301 I C 3.247 179.437 176.117 0.121 0.000 1.091 301 I CA 1.177 62.557 61.300 0.133 0.000 1.368 301 I CB -0.655 37.400 38.000 0.091 0.000 1.058 301 I HN 0.341 nan 8.210 nan 0.000 0.410 302 A N 0.058 122.914 122.820 0.060 0.000 1.933 302 A HA -0.306 4.015 4.320 0.001 0.000 0.218 302 A C 2.167 179.797 177.584 0.077 0.000 1.175 302 A CA 2.060 54.135 52.037 0.062 0.000 0.628 302 A CB -0.963 18.063 19.000 0.044 0.000 0.814 302 A HN 0.509 nan 8.150 nan 0.000 0.444 303 H N -1.925 117.120 119.070 -0.041 0.000 2.353 303 H HA -0.150 4.408 4.556 0.003 0.000 0.300 303 H C 1.724 177.056 175.328 0.006 0.000 1.090 303 H CA 2.126 58.143 56.048 -0.052 0.000 1.327 303 H CB -0.294 29.391 29.762 -0.128 0.000 1.383 303 H HN 0.519 nan 8.280 nan 0.000 0.508 304 Y N 0.188 120.520 120.300 0.053 0.000 2.145 304 Y HA -0.172 4.378 4.550 -0.001 0.000 0.286 304 Y C 2.626 178.501 175.900 -0.042 0.000 1.145 304 Y CA 1.326 59.430 58.100 0.005 0.000 1.148 304 Y CB -0.671 37.827 38.460 0.063 0.000 0.981 304 Y HN 0.185 nan 8.280 nan 0.000 0.507 305 L N -0.037 121.274 121.223 0.147 0.000 2.012 305 L HA -0.279 4.061 4.340 0.001 0.000 0.210 305 L C 2.526 179.407 176.870 0.017 0.000 1.073 305 L CA 1.863 56.745 54.840 0.069 0.000 0.748 305 L CB -0.601 41.494 42.059 0.059 0.000 0.891 305 L HN 0.154 nan 8.230 nan 0.000 0.431 306 K N 0.755 121.146 120.400 -0.016 0.000 2.074 306 K HA -0.197 4.124 4.320 0.001 0.000 0.209 306 K C 1.991 178.544 176.600 -0.078 0.000 1.048 306 K CA 1.448 57.706 56.287 -0.048 0.000 0.926 306 K CB -0.122 32.339 32.500 -0.065 0.000 0.713 306 K HN 0.272 nan 8.250 nan 0.000 0.444 307 L N -0.295 120.853 121.223 -0.126 0.000 2.552 307 L HA 0.056 4.396 4.340 0.001 0.000 0.227 307 L C 1.147 177.998 176.870 -0.031 0.000 1.146 307 L CA 0.619 55.397 54.840 -0.104 0.000 0.858 307 L CB -0.126 41.847 42.059 -0.144 0.000 0.969 307 L HN 0.662 nan 8.230 nan 0.000 0.451 308 G N 0.831 109.627 108.800 -0.006 0.000 2.136 308 G HA2 -0.277 3.683 3.960 0.001 0.000 0.242 308 G HA3 -0.277 3.683 3.960 0.001 0.000 0.242 308 G C 0.134 175.043 174.900 0.014 0.000 0.989 308 G CA -0.192 44.911 45.100 0.004 0.000 0.682 308 G HN 0.289 nan 8.290 nan 0.000 0.522 309 I N 0.858 121.453 120.570 0.042 0.000 2.353 309 I HA 0.242 4.412 4.170 0.001 0.000 0.293 309 I C 0.131 176.247 176.117 -0.002 0.000 0.992 309 I CA -0.772 60.547 61.300 0.032 0.000 1.268 309 I CB 1.282 39.341 38.000 0.097 0.000 1.387 309 I HN 0.058 nan 8.210 nan 0.000 0.478 310 D N 8.888 129.264 120.400 -0.041 0.000 2.346 310 D HA 0.097 4.737 4.640 0.001 0.000 0.260 310 D C -1.721 174.506 176.300 -0.121 0.000 1.252 310 D CA -1.930 52.039 54.000 -0.052 0.000 0.895 310 D CB 1.332 42.108 40.800 -0.040 0.000 1.097 310 D HN 0.183 nan 8.370 nan 0.000 0.489 311 P HA -0.099 nan 4.420 nan 0.000 0.218 311 P C 1.435 178.662 177.300 -0.122 0.000 1.148 311 P CA 0.785 63.791 63.100 -0.157 0.000 0.822 311 P CB 0.171 31.867 31.700 -0.008 0.000 0.784 312 L N -1.098 120.088 121.223 -0.062 0.000 2.633 312 L HA -0.056 4.284 4.340 0.001 0.000 0.235 312 L C 1.708 178.553 176.870 -0.042 0.000 1.163 312 L CA 1.488 56.309 54.840 -0.032 0.000 0.859 312 L CB -1.050 41.003 42.059 -0.009 0.000 0.973 312 L HN 0.174 nan 8.230 nan 0.000 0.451 313 T N -5.001 109.504 114.554 -0.082 0.000 3.069 313 T HA 0.155 4.505 4.350 0.001 0.000 0.252 313 T C 0.743 175.389 174.700 -0.090 0.000 1.053 313 T CA -0.344 61.715 62.100 -0.069 0.000 0.964 313 T CB 0.357 69.184 68.868 -0.069 0.000 1.005 313 T HN -0.097 nan 8.240 nan 0.000 0.532 314 K N 1.260 121.573 120.400 -0.146 0.000 2.306 314 K HA 0.701 5.021 4.320 0.001 0.000 0.236 314 K C -0.742 175.837 176.600 -0.035 0.000 1.013 314 K CA -0.562 55.641 56.287 -0.140 0.000 0.857 314 K CB 1.805 34.040 32.500 -0.442 0.000 1.214 314 K HN 0.038 nan 8.250 nan 0.000 0.449 315 T N 1.080 115.653 114.554 0.033 0.000 2.886 315 T HA 0.531 4.881 4.350 0.001 0.000 0.292 315 T C -0.446 174.296 174.700 0.070 0.000 1.012 315 T CA -0.697 61.435 62.100 0.053 0.000 0.982 315 T CB 1.145 70.041 68.868 0.047 0.000 1.018 315 T HN 0.230 nan 8.240 nan 0.000 0.451 316 L N 2.638 123.888 121.223 0.044 0.000 2.313 316 L HA 0.691 5.031 4.340 0.001 0.000 0.283 316 L C -0.636 176.102 176.870 -0.221 0.000 1.013 316 L CA -1.155 53.674 54.840 -0.018 0.000 0.816 316 L CB 1.718 43.788 42.059 0.019 0.000 1.236 316 L HN 0.327 nan 8.230 nan 0.000 0.419 317 V N 3.317 123.066 119.914 -0.275 0.000 2.398 317 V HA 0.412 4.532 4.120 0.001 0.000 0.286 317 V C -0.481 175.325 176.094 -0.480 0.000 1.026 317 V CA -0.372 61.756 62.300 -0.287 0.000 0.868 317 V CB 1.377 33.150 31.823 -0.083 0.000 0.982 317 V HN 0.366 nan 8.190 nan 0.000 0.443 318 F N 3.000 122.879 119.950 -0.118 0.000 2.427 318 F HA 0.539 5.065 4.527 -0.000 0.000 0.346 318 F C 0.841 176.693 175.800 0.086 0.000 1.120 318 F CA -0.330 57.681 58.000 0.018 0.000 1.033 318 F CB 2.117 41.207 39.000 0.150 0.000 1.126 318 F HN 0.521 nan 8.300 nan 0.000 0.462 319 S N -0.465 115.362 115.700 0.212 0.000 3.093 319 S HA 0.098 4.568 4.470 0.001 0.000 0.251 319 S C -0.796 173.877 174.600 0.121 0.000 0.905 319 S CA -0.679 57.631 58.200 0.184 0.000 1.124 319 S CB -0.358 63.013 63.200 0.285 0.000 1.124 319 S HN 0.494 nan 8.310 nan 0.000 0.574 320 D N 2.582 123.044 120.400 0.104 0.000 2.494 320 D HA 0.471 5.112 4.640 0.001 0.000 0.217 320 D C 1.183 177.530 176.300 0.079 0.000 1.153 320 D CA 0.872 54.889 54.000 0.029 0.000 0.954 320 D CB -0.014 40.732 40.800 -0.090 0.000 1.034 320 D HN 0.624 nan 8.370 nan 0.000 0.518 321 G N 3.428 112.283 108.800 0.091 0.000 2.366 321 G HA2 -0.269 3.691 3.960 0.001 0.000 0.299 321 G HA3 -0.269 3.691 3.960 0.001 0.000 0.299 321 G C 0.221 175.195 174.900 0.124 0.000 1.020 321 G CA 0.286 45.469 45.100 0.138 0.000 1.026 321 G HN 0.506 nan 8.290 nan 0.000 0.512 322 L N 0.199 121.458 121.223 0.061 0.000 2.421 322 L HA 0.629 4.970 4.340 0.001 0.000 0.263 322 L C 0.543 177.261 176.870 -0.253 0.000 1.122 322 L CA -0.755 54.045 54.840 -0.067 0.000 0.804 322 L CB 0.881 42.939 42.059 -0.002 0.000 1.150 322 L HN 0.494 nan 8.230 nan 0.000 0.457 323 D N 0.406 120.579 120.400 -0.378 0.000 2.533 323 D HA 0.228 4.868 4.640 0.001 0.000 0.247 323 D C 0.662 176.795 176.300 -0.279 0.000 1.056 323 D CA -0.746 52.974 54.000 -0.468 0.000 1.054 323 D CB 0.969 41.385 40.800 -0.640 0.000 1.400 323 D HN 0.063 nan 8.370 nan 0.000 0.533 324 L N -0.390 120.721 121.223 -0.187 0.000 2.012 324 L HA -0.037 4.303 4.340 0.001 0.000 0.210 324 L C -0.605 176.244 176.870 -0.035 0.000 1.073 324 L CA 1.945 56.803 54.840 0.031 0.000 0.748 324 L CB -2.712 39.489 42.059 0.237 0.000 0.891 324 L HN 0.411 nan 8.230 nan 0.000 0.431 325 P HA -0.147 nan 4.420 nan 0.000 0.215 325 P C 1.829 179.081 177.300 -0.081 0.000 1.157 325 P CA 1.426 64.389 63.100 -0.228 0.000 0.868 325 P CB -0.055 31.348 31.700 -0.495 0.000 0.788 326 R N -0.641 119.776 120.500 -0.139 0.000 2.081 326 R HA -0.069 4.271 4.340 0.001 0.000 0.235 326 R C 2.293 178.539 176.300 -0.090 0.000 1.131 326 R CA 1.572 57.613 56.100 -0.098 0.000 0.960 326 R CB -1.031 29.202 30.300 -0.112 0.000 0.856 326 R HN 0.147 nan 8.270 nan 0.000 0.436 327 A N 1.127 123.873 122.820 -0.124 0.000 1.902 327 A HA -0.153 4.168 4.320 0.001 0.000 0.217 327 A C 2.061 179.484 177.584 -0.269 0.000 1.181 327 A CA 1.028 52.867 52.037 -0.330 0.000 0.623 327 A CB -0.471 18.285 19.000 -0.406 0.000 0.818 327 A HN 0.239 nan 8.150 nan 0.000 0.443 328 L N -0.066 121.107 121.223 -0.083 0.000 2.083 328 L HA -0.147 4.194 4.340 0.001 0.000 0.209 328 L C 2.176 179.056 176.870 0.016 0.000 1.083 328 L CA 2.141 56.884 54.840 -0.161 0.000 0.752 328 L CB -0.497 41.441 42.059 -0.201 0.000 0.899 328 L HN 0.342 nan 8.230 nan 0.000 0.433 329 K N -0.479 119.927 120.400 0.010 0.000 2.026 329 K HA -0.139 4.181 4.320 0.001 0.000 0.208 329 K C 2.104 178.721 176.600 0.028 0.000 1.048 329 K CA 1.905 58.205 56.287 0.021 0.000 0.929 329 K CB -0.324 32.178 32.500 0.003 0.000 0.713 329 K HN 0.361 nan 8.250 nan 0.000 0.439 330 I N 0.137 120.712 120.570 0.007 0.000 2.208 330 I HA -0.317 3.854 4.170 0.001 0.000 0.245 330 I C 2.407 178.615 176.117 0.151 0.000 1.097 330 I CA 1.275 62.563 61.300 -0.020 0.000 1.363 330 I CB -0.336 37.555 38.000 -0.181 0.000 1.051 330 I HN 0.150 nan 8.210 nan 0.000 0.413 331 Y N 1.885 122.308 120.300 0.205 0.000 2.128 331 Y HA -0.258 4.292 4.550 0.001 0.000 0.284 331 Y C 2.689 178.691 175.900 0.171 0.000 1.154 331 Y CA 1.648 59.957 58.100 0.348 0.000 1.149 331 Y CB -0.285 38.426 38.460 0.418 0.000 0.976 331 Y HN -0.040 nan 8.280 nan 0.000 0.505 332 R N -0.416 120.125 120.500 0.069 0.000 2.115 332 R HA -0.089 4.251 4.340 0.001 0.000 0.230 332 R C 2.457 178.715 176.300 -0.069 0.000 1.111 332 R CA 0.984 57.054 56.100 -0.050 0.000 0.976 332 R CB -0.434 29.878 30.300 0.020 0.000 0.870 332 R HN 0.441 nan 8.270 nan 0.000 0.445 333 A N 0.567 123.372 122.820 -0.025 0.000 1.897 333 A HA -0.042 4.279 4.320 0.001 0.000 0.215 333 A C 1.911 179.484 177.584 -0.018 0.000 1.181 333 A CA 0.979 53.007 52.037 -0.016 0.000 0.620 333 A CB -0.154 18.847 19.000 0.001 0.000 0.821 333 A HN 0.186 nan 8.150 nan 0.000 0.443 334 L N -0.142 121.073 121.223 -0.013 0.000 2.554 334 L HA 0.066 4.406 4.340 0.001 0.000 0.225 334 L C 0.975 177.821 176.870 -0.040 0.000 1.104 334 L CA -0.126 54.723 54.840 0.016 0.000 0.866 334 L CB -0.403 41.722 42.059 0.110 0.000 1.047 334 L HN 0.549 nan 8.230 nan 0.000 0.468 335 Q N 1.646 121.340 119.800 -0.177 0.000 2.304 335 Q HA 0.140 4.480 4.340 0.001 0.000 0.315 335 Q C 1.059 177.001 176.000 -0.096 0.000 1.075 335 Q CA 1.330 56.983 55.803 -0.249 0.000 0.988 335 Q CB 0.407 28.865 28.738 -0.466 0.000 1.146 335 Q HN 0.352 nan 8.270 nan 0.000 0.383 336 G N 3.710 112.484 108.800 -0.043 0.000 2.284 336 G HA2 -0.359 3.602 3.960 0.001 0.000 0.247 336 G HA3 -0.359 3.602 3.960 0.001 0.000 0.247 336 G C 1.000 175.906 174.900 0.009 0.000 1.012 336 G CA 0.380 45.475 45.100 -0.008 0.000 0.618 336 G HN 0.637 nan 8.290 nan 0.000 0.521 337 R N -0.344 120.165 120.500 0.015 0.000 2.173 337 R HA 0.640 4.980 4.340 0.001 0.000 0.208 337 R C 1.063 177.388 176.300 0.043 0.000 1.035 337 R CA 1.177 57.295 56.100 0.031 0.000 1.004 337 R CB 0.669 30.993 30.300 0.040 0.000 0.917 337 R HN 0.572 nan 8.270 nan 0.000 0.462 338 I N -0.375 120.227 120.570 0.054 0.000 2.890 338 I HA 0.094 4.264 4.170 0.001 0.000 0.301 338 I C -1.764 174.402 176.117 0.081 0.000 1.579 338 I CA -0.886 60.448 61.300 0.057 0.000 0.959 338 I CB 2.199 40.246 38.000 0.080 0.000 1.368 338 I HN -0.023 nan 8.210 nan 0.000 0.536 339 N N 3.180 121.923 118.700 0.072 0.000 2.525 339 N HA 0.576 5.317 4.740 0.001 0.000 0.271 339 N C -1.143 174.440 175.510 0.122 0.000 1.194 339 N CA -0.288 52.821 53.050 0.099 0.000 0.964 339 N CB 1.581 40.110 38.487 0.070 0.000 1.126 339 N HN 0.406 nan 8.380 nan 0.000 0.452 340 V N -1.621 118.385 119.914 0.154 0.000 2.971 340 V HA 0.912 5.032 4.120 0.001 0.000 0.309 340 V C -0.501 175.557 176.094 -0.060 0.000 1.130 340 V CA -0.882 61.475 62.300 0.095 0.000 0.964 340 V CB 1.614 33.581 31.823 0.240 0.000 1.029 340 V HN 0.794 nan 8.190 nan 0.000 0.427 341 S N 2.064 117.563 115.700 -0.334 0.000 2.607 341 S HA 0.935 5.406 4.470 0.001 0.000 0.273 341 S C -1.337 172.851 174.600 -0.686 0.000 1.148 341 S CA -0.684 57.304 58.200 -0.353 0.000 0.833 341 S CB 1.945 65.071 63.200 -0.123 0.000 1.130 341 S HN 0.916 nan 8.310 nan 0.000 0.470 342 F N -0.339 119.566 119.950 -0.074 0.000 2.603 342 F HA 0.830 5.358 4.527 0.001 0.000 0.317 342 F C 0.640 176.257 175.800 -0.305 0.000 1.066 342 F CA -0.614 57.331 58.000 -0.090 0.000 0.941 342 F CB 2.407 41.331 39.000 -0.126 0.000 1.291 342 F HN 1.001 nan 8.300 nan 0.000 0.472 343 G N 1.975 110.667 108.800 -0.180 0.000 2.702 343 G HA2 0.686 4.646 3.960 0.001 0.000 0.295 343 G HA3 0.686 4.646 3.960 0.001 0.000 0.295 343 G C -1.440 173.264 174.900 -0.328 0.000 1.446 343 G CA -0.426 44.221 45.100 -0.755 0.000 0.983 343 G HN 0.546 nan 8.290 nan 0.000 0.520 344 I N 2.143 122.540 120.570 -0.288 0.000 2.460 344 I HA 0.572 4.742 4.170 0.001 0.000 0.298 344 I C 1.076 177.168 176.117 -0.042 0.000 0.989 344 I CA -0.473 60.693 61.300 -0.223 0.000 1.173 344 I CB 2.374 39.976 38.000 -0.662 0.000 1.338 344 I HN 0.582 nan 8.210 nan 0.000 0.456 345 G N 1.974 110.791 108.800 0.028 0.000 2.694 345 G HA2 0.040 4.000 3.960 0.001 0.000 0.212 345 G HA3 0.040 4.000 3.960 0.001 0.000 0.212 345 G C 0.957 175.896 174.900 0.066 0.000 2.030 345 G CA 0.382 45.547 45.100 0.108 0.000 0.731 345 G HN 0.471 nan 8.290 nan 0.000 0.795 346 T N 0.978 115.537 114.554 0.008 0.000 2.778 346 T HA -0.150 4.200 4.350 0.001 0.000 0.269 346 T C 1.927 176.571 174.700 -0.093 0.000 1.050 346 T CA 1.500 63.565 62.100 -0.059 0.000 1.137 346 T CB -0.414 68.382 68.868 -0.121 0.000 0.860 346 T HN 0.315 nan 8.240 nan 0.000 0.468 347 H N -0.786 118.262 119.070 -0.036 0.000 2.545 347 H HA 0.141 4.698 4.556 0.001 0.000 0.282 347 H C 1.582 176.937 175.328 0.044 0.000 1.020 347 H CA 0.656 56.665 56.048 -0.065 0.000 1.243 347 H CB -0.114 29.544 29.762 -0.173 0.000 1.377 347 H HN 0.490 nan 8.280 nan 0.000 0.581 348 F N -0.157 119.821 119.950 0.048 0.000 2.490 348 F HA -0.068 4.459 4.527 0.000 0.000 0.280 348 F C 2.413 178.189 175.800 -0.040 0.000 1.030 348 F CA 0.717 58.716 58.000 -0.001 0.000 1.367 348 F CB 0.508 39.517 39.000 0.015 0.000 1.131 348 F HN 0.066 nan 8.300 nan 0.000 0.632 349 T N -3.585 111.063 114.554 0.157 0.000 3.129 349 T HA 0.010 4.360 4.350 0.001 0.000 0.251 349 T C 0.371 175.090 174.700 0.031 0.000 1.117 349 T CA 0.093 62.206 62.100 0.023 0.000 1.034 349 T CB -0.439 68.336 68.868 -0.156 0.000 0.968 349 T HN 0.206 nan 8.240 nan 0.000 0.526 350 C N 2.451 121.771 119.300 0.033 0.000 3.482 350 C HA 0.474 4.934 4.460 0.001 0.000 0.208 350 C C -1.092 173.884 174.990 -0.024 0.000 1.306 350 C CA -0.763 58.284 59.018 0.048 0.000 1.254 350 C CB -0.820 26.965 27.740 0.075 0.000 1.832 350 C HN 0.471 nan 8.230 nan 0.000 0.554 351 D N 3.041 123.397 120.400 -0.072 0.000 2.513 351 D HA 0.353 4.994 4.640 0.001 0.000 0.295 351 D C -0.588 175.598 176.300 -0.189 0.000 1.202 351 D CA -0.060 53.884 54.000 -0.093 0.000 0.849 351 D CB 0.275 41.059 40.800 -0.026 0.000 1.116 351 D HN 0.314 nan 8.370 nan 0.000 0.502 352 L N 2.294 123.349 121.223 -0.281 0.000 2.317 352 L HA 0.531 4.871 4.340 0.001 0.000 0.281 352 L C -2.069 174.623 176.870 -0.297 0.000 1.024 352 L CA -1.979 52.627 54.840 -0.390 0.000 0.810 352 L CB 1.533 43.159 42.059 -0.723 0.000 1.240 352 L HN 0.084 nan 8.230 nan 0.000 0.427 353 P HA 0.048 nan 4.420 nan 0.000 0.261 353 P C 0.808 177.998 177.300 -0.183 0.000 1.173 353 P CA 0.729 63.726 63.100 -0.170 0.000 0.760 353 P CB 0.505 32.123 31.700 -0.138 0.000 0.783 354 G N 1.547 110.273 108.800 -0.124 0.000 2.186 354 G HA2 -0.244 3.717 3.960 0.001 0.000 0.266 354 G HA3 -0.244 3.717 3.960 0.001 0.000 0.266 354 G C 0.097 174.902 174.900 -0.158 0.000 0.982 354 G CA 0.082 45.128 45.100 -0.091 0.000 0.670 354 G HN 0.532 nan 8.290 nan 0.000 0.533 355 V N 0.402 120.153 119.914 -0.272 0.000 2.370 355 V HA 0.522 4.642 4.120 0.001 0.000 0.283 355 V C 0.275 176.308 176.094 -0.101 0.000 1.023 355 V CA -0.649 61.418 62.300 -0.389 0.000 0.857 355 V CB 1.790 33.272 31.823 -0.569 0.000 0.985 355 V HN 0.396 nan 8.190 nan 0.000 0.443 356 E N 6.324 126.552 120.200 0.047 0.000 2.134 356 E HA 0.448 4.799 4.350 0.001 0.000 0.278 356 E C -2.478 174.186 176.600 0.108 0.000 0.959 356 E CA -1.896 54.546 56.400 0.070 0.000 0.783 356 E CB 1.578 31.331 29.700 0.089 0.000 1.095 356 E HN 0.479 nan 8.360 nan 0.000 0.399 357 P HA -0.036 nan 4.420 nan 0.000 0.268 357 P C -0.462 176.877 177.300 0.065 0.000 1.208 357 P CA 0.407 63.544 63.100 0.061 0.000 0.777 357 P CB 0.493 32.186 31.700 -0.011 0.000 0.875 358 M N 1.712 121.352 119.600 0.067 0.000 2.242 358 M HA 0.079 4.559 4.480 0.001 0.000 0.344 358 M C 0.682 177.010 176.300 0.048 0.000 1.140 358 M CA 0.499 55.839 55.300 0.067 0.000 1.160 358 M CB 0.176 32.817 32.600 0.068 0.000 1.491 358 M HN 0.321 nan 8.290 nan 0.000 0.459 359 N N 4.138 122.865 118.700 0.046 0.000 2.955 359 N HA 0.458 5.199 4.740 0.001 0.000 0.242 359 N C -1.482 174.028 175.510 -0.000 0.000 1.123 359 N CA -0.330 52.732 53.050 0.020 0.000 0.949 359 N CB 0.437 38.934 38.487 0.017 0.000 1.214 359 N HN 0.534 nan 8.380 nan 0.000 0.504 360 I N -0.266 120.302 120.570 -0.004 0.000 2.730 360 I HA 0.742 4.912 4.170 0.001 0.000 0.298 360 I C -1.259 174.811 176.117 -0.077 0.000 1.089 360 I CA -0.980 60.270 61.300 -0.083 0.000 1.041 360 I CB 1.952 39.999 38.000 0.078 0.000 1.235 360 I HN -0.006 nan 8.210 nan 0.000 0.423 361 V N 4.698 124.493 119.914 -0.199 0.000 3.188 361 V HA 0.604 4.725 4.120 0.001 0.000 0.305 361 V C -1.407 174.662 176.094 -0.041 0.000 1.232 361 V CA -0.431 61.835 62.300 -0.058 0.000 1.043 361 V CB 2.728 34.528 31.823 -0.038 0.000 1.068 361 V HN 0.618 nan 8.190 nan 0.000 0.439 362 V N 5.352 125.351 119.914 0.142 0.000 2.327 362 V HA 0.418 4.538 4.120 0.001 0.000 0.272 362 V C -0.181 176.170 176.094 0.429 0.000 1.019 362 V CA -0.662 61.803 62.300 0.274 0.000 0.814 362 V CB 1.202 33.192 31.823 0.278 0.000 1.040 362 V HN 0.917 nan 8.190 nan 0.000 0.440 363 K N 4.137 124.724 120.400 0.311 0.000 2.110 363 K HA 0.726 5.047 4.320 0.001 0.000 0.263 363 K C -0.150 176.477 176.600 0.045 0.000 0.975 363 K CA -0.754 55.663 56.287 0.217 0.000 0.895 363 K CB 2.184 34.705 32.500 0.035 0.000 1.060 363 K HN 0.536 nan 8.250 nan 0.000 0.448 364 M N 3.341 122.664 119.600 -0.461 0.000 2.219 364 M HA -0.013 4.468 4.480 0.001 0.000 0.353 364 M C 0.037 176.019 176.300 -0.531 0.000 1.304 364 M CA 0.392 55.048 55.300 -1.073 0.000 1.115 364 M CB 0.842 32.615 32.600 -1.377 0.000 1.664 364 M HN 1.004 nan 8.290 nan 0.000 0.459 365 S N 2.966 118.389 115.700 -0.461 0.000 2.549 365 S HA 0.607 5.078 4.470 0.001 0.000 0.225 365 S C 0.190 174.601 174.600 -0.316 0.000 1.039 365 S CA 0.020 58.046 58.200 -0.289 0.000 0.942 365 S CB 0.463 63.559 63.200 -0.173 0.000 0.881 365 S HN 0.871 nan 8.310 nan 0.000 0.503 366 A N -0.049 122.539 122.820 -0.386 0.000 2.608 366 A HA 0.696 5.017 4.320 0.001 0.000 0.292 366 A C -1.427 175.918 177.584 -0.398 0.000 1.066 366 A CA -0.575 51.248 52.037 -0.356 0.000 0.676 366 A CB 1.157 19.994 19.000 -0.273 0.000 1.277 366 A HN 0.693 nan 8.150 nan 0.000 0.413 367 C N 1.564 120.648 119.300 -0.359 0.000 2.535 367 C HA 0.698 5.158 4.460 0.001 0.000 0.319 367 C C -0.063 174.779 174.990 -0.246 0.000 1.171 367 C CA -0.202 58.596 59.018 -0.367 0.000 1.394 367 C CB 0.292 27.754 27.740 -0.463 0.000 1.990 367 C HN 1.080 nan 8.230 nan 0.000 0.466 368 N N 3.436 122.018 118.700 -0.197 0.000 2.727 368 N HA -0.185 4.555 4.740 0.001 0.000 0.249 368 N C 0.937 176.299 175.510 -0.246 0.000 1.048 368 N CA 2.058 55.024 53.050 -0.139 0.000 0.714 368 N CB -1.297 37.152 38.487 -0.063 0.000 0.959 368 N HN 1.958 nan 8.380 nan 0.000 0.544 369 G N -1.382 107.234 108.800 -0.306 0.000 2.168 369 G HA2 -0.325 3.635 3.960 0.001 0.000 0.263 369 G HA3 -0.325 3.635 3.960 0.001 0.000 0.263 369 G C -0.165 174.302 174.900 -0.723 0.000 0.977 369 G CA 0.929 45.748 45.100 -0.469 0.000 0.659 369 G HN 0.751 nan 8.290 nan 0.000 0.533 370 H N -0.094 118.859 119.070 -0.194 0.000 2.821 370 H HA 0.471 5.028 4.556 0.001 0.000 0.373 370 H C -2.444 172.661 175.328 -0.372 0.000 1.165 370 H CA -1.501 54.399 56.048 -0.245 0.000 1.154 370 H CB 2.204 31.840 29.762 -0.211 0.000 1.765 370 H HN 0.133 nan 8.280 nan 0.000 0.549 371 P HA 0.103 nan 4.420 nan 0.000 0.272 371 P C -0.356 176.371 177.300 -0.956 0.000 1.223 371 P CA -0.169 62.544 63.100 -0.645 0.000 0.784 371 P CB 1.306 32.604 31.700 -0.671 0.000 0.923 372 V N -2.246 117.307 119.914 -0.601 0.000 3.159 372 V HA 1.001 5.121 4.120 0.001 0.000 0.308 372 V C -1.057 174.997 176.094 -0.067 0.000 1.190 372 V CA -1.253 60.865 62.300 -0.304 0.000 1.037 372 V CB 1.457 33.115 31.823 -0.275 0.000 1.060 372 V HN 0.887 nan 8.190 nan 0.000 0.437 373 A N 1.542 124.435 122.820 0.121 0.000 2.608 373 A HA 0.815 5.136 4.320 0.001 0.000 0.292 373 A C -1.219 176.373 177.584 0.015 0.000 1.066 373 A CA -0.685 51.398 52.037 0.078 0.000 0.676 373 A CB 1.947 21.069 19.000 0.204 0.000 1.277 373 A HN 1.161 nan 8.150 nan 0.000 0.413 374 K N 1.462 121.836 120.400 -0.044 0.000 2.244 374 K HA 0.714 5.034 4.320 0.001 0.000 0.260 374 K C -0.361 176.188 176.600 -0.085 0.000 0.951 374 K CA -0.681 55.555 56.287 -0.086 0.000 0.826 374 K CB 1.010 33.415 32.500 -0.158 0.000 1.108 374 K HN 0.618 nan 8.250 nan 0.000 0.433 375 I N 1.580 122.092 120.570 -0.097 0.000 2.899 375 I HA -0.060 4.111 4.170 0.001 0.000 0.257 375 I C 0.247 176.310 176.117 -0.091 0.000 1.115 375 I CA 0.433 61.681 61.300 -0.086 0.000 1.451 375 I CB 0.066 38.008 38.000 -0.097 0.000 1.251 375 I HN 0.976 nan 8.210 nan 0.000 0.456 376 S N 1.267 116.907 115.700 -0.101 0.000 3.859 376 S HA -0.213 4.258 4.470 0.001 0.000 0.678 376 S C 0.007 174.571 174.600 -0.061 0.000 1.658 376 S CA 0.380 58.524 58.200 -0.093 0.000 1.761 376 S CB -0.933 62.193 63.200 -0.123 0.000 0.350 376 S HN 0.428 nan 8.310 nan 0.000 1.312 377 D N 1.083 121.456 120.400 -0.046 0.000 2.328 377 D HA 0.202 4.842 4.640 0.001 0.000 0.226 377 D C 0.332 176.629 176.300 -0.005 0.000 1.066 377 D CA 0.828 54.824 54.000 -0.006 0.000 0.861 377 D CB -0.075 40.748 40.800 0.038 0.000 0.912 377 D HN 0.585 nan 8.370 nan 0.000 0.521 378 T N 1.282 115.818 114.554 -0.029 0.000 2.779 378 T HA 0.509 4.859 4.350 0.001 0.000 0.280 378 T C -1.193 173.493 174.700 -0.023 0.000 0.987 378 T CA -0.957 61.130 62.100 -0.022 0.000 0.966 378 T CB 2.247 71.094 68.868 -0.035 0.000 0.933 378 T HN 0.015 nan 8.240 nan 0.000 0.442 388 D N -0.385 120.086 120.400 0.118 0.000 2.144 388 D HA -0.062 4.579 4.640 0.001 0.000 0.199 388 D C 1.743 178.181 176.300 0.230 0.000 0.984 388 D CA 1.067 55.151 54.000 0.140 0.000 0.834 388 D CB -0.212 40.640 40.800 0.086 0.000 0.955 388 D HN 0.136 nan 8.370 nan 0.000 0.465 389 F N 1.580 121.590 119.950 0.100 0.000 2.051 389 F HA -0.194 4.334 4.527 0.001 0.000 0.296 389 F C 2.177 178.073 175.800 0.160 0.000 1.122 389 F CA 1.058 59.133 58.000 0.126 0.000 1.201 389 F CB -0.435 38.605 39.000 0.067 0.000 0.978 389 F HN -0.206 nan 8.300 nan 0.000 0.472 390 I N 0.218 120.864 120.570 0.127 0.000 2.248 390 I HA -0.341 3.829 4.170 0.001 0.000 0.248 390 I C 2.676 178.792 176.117 -0.001 0.000 1.107 390 I CA 1.875 63.182 61.300 0.012 0.000 1.373 390 I CB -1.092 36.969 38.000 0.102 0.000 1.055 390 I HN 0.346 nan 8.210 nan 0.000 0.418 391 H N -0.977 118.098 119.070 0.008 0.000 2.389 391 H HA -0.231 4.326 4.556 0.001 0.000 0.299 391 H C 2.200 177.556 175.328 0.046 0.000 1.081 391 H CA 1.732 57.797 56.048 0.027 0.000 1.345 391 H CB -0.047 29.741 29.762 0.043 0.000 1.393 391 H HN 0.409 nan 8.280 nan 0.000 0.520 392 Y N 0.691 120.946 120.300 -0.074 0.000 2.263 392 Y HA -0.118 4.432 4.550 0.001 0.000 0.292 392 Y C 2.475 178.279 175.900 -0.161 0.000 1.130 392 Y CA 1.004 59.041 58.100 -0.106 0.000 1.179 392 Y CB -0.433 37.987 38.460 -0.066 0.000 0.998 392 Y HN 0.194 nan 8.280 nan 0.000 0.532 393 L N 1.015 122.053 121.223 -0.309 0.000 2.017 393 L HA -0.201 4.139 4.340 0.001 0.000 0.208 393 L C 2.145 178.928 176.870 -0.146 0.000 1.073 393 L CA 1.986 56.633 54.840 -0.322 0.000 0.745 393 L CB -0.740 41.034 42.059 -0.474 0.000 0.894 393 L HN 0.097 nan 8.230 nan 0.000 0.432 394 K N -1.555 118.755 120.400 -0.151 0.000 2.147 394 K HA -0.224 4.096 4.320 0.001 0.000 0.205 394 K C 2.202 178.722 176.600 -0.134 0.000 1.049 394 K CA 1.360 57.586 56.287 -0.102 0.000 0.936 394 K CB -0.435 32.003 32.500 -0.103 0.000 0.722 394 K HN 0.563 nan 8.250 nan 0.000 0.446 395 H N 0.875 119.753 119.070 -0.321 0.000 2.299 395 H HA -0.096 4.460 4.556 0.001 0.000 0.302 395 H C 1.969 177.103 175.328 -0.323 0.000 1.078 395 H CA 1.986 57.837 56.048 -0.328 0.000 1.323 395 H CB 0.139 29.669 29.762 -0.387 0.000 1.381 395 H HN 0.073 nan 8.280 nan 0.000 0.498 396 V N -1.523 118.045 119.914 -0.577 0.000 2.594 396 V HA -0.150 3.970 4.120 0.001 0.000 0.253 396 V C 1.912 177.660 176.094 -0.575 0.000 1.069 396 V CA 1.530 63.444 62.300 -0.643 0.000 1.082 396 V CB -1.274 30.131 31.823 -0.696 0.000 0.680 396 V HN 0.166 nan 8.190 nan 0.000 0.469 397 F N 0.843 120.610 119.950 -0.304 0.000 2.732 397 F HA 0.374 4.901 4.527 -0.000 0.000 0.303 397 F C 1.182 176.868 175.800 -0.190 0.000 1.110 397 F CA -0.094 57.783 58.000 -0.205 0.000 1.355 397 F CB -0.307 38.599 39.000 -0.157 0.000 1.081 397 F HN 0.212 nan 8.300 nan 0.000 0.565 398 Q N 0.842 120.563 119.800 -0.132 0.000 2.453 398 Q HA -0.160 4.180 4.340 0.001 0.000 0.330 398 Q C 0.111 176.083 176.000 -0.046 0.000 1.417 398 Q CA 0.370 56.098 55.803 -0.125 0.000 0.902 398 Q CB -1.934 26.738 28.738 -0.110 0.000 1.154 398 Q HN 0.445 nan 8.270 nan 0.000 0.395 399 V N 0.000 119.888 119.914 -0.043 0.000 2.409 399 V HA 0.000 4.120 4.120 0.001 0.000 0.244 399 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 399 V CB 0.000 31.809 31.823 -0.024 0.000 1.184 399 V HN 0.000 nan 8.190 nan 0.000 0.556