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 1yt3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNYQMITTDD ALASLCEAVR AFPAIALDTE FVRTRTYYPQ LGLIQLFDGE DATA SEQUENCE HLALIDPLGI TDWSPLKAIL RDPSITKFLH AGSEDLEVFL NVFGELPQPL DATA SEQUENCE IDTQILAAFC GRPMSWGFAS MVEEYSGVTL DKSESRTDWL ARPLTERQCE DATA SEQUENCE YAAADVWYLL PITAKLMVET EASGWLPAAL DECRLMQMRR QEVVAPEDAW DATA SEQUENCE RDITNAWQLR TRQLACLQLL ADWRLRKARE RDLAVNFVVR EEHLWSVARY DATA SEQUENCE MPGSLGELDS LGLSGSEIRF HGKTLLALVE KAQTLPEDAL PQPMLNLMDM DATA SEQUENCE PGYRKAFKAI KSLITDVSET HKISAELLAS RRQINQLLNW HWKLKPQNNL DATA SEQUENCE PELISGWRGE LMAEALHNLL QEYPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.974 176.300 -0.544 0.000 1.140 1 M CA 0.000 54.675 55.300 -1.042 0.000 0.988 1 M CB 0.000 31.750 32.600 -1.417 0.000 1.302 2 N N 4.847 123.316 118.700 -0.385 0.000 2.419 2 N HA 0.559 5.298 4.740 -0.001 0.000 0.277 2 N C -1.523 173.884 175.510 -0.171 0.000 1.006 2 N CA -0.077 52.803 53.050 -0.282 0.000 0.923 2 N CB 1.258 39.639 38.487 -0.177 0.000 1.140 2 N HN 0.604 nan 8.380 nan 0.000 0.488 3 Y N -0.836 119.399 120.300 -0.107 0.000 2.549 3 Y HA 0.534 5.084 4.550 -0.001 0.000 0.339 3 Y C -0.194 175.704 175.900 -0.003 0.000 1.053 3 Y CA -1.285 56.785 58.100 -0.051 0.000 1.105 3 Y CB 1.113 39.531 38.460 -0.071 0.000 1.258 3 Y HN 0.380 nan 8.280 nan 0.000 0.478 4 Q N 3.001 122.949 119.800 0.247 0.000 2.333 4 Q HA 0.481 4.821 4.340 -0.001 0.000 0.267 4 Q C -1.449 174.683 176.000 0.219 0.000 1.012 4 Q CA -1.073 54.832 55.803 0.171 0.000 0.824 4 Q CB 1.365 30.174 28.738 0.117 0.000 1.290 4 Q HN 0.769 nan 8.270 nan 0.000 0.449 5 M N 4.558 124.273 119.600 0.192 0.000 2.180 5 M HA 0.388 4.867 4.480 -0.001 0.000 0.358 5 M C -0.578 175.781 176.300 0.099 0.000 1.233 5 M CA -0.145 55.249 55.300 0.156 0.000 1.114 5 M CB 0.430 33.120 32.600 0.149 0.000 1.594 5 M HN 0.606 nan 8.290 nan 0.000 0.467 6 I N 3.318 123.939 120.570 0.085 0.000 2.382 6 I HA 0.256 4.425 4.170 -0.001 0.000 0.285 6 I C 0.650 176.786 176.117 0.031 0.000 1.007 6 I CA -0.179 61.152 61.300 0.051 0.000 1.142 6 I CB 1.650 39.682 38.000 0.054 0.000 1.289 6 I HN 0.783 nan 8.210 nan 0.000 0.453 7 T N -0.320 114.239 114.554 0.008 0.000 3.170 7 T HA 0.173 4.523 4.350 -0.001 0.000 0.288 7 T C 0.344 175.016 174.700 -0.048 0.000 0.992 7 T CA -0.207 61.888 62.100 -0.010 0.000 0.909 7 T CB 0.069 68.945 68.868 0.013 0.000 1.133 7 T HN 0.579 nan 8.240 nan 0.000 0.530 8 T N -1.767 112.751 114.554 -0.061 0.000 2.906 8 T HA 0.489 4.838 4.350 -0.001 0.000 0.295 8 T C -0.055 174.579 174.700 -0.110 0.000 1.061 8 T CA -0.636 61.417 62.100 -0.078 0.000 1.000 8 T CB 2.049 70.888 68.868 -0.047 0.000 1.103 8 T HN -0.217 nan 8.240 nan 0.000 0.486 9 D N 1.038 121.363 120.400 -0.126 0.000 2.123 9 D HA -0.090 4.549 4.640 -0.001 0.000 0.196 9 D C 1.354 177.601 176.300 -0.088 0.000 0.992 9 D CA 1.366 55.283 54.000 -0.137 0.000 0.833 9 D CB -0.142 40.584 40.800 -0.123 0.000 0.954 9 D HN 0.634 nan 8.370 nan 0.000 0.455 10 D N 0.272 120.634 120.400 -0.063 0.000 2.144 10 D HA -0.069 4.570 4.640 -0.001 0.000 0.199 10 D C 2.001 178.279 176.300 -0.038 0.000 0.984 10 D CA 1.297 55.271 54.000 -0.043 0.000 0.834 10 D CB -0.312 40.468 40.800 -0.032 0.000 0.955 10 D HN 0.157 nan 8.370 nan 0.000 0.465 11 A N 0.356 123.153 122.820 -0.038 0.000 1.930 11 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 11 A C 2.090 179.656 177.584 -0.029 0.000 1.175 11 A CA 0.854 52.876 52.037 -0.025 0.000 0.627 11 A CB -0.622 18.369 19.000 -0.015 0.000 0.815 11 A HN 0.248 nan 8.150 nan 0.000 0.443 12 L N -0.237 120.958 121.223 -0.046 0.000 2.056 12 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 12 L C 2.649 179.499 176.870 -0.033 0.000 1.078 12 L CA 2.101 56.918 54.840 -0.038 0.000 0.749 12 L CB -0.788 41.223 42.059 -0.080 0.000 0.901 12 L HN 0.327 nan 8.230 nan 0.000 0.433 13 A N -1.372 121.423 122.820 -0.042 0.000 1.902 13 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 13 A C 2.386 179.949 177.584 -0.035 0.000 1.181 13 A CA 2.066 54.083 52.037 -0.035 0.000 0.623 13 A CB -0.996 17.984 19.000 -0.034 0.000 0.818 13 A HN 0.530 nan 8.150 nan 0.000 0.443 14 S N -0.545 115.133 115.700 -0.035 0.000 2.368 14 S HA -0.142 4.327 4.470 -0.001 0.000 0.225 14 S C 1.882 176.443 174.600 -0.066 0.000 1.030 14 S CA 1.423 59.599 58.200 -0.040 0.000 0.999 14 S CB -0.475 62.707 63.200 -0.030 0.000 0.844 14 S HN 0.538 nan 8.310 nan 0.000 0.459 15 L N 1.620 122.804 121.223 -0.065 0.000 1.989 15 L HA -0.113 4.226 4.340 -0.001 0.000 0.211 15 L C 2.245 179.048 176.870 -0.112 0.000 1.071 15 L CA 1.815 56.593 54.840 -0.103 0.000 0.749 15 L CB -1.004 41.028 42.059 -0.046 0.000 0.890 15 L HN 0.325 nan 8.230 nan 0.000 0.431 16 C N 0.019 119.283 119.300 -0.060 0.000 2.422 16 C HA -0.127 4.332 4.460 -0.001 0.000 0.279 16 C C 2.532 177.498 174.990 -0.040 0.000 1.305 16 C CA 0.902 59.893 59.018 -0.046 0.000 1.757 16 C CB -1.170 26.552 27.740 -0.030 0.000 1.962 16 C HN 0.607 nan 8.230 nan 0.000 0.499 17 E N 0.983 121.157 120.200 -0.043 0.000 2.110 17 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 17 E C 2.338 178.928 176.600 -0.016 0.000 0.988 17 E CA 1.425 57.810 56.400 -0.025 0.000 0.804 17 E CB -0.193 29.492 29.700 -0.026 0.000 0.745 17 E HN 0.723 nan 8.360 nan 0.000 0.458 18 A N 0.716 123.496 122.820 -0.068 0.000 1.930 18 A HA -0.049 4.271 4.320 -0.001 0.000 0.215 18 A C 2.424 180.054 177.584 0.076 0.000 1.176 18 A CA 0.556 52.559 52.037 -0.057 0.000 0.632 18 A CB -0.276 18.512 19.000 -0.352 0.000 0.819 18 A HN 0.090 nan 8.150 nan 0.000 0.445 19 V N 1.680 121.573 119.914 -0.034 0.000 2.515 19 V HA -0.271 3.849 4.120 -0.001 0.000 0.250 19 V C 2.614 178.823 176.094 0.192 0.000 1.058 19 V CA 2.034 64.360 62.300 0.044 0.000 1.064 19 V CB -1.044 30.744 31.823 -0.058 0.000 0.675 19 V HN 0.815 nan 8.190 nan 0.000 0.461 20 R N 1.709 122.273 120.500 0.107 0.000 2.211 20 R HA -0.131 4.208 4.340 -0.001 0.000 0.240 20 R C 1.948 178.311 176.300 0.104 0.000 1.144 20 R CA 1.739 57.887 56.100 0.081 0.000 0.992 20 R CB -0.655 29.664 30.300 0.031 0.000 0.869 20 R HN 0.419 nan 8.270 nan 0.000 0.462 21 A N 0.605 123.517 122.820 0.154 0.000 2.169 21 A HA 0.170 4.489 4.320 -0.001 0.000 0.212 21 A C 0.150 177.702 177.584 -0.054 0.000 1.153 21 A CA 0.014 52.068 52.037 0.027 0.000 0.756 21 A CB -0.155 18.818 19.000 -0.045 0.000 0.813 21 A HN 0.224 nan 8.150 nan 0.000 0.471 22 F N -0.090 119.859 119.950 -0.002 0.000 2.382 22 F HA 0.334 4.860 4.527 -0.001 0.000 0.331 22 F C -0.816 174.975 175.800 -0.014 0.000 1.121 22 F CA -1.776 56.217 58.000 -0.011 0.000 1.183 22 F CB 0.647 39.639 39.000 -0.013 0.000 1.207 22 F HN -0.019 nan 8.300 nan 0.000 0.555 23 P HA 0.174 nan 4.420 nan 0.000 0.235 23 P C -0.534 176.832 177.300 0.111 0.000 1.177 23 P CA 0.742 63.891 63.100 0.083 0.000 0.785 23 P CB 0.632 32.359 31.700 0.044 0.000 0.885 24 A N 0.096 123.007 122.820 0.151 0.000 2.608 24 A HA 0.690 5.010 4.320 -0.001 0.000 0.292 24 A C -1.260 176.400 177.584 0.126 0.000 1.066 24 A CA -0.737 51.403 52.037 0.171 0.000 0.676 24 A CB 0.762 19.944 19.000 0.304 0.000 1.277 24 A HN 0.082 nan 8.150 nan 0.000 0.413 25 I N -1.678 118.982 120.570 0.150 0.000 2.769 25 I HA 0.885 5.054 4.170 -0.001 0.000 0.298 25 I C -0.123 176.108 176.117 0.190 0.000 1.128 25 I CA -1.080 60.273 61.300 0.088 0.000 1.031 25 I CB 2.194 40.215 38.000 0.036 0.000 1.235 25 I HN 0.962 nan 8.210 nan 0.000 0.423 26 A N 6.423 129.340 122.820 0.162 0.000 2.301 26 A HA 0.870 5.190 4.320 -0.001 0.000 0.312 26 A C -0.705 176.992 177.584 0.189 0.000 1.182 26 A CA -0.513 51.651 52.037 0.212 0.000 0.826 26 A CB 0.832 19.961 19.000 0.214 0.000 1.134 26 A HN 0.747 nan 8.150 nan 0.000 0.501 27 L N 1.463 122.798 121.223 0.186 0.000 2.333 27 L HA 0.708 5.047 4.340 -0.001 0.000 0.263 27 L C -0.709 176.244 176.870 0.139 0.000 1.014 27 L CA -0.753 54.196 54.840 0.182 0.000 0.820 27 L CB 2.395 44.597 42.059 0.238 0.000 1.352 27 L HN 0.759 nan 8.230 nan 0.000 0.421 28 D N -0.652 119.816 120.400 0.115 0.000 2.710 28 D HA 0.513 5.152 4.640 -0.001 0.000 0.276 28 D C -1.554 174.736 176.300 -0.017 0.000 1.267 28 D CA -0.009 53.984 54.000 -0.011 0.000 0.772 28 D CB 2.559 43.266 40.800 -0.154 0.000 1.299 28 D HN 0.617 nan 8.370 nan 0.000 0.421 29 T N -1.456 113.025 114.554 -0.121 0.000 2.864 29 T HA 0.777 5.126 4.350 -0.001 0.000 0.299 29 T C -1.159 173.358 174.700 -0.305 0.000 1.166 29 T CA -0.772 61.250 62.100 -0.130 0.000 1.007 29 T CB 2.400 71.226 68.868 -0.069 0.000 1.219 29 T HN 0.161 nan 8.240 nan 0.000 0.506 30 E N 0.893 120.861 120.200 -0.387 0.000 2.272 30 E HA 0.688 5.037 4.350 -0.001 0.000 0.269 30 E C -1.241 175.140 176.600 -0.366 0.000 0.877 30 E CA -0.535 55.379 56.400 -0.810 0.000 0.755 30 E CB 2.189 30.910 29.700 -1.631 0.000 1.192 30 E HN 0.770 nan 8.360 nan 0.000 0.422 31 F N -0.795 119.015 119.950 -0.232 0.000 2.686 31 F HA 0.683 5.210 4.527 -0.001 0.000 0.311 31 F C -0.750 175.109 175.800 0.099 0.000 1.128 31 F CA -1.422 56.559 58.000 -0.032 0.000 0.946 31 F CB 0.547 39.500 39.000 -0.079 0.000 1.336 31 F HN 0.109 nan 8.300 nan 0.000 0.457 32 V N -0.296 119.839 119.914 0.368 0.000 2.630 32 V HA 0.699 4.819 4.120 -0.001 0.000 0.305 32 V C -0.485 175.773 176.094 0.273 0.000 1.046 32 V CA -1.137 61.322 62.300 0.265 0.000 0.934 32 V CB 1.746 33.678 31.823 0.182 0.000 1.003 32 V HN 0.886 nan 8.190 nan 0.000 0.451 33 R N 2.944 123.565 120.500 0.201 0.000 2.204 33 R HA 0.543 4.882 4.340 -0.001 0.000 0.341 33 R C 0.268 176.626 176.300 0.098 0.000 1.035 33 R CA 0.034 56.231 56.100 0.161 0.000 0.887 33 R CB 1.314 31.706 30.300 0.152 0.000 1.114 33 R HN 1.075 nan 8.270 nan 0.000 0.473 34 T N -1.078 113.519 114.554 0.072 0.000 2.675 34 T HA 0.306 4.655 4.350 -0.001 0.000 0.241 34 T C 0.953 175.650 174.700 -0.006 0.000 0.949 34 T CA -0.858 61.253 62.100 0.018 0.000 1.077 34 T CB 0.883 69.749 68.868 -0.003 0.000 1.797 34 T HN 0.440 nan 8.240 nan 0.000 0.551 35 R N 1.056 121.467 120.500 -0.149 0.000 2.359 35 R HA 0.249 4.588 4.340 -0.001 0.000 0.231 35 R C 0.599 176.842 176.300 -0.095 0.000 0.913 35 R CA -0.018 55.867 56.100 -0.358 0.000 1.075 35 R CB -0.058 29.652 30.300 -0.983 0.000 1.087 35 R HN 0.808 nan 8.270 nan 0.000 0.515 36 T N -2.758 111.789 114.554 -0.012 0.000 2.813 36 T HA -0.028 4.321 4.350 -0.001 0.000 0.297 36 T C 0.801 175.538 174.700 0.063 0.000 1.036 36 T CA -0.512 61.616 62.100 0.046 0.000 1.044 36 T CB 0.897 69.803 68.868 0.065 0.000 0.993 36 T HN 0.127 nan 8.240 nan 0.000 0.535 37 Y N 1.087 121.333 120.300 -0.090 0.000 2.184 37 Y HA 0.151 4.701 4.550 -0.001 0.000 0.290 37 Y C 0.257 175.953 175.900 -0.340 0.000 1.129 37 Y CA 0.525 58.464 58.100 -0.268 0.000 1.144 37 Y CB -0.191 37.978 38.460 -0.485 0.000 0.995 37 Y HN 0.670 nan 8.280 nan 0.000 0.513 38 Y N 1.800 122.097 120.300 -0.006 0.000 2.313 38 Y HA 0.373 4.922 4.550 -0.001 0.000 0.332 38 Y C -2.035 173.790 175.900 -0.126 0.000 1.071 38 Y CA -3.222 54.806 58.100 -0.121 0.000 1.169 38 Y CB 0.157 38.606 38.460 -0.018 0.000 1.192 38 Y HN -0.001 nan 8.280 nan 0.000 0.487 39 P HA -0.013 nan 4.420 nan 0.000 0.267 39 P C -0.991 176.291 177.300 -0.030 0.000 1.200 39 P CA -0.037 62.992 63.100 -0.119 0.000 0.772 39 P CB 0.480 31.936 31.700 -0.406 0.000 0.855 40 Q N 1.713 121.543 119.800 0.050 0.000 2.361 40 Q HA 0.244 4.584 4.340 -0.001 0.000 0.250 40 Q C -0.427 175.649 176.000 0.125 0.000 1.023 40 Q CA -0.753 55.100 55.803 0.082 0.000 0.915 40 Q CB 0.445 29.242 28.738 0.098 0.000 1.238 40 Q HN 0.332 nan 8.270 nan 0.000 0.451 41 L N 2.328 123.594 121.223 0.071 0.000 2.360 41 L HA 0.269 4.609 4.340 -0.001 0.000 0.276 41 L C 0.859 177.805 176.870 0.128 0.000 1.121 41 L CA 0.884 55.778 54.840 0.090 0.000 0.845 41 L CB 0.838 42.889 42.059 -0.013 0.000 1.143 41 L HN 0.678 nan 8.230 nan 0.000 0.452 42 G N 4.700 113.591 108.800 0.152 0.000 2.781 42 G HA2 0.328 4.288 3.960 -0.001 0.000 0.208 42 G HA3 0.328 4.288 3.960 -0.001 0.000 0.208 42 G C -0.421 174.566 174.900 0.144 0.000 1.099 42 G CA 0.181 45.391 45.100 0.183 0.000 0.776 42 G HN 0.480 nan 8.290 nan 0.000 0.532 43 L N -0.120 121.139 121.223 0.059 0.000 2.724 43 L HA 0.572 4.911 4.340 -0.001 0.000 0.258 43 L C -1.926 174.956 176.870 0.020 0.000 0.967 43 L CA -0.617 54.247 54.840 0.041 0.000 0.891 43 L CB 2.123 44.160 42.059 -0.036 0.000 1.456 43 L HN -0.012 nan 8.230 nan 0.000 0.416 44 I N 2.591 123.219 120.570 0.097 0.000 2.498 44 I HA 0.499 4.668 4.170 -0.001 0.000 0.290 44 I C -1.054 175.131 176.117 0.113 0.000 1.032 44 I CA -0.631 60.752 61.300 0.139 0.000 1.073 44 I CB 2.109 40.267 38.000 0.263 0.000 1.251 44 I HN 0.585 nan 8.210 nan 0.000 0.426 45 Q N 5.813 125.660 119.800 0.079 0.000 2.342 45 Q HA 0.773 5.113 4.340 -0.001 0.000 0.267 45 Q C -1.205 174.865 176.000 0.116 0.000 1.038 45 Q CA -0.442 55.398 55.803 0.062 0.000 0.832 45 Q CB 3.251 31.973 28.738 -0.025 0.000 1.323 45 Q HN 0.529 nan 8.270 nan 0.000 0.448 46 L N 2.309 123.616 121.223 0.139 0.000 2.445 46 L HA 0.776 5.116 4.340 -0.001 0.000 0.262 46 L C -1.968 175.055 176.870 0.254 0.000 0.974 46 L CA -0.955 53.984 54.840 0.165 0.000 0.822 46 L CB 1.464 43.597 42.059 0.125 0.000 1.339 46 L HN 0.687 nan 8.230 nan 0.000 0.409 47 F N 3.734 123.704 119.950 0.034 0.000 2.573 47 F HA 0.399 4.925 4.527 -0.001 0.000 0.316 47 F C -0.476 175.297 175.800 -0.045 0.000 1.148 47 F CA -1.216 56.792 58.000 0.014 0.000 0.940 47 F CB 1.578 40.605 39.000 0.045 0.000 1.214 47 F HN 0.594 nan 8.300 nan 0.000 0.448 48 D N 1.959 122.008 120.400 -0.584 0.000 2.431 48 D HA 0.360 4.999 4.640 -0.001 0.000 0.213 48 D C 1.424 177.174 176.300 -0.917 0.000 1.130 48 D CA 0.571 54.157 54.000 -0.689 0.000 0.834 48 D CB 0.559 40.864 40.800 -0.825 0.000 0.985 48 D HN 0.943 nan 8.370 nan 0.000 0.504 49 G N 0.286 108.081 108.800 -1.674 0.000 2.259 49 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 49 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 49 G C 0.950 175.527 174.900 -0.537 0.000 1.001 49 G CA 0.253 44.653 45.100 -1.166 0.000 0.627 49 G HN 0.397 nan 8.290 nan 0.000 0.501 50 E N -0.836 119.062 120.200 -0.503 0.000 2.441 50 E HA 0.200 4.550 4.350 -0.001 0.000 0.207 50 E C -0.049 176.358 176.600 -0.321 0.000 0.803 50 E CA -0.057 56.152 56.400 -0.319 0.000 1.240 50 E CB 0.609 30.053 29.700 -0.426 0.000 1.233 50 E HN 0.650 nan 8.360 nan 0.000 0.590 51 H N 0.598 119.642 119.070 -0.044 0.000 2.504 51 H HA 0.404 4.960 4.556 -0.001 0.000 0.322 51 H C -0.898 174.605 175.328 0.291 0.000 1.055 51 H CA -0.359 55.735 56.048 0.078 0.000 1.231 51 H CB 1.674 31.401 29.762 -0.059 0.000 1.417 51 H HN -0.036 nan 8.280 nan 0.000 0.472 52 L N 3.027 124.502 121.223 0.421 0.000 2.294 52 L HA 0.723 5.062 4.340 -0.001 0.000 0.283 52 L C -0.766 176.251 176.870 0.246 0.000 1.015 52 L CA -0.649 54.414 54.840 0.372 0.000 0.831 52 L CB 0.433 42.595 42.059 0.172 0.000 1.217 52 L HN 0.772 nan 8.230 nan 0.000 0.420 53 A N 6.168 129.114 122.820 0.210 0.000 2.365 53 A HA 0.755 5.075 4.320 -0.001 0.000 0.318 53 A C -1.174 176.485 177.584 0.125 0.000 1.091 53 A CA -0.580 51.556 52.037 0.164 0.000 0.763 53 A CB 1.355 20.439 19.000 0.140 0.000 1.248 53 A HN 0.702 nan 8.150 nan 0.000 0.442 54 L N 3.342 124.632 121.223 0.112 0.000 2.294 54 L HA 0.442 4.782 4.340 -0.001 0.000 0.283 54 L C -0.925 176.008 176.870 0.104 0.000 1.015 54 L CA -0.164 54.716 54.840 0.067 0.000 0.831 54 L CB 1.061 43.119 42.059 -0.002 0.000 1.217 54 L HN 0.582 nan 8.230 nan 0.000 0.420 55 I N 2.576 123.225 120.570 0.132 0.000 2.304 55 I HA 0.167 4.336 4.170 -0.001 0.000 0.291 55 I C 0.001 176.231 176.117 0.188 0.000 1.018 55 I CA -0.287 61.115 61.300 0.171 0.000 1.260 55 I CB 1.403 39.562 38.000 0.264 0.000 1.390 55 I HN 0.481 nan 8.210 nan 0.000 0.475 56 D N 9.802 130.288 120.400 0.143 0.000 2.365 56 D HA 0.161 4.800 4.640 -0.001 0.000 0.237 56 D C -1.342 175.059 176.300 0.169 0.000 1.190 56 D CA -2.281 51.805 54.000 0.143 0.000 0.867 56 D CB 1.486 42.344 40.800 0.097 0.000 1.050 56 D HN 0.271 nan 8.370 nan 0.000 0.491 57 P HA -0.134 nan 4.420 nan 0.000 0.219 57 P C 1.696 179.130 177.300 0.223 0.000 1.146 57 P CA 0.602 63.951 63.100 0.415 0.000 0.808 57 P CB 0.440 32.387 31.700 0.412 0.000 0.779 58 L N -1.033 120.275 121.223 0.142 0.000 2.275 58 L HA -0.004 4.335 4.340 -0.001 0.000 0.215 58 L C 2.524 179.417 176.870 0.040 0.000 1.119 58 L CA 1.543 56.436 54.840 0.089 0.000 0.790 58 L CB -1.049 41.057 42.059 0.079 0.000 0.919 58 L HN 0.081 nan 8.230 nan 0.000 0.443 59 G N -0.956 107.851 108.800 0.011 0.000 3.020 59 G HA2 0.176 4.135 3.960 -0.001 0.000 0.217 59 G HA3 0.176 4.135 3.960 -0.001 0.000 0.217 59 G C 0.686 175.517 174.900 -0.115 0.000 1.144 59 G CA -0.249 44.830 45.100 -0.035 0.000 0.760 59 G HN -0.000 nan 8.290 nan 0.000 0.548 60 I N 1.301 121.748 120.570 -0.205 0.000 2.396 60 I HA 0.338 4.508 4.170 -0.001 0.000 0.292 60 I C 0.839 176.720 176.117 -0.393 0.000 0.999 60 I CA 0.016 61.041 61.300 -0.458 0.000 1.310 60 I CB 1.335 38.681 38.000 -1.091 0.000 1.404 60 I HN -0.149 nan 8.210 nan 0.000 0.496 61 T N 1.962 116.307 114.554 -0.347 0.000 3.058 61 T HA 0.043 4.393 4.350 -0.001 0.000 0.247 61 T C 0.279 174.865 174.700 -0.190 0.000 0.987 61 T CA 0.267 62.254 62.100 -0.189 0.000 1.062 61 T CB 0.277 69.086 68.868 -0.098 0.000 1.048 61 T HN 0.496 nan 8.240 nan 0.000 0.468 62 D N -0.064 120.193 120.400 -0.238 0.000 2.427 62 D HA 0.235 4.874 4.640 -0.001 0.000 0.226 62 D C -0.642 175.564 176.300 -0.156 0.000 1.076 62 D CA -0.669 53.259 54.000 -0.120 0.000 0.849 62 D CB 0.557 41.315 40.800 -0.071 0.000 1.052 62 D HN 0.287 nan 8.370 nan 0.000 0.515 63 W N 2.239 123.577 121.300 0.064 0.000 3.139 63 W HA 0.031 4.690 4.660 -0.001 0.000 0.260 63 W C 2.422 178.936 176.519 -0.009 0.000 1.312 63 W CA -0.284 57.109 57.345 0.081 0.000 1.606 63 W CB 0.167 29.766 29.460 0.231 0.000 1.118 63 W HN 0.361 nan 8.180 nan 0.000 0.675 64 S N 1.658 117.458 115.700 0.167 0.000 2.381 64 S HA -0.229 4.241 4.470 -0.001 0.000 0.230 64 S C -0.474 174.137 174.600 0.018 0.000 1.052 64 S CA 2.071 60.312 58.200 0.069 0.000 1.068 64 S CB -1.208 62.016 63.200 0.040 0.000 0.918 64 S HN 0.033 nan 8.310 nan 0.000 0.448 65 P HA -0.047 nan 4.420 nan 0.000 0.215 65 P C 1.603 178.886 177.300 -0.030 0.000 1.153 65 P CA 0.742 63.835 63.100 -0.011 0.000 0.853 65 P CB -0.100 31.593 31.700 -0.012 0.000 0.788 66 L N -0.206 121.014 121.223 -0.005 0.000 2.109 66 L HA -0.053 4.286 4.340 -0.001 0.000 0.207 66 L C 1.916 178.626 176.870 -0.267 0.000 1.086 66 L CA 1.928 56.722 54.840 -0.076 0.000 0.760 66 L CB -0.965 41.131 42.059 0.061 0.000 0.910 66 L HN -0.218 nan 8.230 nan 0.000 0.437 67 K N -0.476 119.746 120.400 -0.296 0.000 2.147 67 K HA -0.086 4.234 4.320 -0.001 0.000 0.205 67 K C 2.073 178.537 176.600 -0.227 0.000 1.049 67 K CA 1.172 57.226 56.287 -0.388 0.000 0.936 67 K CB -0.334 32.017 32.500 -0.248 0.000 0.722 67 K HN 0.468 nan 8.250 nan 0.000 0.446 68 A N 1.442 124.179 122.820 -0.138 0.000 1.898 68 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 68 A C 2.037 179.558 177.584 -0.106 0.000 1.181 68 A CA 1.112 53.091 52.037 -0.097 0.000 0.620 68 A CB -0.365 18.599 19.000 -0.060 0.000 0.819 68 A HN 0.080 nan 8.150 nan 0.000 0.442 69 I N 0.139 120.640 120.570 -0.115 0.000 2.226 69 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 69 I C 2.347 178.380 176.117 -0.140 0.000 1.100 69 I CA 1.277 62.516 61.300 -0.103 0.000 1.374 69 I CB -1.269 36.677 38.000 -0.089 0.000 1.057 69 I HN 0.293 nan 8.210 nan 0.000 0.413 70 L N 0.448 121.538 121.223 -0.221 0.000 2.362 70 L HA -0.146 4.194 4.340 -0.001 0.000 0.219 70 L C 2.358 179.110 176.870 -0.197 0.000 1.134 70 L CA 0.899 55.581 54.840 -0.264 0.000 0.807 70 L CB -0.442 41.349 42.059 -0.447 0.000 0.927 70 L HN 0.368 nan 8.230 nan 0.000 0.447 71 R N -1.493 118.912 120.500 -0.158 0.000 2.397 71 R HA 0.100 4.439 4.340 -0.001 0.000 0.241 71 R C 0.300 176.549 176.300 -0.085 0.000 0.914 71 R CA -0.327 55.705 56.100 -0.113 0.000 1.071 71 R CB -0.096 30.145 30.300 -0.098 0.000 1.116 71 R HN -0.027 nan 8.270 nan 0.000 0.524 72 D N 2.743 123.094 120.400 -0.083 0.000 2.363 72 D HA 0.062 4.702 4.640 -0.001 0.000 0.263 72 D C -1.607 174.658 176.300 -0.057 0.000 1.258 72 D CA -2.139 51.825 54.000 -0.060 0.000 0.907 72 D CB 1.723 42.493 40.800 -0.050 0.000 1.107 72 D HN 0.025 nan 8.370 nan 0.000 0.495 73 P HA -0.102 nan 4.420 nan 0.000 0.222 73 P C 1.081 178.356 177.300 -0.042 0.000 1.147 73 P CA 0.812 63.883 63.100 -0.048 0.000 0.790 73 P CB 0.168 31.843 31.700 -0.040 0.000 0.780 74 S N -1.619 114.062 115.700 -0.032 0.000 2.603 74 S HA 0.090 4.560 4.470 -0.001 0.000 0.220 74 S C 0.644 175.237 174.600 -0.011 0.000 0.967 74 S CA 0.027 58.214 58.200 -0.021 0.000 0.920 74 S CB -0.839 62.352 63.200 -0.016 0.000 0.773 74 S HN 0.033 nan 8.310 nan 0.000 0.529 75 I N 2.194 122.752 120.570 -0.020 0.000 2.411 75 I HA 0.258 4.428 4.170 -0.001 0.000 0.284 75 I C -0.620 175.469 176.117 -0.045 0.000 1.012 75 I CA -0.494 60.802 61.300 -0.007 0.000 1.119 75 I CB 1.908 39.907 38.000 -0.002 0.000 1.261 75 I HN -0.073 nan 8.210 nan 0.000 0.448 76 T N 5.552 120.080 114.554 -0.043 0.000 2.794 76 T HA 0.250 4.599 4.350 -0.001 0.000 0.296 76 T C 0.036 174.621 174.700 -0.192 0.000 0.949 76 T CA -0.347 61.650 62.100 -0.171 0.000 1.101 76 T CB 0.612 69.351 68.868 -0.215 0.000 0.905 76 T HN 0.271 nan 8.240 nan 0.000 0.516 77 K N 2.507 122.744 120.400 -0.270 0.000 2.156 77 K HA 0.626 4.945 4.320 -0.001 0.000 0.271 77 K C -0.953 175.480 176.600 -0.279 0.000 0.995 77 K CA -0.250 55.943 56.287 -0.157 0.000 0.890 77 K CB 0.709 33.140 32.500 -0.115 0.000 1.073 77 K HN 0.426 nan 8.250 nan 0.000 0.454 78 F N 3.249 123.224 119.950 0.042 0.000 2.563 78 F HA 0.607 5.133 4.527 -0.001 0.000 0.316 78 F C -0.666 175.190 175.800 0.093 0.000 1.076 78 F CA -1.149 56.889 58.000 0.064 0.000 0.921 78 F CB 1.367 40.402 39.000 0.058 0.000 1.209 78 F HN 0.215 nan 8.300 nan 0.000 0.462 79 L N -0.139 121.275 121.223 0.318 0.000 2.600 79 L HA 0.671 5.010 4.340 -0.001 0.000 0.257 79 L C -1.648 175.364 176.870 0.238 0.000 1.048 79 L CA -1.013 53.964 54.840 0.227 0.000 0.869 79 L CB 1.593 43.762 42.059 0.183 0.000 1.482 79 L HN 0.607 nan 8.230 nan 0.000 0.408 80 H N 0.985 120.103 119.070 0.080 0.000 2.547 80 H HA 0.727 5.282 4.556 -0.001 0.000 0.342 80 H C 0.095 175.459 175.328 0.061 0.000 1.048 80 H CA 0.167 56.278 56.048 0.105 0.000 1.204 80 H CB 1.714 31.576 29.762 0.167 0.000 1.493 80 H HN 1.372 nan 8.280 nan 0.000 0.511 81 A N 3.449 126.074 122.820 -0.324 0.000 2.416 81 A HA -0.142 4.178 4.320 -0.001 0.000 0.293 81 A C 1.288 178.844 177.584 -0.047 0.000 1.452 81 A CA 1.054 52.989 52.037 -0.169 0.000 0.738 81 A CB -1.878 17.058 19.000 -0.106 0.000 1.123 81 A HN 1.113 nan 8.150 nan 0.000 0.389 82 G N 0.198 108.982 108.800 -0.027 0.000 3.314 82 G HA2 0.312 4.271 3.960 -0.001 0.000 0.238 82 G HA3 0.312 4.271 3.960 -0.001 0.000 0.238 82 G C 1.435 176.313 174.900 -0.036 0.000 1.184 82 G CA 1.157 46.245 45.100 -0.019 0.000 0.806 82 G HN 1.769 nan 8.290 nan 0.000 0.536 83 S N 0.982 116.667 115.700 -0.024 0.000 2.368 83 S HA -0.232 4.238 4.470 -0.001 0.000 0.226 83 S C 1.822 176.378 174.600 -0.072 0.000 1.044 83 S CA 1.731 59.912 58.200 -0.032 0.000 1.062 83 S CB -0.379 62.811 63.200 -0.017 0.000 0.931 83 S HN 0.512 nan 8.310 nan 0.000 0.440 84 E N 1.077 121.242 120.200 -0.058 0.000 2.152 84 E HA -0.098 4.252 4.350 -0.001 0.000 0.192 84 E C 1.746 178.192 176.600 -0.256 0.000 0.983 84 E CA 1.031 57.355 56.400 -0.126 0.000 0.818 84 E CB -0.214 29.524 29.700 0.063 0.000 0.758 84 E HN 0.614 nan 8.360 nan 0.000 0.467 85 D N 1.037 121.304 120.400 -0.222 0.000 2.144 85 D HA -0.143 4.496 4.640 -0.001 0.000 0.199 85 D C 2.123 177.993 176.300 -0.716 0.000 0.984 85 D CA 0.812 54.493 54.000 -0.531 0.000 0.834 85 D CB -0.096 40.415 40.800 -0.482 0.000 0.955 85 D HN 0.198 nan 8.370 nan 0.000 0.465 86 L N 0.861 121.903 121.223 -0.301 0.000 2.046 86 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 86 L C 2.567 179.367 176.870 -0.117 0.000 1.077 86 L CA 1.113 55.902 54.840 -0.084 0.000 0.747 86 L CB -0.449 41.610 42.059 0.001 0.000 0.896 86 L HN 0.039 nan 8.230 nan 0.000 0.432 87 E N 0.291 120.373 120.200 -0.197 0.000 2.058 87 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 87 E C 2.245 178.698 176.600 -0.245 0.000 0.997 87 E CA 1.625 57.905 56.400 -0.199 0.000 0.801 87 E CB 0.109 29.657 29.700 -0.252 0.000 0.746 87 E HN 0.249 nan 8.360 nan 0.000 0.450 88 V N 0.649 120.327 119.914 -0.393 0.000 2.343 88 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 88 V C 2.083 177.995 176.094 -0.303 0.000 1.051 88 V CA 1.762 63.818 62.300 -0.406 0.000 1.036 88 V CB -0.631 30.890 31.823 -0.503 0.000 0.654 88 V HN 0.339 nan 8.190 nan 0.000 0.451 89 F N -0.584 119.214 119.950 -0.253 0.000 2.102 89 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 89 F C 2.291 177.960 175.800 -0.219 0.000 1.105 89 F CA 1.161 59.012 58.000 -0.249 0.000 1.239 89 F CB -0.264 38.742 39.000 0.010 0.000 0.991 89 F HN 0.105 nan 8.300 nan 0.000 0.474 90 L N 0.012 121.274 121.223 0.064 0.000 2.083 90 L HA -0.256 4.084 4.340 -0.001 0.000 0.209 90 L C 1.989 178.819 176.870 -0.065 0.000 1.083 90 L CA 1.008 55.860 54.840 0.020 0.000 0.752 90 L CB -0.601 41.470 42.059 0.020 0.000 0.899 90 L HN 0.167 nan 8.230 nan 0.000 0.433 91 N N -0.894 117.726 118.700 -0.133 0.000 2.331 91 N HA -0.134 4.605 4.740 -0.001 0.000 0.180 91 N C 1.615 176.951 175.510 -0.290 0.000 1.019 91 N CA 1.034 53.971 53.050 -0.189 0.000 0.881 91 N CB -0.061 38.325 38.487 -0.169 0.000 0.972 91 N HN 0.189 nan 8.380 nan 0.000 0.435 92 V N -0.860 118.785 119.914 -0.448 0.000 2.949 92 V HA 0.170 4.289 4.120 -0.001 0.000 0.245 92 V C 1.010 176.745 176.094 -0.598 0.000 1.086 92 V CA 0.736 62.642 62.300 -0.657 0.000 1.097 92 V CB -0.091 31.077 31.823 -1.092 0.000 0.762 92 V HN 0.100 nan 8.190 nan 0.000 0.470 93 F N 0.260 120.065 119.950 -0.242 0.000 2.678 93 F HA 0.442 4.969 4.527 -0.001 0.000 0.291 93 F C 1.940 177.682 175.800 -0.097 0.000 1.123 93 F CA 0.531 58.416 58.000 -0.192 0.000 1.395 93 F CB 0.468 39.346 39.000 -0.203 0.000 1.121 93 F HN 0.285 nan 8.300 nan 0.000 0.592 94 G N 1.389 110.229 108.800 0.066 0.000 2.179 94 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.260 94 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.260 94 G C -0.027 174.908 174.900 0.058 0.000 0.977 94 G CA 0.448 45.574 45.100 0.044 0.000 0.641 94 G HN 0.515 nan 8.290 nan 0.000 0.533 95 E N -0.830 119.425 120.200 0.091 0.000 2.407 95 E HA 0.693 5.042 4.350 -0.001 0.000 0.279 95 E C -0.711 175.941 176.600 0.086 0.000 1.012 95 E CA -1.335 55.103 56.400 0.063 0.000 0.800 95 E CB 1.004 30.720 29.700 0.026 0.000 1.276 95 E HN 0.212 nan 8.360 nan 0.000 0.452 96 L N 1.291 122.548 121.223 0.057 0.000 2.379 96 L HA 0.501 4.840 4.340 -0.001 0.000 0.269 96 L C -2.123 174.730 176.870 -0.028 0.000 1.084 96 L CA -2.144 52.735 54.840 0.065 0.000 0.802 96 L CB 0.954 43.059 42.059 0.076 0.000 1.175 96 L HN 0.449 nan 8.230 nan 0.000 0.448 97 P HA 0.110 nan 4.420 nan 0.000 0.272 97 P C -1.549 175.692 177.300 -0.099 0.000 1.223 97 P CA -0.299 62.703 63.100 -0.164 0.000 0.784 97 P CB 0.542 32.088 31.700 -0.257 0.000 0.923 98 Q N 1.255 120.990 119.800 -0.109 0.000 2.352 98 Q HA 0.509 4.849 4.340 -0.001 0.000 0.270 98 Q C -3.096 172.844 176.000 -0.100 0.000 1.006 98 Q CA -2.178 53.570 55.803 -0.091 0.000 0.880 98 Q CB 2.217 30.916 28.738 -0.066 0.000 1.392 98 Q HN 0.175 nan 8.270 nan 0.000 0.401 99 P HA 0.264 nan 4.420 nan 0.000 0.278 99 P C -1.236 175.963 177.300 -0.169 0.000 1.238 99 P CA -0.485 62.541 63.100 -0.124 0.000 0.794 99 P CB 1.193 32.816 31.700 -0.129 0.000 0.955 100 L N 3.973 125.107 121.223 -0.148 0.000 2.381 100 L HA 0.539 4.878 4.340 -0.001 0.000 0.274 100 L C -0.955 175.823 176.870 -0.153 0.000 0.988 100 L CA -0.664 54.086 54.840 -0.150 0.000 0.824 100 L CB 1.171 43.199 42.059 -0.052 0.000 1.263 100 L HN 0.261 nan 8.230 nan 0.000 0.410 101 I N 3.781 124.207 120.570 -0.240 0.000 2.509 101 I HA 0.381 4.550 4.170 -0.001 0.000 0.293 101 I C -0.995 175.163 176.117 0.067 0.000 1.020 101 I CA -0.683 60.538 61.300 -0.131 0.000 1.088 101 I CB 2.022 39.864 38.000 -0.262 0.000 1.267 101 I HN 0.518 nan 8.210 nan 0.000 0.430 102 D N 3.907 124.370 120.400 0.105 0.000 2.329 102 D HA 0.143 4.782 4.640 -0.001 0.000 0.232 102 D C 1.136 177.546 176.300 0.184 0.000 1.088 102 D CA -0.278 53.804 54.000 0.136 0.000 0.835 102 D CB 1.768 42.607 40.800 0.066 0.000 1.078 102 D HN 0.699 nan 8.370 nan 0.000 0.495 103 T N 0.929 115.642 114.554 0.264 0.000 2.929 103 T HA -0.209 4.141 4.350 -0.001 0.000 0.271 103 T C 1.537 176.417 174.700 0.300 0.000 1.085 103 T CA 1.044 63.327 62.100 0.305 0.000 1.125 103 T CB 0.011 69.093 68.868 0.356 0.000 0.874 103 T HN 0.473 nan 8.240 nan 0.000 0.494 104 Q N 0.419 120.272 119.800 0.088 0.000 2.167 104 Q HA 0.032 4.372 4.340 -0.001 0.000 0.202 104 Q C 2.193 178.272 176.000 0.132 0.000 0.970 104 Q CA 1.034 56.851 55.803 0.024 0.000 0.855 104 Q CB -0.247 28.273 28.738 -0.362 0.000 0.911 104 Q HN 0.644 nan 8.270 nan 0.000 0.438 105 I N 0.238 120.879 120.570 0.118 0.000 2.286 105 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 105 I C 2.094 178.363 176.117 0.255 0.000 1.104 105 I CA 0.650 62.051 61.300 0.168 0.000 1.397 105 I CB -0.164 37.924 38.000 0.146 0.000 1.072 105 I HN 0.250 nan 8.210 nan 0.000 0.417 106 L N 0.756 122.103 121.223 0.207 0.000 2.012 106 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 106 L C 2.896 179.906 176.870 0.234 0.000 1.073 106 L CA 1.608 56.568 54.840 0.199 0.000 0.748 106 L CB -0.835 41.330 42.059 0.177 0.000 0.891 106 L HN 0.253 nan 8.230 nan 0.000 0.431 107 A N -0.059 122.917 122.820 0.260 0.000 1.940 107 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 107 A C 2.530 180.174 177.584 0.100 0.000 1.176 107 A CA 1.775 53.965 52.037 0.255 0.000 0.631 107 A CB -0.680 18.620 19.000 0.501 0.000 0.814 107 A HN 0.436 nan 8.150 nan 0.000 0.446 108 A N -1.187 121.679 122.820 0.078 0.000 1.902 108 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 108 A C 1.883 179.316 177.584 -0.252 0.000 1.181 108 A CA 1.493 53.467 52.037 -0.105 0.000 0.623 108 A CB -0.740 18.173 19.000 -0.145 0.000 0.818 108 A HN 0.480 nan 8.150 nan 0.000 0.443 109 F N -0.832 118.998 119.950 -0.201 0.000 2.502 109 F HA -0.101 4.425 4.527 -0.001 0.000 0.298 109 F C 2.137 177.812 175.800 -0.209 0.000 1.111 109 F CA 0.713 58.502 58.000 -0.352 0.000 1.445 109 F CB -0.298 38.498 39.000 -0.340 0.000 1.081 109 F HN 0.218 nan 8.300 nan 0.000 0.558 110 C N -0.390 118.949 119.300 0.066 0.000 2.626 110 C HA 0.450 4.909 4.460 -0.001 0.000 0.266 110 C C 2.002 176.976 174.990 -0.027 0.000 1.317 110 C CA 0.698 59.759 59.018 0.071 0.000 1.716 110 C CB -0.995 26.810 27.740 0.108 0.000 1.819 110 C HN 0.768 nan 8.230 nan 0.000 0.578 111 G N 0.251 108.984 108.800 -0.111 0.000 2.192 111 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.193 111 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.193 111 G C 0.072 174.841 174.900 -0.219 0.000 0.999 111 G CA -0.573 44.436 45.100 -0.151 0.000 0.659 111 G HN 0.330 nan 8.290 nan 0.000 0.503 112 R N 0.564 120.905 120.500 -0.266 0.000 2.528 112 R HA 0.497 4.837 4.340 -0.001 0.000 0.271 112 R C -2.519 173.637 176.300 -0.240 0.000 1.056 112 R CA -1.911 53.941 56.100 -0.413 0.000 1.117 112 R CB -0.081 29.824 30.300 -0.658 0.000 1.085 112 R HN 0.086 nan 8.270 nan 0.000 0.530 113 P HA 0.128 nan 4.420 nan 0.000 0.268 113 P C 0.612 177.928 177.300 0.027 0.000 1.205 113 P CA 0.182 63.242 63.100 -0.066 0.000 0.771 113 P CB 0.455 32.147 31.700 -0.013 0.000 0.858 114 M N 0.837 120.437 119.600 0.001 0.000 2.530 114 M HA -0.117 4.362 4.480 -0.001 0.000 0.261 114 M C 0.663 177.010 176.300 0.079 0.000 1.067 114 M CA 1.624 56.937 55.300 0.022 0.000 1.071 114 M CB -0.393 32.199 32.600 -0.014 0.000 1.405 114 M HN 0.266 nan 8.290 nan 0.000 0.478 115 S N -1.258 114.512 115.700 0.116 0.000 2.602 115 S HA 0.061 4.531 4.470 -0.001 0.000 0.240 115 S C -0.528 174.232 174.600 0.267 0.000 0.992 115 S CA -0.581 57.708 58.200 0.147 0.000 0.971 115 S CB -0.046 63.218 63.200 0.107 0.000 0.855 115 S HN 0.469 nan 8.310 nan 0.000 0.481 116 W N 3.783 125.141 121.300 0.095 0.000 2.443 116 W HA 0.345 5.005 4.660 -0.001 0.000 0.335 116 W C 0.746 177.427 176.519 0.270 0.000 1.382 116 W CA -0.514 56.920 57.345 0.149 0.000 1.305 116 W CB -0.347 29.208 29.460 0.159 0.000 1.283 116 W HN 0.241 nan 8.180 nan 0.000 0.567 117 G N 5.401 114.299 108.800 0.163 0.000 2.527 117 G HA2 0.062 4.022 3.960 -0.001 0.000 0.248 117 G HA3 0.062 4.022 3.960 -0.001 0.000 0.248 117 G C 0.240 175.038 174.900 -0.171 0.000 1.231 117 G CA -0.571 44.577 45.100 0.080 0.000 0.838 117 G HN 0.662 nan 8.290 nan 0.000 0.570 118 F N 2.604 122.433 119.950 -0.202 0.000 2.095 118 F HA -0.140 4.386 4.527 -0.001 0.000 0.298 118 F C 2.631 178.187 175.800 -0.407 0.000 1.104 118 F CA 2.227 59.937 58.000 -0.483 0.000 1.232 118 F CB -0.301 38.557 39.000 -0.237 0.000 0.987 118 F HN 0.434 nan 8.300 nan 0.000 0.475 119 A N -0.586 122.084 122.820 -0.251 0.000 1.908 119 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 119 A C 2.378 179.726 177.584 -0.393 0.000 1.181 119 A CA 2.182 54.033 52.037 -0.311 0.000 0.627 119 A CB -1.329 17.621 19.000 -0.084 0.000 0.818 119 A HN 0.452 nan 8.150 nan 0.000 0.445 120 S N -0.902 114.576 115.700 -0.370 0.000 2.368 120 S HA -0.194 4.275 4.470 -0.001 0.000 0.225 120 S C 2.036 176.289 174.600 -0.578 0.000 1.030 120 S CA 1.701 59.697 58.200 -0.340 0.000 0.999 120 S CB -0.391 62.682 63.200 -0.213 0.000 0.844 120 S HN 0.665 nan 8.310 nan 0.000 0.459 121 M N 1.229 120.160 119.600 -1.114 0.000 2.117 121 M HA -0.090 4.389 4.480 -0.001 0.000 0.262 121 M C 1.855 177.844 176.300 -0.519 0.000 1.065 121 M CA 1.412 55.986 55.300 -1.211 0.000 1.114 121 M CB -0.238 31.544 32.600 -1.363 0.000 1.361 121 M HN 0.145 nan 8.290 nan 0.000 0.408 122 V N 0.669 120.180 119.914 -0.671 0.000 2.343 122 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 122 V C 2.233 178.137 176.094 -0.317 0.000 1.051 122 V CA 2.226 64.207 62.300 -0.531 0.000 1.036 122 V CB -0.867 30.484 31.823 -0.787 0.000 0.654 122 V HN 0.549 nan 8.190 nan 0.000 0.451 123 E N 0.709 120.730 120.200 -0.298 0.000 2.058 123 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 123 E C 2.082 178.615 176.600 -0.112 0.000 0.997 123 E CA 1.830 58.121 56.400 -0.181 0.000 0.801 123 E CB -0.265 29.351 29.700 -0.141 0.000 0.746 123 E HN 0.607 nan 8.360 nan 0.000 0.450 124 E N -0.822 119.323 120.200 -0.092 0.000 2.051 124 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 124 E C 1.687 178.177 176.600 -0.183 0.000 0.991 124 E CA 1.637 57.982 56.400 -0.092 0.000 0.799 124 E CB -0.465 29.249 29.700 0.023 0.000 0.748 124 E HN 0.516 nan 8.360 nan 0.000 0.449 125 Y N -0.421 119.851 120.300 -0.047 0.000 2.397 125 Y HA 0.081 4.630 4.550 -0.001 0.000 0.292 125 Y C 2.489 178.362 175.900 -0.046 0.000 1.115 125 Y CA 1.106 59.185 58.100 -0.034 0.000 1.208 125 Y CB 0.214 38.647 38.460 -0.045 0.000 1.046 125 Y HN 0.209 nan 8.280 nan 0.000 0.552 126 S N -2.102 113.632 115.700 0.056 0.000 2.505 126 S HA 0.333 4.802 4.470 -0.001 0.000 0.216 126 S C 1.736 176.327 174.600 -0.016 0.000 1.018 126 S CA 0.353 58.568 58.200 0.025 0.000 0.911 126 S CB 0.403 63.609 63.200 0.009 0.000 0.818 126 S HN 0.497 nan 8.310 nan 0.000 0.497 127 G N 0.845 109.613 108.800 -0.053 0.000 2.148 127 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.254 127 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.254 127 G C -0.018 174.837 174.900 -0.075 0.000 0.981 127 G CA 0.211 45.279 45.100 -0.053 0.000 0.670 127 G HN 0.758 nan 8.290 nan 0.000 0.528 128 V N 1.011 120.840 119.914 -0.141 0.000 2.427 128 V HA 0.598 4.717 4.120 -0.001 0.000 0.286 128 V C 0.625 176.588 176.094 -0.219 0.000 1.034 128 V CA -0.034 62.152 62.300 -0.189 0.000 0.893 128 V CB 1.791 33.406 31.823 -0.348 0.000 0.982 128 V HN 0.256 nan 8.190 nan 0.000 0.452 129 T N 6.694 121.160 114.554 -0.145 0.000 2.762 129 T HA 0.481 4.830 4.350 -0.001 0.000 0.303 129 T C 0.043 174.678 174.700 -0.108 0.000 0.977 129 T CA -0.228 61.801 62.100 -0.118 0.000 0.961 129 T CB 0.172 69.003 68.868 -0.062 0.000 0.944 129 T HN 0.334 nan 8.240 nan 0.000 0.481 130 L N 2.760 123.905 121.223 -0.129 0.000 2.467 130 L HA 0.241 4.581 4.340 -0.001 0.000 0.270 130 L C 0.907 177.796 176.870 0.032 0.000 1.205 130 L CA -0.389 54.419 54.840 -0.054 0.000 0.828 130 L CB 0.396 42.432 42.059 -0.038 0.000 1.101 130 L HN 0.542 nan 8.230 nan 0.000 0.479 131 D N 1.797 122.253 120.400 0.092 0.000 2.317 131 D HA 0.111 4.751 4.640 -0.001 0.000 0.234 131 D C 0.089 176.500 176.300 0.185 0.000 1.112 131 D CA -0.236 53.829 54.000 0.108 0.000 0.840 131 D CB 1.172 42.033 40.800 0.101 0.000 1.078 131 D HN 0.413 nan 8.370 nan 0.000 0.486 132 K N 1.508 121.981 120.400 0.121 0.000 2.410 132 K HA 0.103 4.422 4.320 -0.001 0.000 0.200 132 K C 1.567 178.153 176.600 -0.024 0.000 1.023 132 K CA -0.141 56.210 56.287 0.106 0.000 1.149 132 K CB 0.504 33.056 32.500 0.086 0.000 0.859 132 K HN 0.170 nan 8.250 nan 0.000 0.514 133 S N 1.659 117.349 115.700 -0.017 0.000 2.419 133 S HA -0.105 4.364 4.470 -0.001 0.000 0.235 133 S C 1.203 175.714 174.600 -0.149 0.000 1.019 133 S CA 1.221 59.383 58.200 -0.064 0.000 0.982 133 S CB -0.006 63.174 63.200 -0.033 0.000 0.789 133 S HN 0.320 nan 8.310 nan 0.000 0.490 134 E N 0.253 120.311 120.200 -0.238 0.000 2.501 134 E HA 0.240 4.590 4.350 -0.001 0.000 0.201 134 E C 1.561 177.758 176.600 -0.670 0.000 1.016 134 E CA -0.033 56.134 56.400 -0.389 0.000 0.920 134 E CB 0.078 29.621 29.700 -0.261 0.000 1.023 134 E HN 0.332 nan 8.360 nan 0.000 0.474 135 S N 1.287 116.565 115.700 -0.703 0.000 2.353 135 S HA -0.109 4.361 4.470 -0.001 0.000 0.222 135 S C 1.226 175.711 174.600 -0.192 0.000 1.035 135 S CA 1.012 58.855 58.200 -0.596 0.000 1.025 135 S CB 0.109 63.179 63.200 -0.216 0.000 0.902 135 S HN 0.166 nan 8.310 nan 0.000 0.440 136 R N 2.174 122.568 120.500 -0.177 0.000 3.785 136 R HA 0.242 4.582 4.340 -0.001 0.000 0.255 136 R C -0.197 175.977 176.300 -0.210 0.000 1.485 136 R CA -0.059 55.970 56.100 -0.118 0.000 1.555 136 R CB 0.527 30.779 30.300 -0.079 0.000 1.362 136 R HN 0.507 nan 8.270 nan 0.000 0.702 137 T N -3.541 110.791 114.554 -0.371 0.000 2.910 137 T HA 0.196 4.545 4.350 -0.001 0.000 0.287 137 T C -0.234 174.106 174.700 -0.600 0.000 1.050 137 T CA -0.968 60.817 62.100 -0.526 0.000 1.011 137 T CB 1.972 70.399 68.868 -0.736 0.000 1.195 137 T HN 0.002 nan 8.240 nan 0.000 0.540 138 D N -0.035 120.084 120.400 -0.468 0.000 2.402 138 D HA 0.168 4.808 4.640 -0.001 0.000 0.235 138 D C -0.170 175.932 176.300 -0.330 0.000 1.226 138 D CA -0.725 53.099 54.000 -0.294 0.000 0.918 138 D CB -0.164 40.536 40.800 -0.167 0.000 1.043 138 D HN 0.615 nan 8.370 nan 0.000 0.506 139 W N 2.857 124.137 121.300 -0.032 0.000 2.961 139 W HA 0.060 4.719 4.660 -0.001 0.000 0.240 139 W C 1.652 178.176 176.519 0.009 0.000 1.305 139 W CA -0.173 57.163 57.345 -0.016 0.000 1.465 139 W CB 0.152 29.600 29.460 -0.021 0.000 1.135 139 W HN 0.401 nan 8.180 nan 0.000 0.688 140 L N -0.259 121.054 121.223 0.150 0.000 2.616 140 L HA 0.332 4.671 4.340 -0.001 0.000 0.229 140 L C 1.440 178.345 176.870 0.057 0.000 1.110 140 L CA -0.499 54.409 54.840 0.113 0.000 0.884 140 L CB -0.616 41.499 42.059 0.094 0.000 1.115 140 L HN -0.180 nan 8.230 nan 0.000 0.481 141 A N 0.942 123.770 122.820 0.012 0.000 2.407 141 A HA 0.563 4.883 4.320 -0.001 0.000 0.248 141 A C -0.077 177.512 177.584 0.007 0.000 1.082 141 A CA 0.001 52.031 52.037 -0.012 0.000 0.785 141 A CB 0.335 19.298 19.000 -0.061 0.000 1.020 141 A HN 0.159 nan 8.150 nan 0.000 0.489 142 R N 1.192 121.697 120.500 0.008 0.000 2.651 142 R HA 0.506 4.845 4.340 -0.001 0.000 0.278 142 R C -2.841 173.465 176.300 0.010 0.000 1.010 142 R CA -1.311 54.800 56.100 0.020 0.000 0.896 142 R CB 0.727 31.047 30.300 0.033 0.000 1.211 142 R HN 0.671 nan 8.270 nan 0.000 0.456 143 P HA 0.350 nan 4.420 nan 0.000 0.276 143 P C -0.208 177.102 177.300 0.017 0.000 1.244 143 P CA -0.636 62.480 63.100 0.026 0.000 0.801 143 P CB 0.617 32.335 31.700 0.030 0.000 1.006 144 L N 0.825 122.070 121.223 0.035 0.000 2.461 144 L HA 0.185 4.524 4.340 -0.001 0.000 0.272 144 L C 1.246 178.123 176.870 0.011 0.000 1.197 144 L CA -0.354 54.496 54.840 0.017 0.000 0.836 144 L CB 0.201 42.307 42.059 0.077 0.000 1.105 144 L HN 0.594 nan 8.230 nan 0.000 0.477 145 T N -1.952 112.586 114.554 -0.027 0.000 2.828 145 T HA 0.102 4.451 4.350 -0.001 0.000 0.290 145 T C 0.900 175.616 174.700 0.027 0.000 1.019 145 T CA -0.636 61.457 62.100 -0.011 0.000 1.031 145 T CB 1.011 69.852 68.868 -0.045 0.000 1.001 145 T HN 0.651 nan 8.240 nan 0.000 0.531 146 E N 0.373 120.604 120.200 0.052 0.000 2.077 146 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 146 E C 2.495 179.145 176.600 0.083 0.000 0.989 146 E CA 1.016 57.480 56.400 0.106 0.000 0.800 146 E CB -0.066 29.694 29.700 0.099 0.000 0.746 146 E HN 0.581 nan 8.360 nan 0.000 0.452 147 R N 0.602 121.128 120.500 0.043 0.000 2.081 147 R HA -0.162 4.177 4.340 -0.001 0.000 0.235 147 R C 2.439 178.775 176.300 0.060 0.000 1.131 147 R CA 1.366 57.491 56.100 0.042 0.000 0.960 147 R CB -0.133 30.171 30.300 0.006 0.000 0.856 147 R HN 0.241 nan 8.270 nan 0.000 0.436 148 Q N -0.360 119.447 119.800 0.011 0.000 2.050 148 Q HA -0.183 4.157 4.340 -0.001 0.000 0.202 148 Q C 2.367 178.500 176.000 0.223 0.000 0.980 148 Q CA 1.579 57.406 55.803 0.040 0.000 0.840 148 Q CB -0.118 28.521 28.738 -0.164 0.000 0.898 148 Q HN 0.411 nan 8.270 nan 0.000 0.424 149 C N 0.912 120.244 119.300 0.053 0.000 2.429 149 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 149 C C 2.308 177.110 174.990 -0.314 0.000 1.262 149 C CA 0.814 59.713 59.018 -0.197 0.000 1.733 149 C CB -0.806 26.675 27.740 -0.432 0.000 2.010 149 C HN 0.534 nan 8.230 nan 0.000 0.483 150 E N -0.635 119.502 120.200 -0.105 0.000 2.077 150 E HA -0.243 4.107 4.350 -0.001 0.000 0.193 150 E C 1.862 178.478 176.600 0.026 0.000 0.989 150 E CA 1.462 57.847 56.400 -0.025 0.000 0.800 150 E CB -0.338 29.408 29.700 0.078 0.000 0.746 150 E HN 0.843 nan 8.360 nan 0.000 0.452 151 Y N 1.441 121.762 120.300 0.036 0.000 2.145 151 Y HA -0.227 4.322 4.550 -0.001 0.000 0.286 151 Y C 2.288 178.222 175.900 0.056 0.000 1.145 151 Y CA 1.579 59.737 58.100 0.096 0.000 1.148 151 Y CB -0.420 38.148 38.460 0.179 0.000 0.981 151 Y HN -0.017 nan 8.280 nan 0.000 0.507 152 A N 0.710 123.570 122.820 0.067 0.000 1.902 152 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 152 A C 2.408 179.846 177.584 -0.243 0.000 1.181 152 A CA 1.999 53.928 52.037 -0.180 0.000 0.623 152 A CB -1.530 17.394 19.000 -0.127 0.000 0.818 152 A HN 0.658 nan 8.150 nan 0.000 0.443 153 A N -0.206 122.482 122.820 -0.220 0.000 1.898 153 A HA 0.206 4.526 4.320 -0.001 0.000 0.216 153 A C 2.476 179.976 177.584 -0.141 0.000 1.181 153 A CA 1.880 53.798 52.037 -0.197 0.000 0.620 153 A CB -0.971 17.888 19.000 -0.236 0.000 0.819 153 A HN 1.084 nan 8.150 nan 0.000 0.442 154 A N -0.001 122.751 122.820 -0.114 0.000 1.978 154 A HA -0.183 4.137 4.320 -0.001 0.000 0.220 154 A C 1.621 179.317 177.584 0.186 0.000 1.170 154 A CA 1.872 53.956 52.037 0.078 0.000 0.636 154 A CB -0.569 18.541 19.000 0.184 0.000 0.810 154 A HN 0.434 nan 8.150 nan 0.000 0.448 155 D N -0.692 119.639 120.400 -0.115 0.000 2.309 155 D HA -0.080 4.559 4.640 -0.001 0.000 0.212 155 D C 1.909 178.102 176.300 -0.179 0.000 0.968 155 D CA 1.643 55.443 54.000 -0.333 0.000 0.882 155 D CB 0.078 40.520 40.800 -0.596 0.000 0.918 155 D HN 0.511 nan 8.370 nan 0.000 0.503 156 V N -3.552 116.353 119.914 -0.015 0.000 3.307 156 V HA 0.123 4.242 4.120 -0.001 0.000 0.244 156 V C 2.108 178.292 176.094 0.150 0.000 1.196 156 V CA -0.313 62.041 62.300 0.091 0.000 1.132 156 V CB -0.617 31.276 31.823 0.116 0.000 0.875 156 V HN 0.210 nan 8.190 nan 0.000 0.468 157 W N 1.452 122.579 121.300 -0.288 0.000 2.333 157 W HA -0.241 4.419 4.660 -0.001 0.000 0.316 157 W C 2.214 178.561 176.519 -0.286 0.000 1.215 157 W CA 2.313 59.277 57.345 -0.635 0.000 1.278 157 W CB -0.482 28.513 29.460 -0.775 0.000 1.154 157 W HN 0.403 nan 8.180 nan 0.000 0.486 158 Y N 0.306 120.711 120.300 0.175 0.000 2.516 158 Y HA -0.161 4.388 4.550 -0.001 0.000 0.291 158 Y C 2.376 178.298 175.900 0.037 0.000 1.131 158 Y CA 0.728 58.855 58.100 0.044 0.000 1.281 158 Y CB -0.814 37.693 38.460 0.077 0.000 1.013 158 Y HN -0.071 nan 8.280 nan 0.000 0.554 159 L N -0.323 121.084 121.223 0.307 0.000 2.056 159 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 159 L C 2.114 179.004 176.870 0.033 0.000 1.078 159 L CA 1.345 56.321 54.840 0.227 0.000 0.749 159 L CB -0.922 41.300 42.059 0.272 0.000 0.901 159 L HN 0.214 nan 8.230 nan 0.000 0.433 160 L N 0.328 121.586 121.223 0.057 0.000 1.990 160 L HA -0.140 4.199 4.340 -0.001 0.000 0.213 160 L C -0.463 176.306 176.870 -0.168 0.000 1.072 160 L CA 2.260 57.059 54.840 -0.068 0.000 0.755 160 L CB -1.793 40.251 42.059 -0.026 0.000 0.889 160 L HN 0.199 nan 8.230 nan 0.000 0.432 161 P HA -0.134 nan 4.420 nan 0.000 0.217 161 P C 2.039 179.224 177.300 -0.192 0.000 1.150 161 P CA 1.568 64.579 63.100 -0.149 0.000 0.832 161 P CB -0.051 31.579 31.700 -0.116 0.000 0.787 162 I N -0.631 119.806 120.570 -0.223 0.000 2.394 162 I HA -0.213 3.957 4.170 -0.001 0.000 0.251 162 I C 2.327 178.213 176.117 -0.384 0.000 1.136 162 I CA 1.898 62.971 61.300 -0.379 0.000 1.425 162 I CB -1.176 36.583 38.000 -0.402 0.000 1.079 162 I HN 0.121 nan 8.210 nan 0.000 0.425 163 T N -0.609 113.703 114.554 -0.402 0.000 2.746 163 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 163 T C 2.017 176.440 174.700 -0.461 0.000 1.039 163 T CA 1.117 62.837 62.100 -0.633 0.000 1.142 163 T CB -0.474 67.532 68.868 -1.435 0.000 0.866 163 T HN 0.339 nan 8.240 nan 0.000 0.444 164 A N 2.078 124.695 122.820 -0.338 0.000 1.898 164 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 164 A C 2.454 179.968 177.584 -0.117 0.000 1.181 164 A CA 1.581 53.509 52.037 -0.182 0.000 0.620 164 A CB -0.555 18.363 19.000 -0.135 0.000 0.819 164 A HN 0.607 nan 8.150 nan 0.000 0.442 165 K N -0.447 119.866 120.400 -0.145 0.000 2.025 165 K HA 0.007 4.326 4.320 -0.001 0.000 0.207 165 K C 1.844 178.418 176.600 -0.044 0.000 1.049 165 K CA 1.342 57.583 56.287 -0.077 0.000 0.933 165 K CB -0.360 32.074 32.500 -0.110 0.000 0.714 165 K HN 0.418 nan 8.250 nan 0.000 0.438 166 L N 0.544 121.692 121.223 -0.125 0.000 2.141 166 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 166 L C 2.460 179.357 176.870 0.046 0.000 1.094 166 L CA 0.550 55.386 54.840 -0.007 0.000 0.763 166 L CB -0.185 41.867 42.059 -0.012 0.000 0.908 166 L HN 0.264 nan 8.230 nan 0.000 0.437 167 M N -1.064 118.548 119.600 0.021 0.000 2.175 167 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 167 M C 2.320 178.652 176.300 0.053 0.000 1.063 167 M CA 1.405 56.745 55.300 0.067 0.000 1.119 167 M CB -0.762 31.893 32.600 0.092 0.000 1.377 167 M HN 0.090 nan 8.290 nan 0.000 0.415 168 V N 0.126 120.062 119.914 0.037 0.000 2.307 168 V HA -0.228 3.892 4.120 -0.001 0.000 0.245 168 V C 2.215 178.344 176.094 0.059 0.000 1.045 168 V CA 1.577 63.901 62.300 0.040 0.000 1.024 168 V CB -0.623 31.220 31.823 0.033 0.000 0.651 168 V HN 0.462 nan 8.190 nan 0.000 0.449 169 E N -0.065 120.184 120.200 0.082 0.000 2.085 169 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 169 E C 2.282 178.949 176.600 0.112 0.000 0.994 169 E CA 1.921 58.385 56.400 0.106 0.000 0.801 169 E CB -0.261 29.529 29.700 0.149 0.000 0.743 169 E HN 0.590 nan 8.360 nan 0.000 0.453 170 T N 0.694 115.315 114.554 0.112 0.000 2.777 170 T HA -0.174 4.175 4.350 -0.001 0.000 0.266 170 T C 1.807 176.561 174.700 0.091 0.000 1.040 170 T CA 1.301 63.476 62.100 0.124 0.000 1.141 170 T CB -0.151 68.774 68.868 0.096 0.000 0.868 170 T HN 0.243 nan 8.240 nan 0.000 0.444 171 E N 0.997 121.229 120.200 0.054 0.000 2.072 171 E HA -0.084 4.266 4.350 -0.001 0.000 0.191 171 E C 2.376 178.986 176.600 0.016 0.000 0.985 171 E CA 0.902 57.316 56.400 0.023 0.000 0.801 171 E CB -0.211 29.498 29.700 0.015 0.000 0.750 171 E HN 0.461 nan 8.360 nan 0.000 0.452 172 A N 0.695 123.534 122.820 0.033 0.000 2.070 172 A HA -0.166 4.154 4.320 -0.001 0.000 0.220 172 A C 2.207 179.805 177.584 0.023 0.000 1.159 172 A CA 1.801 53.853 52.037 0.025 0.000 0.656 172 A CB -0.508 18.515 19.000 0.038 0.000 0.800 172 A HN 0.402 nan 8.150 nan 0.000 0.453 173 S N -2.399 113.334 115.700 0.056 0.000 2.548 173 S HA 0.378 4.847 4.470 -0.001 0.000 0.215 173 S C 1.443 175.985 174.600 -0.097 0.000 0.976 173 S CA 1.073 59.316 58.200 0.072 0.000 0.908 173 S CB -0.168 63.187 63.200 0.258 0.000 0.781 173 S HN 1.881 nan 8.310 nan 0.000 0.519 174 G N 0.185 108.912 108.800 -0.122 0.000 2.159 174 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.256 174 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.256 174 G C 0.173 174.862 174.900 -0.353 0.000 0.977 174 G CA 0.175 45.115 45.100 -0.268 0.000 0.652 174 G HN 0.631 nan 8.290 nan 0.000 0.531 175 W N -0.368 120.902 121.300 -0.049 0.000 3.239 175 W HA 0.565 5.224 4.660 -0.001 0.000 0.348 175 W C 1.988 178.315 176.519 -0.320 0.000 1.183 175 W CA -0.220 57.039 57.345 -0.143 0.000 1.819 175 W CB 0.083 29.531 29.460 -0.021 0.000 1.091 175 W HN 0.237 nan 8.180 nan 0.000 0.629 176 L N 2.115 123.318 121.223 -0.033 0.000 2.042 176 L HA -0.078 4.261 4.340 -0.001 0.000 0.210 176 L C -0.617 176.149 176.870 -0.173 0.000 1.076 176 L CA 2.256 57.032 54.840 -0.108 0.000 0.749 176 L CB -1.555 40.473 42.059 -0.051 0.000 0.893 176 L HN -0.221 nan 8.230 nan 0.000 0.432 177 P HA -0.158 nan 4.420 nan 0.000 0.215 177 P C 1.556 178.748 177.300 -0.180 0.000 1.153 177 P CA 2.031 65.066 63.100 -0.108 0.000 0.853 177 P CB -0.172 31.497 31.700 -0.052 0.000 0.788 178 A N -0.085 122.578 122.820 -0.262 0.000 1.902 178 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 178 A C 2.324 179.225 177.584 -1.139 0.000 1.181 178 A CA 2.099 53.795 52.037 -0.569 0.000 0.623 178 A CB -1.627 17.081 19.000 -0.485 0.000 0.818 178 A HN 0.186 nan 8.150 nan 0.000 0.443 179 A N -0.231 121.779 122.820 -1.351 0.000 1.902 179 A HA -0.032 4.288 4.320 -0.001 0.000 0.217 179 A C 2.143 179.445 177.584 -0.469 0.000 1.181 179 A CA 1.497 52.803 52.037 -1.218 0.000 0.623 179 A CB -0.571 17.935 19.000 -0.825 0.000 0.818 179 A HN 0.478 nan 8.150 nan 0.000 0.443 180 L N -0.845 120.189 121.223 -0.315 0.000 2.156 180 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 180 L C 2.316 179.129 176.870 -0.094 0.000 1.095 180 L CA 1.592 56.340 54.840 -0.154 0.000 0.770 180 L CB -0.583 41.408 42.059 -0.114 0.000 0.914 180 L HN 0.424 nan 8.230 nan 0.000 0.439 181 D N 0.277 120.622 120.400 -0.092 0.000 2.144 181 D HA -0.241 4.398 4.640 -0.001 0.000 0.200 181 D C 2.049 178.421 176.300 0.120 0.000 0.978 181 D CA 1.002 55.031 54.000 0.050 0.000 0.833 181 D CB 0.256 41.158 40.800 0.170 0.000 0.961 181 D HN 0.157 nan 8.370 nan 0.000 0.470 182 E N -0.587 119.651 120.200 0.064 0.000 2.106 182 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 182 E C 1.924 178.597 176.600 0.122 0.000 0.984 182 E CA 1.029 57.556 56.400 0.212 0.000 0.806 182 E CB -0.557 29.289 29.700 0.242 0.000 0.750 182 E HN 0.366 nan 8.360 nan 0.000 0.458 183 C N 0.394 119.718 119.300 0.040 0.000 2.429 183 C HA -0.030 4.430 4.460 -0.001 0.000 0.277 183 C C 2.692 177.703 174.990 0.035 0.000 1.262 183 C CA 1.064 60.102 59.018 0.033 0.000 1.733 183 C CB -0.968 26.769 27.740 -0.005 0.000 2.010 183 C HN 0.488 nan 8.230 nan 0.000 0.483 184 R N 0.536 121.054 120.500 0.029 0.000 2.081 184 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 184 R C 2.140 178.467 176.300 0.044 0.000 1.131 184 R CA 1.515 57.632 56.100 0.028 0.000 0.960 184 R CB -0.501 29.814 30.300 0.024 0.000 0.856 184 R HN 0.462 nan 8.270 nan 0.000 0.436 185 L N 1.149 122.416 121.223 0.073 0.000 2.012 185 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 185 L C 2.381 179.283 176.870 0.054 0.000 1.073 185 L CA 1.963 56.846 54.840 0.071 0.000 0.748 185 L CB -0.518 41.608 42.059 0.112 0.000 0.891 185 L HN 0.291 nan 8.230 nan 0.000 0.431 186 M N -1.285 118.352 119.600 0.062 0.000 2.159 186 M HA -0.277 4.203 4.480 -0.001 0.000 0.263 186 M C 2.234 178.553 176.300 0.032 0.000 1.063 186 M CA 1.851 57.178 55.300 0.044 0.000 1.110 186 M CB -0.072 32.557 32.600 0.047 0.000 1.374 186 M HN 0.418 nan 8.290 nan 0.000 0.411 187 Q N -0.337 119.483 119.800 0.034 0.000 2.084 187 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 187 Q C 2.052 178.067 176.000 0.024 0.000 0.978 187 Q CA 1.677 57.499 55.803 0.031 0.000 0.844 187 Q CB -0.122 28.633 28.738 0.029 0.000 0.898 187 Q HN 0.494 nan 8.270 nan 0.000 0.426 188 M N 0.146 119.759 119.600 0.022 0.000 2.117 188 M HA -0.143 4.336 4.480 -0.001 0.000 0.262 188 M C 1.951 178.258 176.300 0.012 0.000 1.065 188 M CA 1.630 56.939 55.300 0.016 0.000 1.114 188 M CB -0.844 31.765 32.600 0.014 0.000 1.361 188 M HN 0.171 nan 8.290 nan 0.000 0.408 189 R N -0.585 119.921 120.500 0.011 0.000 2.081 189 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 189 R C 2.277 178.577 176.300 -0.000 0.000 1.131 189 R CA 0.881 56.983 56.100 0.004 0.000 0.960 189 R CB -0.260 30.042 30.300 0.004 0.000 0.856 189 R HN 0.279 nan 8.270 nan 0.000 0.436 190 R N 1.050 121.551 120.500 0.002 0.000 2.148 190 R HA -0.090 4.249 4.340 -0.001 0.000 0.227 190 R C 1.976 178.277 176.300 0.003 0.000 1.103 190 R CA 1.215 57.312 56.100 -0.005 0.000 0.983 190 R CB -0.166 30.132 30.300 -0.004 0.000 0.874 190 R HN 0.484 nan 8.270 nan 0.000 0.451 191 Q N 0.306 120.112 119.800 0.011 0.000 2.311 191 Q HA -0.024 4.315 4.340 -0.001 0.000 0.203 191 Q C -0.126 175.883 176.000 0.015 0.000 0.954 191 Q CA 0.357 56.170 55.803 0.017 0.000 0.885 191 Q CB 0.140 28.889 28.738 0.019 0.000 0.963 191 Q HN 0.425 nan 8.270 nan 0.000 0.471 192 E N 1.161 121.366 120.200 0.008 0.000 2.415 192 E HA 0.100 4.449 4.350 -0.001 0.000 0.263 192 E C -0.940 175.666 176.600 0.011 0.000 0.995 192 E CA -0.039 56.365 56.400 0.007 0.000 0.915 192 E CB 1.101 30.801 29.700 -0.001 0.000 0.951 192 E HN -0.106 nan 8.360 nan 0.000 0.449 193 V N 4.003 123.927 119.914 0.017 0.000 2.417 193 V HA 0.127 4.246 4.120 -0.001 0.000 0.291 193 V C -0.000 176.105 176.094 0.018 0.000 1.024 193 V CA -0.878 61.438 62.300 0.027 0.000 0.861 193 V CB 1.806 33.651 31.823 0.038 0.000 0.985 193 V HN 0.421 nan 8.190 nan 0.000 0.436 194 V N 4.803 124.728 119.914 0.018 0.000 2.427 194 V HA 0.454 4.573 4.120 -0.001 0.000 0.268 194 V C 0.853 176.955 176.094 0.013 0.000 1.046 194 V CA -0.200 62.102 62.300 0.004 0.000 0.970 194 V CB 1.144 32.964 31.823 -0.004 0.000 1.001 194 V HN 1.005 nan 8.190 nan 0.000 0.476 195 A N 7.332 130.159 122.820 0.012 0.000 2.388 195 A HA 0.498 4.818 4.320 -0.001 0.000 0.257 195 A C -1.185 176.418 177.584 0.031 0.000 1.095 195 A CA -1.159 50.893 52.037 0.024 0.000 0.791 195 A CB 0.210 19.230 19.000 0.034 0.000 1.029 195 A HN 0.694 nan 8.150 nan 0.000 0.489 196 P HA -0.249 nan 4.420 nan 0.000 0.216 196 P C 1.190 178.554 177.300 0.106 0.000 1.150 196 P CA 1.899 65.026 63.100 0.045 0.000 0.843 196 P CB 0.082 31.797 31.700 0.027 0.000 0.787 197 E N -0.929 119.343 120.200 0.120 0.000 2.409 197 E HA -0.165 4.184 4.350 -0.001 0.000 0.198 197 E C 0.576 177.355 176.600 0.299 0.000 1.024 197 E CA 1.019 57.536 56.400 0.196 0.000 0.861 197 E CB -0.620 29.172 29.700 0.154 0.000 0.788 197 E HN 0.268 nan 8.360 nan 0.000 0.521 198 D N 0.309 120.788 120.400 0.131 0.000 2.433 198 D HA 0.197 4.837 4.640 -0.001 0.000 0.211 198 D C 1.482 177.644 176.300 -0.230 0.000 1.114 198 D CA 0.508 54.459 54.000 -0.082 0.000 0.837 198 D CB 0.714 41.456 40.800 -0.098 0.000 0.984 198 D HN 0.265 nan 8.370 nan 0.000 0.505 199 A N 1.704 124.516 122.820 -0.013 0.000 1.940 199 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 199 A C 2.066 179.647 177.584 -0.004 0.000 1.176 199 A CA 1.065 53.100 52.037 -0.003 0.000 0.631 199 A CB -1.154 17.889 19.000 0.072 0.000 0.814 199 A HN 0.529 nan 8.150 nan 0.000 0.446 200 W N 0.370 121.704 121.300 0.057 0.000 2.350 200 W HA -0.165 4.495 4.660 -0.001 0.000 0.289 200 W C 1.561 178.127 176.519 0.078 0.000 1.215 200 W CA 0.966 58.354 57.345 0.072 0.000 1.236 200 W CB -0.855 28.646 29.460 0.069 0.000 1.130 200 W HN 0.291 nan 8.180 nan 0.000 0.541 201 R N 0.761 120.669 120.500 -0.987 0.000 2.193 201 R HA -0.117 4.222 4.340 -0.001 0.000 0.229 201 R C 1.280 177.400 176.300 -0.300 0.000 1.110 201 R CA 1.632 57.195 56.100 -0.896 0.000 0.988 201 R CB -0.340 29.359 30.300 -1.002 0.000 0.871 201 R HN 0.128 nan 8.270 nan 0.000 0.458 202 D N 0.265 120.556 120.400 -0.180 0.000 2.339 202 D HA 0.066 4.705 4.640 -0.001 0.000 0.217 202 D C 0.296 176.595 176.300 -0.002 0.000 1.050 202 D CA 0.409 54.365 54.000 -0.074 0.000 0.856 202 D CB 0.324 41.084 40.800 -0.067 0.000 0.922 202 D HN 0.187 nan 8.370 nan 0.000 0.518 203 I N 2.260 122.862 120.570 0.054 0.000 2.347 203 I HA -0.040 4.129 4.170 -0.001 0.000 0.294 203 I C 1.829 178.006 176.117 0.101 0.000 1.090 203 I CA -0.074 61.281 61.300 0.090 0.000 1.314 203 I CB 1.159 39.267 38.000 0.180 0.000 1.423 203 I HN -0.127 nan 8.210 nan 0.000 0.503 204 T N 1.285 115.872 114.554 0.055 0.000 2.996 204 T HA -0.154 4.196 4.350 -0.001 0.000 0.271 204 T C 1.063 175.870 174.700 0.179 0.000 1.126 204 T CA 1.166 63.328 62.100 0.102 0.000 1.103 204 T CB -0.428 68.472 68.868 0.053 0.000 0.870 204 T HN 0.712 nan 8.240 nan 0.000 0.528 205 N N 0.339 119.032 118.700 -0.012 0.000 2.235 205 N HA 0.436 5.175 4.740 -0.001 0.000 0.231 205 N C 1.382 176.827 175.510 -0.109 0.000 1.177 205 N CA 0.251 53.154 53.050 -0.245 0.000 0.874 205 N CB -0.100 37.994 38.487 -0.656 0.000 1.097 205 N HN 0.417 nan 8.380 nan 0.000 0.518 206 A N 1.002 123.939 122.820 0.195 0.000 2.019 206 A HA -0.092 4.227 4.320 -0.001 0.000 0.219 206 A C 1.696 179.438 177.584 0.262 0.000 1.164 206 A CA 0.956 53.200 52.037 0.346 0.000 0.644 206 A CB -1.146 18.122 19.000 0.447 0.000 0.805 206 A HN 0.640 nan 8.150 nan 0.000 0.449 207 W N 0.060 121.477 121.300 0.194 0.000 2.468 207 W HA -0.138 4.522 4.660 -0.001 0.000 0.262 207 W C 0.984 177.576 176.519 0.121 0.000 1.241 207 W CA 0.999 58.426 57.345 0.137 0.000 1.232 207 W CB -0.838 28.668 29.460 0.077 0.000 1.124 207 W HN 0.469 nan 8.180 nan 0.000 0.597 208 Q N 1.066 120.505 119.800 -0.601 0.000 2.472 208 Q HA 0.130 4.469 4.340 -0.001 0.000 0.208 208 Q C 0.863 176.773 176.000 -0.150 0.000 0.958 208 Q CA 0.348 55.810 55.803 -0.568 0.000 0.932 208 Q CB -0.022 28.311 28.738 -0.675 0.000 1.007 208 Q HN 0.283 nan 8.270 nan 0.000 0.508 209 L N 0.843 122.033 121.223 -0.056 0.000 2.399 209 L HA 0.318 4.657 4.340 -0.001 0.000 0.266 209 L C 0.583 177.411 176.870 -0.069 0.000 1.114 209 L CA -0.604 54.176 54.840 -0.100 0.000 0.804 209 L CB 0.817 42.798 42.059 -0.130 0.000 1.146 209 L HN 0.030 nan 8.230 nan 0.000 0.451 210 R N 0.172 120.611 120.500 -0.103 0.000 2.531 210 R HA 0.239 4.579 4.340 -0.001 0.000 0.260 210 R C 1.108 177.353 176.300 -0.092 0.000 1.144 210 R CA -0.531 55.525 56.100 -0.074 0.000 1.171 210 R CB 0.615 30.869 30.300 -0.077 0.000 1.199 210 R HN 0.626 nan 8.270 nan 0.000 0.594 211 T N 0.975 115.482 114.554 -0.078 0.000 2.635 211 T HA -0.215 4.135 4.350 -0.001 0.000 0.267 211 T C 1.793 176.420 174.700 -0.123 0.000 1.040 211 T CA 1.756 63.799 62.100 -0.095 0.000 1.156 211 T CB -0.207 68.618 68.868 -0.071 0.000 0.863 211 T HN 0.383 nan 8.240 nan 0.000 0.430 212 R N 1.151 121.584 120.500 -0.111 0.000 2.081 212 R HA -0.025 4.314 4.340 -0.001 0.000 0.235 212 R C 2.458 178.669 176.300 -0.148 0.000 1.131 212 R CA 1.573 57.603 56.100 -0.117 0.000 0.960 212 R CB -0.485 29.756 30.300 -0.098 0.000 0.856 212 R HN 0.527 nan 8.270 nan 0.000 0.436 213 Q N -0.556 119.142 119.800 -0.169 0.000 2.119 213 Q HA -0.131 4.209 4.340 -0.001 0.000 0.201 213 Q C 1.929 177.797 176.000 -0.220 0.000 0.972 213 Q CA 1.408 57.079 55.803 -0.220 0.000 0.847 213 Q CB -0.203 28.369 28.738 -0.276 0.000 0.903 213 Q HN 0.237 nan 8.270 nan 0.000 0.433 214 L N 0.615 121.716 121.223 -0.203 0.000 2.093 214 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 214 L C 2.147 178.829 176.870 -0.313 0.000 1.085 214 L CA 1.803 56.498 54.840 -0.242 0.000 0.755 214 L CB -0.685 41.225 42.059 -0.250 0.000 0.904 214 L HN 0.120 nan 8.230 nan 0.000 0.435 215 A N -1.353 121.312 122.820 -0.257 0.000 1.940 215 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 215 A C 2.396 179.867 177.584 -0.188 0.000 1.176 215 A CA 1.881 53.777 52.037 -0.236 0.000 0.631 215 A CB -1.463 17.438 19.000 -0.165 0.000 0.814 215 A HN 0.616 nan 8.150 nan 0.000 0.446 216 C N -1.504 117.698 119.300 -0.163 0.000 2.432 216 C HA -0.064 4.396 4.460 -0.001 0.000 0.277 216 C C 2.522 177.453 174.990 -0.099 0.000 1.249 216 C CA 1.105 60.047 59.018 -0.127 0.000 1.725 216 C CB -1.434 26.221 27.740 -0.141 0.000 2.028 216 C HN 0.675 nan 8.230 nan 0.000 0.477 217 L N 1.000 122.153 121.223 -0.116 0.000 2.079 217 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 217 L C 2.585 179.476 176.870 0.034 0.000 1.081 217 L CA 1.837 56.664 54.840 -0.021 0.000 0.752 217 L CB -0.781 41.286 42.059 0.014 0.000 0.896 217 L HN 0.433 nan 8.230 nan 0.000 0.433 218 Q N -0.813 118.911 119.800 -0.126 0.000 2.050 218 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 218 Q C 2.280 178.313 176.000 0.055 0.000 0.980 218 Q CA 1.966 57.700 55.803 -0.116 0.000 0.840 218 Q CB -0.362 28.101 28.738 -0.459 0.000 0.898 218 Q HN 0.531 nan 8.270 nan 0.000 0.424 219 L N 0.307 121.533 121.223 0.005 0.000 2.046 219 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 219 L C 2.373 179.321 176.870 0.130 0.000 1.077 219 L CA 0.878 55.751 54.840 0.055 0.000 0.747 219 L CB -0.453 41.608 42.059 0.004 0.000 0.896 219 L HN 0.235 nan 8.230 nan 0.000 0.432 220 L N -0.260 121.031 121.223 0.113 0.000 2.017 220 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 220 L C 2.858 179.906 176.870 0.297 0.000 1.073 220 L CA 1.238 56.194 54.840 0.193 0.000 0.745 220 L CB -0.690 41.439 42.059 0.118 0.000 0.894 220 L HN 0.228 nan 8.230 nan 0.000 0.432 221 A N -0.741 122.215 122.820 0.228 0.000 1.969 221 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 221 A C 2.077 179.758 177.584 0.161 0.000 1.169 221 A CA 1.665 53.825 52.037 0.205 0.000 0.635 221 A CB -0.477 18.666 19.000 0.238 0.000 0.810 221 A HN 0.448 nan 8.150 nan 0.000 0.445 222 D N -1.112 119.400 120.400 0.187 0.000 2.084 222 D HA -0.206 4.434 4.640 -0.001 0.000 0.194 222 D C 1.781 178.144 176.300 0.104 0.000 0.990 222 D CA 1.630 55.714 54.000 0.140 0.000 0.826 222 D CB -0.388 40.505 40.800 0.155 0.000 0.971 222 D HN 0.610 nan 8.370 nan 0.000 0.453 223 W N 2.216 123.521 121.300 0.008 0.000 2.335 223 W HA -0.147 4.512 4.660 -0.001 0.000 0.311 223 W C 2.631 179.123 176.519 -0.045 0.000 1.213 223 W CA 2.133 59.468 57.345 -0.016 0.000 1.274 223 W CB -0.429 29.022 29.460 -0.015 0.000 1.148 223 W HN -0.106 nan 8.180 nan 0.000 0.498 224 R N 0.063 120.405 120.500 -0.264 0.000 2.081 224 R HA -0.195 4.144 4.340 -0.001 0.000 0.235 224 R C 2.249 178.261 176.300 -0.480 0.000 1.131 224 R CA 1.812 57.533 56.100 -0.632 0.000 0.960 224 R CB -0.801 29.419 30.300 -0.135 0.000 0.856 224 R HN 0.344 nan 8.270 nan 0.000 0.436 225 L N 1.206 122.274 121.223 -0.258 0.000 2.093 225 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 225 L C 2.116 178.784 176.870 -0.336 0.000 1.085 225 L CA 1.682 56.381 54.840 -0.235 0.000 0.755 225 L CB -0.338 41.656 42.059 -0.109 0.000 0.904 225 L HN 0.085 nan 8.230 nan 0.000 0.435 226 R N -0.611 119.704 120.500 -0.309 0.000 2.075 226 R HA -0.181 4.159 4.340 -0.001 0.000 0.232 226 R C 2.260 178.339 176.300 -0.368 0.000 1.126 226 R CA 1.388 57.318 56.100 -0.284 0.000 0.963 226 R CB -0.321 29.865 30.300 -0.189 0.000 0.858 226 R HN 0.162 nan 8.270 nan 0.000 0.435 227 K N 1.109 121.177 120.400 -0.554 0.000 2.057 227 K HA -0.049 4.270 4.320 -0.001 0.000 0.207 227 K C 1.847 178.208 176.600 -0.398 0.000 1.049 227 K CA 1.615 57.580 56.287 -0.538 0.000 0.931 227 K CB -0.334 31.598 32.500 -0.946 0.000 0.714 227 K HN 0.143 nan 8.250 nan 0.000 0.440 228 A N 0.834 123.393 122.820 -0.435 0.000 1.877 228 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 228 A C 2.155 179.441 177.584 -0.497 0.000 1.186 228 A CA 1.796 53.614 52.037 -0.364 0.000 0.620 228 A CB -0.492 18.316 19.000 -0.319 0.000 0.822 228 A HN 0.374 nan 8.150 nan 0.000 0.443 229 R N -0.722 119.373 120.500 -0.675 0.000 2.115 229 R HA -0.098 4.242 4.340 -0.001 0.000 0.230 229 R C 2.283 178.452 176.300 -0.217 0.000 1.111 229 R CA 1.310 57.035 56.100 -0.626 0.000 0.976 229 R CB -0.220 29.764 30.300 -0.527 0.000 0.870 229 R HN 0.812 nan 8.270 nan 0.000 0.445 230 E N 0.761 120.844 120.200 -0.194 0.000 2.047 230 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 230 E C 1.670 178.237 176.600 -0.054 0.000 0.987 230 E CA 0.855 57.198 56.400 -0.094 0.000 0.799 230 E CB 0.254 29.894 29.700 -0.099 0.000 0.752 230 E HN 0.127 nan 8.360 nan 0.000 0.449 231 R N 0.511 120.962 120.500 -0.082 0.000 2.276 231 R HA -0.022 4.318 4.340 -0.001 0.000 0.196 231 R C 0.062 176.359 176.300 -0.004 0.000 0.961 231 R CA 0.747 56.822 56.100 -0.042 0.000 1.024 231 R CB -0.199 30.065 30.300 -0.059 0.000 0.940 231 R HN 0.204 nan 8.270 nan 0.000 0.480 232 D N 0.665 121.068 120.400 0.006 0.000 2.760 232 D HA -0.170 4.469 4.640 -0.001 0.000 0.244 232 D C -1.305 175.044 176.300 0.083 0.000 1.123 232 D CA 0.615 54.676 54.000 0.102 0.000 0.719 232 D CB -1.184 39.724 40.800 0.180 0.000 1.045 232 D HN 0.157 nan 8.370 nan 0.000 0.426 233 L N 0.043 121.305 121.223 0.064 0.000 2.408 233 L HA 0.759 5.098 4.340 -0.001 0.000 0.268 233 L C 0.761 177.755 176.870 0.207 0.000 0.986 233 L CA -0.927 53.980 54.840 0.112 0.000 0.820 233 L CB 1.860 43.964 42.059 0.076 0.000 1.303 233 L HN 0.198 nan 8.230 nan 0.000 0.411 234 A N 1.653 124.667 122.820 0.323 0.000 2.531 234 A HA 0.201 4.521 4.320 -0.001 0.000 0.236 234 A C 1.385 179.062 177.584 0.154 0.000 1.062 234 A CA 0.275 52.469 52.037 0.261 0.000 0.760 234 A CB 0.437 19.614 19.000 0.295 0.000 0.995 234 A HN 0.832 nan 8.150 nan 0.000 0.501 235 V N 0.607 120.563 119.914 0.069 0.000 2.370 235 V HA -0.289 3.831 4.120 -0.001 0.000 0.252 235 V C 1.585 177.631 176.094 -0.079 0.000 1.068 235 V CA 2.367 64.653 62.300 -0.022 0.000 1.061 235 V CB -1.005 30.805 31.823 -0.021 0.000 0.656 235 V HN 0.815 nan 8.190 nan 0.000 0.455 236 N N 0.164 118.747 118.700 -0.195 0.000 2.512 236 N HA 0.029 4.769 4.740 -0.001 0.000 0.183 236 N C 1.361 176.677 175.510 -0.324 0.000 1.073 236 N CA 1.418 54.286 53.050 -0.303 0.000 0.911 236 N CB -0.372 37.850 38.487 -0.441 0.000 0.964 236 N HN 0.691 nan 8.380 nan 0.000 0.447 237 F N -0.370 119.581 119.950 0.002 0.000 2.797 237 F HA 0.100 4.627 4.527 -0.001 0.000 0.302 237 F C 1.901 177.723 175.800 0.038 0.000 1.130 237 F CA -0.215 57.794 58.000 0.017 0.000 1.387 237 F CB 0.392 39.395 39.000 0.005 0.000 1.107 237 F HN -0.170 nan 8.300 nan 0.000 0.577 238 V N -1.246 118.747 119.914 0.132 0.000 2.403 238 V HA 0.088 4.208 4.120 -0.001 0.000 0.239 238 V C 0.390 176.592 176.094 0.181 0.000 1.041 238 V CA 0.657 63.010 62.300 0.089 0.000 1.051 238 V CB 0.468 32.195 31.823 -0.159 0.000 0.704 238 V HN -0.162 nan 8.190 nan 0.000 0.472 239 V N 0.726 120.711 119.914 0.120 0.000 2.655 239 V HA 0.377 4.497 4.120 -0.001 0.000 0.301 239 V C -0.370 175.764 176.094 0.067 0.000 1.082 239 V CA -0.973 61.443 62.300 0.193 0.000 0.899 239 V CB 1.910 33.908 31.823 0.291 0.000 1.014 239 V HN 0.346 nan 8.190 nan 0.000 0.429 240 R N 2.088 122.567 120.500 -0.035 0.000 2.585 240 R HA 0.021 4.360 4.340 -0.001 0.000 0.275 240 R C 1.315 177.568 176.300 -0.077 0.000 1.018 240 R CA 0.101 56.077 56.100 -0.206 0.000 1.072 240 R CB 0.828 30.773 30.300 -0.592 0.000 0.953 240 R HN 0.845 nan 8.270 nan 0.000 0.419 241 E N 2.302 122.463 120.200 -0.066 0.000 2.070 241 E HA -0.284 4.066 4.350 -0.001 0.000 0.197 241 E C 0.986 177.646 176.600 0.100 0.000 1.004 241 E CA 2.059 58.472 56.400 0.021 0.000 0.805 241 E CB 0.249 29.936 29.700 -0.021 0.000 0.744 241 E HN 0.563 nan 8.360 nan 0.000 0.451 242 E N -0.674 119.561 120.200 0.057 0.000 2.077 242 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 242 E C 1.903 178.721 176.600 0.362 0.000 0.989 242 E CA 1.609 58.116 56.400 0.178 0.000 0.800 242 E CB -0.388 29.392 29.700 0.133 0.000 0.746 242 E HN 0.547 nan 8.360 nan 0.000 0.452 243 H N -0.419 118.746 119.070 0.159 0.000 2.357 243 H HA -0.046 4.509 4.556 -0.001 0.000 0.301 243 H C 2.042 177.470 175.328 0.167 0.000 1.082 243 H CA 0.706 56.849 56.048 0.159 0.000 1.342 243 H CB 0.017 29.859 29.762 0.132 0.000 1.389 243 H HN 0.048 nan 8.280 nan 0.000 0.511 244 L N 0.193 121.597 121.223 0.301 0.000 2.046 244 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 244 L C 2.287 179.283 176.870 0.210 0.000 1.077 244 L CA 1.405 56.383 54.840 0.230 0.000 0.747 244 L CB -0.409 41.780 42.059 0.217 0.000 0.896 244 L HN 0.325 nan 8.230 nan 0.000 0.432 245 W N -0.340 121.003 121.300 0.071 0.000 2.358 245 W HA -0.200 4.459 4.660 -0.001 0.000 0.303 245 W C 2.656 179.166 176.519 -0.016 0.000 1.208 245 W CA 1.901 59.256 57.345 0.017 0.000 1.274 245 W CB -0.348 29.114 29.460 0.004 0.000 1.138 245 W HN 0.071 nan 8.180 nan 0.000 0.515 246 S N 0.011 115.835 115.700 0.206 0.000 2.370 246 S HA -0.218 4.252 4.470 -0.001 0.000 0.226 246 S C 1.830 176.421 174.600 -0.016 0.000 1.033 246 S CA 1.671 59.937 58.200 0.111 0.000 1.011 246 S CB -0.822 62.584 63.200 0.344 0.000 0.852 246 S HN 0.133 nan 8.310 nan 0.000 0.457 247 V N 1.866 121.791 119.914 0.018 0.000 2.343 247 V HA -0.210 3.909 4.120 -0.001 0.000 0.247 247 V C 2.596 178.607 176.094 -0.138 0.000 1.051 247 V CA 1.724 64.011 62.300 -0.021 0.000 1.036 247 V CB -1.166 30.660 31.823 0.005 0.000 0.654 247 V HN 0.547 nan 8.190 nan 0.000 0.451 248 A N -0.154 122.531 122.820 -0.225 0.000 1.898 248 A HA -0.214 4.105 4.320 -0.001 0.000 0.216 248 A C 2.422 179.714 177.584 -0.487 0.000 1.181 248 A CA 1.894 53.743 52.037 -0.313 0.000 0.620 248 A CB -0.499 18.314 19.000 -0.312 0.000 0.819 248 A HN 0.478 nan 8.150 nan 0.000 0.442 249 R N -1.746 118.271 120.500 -0.805 0.000 2.062 249 R HA -0.103 4.237 4.340 -0.001 0.000 0.229 249 R C 1.570 177.378 176.300 -0.820 0.000 1.128 249 R CA 1.741 57.215 56.100 -1.044 0.000 0.960 249 R CB -0.295 28.961 30.300 -1.740 0.000 0.855 249 R HN 0.634 nan 8.270 nan 0.000 0.432 250 Y N 0.026 120.170 120.300 -0.260 0.000 2.500 250 Y HA 0.234 4.783 4.550 -0.001 0.000 0.270 250 Y C 0.390 176.211 175.900 -0.132 0.000 1.134 250 Y CA -0.227 57.774 58.100 -0.164 0.000 1.293 250 Y CB 0.275 38.661 38.460 -0.123 0.000 1.063 250 Y HN -0.065 nan 8.280 nan 0.000 0.534 251 M N 1.161 120.724 119.600 -0.062 0.000 2.303 251 M HA -0.164 4.315 4.480 -0.001 0.000 0.189 251 M C -2.629 173.656 176.300 -0.024 0.000 0.688 251 M CA -0.121 55.142 55.300 -0.062 0.000 0.479 251 M CB -1.716 30.836 32.600 -0.080 0.000 1.094 251 M HN 0.042 nan 8.290 nan 0.000 0.907 252 P HA 0.157 nan 4.420 nan 0.000 0.269 252 P C 0.853 178.135 177.300 -0.030 0.000 1.209 252 P CA 0.424 63.517 63.100 -0.012 0.000 0.776 252 P CB 0.813 32.508 31.700 -0.008 0.000 0.876 253 G N 0.066 108.848 108.800 -0.030 0.000 3.377 253 G HA2 0.283 4.242 3.960 -0.001 0.000 0.257 253 G HA3 0.283 4.242 3.960 -0.001 0.000 0.257 253 G C 0.068 174.947 174.900 -0.034 0.000 1.038 253 G CA 0.074 45.154 45.100 -0.034 0.000 0.809 253 G HN 0.751 nan 8.290 nan 0.000 0.526 254 S N -1.213 114.467 115.700 -0.033 0.000 2.596 254 S HA 0.456 4.925 4.470 -0.001 0.000 0.270 254 S C 0.672 175.253 174.600 -0.032 0.000 1.155 254 S CA -0.725 57.455 58.200 -0.033 0.000 0.827 254 S CB 1.105 64.287 63.200 -0.031 0.000 1.130 254 S HN -0.101 nan 8.310 nan 0.000 0.467 255 L N 1.107 122.311 121.223 -0.031 0.000 2.141 255 L HA 0.116 4.455 4.340 -0.001 0.000 0.209 255 L C 2.726 179.578 176.870 -0.030 0.000 1.094 255 L CA 1.594 56.416 54.840 -0.030 0.000 0.763 255 L CB -1.032 41.009 42.059 -0.030 0.000 0.908 255 L HN 0.998 nan 8.230 nan 0.000 0.437 256 G N -0.260 108.522 108.800 -0.031 0.000 2.422 256 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 256 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 256 G C 1.441 176.318 174.900 -0.038 0.000 1.146 256 G CA 0.526 45.606 45.100 -0.033 0.000 0.769 256 G HN 0.401 nan 8.290 nan 0.000 0.547 257 E N -0.104 120.073 120.200 -0.039 0.000 2.150 257 E HA 0.016 4.366 4.350 -0.001 0.000 0.193 257 E C 2.545 179.118 176.600 -0.046 0.000 0.985 257 E CA 0.262 56.634 56.400 -0.045 0.000 0.814 257 E CB -0.133 29.543 29.700 -0.040 0.000 0.752 257 E HN 0.389 nan 8.360 nan 0.000 0.466 258 L N 0.783 121.984 121.223 -0.037 0.000 2.083 258 L HA -0.201 4.138 4.340 -0.001 0.000 0.209 258 L C 2.289 179.128 176.870 -0.052 0.000 1.083 258 L CA 1.245 56.064 54.840 -0.035 0.000 0.752 258 L CB -0.358 41.689 42.059 -0.020 0.000 0.899 258 L HN 0.152 nan 8.230 nan 0.000 0.433 259 D N -0.565 119.808 120.400 -0.045 0.000 2.117 259 D HA -0.214 4.425 4.640 -0.001 0.000 0.197 259 D C 2.346 178.609 176.300 -0.061 0.000 0.987 259 D CA 1.432 55.404 54.000 -0.047 0.000 0.829 259 D CB 0.117 40.896 40.800 -0.034 0.000 0.961 259 D HN 0.066 nan 8.370 nan 0.000 0.460 260 S N -0.999 114.663 115.700 -0.064 0.000 2.399 260 S HA -0.068 4.402 4.470 -0.001 0.000 0.231 260 S C 1.936 176.477 174.600 -0.098 0.000 1.022 260 S CA 0.730 58.884 58.200 -0.077 0.000 0.983 260 S CB -0.384 62.766 63.200 -0.083 0.000 0.803 260 S HN 0.366 nan 8.310 nan 0.000 0.480 261 L N 0.335 121.499 121.223 -0.100 0.000 2.551 261 L HA 0.181 4.520 4.340 -0.001 0.000 0.228 261 L C 1.865 178.657 176.870 -0.130 0.000 1.153 261 L CA 0.624 55.403 54.840 -0.100 0.000 0.851 261 L CB -0.506 41.526 42.059 -0.044 0.000 0.959 261 L HN 0.612 nan 8.230 nan 0.000 0.451 262 G N -0.428 108.277 108.800 -0.159 0.000 2.179 262 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.220 262 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.220 262 G C 0.011 174.648 174.900 -0.438 0.000 0.990 262 G CA -0.521 44.444 45.100 -0.225 0.000 0.646 262 G HN 0.094 nan 8.290 nan 0.000 0.517 263 L N 2.413 123.403 121.223 -0.390 0.000 2.485 263 L HA 0.491 4.831 4.340 -0.001 0.000 0.275 263 L C 1.601 178.452 176.870 -0.032 0.000 1.207 263 L CA 0.884 55.561 54.840 -0.271 0.000 0.855 263 L CB 0.932 42.958 42.059 -0.055 0.000 1.114 263 L HN 0.562 nan 8.230 nan 0.000 0.485 264 S N 1.084 116.863 115.700 0.131 0.000 2.600 264 S HA 0.284 4.753 4.470 -0.001 0.000 0.265 264 S C 1.339 176.004 174.600 0.107 0.000 1.325 264 S CA -0.271 58.013 58.200 0.140 0.000 1.002 264 S CB 0.997 64.319 63.200 0.202 0.000 0.921 264 S HN 0.784 nan 8.310 nan 0.000 0.554 265 G N 0.898 109.748 108.800 0.084 0.000 2.442 265 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.219 265 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.219 265 G C 1.430 176.373 174.900 0.072 0.000 1.141 265 G CA 0.895 46.028 45.100 0.055 0.000 0.763 265 G HN 0.708 nan 8.290 nan 0.000 0.554 266 S N 0.530 116.314 115.700 0.139 0.000 2.355 266 S HA -0.060 4.409 4.470 -0.001 0.000 0.222 266 S C 2.147 176.917 174.600 0.285 0.000 1.031 266 S CA 1.336 59.681 58.200 0.241 0.000 0.993 266 S CB -0.223 63.150 63.200 0.289 0.000 0.859 266 S HN 0.592 nan 8.310 nan 0.000 0.453 267 E N 0.844 121.200 120.200 0.260 0.000 2.077 267 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 267 E C 1.963 178.696 176.600 0.221 0.000 0.989 267 E CA 1.101 57.692 56.400 0.318 0.000 0.800 267 E CB -0.291 29.614 29.700 0.342 0.000 0.746 267 E HN 0.487 nan 8.360 nan 0.000 0.452 268 I N 1.263 121.910 120.570 0.129 0.000 2.233 268 I HA -0.254 3.916 4.170 -0.001 0.000 0.243 268 I C 2.760 178.874 176.117 -0.005 0.000 1.093 268 I CA 1.195 62.530 61.300 0.058 0.000 1.380 268 I CB -0.364 37.650 38.000 0.023 0.000 1.067 268 I HN 0.093 nan 8.210 nan 0.000 0.413 269 R N 0.933 121.391 120.500 -0.069 0.000 2.092 269 R HA -0.128 4.211 4.340 -0.001 0.000 0.231 269 R C 2.010 178.133 176.300 -0.295 0.000 1.119 269 R CA 1.656 57.627 56.100 -0.215 0.000 0.970 269 R CB -0.753 29.343 30.300 -0.341 0.000 0.864 269 R HN 0.210 nan 8.270 nan 0.000 0.440 270 F N 0.120 119.977 119.950 -0.155 0.000 2.262 270 F HA 0.081 4.607 4.527 -0.001 0.000 0.292 270 F C 1.976 177.601 175.800 -0.291 0.000 1.081 270 F CA 0.795 58.614 58.000 -0.301 0.000 1.355 270 F CB 0.195 38.854 39.000 -0.568 0.000 1.069 270 F HN 0.095 nan 8.300 nan 0.000 0.506 271 H N -1.653 117.589 119.070 0.288 0.000 2.986 271 H HA 0.314 4.869 4.556 -0.001 0.000 0.267 271 H C 2.268 177.585 175.328 -0.019 0.000 1.072 271 H CA 0.599 56.743 56.048 0.160 0.000 1.202 271 H CB -0.625 29.301 29.762 0.274 0.000 1.535 271 H HN 0.254 nan 8.280 nan 0.000 0.522 272 G N 2.145 110.995 108.800 0.085 0.000 2.553 272 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.218 272 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.218 272 G C 1.772 176.649 174.900 -0.039 0.000 1.195 272 G CA 1.328 46.435 45.100 0.011 0.000 0.779 272 G HN 0.352 nan 8.290 nan 0.000 0.577 273 K N -0.330 120.050 120.400 -0.034 0.000 2.063 273 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 273 K C 2.605 179.148 176.600 -0.094 0.000 1.048 273 K CA 1.855 58.112 56.287 -0.050 0.000 0.928 273 K CB -0.408 32.075 32.500 -0.029 0.000 0.713 273 K HN 0.317 nan 8.250 nan 0.000 0.442 274 T N 1.946 116.424 114.554 -0.127 0.000 2.708 274 T HA -0.113 4.236 4.350 -0.001 0.000 0.266 274 T C 1.817 176.288 174.700 -0.383 0.000 1.037 274 T CA 1.446 63.384 62.100 -0.271 0.000 1.146 274 T CB -0.160 68.466 68.868 -0.404 0.000 0.865 274 T HN 0.166 nan 8.240 nan 0.000 0.435 275 L N 0.446 121.442 121.223 -0.378 0.000 2.042 275 L HA -0.077 4.263 4.340 -0.001 0.000 0.210 275 L C 2.508 179.265 176.870 -0.187 0.000 1.076 275 L CA 1.232 55.881 54.840 -0.318 0.000 0.749 275 L CB -0.659 41.281 42.059 -0.198 0.000 0.893 275 L HN 0.257 nan 8.230 nan 0.000 0.432 276 L N -0.536 120.606 121.223 -0.134 0.000 2.093 276 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 276 L C 2.852 179.664 176.870 -0.096 0.000 1.085 276 L CA 1.017 55.800 54.840 -0.094 0.000 0.755 276 L CB -0.720 41.297 42.059 -0.069 0.000 0.904 276 L HN 0.246 nan 8.230 nan 0.000 0.435 277 A N 0.135 122.887 122.820 -0.112 0.000 1.930 277 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 277 A C 2.245 179.769 177.584 -0.099 0.000 1.175 277 A CA 1.178 53.158 52.037 -0.094 0.000 0.627 277 A CB -0.549 18.396 19.000 -0.091 0.000 0.815 277 A HN 0.346 nan 8.150 nan 0.000 0.443 278 L N -0.628 120.512 121.223 -0.138 0.000 2.093 278 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 278 L C 2.493 179.307 176.870 -0.093 0.000 1.085 278 L CA 0.874 55.643 54.840 -0.118 0.000 0.755 278 L CB -0.537 41.428 42.059 -0.157 0.000 0.904 278 L HN 0.235 nan 8.230 nan 0.000 0.435 279 V N -0.110 119.745 119.914 -0.098 0.000 2.343 279 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 279 V C 2.533 178.583 176.094 -0.073 0.000 1.051 279 V CA 1.961 64.210 62.300 -0.085 0.000 1.036 279 V CB -0.380 31.395 31.823 -0.080 0.000 0.654 279 V HN 0.427 nan 8.190 nan 0.000 0.451 280 E N 0.754 120.913 120.200 -0.067 0.000 2.110 280 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 280 E C 2.203 178.772 176.600 -0.052 0.000 0.988 280 E CA 1.656 58.023 56.400 -0.055 0.000 0.804 280 E CB -0.339 29.331 29.700 -0.050 0.000 0.745 280 E HN 0.554 nan 8.360 nan 0.000 0.458 281 K N -0.361 120.007 120.400 -0.054 0.000 2.057 281 K HA -0.113 4.206 4.320 -0.001 0.000 0.207 281 K C 1.997 178.567 176.600 -0.050 0.000 1.049 281 K CA 1.347 57.607 56.287 -0.046 0.000 0.931 281 K CB -0.285 32.190 32.500 -0.042 0.000 0.714 281 K HN 0.167 nan 8.250 nan 0.000 0.440 282 A N 0.915 123.698 122.820 -0.061 0.000 1.969 282 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 282 A C 2.012 179.555 177.584 -0.068 0.000 1.169 282 A CA 1.079 53.073 52.037 -0.071 0.000 0.635 282 A CB -0.339 18.608 19.000 -0.088 0.000 0.810 282 A HN 0.374 nan 8.150 nan 0.000 0.445 283 Q N -0.358 119.405 119.800 -0.062 0.000 2.167 283 Q HA -0.114 4.226 4.340 -0.001 0.000 0.202 283 Q C 2.021 177.993 176.000 -0.047 0.000 0.970 283 Q CA 1.975 57.744 55.803 -0.056 0.000 0.855 283 Q CB -0.612 28.095 28.738 -0.052 0.000 0.911 283 Q HN 0.844 nan 8.270 nan 0.000 0.438 284 T N -2.657 111.872 114.554 -0.042 0.000 3.086 284 T HA 0.260 4.610 4.350 -0.001 0.000 0.250 284 T C 0.962 175.642 174.700 -0.033 0.000 1.074 284 T CA -0.231 61.848 62.100 -0.035 0.000 0.988 284 T CB -0.033 68.817 68.868 -0.030 0.000 0.988 284 T HN -0.040 nan 8.240 nan 0.000 0.530 285 L N 3.373 124.572 121.223 -0.039 0.000 2.456 285 L HA 0.293 4.632 4.340 -0.001 0.000 0.272 285 L C -1.724 175.125 176.870 -0.035 0.000 1.189 285 L CA -1.860 52.958 54.840 -0.038 0.000 0.846 285 L CB 0.301 42.331 42.059 -0.048 0.000 1.111 285 L HN 0.128 nan 8.230 nan 0.000 0.475 286 P HA 0.079 nan 4.420 nan 0.000 0.275 286 P C -0.076 177.207 177.300 -0.029 0.000 1.227 286 P CA -0.367 62.718 63.100 -0.025 0.000 0.781 286 P CB 0.965 32.653 31.700 -0.019 0.000 0.906 287 E N 1.248 121.431 120.200 -0.028 0.000 2.171 287 E HA -0.210 4.139 4.350 -0.001 0.000 0.197 287 E C 1.162 177.746 176.600 -0.027 0.000 0.997 287 E CA 1.485 57.866 56.400 -0.031 0.000 0.810 287 E CB -0.065 29.619 29.700 -0.027 0.000 0.738 287 E HN 0.625 nan 8.360 nan 0.000 0.467 288 D N -0.262 120.126 120.400 -0.020 0.000 2.378 288 D HA -0.071 4.568 4.640 -0.001 0.000 0.227 288 D C 1.148 177.439 176.300 -0.015 0.000 1.012 288 D CA 0.635 54.627 54.000 -0.015 0.000 0.905 288 D CB 0.269 41.063 40.800 -0.009 0.000 0.895 288 D HN 0.116 nan 8.370 nan 0.000 0.532 289 A N 0.153 122.959 122.820 -0.023 0.000 2.431 289 A HA 0.291 4.610 4.320 -0.001 0.000 0.239 289 A C 0.999 178.558 177.584 -0.043 0.000 1.230 289 A CA -0.433 51.589 52.037 -0.025 0.000 0.928 289 A CB 0.142 19.128 19.000 -0.023 0.000 1.006 289 A HN 0.134 nan 8.150 nan 0.000 0.520 290 L N 1.941 123.133 121.223 -0.051 0.000 2.436 290 L HA 0.294 4.633 4.340 -0.001 0.000 0.265 290 L C -1.849 174.971 176.870 -0.083 0.000 1.168 290 L CA -1.766 53.027 54.840 -0.078 0.000 0.815 290 L CB 0.501 42.515 42.059 -0.074 0.000 1.109 290 L HN 0.180 nan 8.230 nan 0.000 0.462 291 P HA 0.116 nan 4.420 nan 0.000 0.276 291 P C -1.213 176.033 177.300 -0.090 0.000 1.244 291 P CA -0.663 62.352 63.100 -0.141 0.000 0.801 291 P CB 0.882 32.382 31.700 -0.334 0.000 1.006 292 Q N 1.610 121.394 119.800 -0.026 0.000 2.293 292 Q HA 0.265 4.604 4.340 -0.001 0.000 0.251 292 Q C -1.730 174.285 176.000 0.024 0.000 0.930 292 Q CA -1.436 54.373 55.803 0.009 0.000 0.893 292 Q CB 0.216 28.981 28.738 0.046 0.000 1.215 292 Q HN 0.425 nan 8.270 nan 0.000 0.425 293 P HA 0.015 nan 4.420 nan 0.000 0.269 293 P C -0.471 176.903 177.300 0.124 0.000 1.215 293 P CA 0.207 63.342 63.100 0.059 0.000 0.780 293 P CB 0.634 32.363 31.700 0.047 0.000 0.898 294 M N 1.656 121.371 119.600 0.192 0.000 2.250 294 M HA 0.248 4.727 4.480 -0.001 0.000 0.344 294 M C 0.284 176.688 176.300 0.175 0.000 1.150 294 M CA -0.191 55.250 55.300 0.235 0.000 1.147 294 M CB 0.263 33.071 32.600 0.347 0.000 1.498 294 M HN 0.171 nan 8.290 nan 0.000 0.461 295 L N 2.627 123.914 121.223 0.107 0.000 2.277 295 L HA 0.303 4.643 4.340 -0.001 0.000 0.284 295 L C -0.116 176.711 176.870 -0.072 0.000 1.028 295 L CA -0.726 54.129 54.840 0.024 0.000 0.835 295 L CB 0.577 42.639 42.059 0.004 0.000 1.215 295 L HN 0.627 nan 8.230 nan 0.000 0.425 296 N N 2.452 121.049 118.700 -0.171 0.000 2.427 296 N HA -0.042 4.698 4.740 -0.001 0.000 0.269 296 N C 0.797 176.039 175.510 -0.446 0.000 1.235 296 N CA -0.111 52.638 53.050 -0.502 0.000 0.934 296 N CB 0.839 38.740 38.487 -0.977 0.000 1.121 296 N HN 0.541 nan 8.380 nan 0.000 0.480 297 L N 4.766 125.742 121.223 -0.412 0.000 2.021 297 L HA -0.203 4.136 4.340 -0.001 0.000 0.215 297 L C 1.614 178.063 176.870 -0.702 0.000 1.074 297 L CA 1.916 56.510 54.840 -0.410 0.000 0.760 297 L CB -0.475 41.385 42.059 -0.332 0.000 0.889 297 L HN 0.672 nan 8.230 nan 0.000 0.433 298 M N -0.529 118.565 119.600 -0.844 0.000 2.267 298 M HA -0.174 4.305 4.480 -0.001 0.000 0.263 298 M C 1.300 177.356 176.300 -0.406 0.000 1.063 298 M CA 1.325 56.147 55.300 -0.797 0.000 1.090 298 M CB -0.713 31.557 32.600 -0.549 0.000 1.392 298 M HN 0.225 nan 8.290 nan 0.000 0.422 299 D N -0.860 119.307 120.400 -0.387 0.000 2.328 299 D HA 0.100 4.739 4.640 -0.001 0.000 0.221 299 D C 0.172 176.335 176.300 -0.229 0.000 1.072 299 D CA 0.234 54.090 54.000 -0.240 0.000 0.850 299 D CB 0.171 40.849 40.800 -0.203 0.000 0.922 299 D HN 0.241 nan 8.370 nan 0.000 0.516 300 M N 2.118 121.526 119.600 -0.319 0.000 2.211 300 M HA 0.218 4.697 4.480 -0.001 0.000 0.356 300 M C -2.201 173.884 176.300 -0.359 0.000 1.216 300 M CA -2.212 52.816 55.300 -0.453 0.000 1.134 300 M CB 0.577 32.677 32.600 -0.833 0.000 1.564 300 M HN -0.231 nan 8.290 nan 0.000 0.463 301 P HA 0.118 nan 4.420 nan 0.000 0.263 301 P C 0.723 178.011 177.300 -0.020 0.000 1.195 301 P CA 0.668 63.700 63.100 -0.113 0.000 0.762 301 P CB 0.517 32.171 31.700 -0.076 0.000 0.799 302 G N 2.792 111.676 108.800 0.141 0.000 2.195 302 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.246 302 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.246 302 G C 0.665 175.790 174.900 0.375 0.000 0.984 302 G CA 0.315 45.628 45.100 0.355 0.000 0.633 302 G HN 0.524 nan 8.290 nan 0.000 0.525 303 Y N 1.618 122.009 120.300 0.151 0.000 2.053 303 Y HA -0.145 4.404 4.550 -0.001 0.000 0.277 303 Y C 2.855 178.858 175.900 0.171 0.000 1.159 303 Y CA 2.765 60.994 58.100 0.216 0.000 1.125 303 Y CB -0.408 38.084 38.460 0.053 0.000 0.969 303 Y HN 0.330 nan 8.280 nan 0.000 0.492 304 R N 0.179 120.633 120.500 -0.077 0.000 2.091 304 R HA -0.182 4.157 4.340 -0.001 0.000 0.238 304 R C 2.459 178.721 176.300 -0.064 0.000 1.136 304 R CA 1.807 57.805 56.100 -0.170 0.000 0.959 304 R CB -0.346 29.943 30.300 -0.019 0.000 0.856 304 R HN 0.335 nan 8.270 nan 0.000 0.437 305 K N 0.574 121.003 120.400 0.049 0.000 2.057 305 K HA -0.100 4.219 4.320 -0.001 0.000 0.206 305 K C 2.066 178.702 176.600 0.059 0.000 1.050 305 K CA 1.358 57.718 56.287 0.121 0.000 0.935 305 K CB -0.069 32.587 32.500 0.261 0.000 0.715 305 K HN 0.158 nan 8.250 nan 0.000 0.439 306 A N 0.629 123.368 122.820 -0.135 0.000 1.898 306 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 306 A C 1.999 179.409 177.584 -0.291 0.000 1.181 306 A CA 1.204 52.922 52.037 -0.531 0.000 0.620 306 A CB -0.807 17.663 19.000 -0.884 0.000 0.819 306 A HN 0.486 nan 8.150 nan 0.000 0.442 307 F N 0.635 120.345 119.950 -0.400 0.000 2.095 307 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 307 F C 2.316 177.985 175.800 -0.217 0.000 1.104 307 F CA 2.343 60.127 58.000 -0.360 0.000 1.232 307 F CB -0.066 38.602 39.000 -0.552 0.000 0.987 307 F HN 0.213 nan 8.300 nan 0.000 0.475 308 K N 0.240 120.686 120.400 0.077 0.000 2.057 308 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 308 K C 2.183 178.763 176.600 -0.034 0.000 1.049 308 K CA 1.262 57.578 56.287 0.049 0.000 0.931 308 K CB -0.419 32.115 32.500 0.056 0.000 0.714 308 K HN 0.320 nan 8.250 nan 0.000 0.440 309 A N 1.305 124.101 122.820 -0.040 0.000 1.902 309 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 309 A C 2.081 179.603 177.584 -0.104 0.000 1.181 309 A CA 1.483 53.502 52.037 -0.031 0.000 0.623 309 A CB -0.530 18.497 19.000 0.045 0.000 0.818 309 A HN 0.356 nan 8.150 nan 0.000 0.443 310 I N -0.637 119.812 120.570 -0.202 0.000 2.252 310 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 310 I C 2.330 178.295 176.117 -0.252 0.000 1.102 310 I CA 1.124 62.269 61.300 -0.258 0.000 1.385 310 I CB -0.237 37.536 38.000 -0.377 0.000 1.064 310 I HN 0.167 nan 8.210 nan 0.000 0.414 311 K N 0.315 120.543 120.400 -0.287 0.000 2.063 311 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 311 K C 2.309 178.840 176.600 -0.115 0.000 1.048 311 K CA 1.492 57.651 56.287 -0.213 0.000 0.928 311 K CB -0.592 31.817 32.500 -0.151 0.000 0.713 311 K HN 0.215 nan 8.250 nan 0.000 0.442 312 S N 1.180 116.830 115.700 -0.084 0.000 2.368 312 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 312 S C 1.934 176.504 174.600 -0.050 0.000 1.030 312 S CA 0.877 59.048 58.200 -0.048 0.000 0.999 312 S CB -0.173 63.010 63.200 -0.028 0.000 0.844 312 S HN 0.221 nan 8.310 nan 0.000 0.459 313 L N 1.885 123.067 121.223 -0.068 0.000 2.046 313 L HA 0.020 4.359 4.340 -0.001 0.000 0.208 313 L C 1.990 178.826 176.870 -0.057 0.000 1.077 313 L CA 1.653 56.458 54.840 -0.059 0.000 0.747 313 L CB -0.744 41.269 42.059 -0.077 0.000 0.896 313 L HN 0.302 nan 8.230 nan 0.000 0.432 314 I N -0.502 120.015 120.570 -0.089 0.000 2.208 314 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 314 I C 2.354 178.445 176.117 -0.043 0.000 1.097 314 I CA 1.634 62.885 61.300 -0.081 0.000 1.363 314 I CB -1.919 36.008 38.000 -0.121 0.000 1.051 314 I HN 0.298 nan 8.210 nan 0.000 0.413 315 T N 0.826 115.355 114.554 -0.043 0.000 2.746 315 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 315 T C 1.529 176.226 174.700 -0.006 0.000 1.039 315 T CA 1.562 63.647 62.100 -0.024 0.000 1.142 315 T CB -0.209 68.645 68.868 -0.024 0.000 0.866 315 T HN 0.306 nan 8.240 nan 0.000 0.444 316 D N 0.797 121.194 120.400 -0.005 0.000 2.117 316 D HA -0.051 4.589 4.640 -0.001 0.000 0.197 316 D C 2.287 178.606 176.300 0.032 0.000 0.987 316 D CA 0.700 54.704 54.000 0.006 0.000 0.829 316 D CB -0.511 40.290 40.800 0.001 0.000 0.961 316 D HN 0.218 nan 8.370 nan 0.000 0.460 317 V N 0.908 120.854 119.914 0.054 0.000 2.343 317 V HA -0.218 3.901 4.120 -0.001 0.000 0.247 317 V C 2.639 178.838 176.094 0.175 0.000 1.051 317 V CA 1.805 64.193 62.300 0.147 0.000 1.036 317 V CB -0.582 31.315 31.823 0.124 0.000 0.654 317 V HN 0.199 nan 8.190 nan 0.000 0.451 318 S N 0.019 115.771 115.700 0.086 0.000 2.359 318 S HA -0.262 4.207 4.470 -0.001 0.000 0.224 318 S C 1.946 176.588 174.600 0.070 0.000 1.035 318 S CA 2.112 60.352 58.200 0.067 0.000 1.018 318 S CB -0.276 62.929 63.200 0.008 0.000 0.876 318 S HN 0.759 nan 8.310 nan 0.000 0.448 319 E N -0.203 120.022 120.200 0.041 0.000 2.150 319 E HA -0.061 4.288 4.350 -0.001 0.000 0.193 319 E C 2.123 178.737 176.600 0.022 0.000 0.985 319 E CA 1.478 57.894 56.400 0.025 0.000 0.814 319 E CB -0.295 29.410 29.700 0.008 0.000 0.752 319 E HN 0.521 nan 8.360 nan 0.000 0.466 320 T N 0.127 114.685 114.554 0.007 0.000 2.812 320 T HA -0.071 4.279 4.350 -0.001 0.000 0.264 320 T C 1.420 176.044 174.700 -0.127 0.000 1.042 320 T CA 0.839 62.885 62.100 -0.091 0.000 1.140 320 T CB -0.083 68.680 68.868 -0.175 0.000 0.870 320 T HN 0.255 nan 8.240 nan 0.000 0.445 321 H N 0.974 120.136 119.070 0.154 0.000 2.539 321 H HA 0.199 4.754 4.556 -0.001 0.000 0.269 321 H C 0.273 175.801 175.328 0.333 0.000 0.980 321 H CA 0.285 56.501 56.048 0.279 0.000 1.152 321 H CB 0.323 30.336 29.762 0.419 0.000 1.407 321 H HN 0.149 nan 8.280 nan 0.000 0.564 322 K N 0.471 121.025 120.400 0.256 0.000 3.244 322 K HA -0.186 4.134 4.320 -0.001 0.000 0.270 322 K C -0.187 176.504 176.600 0.151 0.000 1.016 322 K CA 0.378 56.773 56.287 0.182 0.000 0.754 322 K CB -2.006 30.608 32.500 0.190 0.000 1.326 322 K HN 0.482 nan 8.250 nan 0.000 0.465 323 I N -1.023 119.579 120.570 0.054 0.000 2.769 323 I HA 0.217 4.386 4.170 -0.001 0.000 0.298 323 I C 0.048 176.077 176.117 -0.146 0.000 1.128 323 I CA -0.686 60.512 61.300 -0.170 0.000 1.031 323 I CB 2.064 39.847 38.000 -0.361 0.000 1.235 323 I HN 0.210 nan 8.210 nan 0.000 0.423 324 S N 4.516 120.083 115.700 -0.222 0.000 2.552 324 S HA 0.181 4.650 4.470 -0.001 0.000 0.289 324 S C 1.204 175.730 174.600 -0.124 0.000 1.304 324 S CA 0.494 58.596 58.200 -0.162 0.000 1.063 324 S CB 1.281 64.366 63.200 -0.193 0.000 0.848 324 S HN 0.760 nan 8.310 nan 0.000 0.499 325 A N 4.113 126.884 122.820 -0.082 0.000 1.969 325 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 325 A C 1.991 179.530 177.584 -0.075 0.000 1.169 325 A CA 1.541 53.537 52.037 -0.068 0.000 0.635 325 A CB -0.733 18.235 19.000 -0.054 0.000 0.810 325 A HN 1.030 nan 8.150 nan 0.000 0.445 326 E N -0.453 119.702 120.200 -0.075 0.000 2.150 326 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 326 E C 1.797 178.355 176.600 -0.070 0.000 0.985 326 E CA 1.346 57.708 56.400 -0.064 0.000 0.814 326 E CB -0.380 29.287 29.700 -0.055 0.000 0.752 326 E HN 0.408 nan 8.360 nan 0.000 0.466 327 L N 0.942 122.101 121.223 -0.107 0.000 2.109 327 L HA 0.008 4.347 4.340 -0.001 0.000 0.207 327 L C 2.228 179.113 176.870 0.025 0.000 1.086 327 L CA 1.317 56.094 54.840 -0.106 0.000 0.760 327 L CB -0.297 41.559 42.059 -0.339 0.000 0.910 327 L HN 0.211 nan 8.230 nan 0.000 0.437 328 L N -0.397 120.816 121.223 -0.017 0.000 2.017 328 L HA 0.003 4.343 4.340 -0.001 0.000 0.208 328 L C 0.753 177.532 176.870 -0.152 0.000 1.073 328 L CA 0.921 55.722 54.840 -0.065 0.000 0.745 328 L CB -0.455 41.560 42.059 -0.073 0.000 0.894 328 L HN 0.374 nan 8.230 nan 0.000 0.432 329 A N -1.021 121.728 122.820 -0.119 0.000 2.491 329 A HA 0.519 4.838 4.320 -0.001 0.000 0.293 329 A C -0.340 177.187 177.584 -0.096 0.000 1.047 329 A CA -0.505 51.451 52.037 -0.136 0.000 0.735 329 A CB 1.175 20.065 19.000 -0.185 0.000 1.281 329 A HN 0.092 nan 8.150 nan 0.000 0.398 330 S N 1.579 117.238 115.700 -0.068 0.000 2.713 330 S HA 0.542 5.011 4.470 -0.001 0.000 0.283 330 S C 1.138 175.737 174.600 -0.002 0.000 1.161 330 S CA -0.175 58.011 58.200 -0.023 0.000 0.999 330 S CB 1.378 64.576 63.200 -0.004 0.000 1.039 330 S HN 0.944 nan 8.310 nan 0.000 0.548 331 R N 0.585 121.133 120.500 0.079 0.000 2.105 331 R HA -0.111 4.228 4.340 -0.001 0.000 0.239 331 R C 2.476 178.875 176.300 0.164 0.000 1.135 331 R CA 1.496 57.724 56.100 0.213 0.000 0.967 331 R CB -0.348 30.106 30.300 0.256 0.000 0.861 331 R HN 0.827 nan 8.270 nan 0.000 0.442 332 R N 0.451 121.002 120.500 0.086 0.000 2.083 332 R HA -0.189 4.150 4.340 -0.001 0.000 0.237 332 R C 2.124 178.444 176.300 0.033 0.000 1.137 332 R CA 2.189 58.324 56.100 0.059 0.000 0.951 332 R CB -0.150 30.167 30.300 0.028 0.000 0.851 332 R HN 0.434 nan 8.270 nan 0.000 0.434 333 Q N -0.009 119.786 119.800 -0.009 0.000 2.119 333 Q HA -0.097 4.243 4.340 -0.001 0.000 0.201 333 Q C 2.209 178.166 176.000 -0.073 0.000 0.972 333 Q CA 1.494 57.262 55.803 -0.058 0.000 0.847 333 Q CB -0.004 28.674 28.738 -0.100 0.000 0.903 333 Q HN 0.444 nan 8.270 nan 0.000 0.433 334 I N 1.048 121.571 120.570 -0.079 0.000 2.252 334 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 334 I C 1.705 177.837 176.117 0.026 0.000 1.102 334 I CA 0.749 61.967 61.300 -0.137 0.000 1.385 334 I CB -0.274 37.493 38.000 -0.389 0.000 1.064 334 I HN 0.219 nan 8.210 nan 0.000 0.414 335 N N 0.582 119.383 118.700 0.167 0.000 2.223 335 N HA -0.232 4.507 4.740 -0.001 0.000 0.185 335 N C 1.766 177.364 175.510 0.145 0.000 1.016 335 N CA 1.032 54.225 53.050 0.239 0.000 0.863 335 N CB -0.337 38.288 38.487 0.229 0.000 0.983 335 N HN 0.466 nan 8.380 nan 0.000 0.429 336 Q N 0.245 120.092 119.800 0.077 0.000 2.084 336 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 336 Q C 1.980 178.029 176.000 0.081 0.000 0.978 336 Q CA 1.018 56.855 55.803 0.057 0.000 0.844 336 Q CB -0.091 28.646 28.738 -0.002 0.000 0.898 336 Q HN 0.234 nan 8.270 nan 0.000 0.426 337 L N 0.452 121.689 121.223 0.025 0.000 2.056 337 L HA -0.130 4.210 4.340 -0.001 0.000 0.207 337 L C 1.995 178.961 176.870 0.160 0.000 1.078 337 L CA 1.562 56.422 54.840 0.033 0.000 0.749 337 L CB -0.343 41.652 42.059 -0.107 0.000 0.901 337 L HN 0.289 nan 8.230 nan 0.000 0.433 338 L N -0.613 120.668 121.223 0.097 0.000 2.109 338 L HA -0.130 4.209 4.340 -0.001 0.000 0.207 338 L C 2.267 179.281 176.870 0.240 0.000 1.086 338 L CA 0.744 55.626 54.840 0.070 0.000 0.760 338 L CB -0.741 41.431 42.059 0.188 0.000 0.910 338 L HN 0.336 nan 8.230 nan 0.000 0.437 339 N N -0.503 118.354 118.700 0.262 0.000 2.223 339 N HA -0.231 4.509 4.740 -0.001 0.000 0.185 339 N C 1.524 177.187 175.510 0.255 0.000 1.016 339 N CA 1.271 54.472 53.050 0.251 0.000 0.863 339 N CB -0.225 38.365 38.487 0.172 0.000 0.983 339 N HN 0.451 nan 8.380 nan 0.000 0.429 340 W N 1.304 122.643 121.300 0.065 0.000 2.407 340 W HA -0.139 4.521 4.660 -0.001 0.000 0.305 340 W C 2.519 179.068 176.519 0.049 0.000 1.196 340 W CA 1.693 59.066 57.345 0.047 0.000 1.311 340 W CB -0.832 28.641 29.460 0.021 0.000 1.135 340 W HN 0.196 nan 8.180 nan 0.000 0.514 341 H N -1.183 117.844 119.070 -0.072 0.000 2.352 341 H HA -0.226 4.330 4.556 -0.001 0.000 0.299 341 H C 1.431 176.532 175.328 -0.379 0.000 1.097 341 H CA 2.610 58.390 56.048 -0.446 0.000 1.311 341 H CB -0.712 28.759 29.762 -0.485 0.000 1.377 341 H HN 0.173 nan 8.280 nan 0.000 0.504 342 W N 0.984 122.221 121.300 -0.105 0.000 3.316 342 W HA 0.237 4.897 4.660 -0.001 0.000 0.327 342 W C 0.138 176.582 176.519 -0.126 0.000 1.232 342 W CA 0.047 57.306 57.345 -0.143 0.000 1.805 342 W CB -0.065 29.386 29.460 -0.014 0.000 1.090 342 W HN 0.178 nan 8.180 nan 0.000 0.654 343 K N 0.502 120.919 120.400 0.027 0.000 3.156 343 K HA -0.228 4.091 4.320 -0.001 0.000 0.266 343 K C 0.725 177.368 176.600 0.072 0.000 0.966 343 K CA 0.187 56.477 56.287 0.006 0.000 0.719 343 K CB -1.660 30.810 32.500 -0.049 0.000 1.333 343 K HN 0.221 nan 8.250 nan 0.000 0.468 344 L N -0.394 120.899 121.223 0.118 0.000 2.492 344 L HA 0.002 4.341 4.340 -0.001 0.000 0.223 344 L C 0.945 177.867 176.870 0.087 0.000 1.132 344 L CA 0.698 55.598 54.840 0.099 0.000 0.850 344 L CB -0.266 41.857 42.059 0.107 0.000 0.966 344 L HN 0.375 nan 8.230 nan 0.000 0.454 345 K N -0.886 119.568 120.400 0.090 0.000 2.625 345 K HA 0.398 4.718 4.320 -0.001 0.000 0.284 345 K C -3.044 173.605 176.600 0.082 0.000 0.984 345 K CA -1.411 54.926 56.287 0.083 0.000 0.865 345 K CB 1.095 33.633 32.500 0.063 0.000 1.468 345 K HN -0.351 nan 8.250 nan 0.000 0.407 346 P HA 0.092 nan 4.420 nan 0.000 0.276 346 P C -1.296 176.043 177.300 0.065 0.000 1.235 346 P CA -0.050 63.093 63.100 0.071 0.000 0.772 346 P CB 0.826 32.565 31.700 0.066 0.000 0.871 347 Q N 2.109 121.962 119.800 0.089 0.000 2.304 347 Q HA 0.256 4.595 4.340 -0.001 0.000 0.270 347 Q C 0.760 176.806 176.000 0.077 0.000 1.035 347 Q CA -0.797 55.056 55.803 0.084 0.000 0.781 347 Q CB 1.975 30.791 28.738 0.130 0.000 1.261 347 Q HN 0.331 nan 8.270 nan 0.000 0.444 348 N N 0.945 119.672 118.700 0.045 0.000 2.142 348 N HA -0.045 4.695 4.740 -0.001 0.000 0.186 348 N C -0.149 175.382 175.510 0.035 0.000 1.023 348 N CA 1.140 54.213 53.050 0.038 0.000 0.852 348 N CB 0.240 38.740 38.487 0.022 0.000 0.998 348 N HN 0.529 nan 8.380 nan 0.000 0.424 349 N N 0.297 119.007 118.700 0.018 0.000 2.453 349 N HA 0.314 5.053 4.740 -0.001 0.000 0.290 349 N C -0.350 175.131 175.510 -0.048 0.000 1.250 349 N CA -0.583 52.462 53.050 -0.008 0.000 0.815 349 N CB 1.471 39.942 38.487 -0.026 0.000 1.381 349 N HN -0.088 nan 8.380 nan 0.000 0.510 350 L N 1.506 122.666 121.223 -0.104 0.000 2.461 350 L HA 0.183 4.523 4.340 -0.001 0.000 0.272 350 L C -1.897 174.778 176.870 -0.326 0.000 1.197 350 L CA -1.009 53.667 54.840 -0.274 0.000 0.836 350 L CB -0.029 41.877 42.059 -0.255 0.000 1.105 350 L HN 0.281 nan 8.230 nan 0.000 0.477 351 P HA -0.043 nan 4.420 nan 0.000 0.265 351 P C 0.039 177.153 177.300 -0.310 0.000 1.187 351 P CA 0.176 63.054 63.100 -0.370 0.000 0.766 351 P CB 0.486 31.905 31.700 -0.469 0.000 0.820 352 E N 1.604 121.668 120.200 -0.227 0.000 2.118 352 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 352 E C 1.575 177.992 176.600 -0.305 0.000 0.992 352 E CA 1.065 57.330 56.400 -0.225 0.000 0.804 352 E CB -0.366 29.235 29.700 -0.166 0.000 0.741 352 E HN 0.461 nan 8.360 nan 0.000 0.458 353 L N 0.749 121.786 121.223 -0.310 0.000 2.265 353 L HA -0.091 4.249 4.340 -0.001 0.000 0.215 353 L C 2.120 178.772 176.870 -0.363 0.000 1.117 353 L CA 0.768 55.400 54.840 -0.347 0.000 0.782 353 L CB -0.370 41.506 42.059 -0.305 0.000 0.914 353 L HN 0.295 nan 8.230 nan 0.000 0.441 354 I N -3.692 116.656 120.570 -0.369 0.000 3.856 354 I HA 0.268 4.437 4.170 -0.001 0.000 0.330 354 I C 0.441 176.407 176.117 -0.252 0.000 1.546 354 I CA -0.429 60.666 61.300 -0.340 0.000 1.132 354 I CB 0.191 37.923 38.000 -0.446 0.000 1.157 354 I HN 0.049 nan 8.210 nan 0.000 0.440 355 S N -0.659 114.890 115.700 -0.252 0.000 2.661 355 S HA 0.897 5.366 4.470 -0.001 0.000 0.285 355 S C 0.469 174.968 174.600 -0.168 0.000 1.138 355 S CA -0.155 57.939 58.200 -0.178 0.000 0.855 355 S CB 1.429 64.529 63.200 -0.167 0.000 1.136 355 S HN 0.787 nan 8.310 nan 0.000 0.484 356 G N 1.602 110.354 108.800 -0.079 0.000 2.581 356 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.291 356 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.291 356 G C 0.929 175.843 174.900 0.023 0.000 1.277 356 G CA 0.656 45.753 45.100 -0.006 0.000 0.959 356 G HN 1.665 nan 8.290 nan 0.000 0.554 357 W N 0.936 122.243 121.300 0.011 0.000 2.374 357 W HA -0.026 4.634 4.660 -0.001 0.000 0.288 357 W C 2.242 178.784 176.519 0.038 0.000 1.218 357 W CA 1.358 58.729 57.345 0.043 0.000 1.245 357 W CB -0.742 28.771 29.460 0.089 0.000 1.126 357 W HN 0.560 nan 8.180 nan 0.000 0.545 358 R N 0.830 120.821 120.500 -0.847 0.000 2.075 358 R HA -0.047 4.293 4.340 -0.001 0.000 0.232 358 R C 2.913 178.995 176.300 -0.363 0.000 1.126 358 R CA 1.692 57.293 56.100 -0.832 0.000 0.963 358 R CB -1.073 28.638 30.300 -0.981 0.000 0.858 358 R HN 0.326 nan 8.270 nan 0.000 0.435 359 G N 1.347 109.981 108.800 -0.277 0.000 2.418 359 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 359 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 359 G C 1.056 175.907 174.900 -0.081 0.000 1.158 359 G CA 0.641 45.639 45.100 -0.171 0.000 0.771 359 G HN 0.358 nan 8.290 nan 0.000 0.545 360 E N -0.042 120.138 120.200 -0.033 0.000 2.160 360 E HA -0.040 4.309 4.350 -0.001 0.000 0.195 360 E C 2.443 179.052 176.600 0.016 0.000 0.991 360 E CA 0.498 56.909 56.400 0.019 0.000 0.810 360 E CB -0.123 29.618 29.700 0.069 0.000 0.742 360 E HN 0.411 nan 8.360 nan 0.000 0.466 361 L N -0.202 121.015 121.223 -0.011 0.000 2.168 361 L HA 0.070 4.409 4.340 -0.001 0.000 0.203 361 L C 2.238 179.096 176.870 -0.020 0.000 1.078 361 L CA 0.749 55.560 54.840 -0.048 0.000 0.780 361 L CB 0.056 42.060 42.059 -0.092 0.000 0.939 361 L HN 0.248 nan 8.230 nan 0.000 0.451 362 M N -3.789 115.770 119.600 -0.069 0.000 2.414 362 M HA 0.419 4.898 4.480 -0.001 0.000 0.393 362 M C 1.347 177.582 176.300 -0.108 0.000 1.055 362 M CA 0.078 55.339 55.300 -0.066 0.000 0.937 362 M CB 0.257 32.806 32.600 -0.086 0.000 1.631 362 M HN -0.086 nan 8.290 nan 0.000 0.567 363 A N 1.814 124.568 122.820 -0.109 0.000 1.908 363 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 363 A C 2.086 179.653 177.584 -0.030 0.000 1.181 363 A CA 2.342 54.293 52.037 -0.144 0.000 0.627 363 A CB -0.640 18.333 19.000 -0.044 0.000 0.818 363 A HN 0.729 nan 8.150 nan 0.000 0.445 364 E N -0.196 120.038 120.200 0.058 0.000 2.058 364 E HA -0.159 4.190 4.350 -0.001 0.000 0.194 364 E C 2.137 178.772 176.600 0.059 0.000 0.997 364 E CA 1.212 57.672 56.400 0.101 0.000 0.801 364 E CB -0.283 29.459 29.700 0.069 0.000 0.746 364 E HN 0.538 nan 8.360 nan 0.000 0.450 365 A N 0.837 123.663 122.820 0.009 0.000 1.933 365 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 365 A C 2.206 179.764 177.584 -0.044 0.000 1.175 365 A CA 1.079 53.112 52.037 -0.007 0.000 0.628 365 A CB -0.588 18.406 19.000 -0.010 0.000 0.814 365 A HN 0.313 nan 8.150 nan 0.000 0.444 366 L N -1.392 119.759 121.223 -0.120 0.000 2.056 366 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 366 L C 2.642 179.412 176.870 -0.167 0.000 1.078 366 L CA 1.186 55.907 54.840 -0.198 0.000 0.749 366 L CB -0.691 41.174 42.059 -0.323 0.000 0.901 366 L HN 0.455 nan 8.230 nan 0.000 0.433 367 H N -0.846 118.211 119.070 -0.021 0.000 2.387 367 H HA -0.150 4.406 4.556 -0.001 0.000 0.299 367 H C 2.042 177.379 175.328 0.014 0.000 1.090 367 H CA 1.681 57.740 56.048 0.018 0.000 1.332 367 H CB -0.274 29.514 29.762 0.043 0.000 1.386 367 H HN 0.355 nan 8.280 nan 0.000 0.516 368 N N 0.979 119.751 118.700 0.119 0.000 2.120 368 N HA -0.117 4.622 4.740 -0.001 0.000 0.188 368 N C 2.102 177.642 175.510 0.051 0.000 1.024 368 N CA 0.724 53.818 53.050 0.073 0.000 0.852 368 N CB -0.258 38.258 38.487 0.050 0.000 1.003 368 N HN 0.279 nan 8.380 nan 0.000 0.424 369 L N 0.066 121.306 121.223 0.028 0.000 2.046 369 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 369 L C 1.814 178.743 176.870 0.098 0.000 1.077 369 L CA 1.088 55.955 54.840 0.045 0.000 0.747 369 L CB -0.221 41.835 42.059 -0.005 0.000 0.896 369 L HN 0.260 nan 8.230 nan 0.000 0.432 370 L N -0.517 120.709 121.223 0.006 0.000 2.362 370 L HA -0.186 4.153 4.340 -0.001 0.000 0.219 370 L C 2.438 179.353 176.870 0.074 0.000 1.134 370 L CA 0.708 55.499 54.840 -0.083 0.000 0.807 370 L CB -0.456 41.399 42.059 -0.341 0.000 0.927 370 L HN 0.438 nan 8.230 nan 0.000 0.447 371 Q N -0.227 119.627 119.800 0.090 0.000 2.437 371 Q HA -0.142 4.198 4.340 -0.001 0.000 0.210 371 Q C 1.349 177.371 176.000 0.036 0.000 0.972 371 Q CA 0.679 56.534 55.803 0.085 0.000 0.903 371 Q CB 0.108 28.881 28.738 0.059 0.000 0.967 371 Q HN 0.463 nan 8.270 nan 0.000 0.486 372 E N -0.264 119.920 120.200 -0.027 0.000 2.489 372 E HA -0.006 4.343 4.350 -0.001 0.000 0.193 372 E C -0.527 175.735 176.600 -0.562 0.000 1.057 372 E CA 0.433 56.657 56.400 -0.293 0.000 0.866 372 E CB 0.280 29.730 29.700 -0.417 0.000 0.916 372 E HN 0.345 nan 8.360 nan 0.000 0.500 373 Y N 1.328 121.695 120.300 0.113 0.000 2.326 373 Y HA 0.288 4.837 4.550 -0.001 0.000 0.329 373 Y C -2.116 173.995 175.900 0.353 0.000 0.973 373 Y CA -3.170 55.078 58.100 0.246 0.000 1.162 373 Y CB 1.414 40.013 38.460 0.232 0.000 1.147 373 Y HN -0.145 nan 8.280 nan 0.000 0.456 374 P HA 0.027 nan 4.420 nan 0.000 0.268 374 P C -0.667 176.830 177.300 0.328 0.000 1.204 374 P CA -0.004 63.268 63.100 0.286 0.000 0.768 374 P CB 1.198 33.014 31.700 0.193 0.000 0.842 375 Q N 0.000 119.834 119.800 0.057 0.000 2.315 375 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 375 Q CA 0.000 55.713 55.803 -0.150 0.000 1.022 375 Q CB 0.000 28.556 28.738 -0.303 0.000 1.108 375 Q HN 0.000 nan 8.270 nan 0.000 0.481