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 2p8x_1_T DATA FIRST_RESID 3 DATA SEQUENCE AFTVDQMRSL MDKVTNVRNM SVIAHVDHGK STLTDSLVQR AGIISAXXXX DATA SEQUENCE XXXXXXXXXX XXXXGITIKS TAISLYSEMS DEDVKEIKQK TDGNSFLINL DATA SEQUENCE IDSPGHVDFS SEVTAALRVT DGALVVVDTI EGVCVQTETV LRQALGERIK DATA SEQUENCE PVVVINKVDR ALLELQVSKE DLYQTFARTV ESVNVIVSTY ADEVLGDVQV DATA SEQUENCE YPARGTVAFG SGLHGWAFTI RQFATRYAKK FGVDKAKMMD RLWGDSFFNP DATA SEQUENCE KTKKWTNKDT DAEGKPLERA FNMFILDPIF RLFTAIMNFK KDEIPVLLEK DATA SEQUENCE LEIVLKGDEK DLEGKALLKV VMRKFLPAAD ALLEMIVLHL PSPVTAQAYR DATA SEQUENCE AEQLYEGPAD DANCIAIKNC DPKADLMLYV SKMVPTSDKG RFYAFGRVFA DATA SEQUENCE GTVKSGQKVR IQGPNYVPGK KDDLFIKAIQ RVVLMMGRFV EPIDDCPAGN DATA SEQUENCE IIGLVGIDQF LLKTGTLTTS ETAHNMKVMK FSVSPVVQVA VEVKNANDLP DATA SEQUENCE KLVEGLKRLS KSDPCVLTYM SESGEHIVAG TGELHLEICL QDLEHDHAGV DATA SEQUENCE PLKISPPVVA YRETVESESS QTALSKSPNK HNRIYLKAEP IDEEVSLAIE DATA SEQUENCE NGIINPRDDF KARARIMADD YGWDVTDARK IWCFGPDGNG PNLVIDQTKA DATA SEQUENCE VQYLHEIKDS VVAAFQWATK EGPIFGEEMR SVRVNILDVT LHADAIXRGG DATA SEQUENCE GQIIPTMRRA TYAGFLLADP KIXXXXXLVE IQCPEQAVGG IYSVLNKKRG DATA SEQUENCE QVVSEEQXXX TPLFTVKAYL PVNESFGFTG ELRQATGGQA FPQMVFDHWS DATA SEQUENCE TLGSDPLDPT SKAGEIVLAA RKRHGMKEEV PGWQEYYDKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.370 177.584 -0.357 0.000 1.274 3 A CA 0.000 51.817 52.037 -0.367 0.000 0.836 3 A CB 0.000 18.887 19.000 -0.189 0.000 0.831 4 F N 0.882 120.782 119.950 -0.083 0.000 2.575 4 F HA 0.807 5.334 4.527 -0.000 0.000 0.330 4 F C 1.191 176.955 175.800 -0.059 0.000 1.056 4 F CA -0.185 57.762 58.000 -0.090 0.000 0.964 4 F CB 2.047 40.984 39.000 -0.105 0.000 1.258 4 F HN 0.631 nan 8.300 nan 0.000 0.484 5 T N -2.039 112.620 114.554 0.175 0.000 2.902 5 T HA 0.384 4.734 4.350 -0.000 0.000 0.280 5 T C 0.960 175.687 174.700 0.045 0.000 0.992 5 T CA -0.671 61.471 62.100 0.069 0.000 1.015 5 T CB 1.186 70.072 68.868 0.031 0.000 1.044 5 T HN 0.285 nan 8.240 nan 0.000 0.520 6 V N 1.273 121.202 119.914 0.024 0.000 2.469 6 V HA -0.163 3.957 4.120 -0.000 0.000 0.251 6 V C 2.472 178.560 176.094 -0.011 0.000 1.064 6 V CA 2.069 64.377 62.300 0.013 0.000 1.066 6 V CB -0.771 31.058 31.823 0.009 0.000 0.667 6 V HN 0.897 nan 8.190 nan 0.000 0.461 7 D N -0.564 119.824 120.400 -0.021 0.000 2.117 7 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 7 D C 2.302 178.555 176.300 -0.079 0.000 0.982 7 D CA 1.239 55.215 54.000 -0.041 0.000 0.828 7 D CB -0.041 40.736 40.800 -0.037 0.000 0.967 7 D HN 0.547 nan 8.370 nan 0.000 0.464 8 Q N -0.265 119.471 119.800 -0.107 0.000 2.084 8 Q HA -0.106 4.233 4.340 -0.000 0.000 0.202 8 Q C 2.286 178.128 176.000 -0.264 0.000 0.978 8 Q CA 0.869 56.527 55.803 -0.243 0.000 0.844 8 Q CB 0.024 28.549 28.738 -0.355 0.000 0.898 8 Q HN 0.227 nan 8.270 nan 0.000 0.426 9 M N 0.117 119.634 119.600 -0.138 0.000 2.067 9 M HA -0.161 4.318 4.480 -0.000 0.000 0.260 9 M C 2.190 178.454 176.300 -0.059 0.000 1.069 9 M CA 1.497 56.757 55.300 -0.067 0.000 1.117 9 M CB -0.853 31.762 32.600 0.025 0.000 1.334 9 M HN 0.042 nan 8.290 nan 0.000 0.407 10 R N 0.252 120.723 120.500 -0.048 0.000 2.127 10 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 10 R C 2.393 178.659 176.300 -0.057 0.000 1.134 10 R CA 2.061 58.137 56.100 -0.041 0.000 0.975 10 R CB -0.810 29.470 30.300 -0.033 0.000 0.865 10 R HN 0.362 nan 8.270 nan 0.000 0.447 11 S N -0.843 114.807 115.700 -0.083 0.000 2.387 11 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 11 S C 1.653 176.197 174.600 -0.093 0.000 1.026 11 S CA 0.754 58.900 58.200 -0.090 0.000 0.972 11 S CB -0.238 62.894 63.200 -0.112 0.000 0.814 11 S HN 0.297 nan 8.310 nan 0.000 0.477 12 L N 1.551 122.707 121.223 -0.111 0.000 2.093 12 L HA 0.181 4.521 4.340 -0.000 0.000 0.208 12 L C 2.283 179.124 176.870 -0.047 0.000 1.085 12 L CA 1.745 56.534 54.840 -0.085 0.000 0.755 12 L CB -0.766 41.244 42.059 -0.081 0.000 0.904 12 L HN 0.412 nan 8.230 nan 0.000 0.435 13 M N -1.422 118.156 119.600 -0.038 0.000 2.557 13 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 13 M C 1.327 177.607 176.300 -0.034 0.000 1.086 13 M CA 0.704 55.989 55.300 -0.025 0.000 1.096 13 M CB -0.265 32.325 32.600 -0.018 0.000 1.424 13 M HN 0.125 nan 8.290 nan 0.000 0.488 14 D N 1.113 121.487 120.400 -0.043 0.000 2.162 14 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 14 D C 0.526 176.801 176.300 -0.043 0.000 0.967 14 D CA 1.022 54.996 54.000 -0.042 0.000 0.840 14 D CB 0.118 40.891 40.800 -0.046 0.000 0.972 14 D HN 0.316 nan 8.370 nan 0.000 0.482 15 K N 1.512 121.882 120.400 -0.051 0.000 2.502 15 K HA 0.096 4.416 4.320 -0.000 0.000 0.244 15 K C 1.390 177.968 176.600 -0.038 0.000 1.249 15 K CA -0.185 56.070 56.287 -0.054 0.000 1.193 15 K CB 0.817 33.266 32.500 -0.086 0.000 1.674 15 K HN -0.050 nan 8.250 nan 0.000 0.302 16 V N -1.780 118.118 119.914 -0.027 0.000 2.982 16 V HA -0.243 3.877 4.120 -0.000 0.000 0.265 16 V C 1.902 177.998 176.094 0.004 0.000 1.122 16 V CA 1.985 64.276 62.300 -0.014 0.000 1.143 16 V CB -1.388 30.420 31.823 -0.025 0.000 0.726 16 V HN 0.560 nan 8.190 nan 0.000 0.507 17 T N -1.678 112.878 114.554 0.002 0.000 2.995 17 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 17 T C 1.151 175.899 174.700 0.078 0.000 1.091 17 T CA 1.437 63.554 62.100 0.028 0.000 1.128 17 T CB -0.596 68.281 68.868 0.015 0.000 0.891 17 T HN 0.541 nan 8.240 nan 0.000 0.492 18 N N 0.707 119.436 118.700 0.047 0.000 2.380 18 N HA 0.410 5.150 4.740 -0.000 0.000 0.255 18 N C -1.123 174.484 175.510 0.161 0.000 1.158 18 N CA -0.154 52.960 53.050 0.108 0.000 0.878 18 N CB 0.941 39.265 38.487 -0.272 0.000 1.138 18 N HN 0.242 nan 8.380 nan 0.000 0.509 19 V N 0.576 120.561 119.914 0.118 0.000 2.815 19 V HA 0.554 4.674 4.120 -0.000 0.000 0.314 19 V C -0.252 175.894 176.094 0.086 0.000 1.064 19 V CA -0.807 61.547 62.300 0.091 0.000 0.952 19 V CB 2.165 34.011 31.823 0.039 0.000 1.020 19 V HN 0.108 nan 8.190 nan 0.000 0.439 20 R N 2.779 123.321 120.500 0.071 0.000 2.500 20 R HA 0.396 4.736 4.340 -0.000 0.000 0.299 20 R C -1.148 175.175 176.300 0.039 0.000 1.038 20 R CA -0.389 55.738 56.100 0.044 0.000 0.903 20 R CB 1.503 31.819 30.300 0.027 0.000 1.177 20 R HN 0.763 nan 8.270 nan 0.000 0.455 21 N N 3.756 122.473 118.700 0.030 0.000 2.437 21 N HA 0.501 5.241 4.740 -0.000 0.000 0.259 21 N C -0.146 175.386 175.510 0.037 0.000 0.983 21 N CA -0.485 52.585 53.050 0.034 0.000 0.937 21 N CB 1.071 39.567 38.487 0.016 0.000 1.122 21 N HN 0.379 nan 8.380 nan 0.000 0.499 22 M N -0.428 119.196 119.600 0.040 0.000 2.924 22 M HA 0.655 5.135 4.480 -0.000 0.000 0.271 22 M C -0.997 175.320 176.300 0.028 0.000 1.280 22 M CA -0.918 54.400 55.300 0.031 0.000 0.813 22 M CB 1.298 33.907 32.600 0.015 0.000 1.658 22 M HN 0.290 nan 8.290 nan 0.000 0.467 23 S N -0.785 114.923 115.700 0.013 0.000 2.705 23 S HA 0.952 5.421 4.470 -0.000 0.000 0.280 23 S C -1.457 173.133 174.600 -0.017 0.000 1.174 23 S CA -0.792 57.409 58.200 0.001 0.000 0.823 23 S CB 1.576 64.778 63.200 0.004 0.000 1.162 23 S HN 1.019 nan 8.310 nan 0.000 0.487 24 V N 1.463 121.361 119.914 -0.027 0.000 2.417 24 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 24 V C -0.635 175.432 176.094 -0.044 0.000 1.024 24 V CA -0.594 61.684 62.300 -0.037 0.000 0.861 24 V CB 1.065 32.866 31.823 -0.037 0.000 0.985 24 V HN 0.798 nan 8.190 nan 0.000 0.436 25 I N 4.330 124.873 120.570 -0.046 0.000 2.339 25 I HA 0.801 4.970 4.170 -0.000 0.000 0.290 25 I C 0.196 176.287 176.117 -0.044 0.000 0.994 25 I CA -0.212 61.057 61.300 -0.052 0.000 1.191 25 I CB 1.562 39.532 38.000 -0.051 0.000 1.343 25 I HN 0.762 nan 8.210 nan 0.000 0.458 26 A N 5.367 128.156 122.820 -0.052 0.000 2.566 26 A HA 0.401 4.721 4.320 -0.000 0.000 0.297 26 A C -1.191 176.342 177.584 -0.085 0.000 1.059 26 A CA -0.610 51.407 52.037 -0.034 0.000 0.691 26 A CB 1.333 20.335 19.000 0.004 0.000 1.282 26 A HN 0.729 nan 8.150 nan 0.000 0.401 27 H N 1.716 120.603 119.070 -0.304 0.000 2.707 27 H HA 0.407 4.963 4.556 -0.000 0.000 0.359 27 H C 0.519 175.636 175.328 -0.352 0.000 1.113 27 H CA 0.841 56.634 56.048 -0.425 0.000 1.422 27 H CB 1.192 30.485 29.762 -0.782 0.000 1.443 27 H HN 0.766 nan 8.280 nan 0.000 0.591 28 V N 2.605 122.454 119.914 -0.107 0.000 2.843 28 V HA -0.061 4.059 4.120 -0.000 0.000 0.305 28 V C 0.821 177.021 176.094 0.177 0.000 1.120 28 V CA 0.448 62.767 62.300 0.033 0.000 1.254 28 V CB 0.127 31.946 31.823 -0.007 0.000 0.901 28 V HN 1.035 nan 8.190 nan 0.000 0.503 29 D N 0.082 120.558 120.400 0.127 0.000 2.946 29 D HA -0.233 4.407 4.640 -0.000 0.000 0.202 29 D C 0.887 177.324 176.300 0.227 0.000 1.068 29 D CA 1.951 56.044 54.000 0.154 0.000 1.011 29 D CB -1.079 39.815 40.800 0.156 0.000 1.105 29 D HN 0.998 nan 8.370 nan 0.000 0.425 30 H N 0.023 119.116 119.070 0.038 0.000 2.556 30 H HA 0.243 4.798 4.556 -0.000 0.000 0.268 30 H C 1.825 177.141 175.328 -0.020 0.000 0.996 30 H CA 0.589 56.638 56.048 0.003 0.000 1.157 30 H CB 0.427 30.195 29.762 0.010 0.000 1.355 30 H HN 0.403 nan 8.280 nan 0.000 0.597 31 G N 1.702 110.558 108.800 0.093 0.000 2.131 31 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.201 31 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.201 31 G C 1.018 175.923 174.900 0.008 0.000 1.000 31 G CA 0.432 45.547 45.100 0.025 0.000 0.680 31 G HN 0.432 nan 8.290 nan 0.000 0.514 32 K N 0.557 120.967 120.400 0.017 0.000 2.063 32 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 32 K C 2.555 179.146 176.600 -0.016 0.000 1.048 32 K CA 2.183 58.466 56.287 -0.007 0.000 0.928 32 K CB -0.298 32.193 32.500 -0.014 0.000 0.713 32 K HN 0.337 nan 8.250 nan 0.000 0.442 33 S N 0.069 115.762 115.700 -0.012 0.000 2.345 33 S HA -0.143 4.327 4.470 -0.000 0.000 0.220 33 S C 2.046 176.639 174.600 -0.012 0.000 1.031 33 S CA 1.834 60.026 58.200 -0.014 0.000 0.996 33 S CB -0.544 62.649 63.200 -0.011 0.000 0.882 33 S HN 0.723 nan 8.310 nan 0.000 0.445 34 T N 0.954 115.502 114.554 -0.010 0.000 2.915 34 T HA 0.083 4.432 4.350 -0.000 0.000 0.269 34 T C 1.700 176.390 174.700 -0.018 0.000 1.071 34 T CA 0.734 62.829 62.100 -0.009 0.000 1.132 34 T CB -0.511 68.352 68.868 -0.008 0.000 0.878 34 T HN 0.242 nan 8.240 nan 0.000 0.479 35 L N 1.544 122.751 121.223 -0.027 0.000 2.072 35 L HA -0.011 4.328 4.340 -0.000 0.000 0.205 35 L C 3.349 180.203 176.870 -0.026 0.000 1.079 35 L CA 1.752 56.569 54.840 -0.037 0.000 0.752 35 L CB -0.922 41.107 42.059 -0.051 0.000 0.906 35 L HN 0.537 nan 8.230 nan 0.000 0.436 36 T N -4.113 110.429 114.554 -0.021 0.000 2.904 36 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 36 T C 1.479 176.176 174.700 -0.006 0.000 1.059 36 T CA 1.121 63.213 62.100 -0.014 0.000 1.137 36 T CB -0.246 68.613 68.868 -0.016 0.000 0.879 36 T HN 0.169 nan 8.240 nan 0.000 0.467 37 D N 1.296 121.694 120.400 -0.005 0.000 2.117 37 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 37 D C 2.384 178.688 176.300 0.007 0.000 0.987 37 D CA 1.455 55.457 54.000 0.003 0.000 0.829 37 D CB -0.627 40.175 40.800 0.004 0.000 0.961 37 D HN 0.507 nan 8.370 nan 0.000 0.460 38 S N -0.087 115.615 115.700 0.003 0.000 2.359 38 S HA -0.113 4.356 4.470 -0.000 0.000 0.224 38 S C 2.146 176.752 174.600 0.009 0.000 1.035 38 S CA 0.723 58.927 58.200 0.007 0.000 1.018 38 S CB -0.324 62.873 63.200 -0.004 0.000 0.876 38 S HN 0.193 nan 8.310 nan 0.000 0.448 39 L N 0.912 122.137 121.223 0.003 0.000 2.017 39 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 39 L C 2.591 179.473 176.870 0.020 0.000 1.073 39 L CA 1.230 56.075 54.840 0.009 0.000 0.745 39 L CB -0.608 41.452 42.059 0.003 0.000 0.894 39 L HN 0.254 nan 8.230 nan 0.000 0.432 40 V N -0.476 119.449 119.914 0.018 0.000 2.343 40 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 40 V C 2.423 178.530 176.094 0.021 0.000 1.051 40 V CA 1.722 64.036 62.300 0.023 0.000 1.036 40 V CB -0.542 31.294 31.823 0.020 0.000 0.654 40 V HN 0.513 nan 8.190 nan 0.000 0.451 41 Q N -0.554 119.258 119.800 0.019 0.000 2.167 41 Q HA -0.227 4.112 4.340 -0.000 0.000 0.202 41 Q C 2.420 178.432 176.000 0.021 0.000 0.970 41 Q CA 1.564 57.378 55.803 0.018 0.000 0.855 41 Q CB -0.135 28.616 28.738 0.020 0.000 0.911 41 Q HN 0.479 nan 8.270 nan 0.000 0.438 42 R N 0.047 120.563 120.500 0.026 0.000 2.112 42 R HA 0.055 4.395 4.340 -0.000 0.000 0.216 42 R C 1.014 177.339 176.300 0.042 0.000 1.080 42 R CA 1.475 57.594 56.100 0.033 0.000 0.996 42 R CB 0.131 30.451 30.300 0.034 0.000 0.902 42 R HN 0.108 nan 8.270 nan 0.000 0.449 43 A N -0.769 122.080 122.820 0.047 0.000 2.671 43 A HA 0.430 4.749 4.320 -0.000 0.000 0.265 43 A C 0.617 178.246 177.584 0.075 0.000 1.148 43 A CA -0.018 52.066 52.037 0.077 0.000 0.977 43 A CB 0.031 19.084 19.000 0.089 0.000 1.242 43 A HN 0.348 nan 8.150 nan 0.000 0.591 44 G N 0.356 109.182 108.800 0.043 0.000 2.474 44 G HA2 0.374 4.333 3.960 -0.000 0.000 0.233 44 G HA3 0.374 4.333 3.960 -0.000 0.000 0.233 44 G C -0.126 174.778 174.900 0.008 0.000 1.278 44 G CA 0.316 45.438 45.100 0.037 0.000 0.861 44 G HN 0.352 nan 8.290 nan 0.000 0.567 45 I N 1.064 121.650 120.570 0.026 0.000 2.493 45 I HA 0.482 4.652 4.170 -0.000 0.000 0.298 45 I C -0.046 176.064 176.117 -0.011 0.000 0.998 45 I CA -0.542 60.744 61.300 -0.023 0.000 1.137 45 I CB 1.867 39.925 38.000 0.097 0.000 1.310 45 I HN 0.224 nan 8.210 nan 0.000 0.445 46 I N 3.077 123.605 120.570 -0.069 0.000 2.769 46 I HA 0.239 4.408 4.170 -0.000 0.000 0.298 46 I C -0.082 176.009 176.117 -0.044 0.000 1.128 46 I CA -0.615 60.660 61.300 -0.043 0.000 1.031 46 I CB 2.376 40.338 38.000 -0.064 0.000 1.235 46 I HN 0.446 nan 8.210 nan 0.000 0.423 47 S N 3.017 118.700 115.700 -0.028 0.000 2.558 47 S HA 0.317 4.786 4.470 -0.000 0.000 0.288 47 S C 0.471 175.049 174.600 -0.036 0.000 1.318 47 S CA -0.455 57.736 58.200 -0.015 0.000 1.056 47 S CB 0.883 64.064 63.200 -0.032 0.000 0.853 47 S HN 0.654 nan 8.310 nan 0.000 0.505 68 I N 3.189 123.816 120.570 0.095 0.000 2.315 68 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 68 I C 0.593 176.784 176.117 0.123 0.000 1.006 68 I CA -0.299 61.052 61.300 0.084 0.000 1.265 68 I CB 1.692 39.749 38.000 0.096 0.000 1.387 68 I HN 0.195 nan 8.210 nan 0.000 0.475 69 T N 5.136 119.711 114.554 0.034 0.000 2.932 69 T HA 0.823 5.173 4.350 -0.000 0.000 0.289 69 T C -0.308 174.282 174.700 -0.182 0.000 1.039 69 T CA -0.740 61.328 62.100 -0.054 0.000 1.024 69 T CB 2.270 71.079 68.868 -0.097 0.000 1.090 69 T HN 0.510 nan 8.240 nan 0.000 0.496 70 I N -2.174 118.226 120.570 -0.284 0.000 3.264 70 I HA 0.673 4.843 4.170 -0.000 0.000 0.315 70 I C -0.683 175.254 176.117 -0.299 0.000 1.154 70 I CA -1.707 59.422 61.300 -0.285 0.000 0.962 70 I CB 2.220 40.081 38.000 -0.232 0.000 1.265 70 I HN 0.710 nan 8.210 nan 0.000 0.463 71 K N 2.011 122.254 120.400 -0.261 0.000 2.297 71 K HA 0.220 4.540 4.320 -0.000 0.000 0.286 71 K C 0.010 176.479 176.600 -0.219 0.000 1.053 71 K CA -0.160 55.990 56.287 -0.228 0.000 0.940 71 K CB 1.061 33.444 32.500 -0.195 0.000 1.019 71 K HN 0.712 nan 8.250 nan 0.000 0.475 72 S N 3.077 118.648 115.700 -0.215 0.000 2.596 72 S HA -0.016 4.453 4.470 -0.000 0.000 0.298 72 S C 0.335 174.834 174.600 -0.169 0.000 1.255 72 S CA 0.047 58.138 58.200 -0.182 0.000 1.083 72 S CB 0.190 63.299 63.200 -0.151 0.000 0.837 72 S HN 0.755 nan 8.310 nan 0.000 0.499 73 T N 3.894 118.339 114.554 -0.182 0.000 2.964 73 T HA 0.538 4.888 4.350 -0.000 0.000 0.249 73 T C 0.151 174.710 174.700 -0.234 0.000 1.000 73 T CA 0.406 62.344 62.100 -0.271 0.000 0.992 73 T CB 0.523 69.136 68.868 -0.424 0.000 1.087 73 T HN 0.821 nan 8.240 nan 0.000 0.489 74 A N 0.951 123.702 122.820 -0.114 0.000 2.589 74 A HA 0.769 5.089 4.320 -0.000 0.000 0.296 74 A C -1.897 175.699 177.584 0.020 0.000 1.062 74 A CA -0.780 51.243 52.037 -0.024 0.000 0.686 74 A CB 1.048 20.082 19.000 0.056 0.000 1.282 74 A HN 0.269 nan 8.150 nan 0.000 0.404 75 I N 0.801 121.393 120.570 0.037 0.000 2.608 75 I HA 0.481 4.651 4.170 -0.000 0.000 0.295 75 I C 0.002 176.164 176.117 0.075 0.000 1.049 75 I CA -0.663 60.669 61.300 0.054 0.000 1.063 75 I CB 2.503 40.525 38.000 0.037 0.000 1.248 75 I HN 0.511 nan 8.210 nan 0.000 0.424 76 S N 5.239 120.995 115.700 0.094 0.000 2.489 76 S HA 0.697 5.166 4.470 -0.000 0.000 0.291 76 S C -0.597 174.078 174.600 0.125 0.000 1.151 76 S CA -0.536 57.735 58.200 0.117 0.000 1.082 76 S CB 1.319 64.604 63.200 0.141 0.000 1.019 76 S HN 0.207 nan 8.310 nan 0.000 0.492 77 L N 2.591 123.898 121.223 0.140 0.000 2.341 77 L HA 0.585 4.925 4.340 -0.000 0.000 0.267 77 L C -0.886 176.129 176.870 0.241 0.000 1.009 77 L CA -0.724 54.206 54.840 0.150 0.000 0.819 77 L CB 1.207 43.323 42.059 0.095 0.000 1.323 77 L HN 0.731 nan 8.230 nan 0.000 0.425 78 Y N 0.985 121.359 120.300 0.124 0.000 2.391 78 Y HA 0.719 5.269 4.550 -0.000 0.000 0.341 78 Y C -0.576 175.419 175.900 0.157 0.000 0.965 78 Y CA -0.333 57.880 58.100 0.188 0.000 1.067 78 Y CB 2.002 40.631 38.460 0.281 0.000 1.199 78 Y HN 0.562 nan 8.280 nan 0.000 0.450 79 S N 4.510 119.910 115.700 -0.500 0.000 2.536 79 S HA 0.544 5.014 4.470 -0.000 0.000 0.271 79 S C -1.868 172.556 174.600 -0.294 0.000 1.134 79 S CA -0.721 57.312 58.200 -0.278 0.000 0.897 79 S CB 1.219 64.385 63.200 -0.057 0.000 1.094 79 S HN 0.764 nan 8.310 nan 0.000 0.473 80 E N 3.330 123.465 120.200 -0.109 0.000 2.210 80 E HA 0.479 4.829 4.350 -0.000 0.000 0.266 80 E C -0.790 175.863 176.600 0.089 0.000 0.883 80 E CA -0.897 55.511 56.400 0.012 0.000 0.761 80 E CB 1.648 31.373 29.700 0.042 0.000 1.156 80 E HN 0.475 nan 8.360 nan 0.000 0.412 81 M N 1.258 120.957 119.600 0.165 0.000 2.644 81 M HA 0.309 4.788 4.480 -0.000 0.000 0.316 81 M C 0.351 176.701 176.300 0.083 0.000 1.200 81 M CA -0.839 54.523 55.300 0.104 0.000 0.944 81 M CB 1.695 34.358 32.600 0.105 0.000 1.691 81 M HN 0.553 nan 8.290 nan 0.000 0.471 82 S N -0.139 115.589 115.700 0.046 0.000 2.593 82 S HA 0.133 4.603 4.470 -0.000 0.000 0.269 82 S C 0.613 175.236 174.600 0.040 0.000 1.334 82 S CA -0.434 57.788 58.200 0.037 0.000 1.015 82 S CB 0.759 63.972 63.200 0.021 0.000 0.912 82 S HN 0.633 nan 8.310 nan 0.000 0.541 83 D N 1.356 121.775 120.400 0.032 0.000 2.158 83 D HA -0.190 4.449 4.640 -0.000 0.000 0.197 83 D C 1.961 178.275 176.300 0.024 0.000 0.995 83 D CA 1.997 56.014 54.000 0.029 0.000 0.846 83 D CB -0.159 40.654 40.800 0.021 0.000 0.941 83 D HN 0.959 nan 8.370 nan 0.000 0.456 84 E N 1.125 121.335 120.200 0.017 0.000 2.047 84 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 84 E C 1.440 178.043 176.600 0.005 0.000 0.987 84 E CA 1.089 57.495 56.400 0.010 0.000 0.799 84 E CB -0.138 29.566 29.700 0.007 0.000 0.752 84 E HN -0.006 nan 8.360 nan 0.000 0.449 85 D N 1.125 121.527 120.400 0.003 0.000 2.106 85 D HA -0.164 4.476 4.640 -0.000 0.000 0.191 85 D C 2.198 178.490 176.300 -0.015 0.000 0.997 85 D CA 1.699 55.690 54.000 -0.015 0.000 0.834 85 D CB -0.447 40.341 40.800 -0.021 0.000 0.956 85 D HN 0.117 nan 8.370 nan 0.000 0.448 86 V N 0.832 120.762 119.914 0.028 0.000 2.546 86 V HA -0.246 3.874 4.120 -0.000 0.000 0.254 86 V C 2.215 178.329 176.094 0.033 0.000 1.076 86 V CA 1.501 63.840 62.300 0.065 0.000 1.087 86 V CB -0.387 31.513 31.823 0.127 0.000 0.674 86 V HN 0.231 nan 8.190 nan 0.000 0.470 87 K N -0.351 120.059 120.400 0.016 0.000 2.217 87 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 87 K C 2.026 178.623 176.600 -0.005 0.000 1.051 87 K CA 1.089 57.381 56.287 0.009 0.000 0.952 87 K CB -0.080 32.424 32.500 0.008 0.000 0.736 87 K HN 0.568 nan 8.250 nan 0.000 0.453 88 E N 0.680 120.868 120.200 -0.021 0.000 2.347 88 E HA -0.036 4.314 4.350 -0.000 0.000 0.196 88 E C 0.112 176.673 176.600 -0.065 0.000 1.008 88 E CA 0.171 56.548 56.400 -0.038 0.000 0.852 88 E CB 0.054 29.725 29.700 -0.048 0.000 0.783 88 E HN 0.265 nan 8.360 nan 0.000 0.505 89 I N 2.563 123.090 120.570 -0.072 0.000 2.671 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.285 89 I C 0.677 176.769 176.117 -0.042 0.000 1.148 89 I CA 0.509 61.754 61.300 -0.092 0.000 1.386 89 I CB 0.312 38.271 38.000 -0.069 0.000 1.406 89 I HN -0.174 nan 8.210 nan 0.000 0.540 90 K N 7.626 128.001 120.400 -0.042 0.000 3.225 90 K HA 0.022 4.342 4.320 -0.000 0.000 0.282 90 K C -0.024 176.582 176.600 0.009 0.000 1.060 90 K CA 0.006 56.289 56.287 -0.006 0.000 1.186 90 K CB -0.268 32.237 32.500 0.010 0.000 1.214 90 K HN 0.636 nan 8.250 nan 0.000 0.428 91 Q N -1.210 118.596 119.800 0.010 0.000 2.527 91 Q HA 0.222 4.562 4.340 -0.000 0.000 0.280 91 Q C -1.346 174.674 176.000 0.034 0.000 0.977 91 Q CA -1.113 54.706 55.803 0.025 0.000 0.837 91 Q CB 0.925 29.681 28.738 0.030 0.000 1.454 91 Q HN -0.118 nan 8.270 nan 0.000 0.387 92 K N 1.493 121.913 120.400 0.034 0.000 2.441 92 K HA 0.026 4.345 4.320 -0.000 0.000 0.273 92 K C -1.011 175.618 176.600 0.049 0.000 1.090 92 K CA 1.166 57.472 56.287 0.032 0.000 1.158 92 K CB 0.142 32.656 32.500 0.024 0.000 0.847 92 K HN 0.580 nan 8.250 nan 0.000 0.483 93 T N 3.275 117.859 114.554 0.049 0.000 2.876 93 T HA 0.151 4.500 4.350 -0.000 0.000 0.289 93 T C -1.157 173.549 174.700 0.010 0.000 1.014 93 T CA -0.773 61.368 62.100 0.068 0.000 0.986 93 T CB 1.413 70.357 68.868 0.126 0.000 1.021 93 T HN 0.478 nan 8.240 nan 0.000 0.458 94 D N 1.434 121.810 120.400 -0.040 0.000 2.412 94 D HA 0.525 5.165 4.640 -0.000 0.000 0.276 94 D C 0.487 176.704 176.300 -0.138 0.000 1.196 94 D CA 0.420 54.377 54.000 -0.073 0.000 0.905 94 D CB -0.065 40.694 40.800 -0.068 0.000 1.081 94 D HN 1.000 nan 8.370 nan 0.000 0.502 95 G N 2.860 111.591 108.800 -0.114 0.000 2.631 95 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.504 95 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.504 95 G C 0.273 175.044 174.900 -0.215 0.000 1.306 95 G CA -0.595 44.418 45.100 -0.144 0.000 0.897 95 G HN 0.364 nan 8.290 nan 0.000 0.520 96 N N -0.101 118.480 118.700 -0.198 0.000 2.203 96 N HA 0.295 5.034 4.740 -0.000 0.000 0.207 96 N C 0.370 175.680 175.510 -0.333 0.000 1.130 96 N CA 0.603 53.561 53.050 -0.154 0.000 0.861 96 N CB 0.933 39.419 38.487 -0.002 0.000 1.005 96 N HN 0.507 nan 8.380 nan 0.000 0.507 97 S N 0.361 115.732 115.700 -0.549 0.000 2.541 97 S HA 0.586 5.055 4.470 -0.000 0.000 0.283 97 S C -0.702 173.328 174.600 -0.950 0.000 1.196 97 S CA -0.334 57.550 58.200 -0.527 0.000 1.062 97 S CB 0.781 63.878 63.200 -0.172 0.000 1.009 97 S HN 0.037 nan 8.310 nan 0.000 0.502 98 F N 1.675 121.461 119.950 -0.272 0.000 2.578 98 F HA 0.546 5.073 4.527 -0.000 0.000 0.311 98 F C -0.576 175.158 175.800 -0.110 0.000 1.094 98 F CA -0.977 56.930 58.000 -0.154 0.000 0.923 98 F CB 1.416 40.333 39.000 -0.139 0.000 1.230 98 F HN 0.311 nan 8.300 nan 0.000 0.450 99 L N 4.677 125.987 121.223 0.145 0.000 2.305 99 L HA 0.696 5.035 4.340 -0.000 0.000 0.284 99 L C -1.212 175.738 176.870 0.134 0.000 1.013 99 L CA -0.375 54.559 54.840 0.157 0.000 0.819 99 L CB 0.841 42.977 42.059 0.129 0.000 1.227 99 L HN 0.504 nan 8.230 nan 0.000 0.417 100 I N 4.736 125.382 120.570 0.127 0.000 2.389 100 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 100 I C -0.441 175.728 176.117 0.087 0.000 0.999 100 I CA -0.426 60.927 61.300 0.090 0.000 1.129 100 I CB 1.379 39.418 38.000 0.065 0.000 1.288 100 I HN 0.632 nan 8.210 nan 0.000 0.444 101 N N 6.425 125.170 118.700 0.075 0.000 2.462 101 N HA 0.333 5.073 4.740 -0.000 0.000 0.242 101 N C -0.884 174.665 175.510 0.065 0.000 1.010 101 N CA -0.564 52.533 53.050 0.079 0.000 0.939 101 N CB 1.166 39.702 38.487 0.083 0.000 1.127 101 N HN 0.367 nan 8.380 nan 0.000 0.509 102 L N 4.830 126.086 121.223 0.056 0.000 2.282 102 L HA 0.415 4.754 4.340 -0.000 0.000 0.287 102 L C -0.830 176.060 176.870 0.033 0.000 1.075 102 L CA -0.221 54.640 54.840 0.035 0.000 0.839 102 L CB 0.039 42.112 42.059 0.023 0.000 1.219 102 L HN 0.494 nan 8.230 nan 0.000 0.434 103 I N 3.578 124.173 120.570 0.042 0.000 2.365 103 I HA 0.164 4.333 4.170 -0.000 0.000 0.291 103 I C 0.200 176.309 176.117 -0.012 0.000 1.004 103 I CA -0.627 60.697 61.300 0.039 0.000 1.311 103 I CB 1.112 39.182 38.000 0.117 0.000 1.401 103 I HN 0.517 nan 8.210 nan 0.000 0.491 104 D N 4.911 125.271 120.400 -0.067 0.000 2.414 104 D HA 0.195 4.835 4.640 -0.000 0.000 0.242 104 D C -0.468 175.781 176.300 -0.084 0.000 1.129 104 D CA 0.210 54.158 54.000 -0.087 0.000 0.885 104 D CB 0.804 41.529 40.800 -0.125 0.000 1.198 104 D HN 0.551 nan 8.370 nan 0.000 0.437 105 S N 2.336 117.986 115.700 -0.084 0.000 2.526 105 S HA 0.717 5.187 4.470 -0.000 0.000 0.293 105 S C -2.628 171.884 174.600 -0.147 0.000 1.092 105 S CA -1.411 56.730 58.200 -0.098 0.000 0.980 105 S CB 1.637 64.785 63.200 -0.087 0.000 1.048 105 S HN 0.250 nan 8.310 nan 0.000 0.483 106 P HA 0.249 nan 4.420 nan 0.000 0.271 106 P C 0.912 177.992 177.300 -0.368 0.000 1.233 106 P CA -0.167 62.753 63.100 -0.300 0.000 0.795 106 P CB 0.188 31.556 31.700 -0.553 0.000 0.936 107 G N -1.048 107.581 108.800 -0.285 0.000 3.126 107 G HA2 0.017 3.977 3.960 -0.000 0.000 0.224 107 G HA3 0.017 3.977 3.960 -0.000 0.000 0.224 107 G C -0.215 174.537 174.900 -0.246 0.000 1.142 107 G CA 0.055 45.023 45.100 -0.220 0.000 0.759 107 G HN 0.703 nan 8.290 nan 0.000 0.550 108 H N -0.307 118.623 119.070 -0.233 0.000 2.742 108 H HA 0.495 5.051 4.556 -0.000 0.000 0.302 108 H C -0.375 174.575 175.328 -0.631 0.000 1.069 108 H CA -1.010 54.834 56.048 -0.340 0.000 1.446 108 H CB 1.424 30.974 29.762 -0.353 0.000 1.462 108 H HN -0.014 nan 8.280 nan 0.000 0.499 109 V N 1.536 121.127 119.914 -0.539 0.000 2.260 109 V HA 0.230 4.350 4.120 -0.000 0.000 0.263 109 V C -0.447 175.762 176.094 0.191 0.000 1.036 109 V CA -0.710 61.093 62.300 -0.828 0.000 0.874 109 V CB 0.025 32.065 31.823 0.361 0.000 1.116 109 V HN 0.998 nan 8.190 nan 0.000 0.454 110 D N 0.753 116.751 120.400 -7.337 0.000 2.571 110 D HA 0.318 4.958 4.640 -0.000 0.000 0.239 110 D C 0.269 181.138 176.300 7.615 0.000 1.267 110 D CA -0.834 53.986 54.000 1.366 0.000 0.823 110 D CB -0.115 40.885 40.800 0.335 0.000 1.056 110 D HN 0.267 nan 8.370 nan 0.000 0.494 111 F N 0.554 125.531 119.950 8.378 0.000 3.080 111 F HA -0.293 4.234 4.527 -0.001 0.000 0.292 111 F C 0.718 176.888 175.800 0.616 0.000 0.891 111 F CA 0.506 59.839 58.000 2.222 0.000 1.086 111 F CB -2.122 36.926 39.000 0.079 0.000 1.095 111 F HN 0.221 nan 8.300 nan 0.000 0.633 112 S N -0.437 115.332 115.700 0.116 0.000 2.593 112 S HA 0.356 4.826 4.470 -0.000 0.000 0.269 112 S C 1.264 175.922 174.600 0.097 0.000 1.334 112 S CA -0.155 58.059 58.200 0.023 0.000 1.015 112 S CB 1.697 64.854 63.200 -0.073 0.000 0.912 112 S HN 0.525 nan 8.310 nan 0.000 0.541 113 S N 0.452 116.208 115.700 0.093 0.000 2.527 113 S HA -0.006 4.464 4.470 -0.000 0.000 0.222 113 S C 1.164 175.832 174.600 0.114 0.000 0.985 113 S CA 0.042 58.307 58.200 0.107 0.000 0.921 113 S CB -0.408 62.850 63.200 0.097 0.000 0.772 113 S HN 0.766 nan 8.310 nan 0.000 0.529 114 E N 1.773 122.051 120.200 0.130 0.000 2.107 114 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 114 E C 2.189 178.849 176.600 0.101 0.000 0.982 114 E CA 0.729 57.225 56.400 0.160 0.000 0.809 114 E CB -0.815 29.050 29.700 0.276 0.000 0.756 114 E HN 0.485 nan 8.360 nan 0.000 0.459 115 V N 1.675 121.603 119.914 0.023 0.000 2.323 115 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 115 V C 2.372 178.485 176.094 0.032 0.000 1.041 115 V CA 2.086 64.345 62.300 -0.068 0.000 1.025 115 V CB -0.969 30.748 31.823 -0.176 0.000 0.656 115 V HN 0.250 nan 8.190 nan 0.000 0.451 116 T N 0.573 115.173 114.554 0.078 0.000 2.737 116 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 116 T C 2.033 176.813 174.700 0.134 0.000 1.040 116 T CA 1.732 63.895 62.100 0.105 0.000 1.142 116 T CB -0.423 68.516 68.868 0.119 0.000 0.861 116 T HN 0.576 nan 8.240 nan 0.000 0.456 117 A N 1.313 124.233 122.820 0.166 0.000 1.902 117 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 117 A C 2.654 180.390 177.584 0.253 0.000 1.181 117 A CA 1.819 54.005 52.037 0.249 0.000 0.623 117 A CB -1.097 18.046 19.000 0.237 0.000 0.818 117 A HN 0.512 nan 8.150 nan 0.000 0.443 118 A N -0.325 122.605 122.820 0.183 0.000 1.902 118 A HA -0.016 4.303 4.320 -0.000 0.000 0.217 118 A C 2.157 179.835 177.584 0.157 0.000 1.181 118 A CA 1.483 53.626 52.037 0.178 0.000 0.623 118 A CB -0.581 18.464 19.000 0.075 0.000 0.818 118 A HN 0.469 nan 8.150 nan 0.000 0.443 119 L N -1.322 119.967 121.223 0.110 0.000 2.093 119 L HA -0.113 4.226 4.340 -0.000 0.000 0.208 119 L C 2.681 179.617 176.870 0.111 0.000 1.085 119 L CA 1.423 56.316 54.840 0.089 0.000 0.755 119 L CB -0.421 41.674 42.059 0.060 0.000 0.904 119 L HN 0.417 nan 8.230 nan 0.000 0.435 120 R N 0.480 121.059 120.500 0.132 0.000 2.139 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 120 R C 1.862 178.265 176.300 0.172 0.000 1.145 120 R CA 1.716 57.889 56.100 0.122 0.000 0.976 120 R CB -0.128 30.228 30.300 0.092 0.000 0.866 120 R HN 0.415 nan 8.270 nan 0.000 0.449 121 V N -1.747 118.281 119.914 0.189 0.000 3.633 121 V HA 0.164 4.283 4.120 -0.000 0.000 0.283 121 V C 0.475 176.620 176.094 0.085 0.000 1.305 121 V CA 0.380 62.760 62.300 0.133 0.000 1.153 121 V CB -0.438 31.455 31.823 0.117 0.000 0.950 121 V HN 0.308 nan 8.190 nan 0.000 0.432 122 T N -3.504 111.109 114.554 0.099 0.000 2.950 122 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 122 T C 0.046 174.786 174.700 0.067 0.000 1.035 122 T CA -0.208 61.935 62.100 0.072 0.000 1.028 122 T CB 2.358 71.269 68.868 0.071 0.000 1.109 122 T HN 0.188 nan 8.240 nan 0.000 0.514 123 D N -0.028 120.405 120.400 0.054 0.000 2.473 123 D HA 0.263 4.902 4.640 -0.000 0.000 0.242 123 D C 0.850 177.188 176.300 0.064 0.000 1.106 123 D CA 0.189 54.227 54.000 0.063 0.000 0.854 123 D CB 0.881 41.709 40.800 0.047 0.000 1.192 123 D HN 0.826 nan 8.370 nan 0.000 0.503 124 G N -0.053 108.773 108.800 0.044 0.000 2.642 124 G HA2 0.671 4.631 3.960 -0.000 0.000 0.293 124 G HA3 0.671 4.631 3.960 -0.000 0.000 0.293 124 G C -1.605 173.304 174.900 0.016 0.000 1.341 124 G CA -0.498 44.620 45.100 0.031 0.000 0.916 124 G HN 0.132 nan 8.290 nan 0.000 0.474 125 A N -0.164 122.655 122.820 -0.001 0.000 2.486 125 A HA 0.671 4.990 4.320 -0.000 0.000 0.300 125 A C -1.542 176.020 177.584 -0.038 0.000 1.048 125 A CA -0.614 51.413 52.037 -0.016 0.000 0.696 125 A CB 1.957 20.947 19.000 -0.017 0.000 1.278 125 A HN 1.490 nan 8.150 nan 0.000 0.405 126 L N 3.235 124.432 121.223 -0.044 0.000 2.264 126 L HA 0.592 4.932 4.340 -0.000 0.000 0.287 126 L C -0.874 175.955 176.870 -0.069 0.000 1.039 126 L CA -0.174 54.627 54.840 -0.066 0.000 0.829 126 L CB 0.876 42.898 42.059 -0.063 0.000 1.211 126 L HN 0.387 nan 8.230 nan 0.000 0.427 127 V N 6.130 125.993 119.914 -0.084 0.000 2.385 127 V HA 0.321 4.440 4.120 -0.000 0.000 0.269 127 V C 0.191 176.236 176.094 -0.081 0.000 1.043 127 V CA -0.630 61.626 62.300 -0.075 0.000 0.906 127 V CB 1.200 32.977 31.823 -0.078 0.000 0.995 127 V HN 0.500 nan 8.190 nan 0.000 0.467 128 V N 6.250 126.137 119.914 -0.046 0.000 2.432 128 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 128 V C 0.049 176.166 176.094 0.040 0.000 1.043 128 V CA -0.318 61.965 62.300 -0.029 0.000 0.925 128 V CB 1.525 33.348 31.823 0.000 0.000 0.985 128 V HN 0.623 nan 8.190 nan 0.000 0.466 129 V N 3.409 123.321 119.914 -0.004 0.000 2.735 129 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 129 V C -0.460 175.596 176.094 -0.064 0.000 1.061 129 V CA -0.814 61.508 62.300 0.037 0.000 0.913 129 V CB 2.239 34.052 31.823 -0.017 0.000 1.005 129 V HN 0.943 nan 8.190 nan 0.000 0.428 130 D N 2.183 122.459 120.400 -0.206 0.000 2.304 130 D HA 0.247 4.887 4.640 -0.000 0.000 0.250 130 D C 1.247 177.475 176.300 -0.120 0.000 1.107 130 D CA 0.252 54.044 54.000 -0.346 0.000 0.885 130 D CB 1.798 42.114 40.800 -0.805 0.000 1.192 130 D HN 0.602 nan 8.370 nan 0.000 0.436 131 T N 3.235 117.770 114.554 -0.031 0.000 2.635 131 T HA -0.168 4.181 4.350 -0.000 0.000 0.267 131 T C 1.817 176.541 174.700 0.040 0.000 1.040 131 T CA 1.155 63.319 62.100 0.107 0.000 1.156 131 T CB -0.170 68.792 68.868 0.157 0.000 0.863 131 T HN 0.439 nan 8.240 nan 0.000 0.430 132 I N 0.479 121.035 120.570 -0.024 0.000 2.188 132 I HA -0.057 4.112 4.170 -0.000 0.000 0.237 132 I C 2.581 178.673 176.117 -0.040 0.000 1.073 132 I CA 1.205 62.487 61.300 -0.029 0.000 1.359 132 I CB -0.402 37.578 38.000 -0.034 0.000 1.083 132 I HN 0.256 nan 8.210 nan 0.000 0.412 133 E N 0.983 121.132 120.200 -0.086 0.000 2.265 133 E HA -0.001 4.348 4.350 -0.000 0.000 0.196 133 E C 1.252 177.838 176.600 -0.024 0.000 0.996 133 E CA 0.573 56.937 56.400 -0.061 0.000 0.832 133 E CB -0.167 29.485 29.700 -0.080 0.000 0.756 133 E HN 0.604 nan 8.360 nan 0.000 0.491 134 G N 0.601 109.383 108.800 -0.029 0.000 2.569 134 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.259 134 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.259 134 G C -0.059 174.876 174.900 0.058 0.000 1.263 134 G CA -0.263 44.847 45.100 0.016 0.000 0.928 134 G HN 0.139 nan 8.290 nan 0.000 0.572 135 V N 0.640 120.586 119.914 0.052 0.000 2.455 135 V HA 0.419 4.539 4.120 -0.000 0.000 0.273 135 V C 0.983 177.113 176.094 0.060 0.000 1.045 135 V CA -0.116 62.222 62.300 0.063 0.000 0.976 135 V CB 0.170 32.016 31.823 0.037 0.000 0.993 135 V HN 0.892 nan 8.190 nan 0.000 0.475 136 C N 3.845 123.187 119.300 0.070 0.000 2.401 136 C HA 0.416 4.876 4.460 -0.000 0.000 0.356 136 C C 2.051 177.105 174.990 0.106 0.000 1.192 136 C CA -0.245 58.810 59.018 0.062 0.000 2.028 136 C CB 1.575 29.279 27.740 -0.059 0.000 2.344 136 C HN 0.849 nan 8.230 nan 0.000 0.525 137 V N 0.504 120.482 119.914 0.106 0.000 2.317 137 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 137 V C 1.968 178.067 176.094 0.009 0.000 1.065 137 V CA 2.204 64.544 62.300 0.067 0.000 1.049 137 V CB -1.232 30.639 31.823 0.080 0.000 0.651 137 V HN 0.976 nan 8.190 nan 0.000 0.450 138 Q N 0.170 120.008 119.800 0.063 0.000 2.096 138 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 138 Q C 2.431 178.378 176.000 -0.087 0.000 0.982 138 Q CA 2.551 58.299 55.803 -0.092 0.000 0.850 138 Q CB -0.317 28.171 28.738 -0.416 0.000 0.901 138 Q HN 0.832 nan 8.270 nan 0.000 0.422 139 T N 0.389 114.943 114.554 0.000 0.000 2.708 139 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 139 T C 1.566 176.229 174.700 -0.062 0.000 1.037 139 T CA 1.455 63.541 62.100 -0.023 0.000 1.146 139 T CB -0.228 68.656 68.868 0.026 0.000 0.865 139 T HN 0.400 nan 8.240 nan 0.000 0.435 140 E N 0.412 120.581 120.200 -0.053 0.000 2.110 140 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 140 E C 2.079 178.570 176.600 -0.181 0.000 0.988 140 E CA 1.263 57.621 56.400 -0.070 0.000 0.804 140 E CB -0.067 29.626 29.700 -0.012 0.000 0.745 140 E HN 0.378 nan 8.360 nan 0.000 0.458 141 T N 0.208 114.578 114.554 -0.307 0.000 2.708 141 T HA -0.110 4.239 4.350 -0.000 0.000 0.266 141 T C 1.870 176.245 174.700 -0.542 0.000 1.037 141 T CA 1.379 63.053 62.100 -0.709 0.000 1.146 141 T CB -0.065 68.129 68.868 -1.124 0.000 0.865 141 T HN 0.041 nan 8.240 nan 0.000 0.435 142 V N 1.415 121.172 119.914 -0.262 0.000 2.488 142 V HA -0.026 4.094 4.120 -0.000 0.000 0.246 142 V C 2.348 178.375 176.094 -0.113 0.000 1.046 142 V CA 0.921 63.139 62.300 -0.136 0.000 1.053 142 V CB -0.626 31.146 31.823 -0.085 0.000 0.679 142 V HN 0.307 nan 8.190 nan 0.000 0.458 143 L N 0.740 121.895 121.223 -0.113 0.000 2.046 143 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 143 L C 2.539 179.351 176.870 -0.097 0.000 1.077 143 L CA 2.105 56.896 54.840 -0.081 0.000 0.747 143 L CB -0.827 41.194 42.059 -0.064 0.000 0.896 143 L HN 0.220 nan 8.230 nan 0.000 0.432 144 R N -0.944 119.452 120.500 -0.173 0.000 2.073 144 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 144 R C 2.326 178.542 176.300 -0.140 0.000 1.134 144 R CA 1.989 57.914 56.100 -0.292 0.000 0.952 144 R CB -0.253 29.769 30.300 -0.465 0.000 0.850 144 R HN 0.560 nan 8.270 nan 0.000 0.433 145 Q N -0.460 119.307 119.800 -0.056 0.000 2.084 145 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 145 Q C 2.131 178.142 176.000 0.017 0.000 0.978 145 Q CA 1.619 57.442 55.803 0.034 0.000 0.844 145 Q CB -0.089 28.690 28.738 0.068 0.000 0.898 145 Q HN 0.457 nan 8.270 nan 0.000 0.426 146 A N 0.908 123.724 122.820 -0.006 0.000 1.865 146 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 146 A C 2.045 179.642 177.584 0.021 0.000 1.191 146 A CA 1.231 53.274 52.037 0.009 0.000 0.623 146 A CB -0.830 18.167 19.000 -0.006 0.000 0.826 146 A HN 0.323 nan 8.150 nan 0.000 0.444 147 L N -0.567 120.663 121.223 0.011 0.000 2.127 147 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 147 L C 2.672 179.571 176.870 0.049 0.000 1.089 147 L CA 0.984 55.846 54.840 0.036 0.000 0.757 147 L CB -0.739 41.355 42.059 0.058 0.000 0.899 147 L HN 0.516 nan 8.230 nan 0.000 0.434 148 G N -0.901 107.923 108.800 0.039 0.000 2.509 148 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.218 148 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.218 148 G C 1.249 176.177 174.900 0.048 0.000 1.124 148 G CA 0.241 45.369 45.100 0.047 0.000 0.776 148 G HN 0.271 nan 8.290 nan 0.000 0.547 149 E N 0.144 120.375 120.200 0.051 0.000 2.451 149 E HA 0.144 4.494 4.350 -0.000 0.000 0.194 149 E C 0.496 177.147 176.600 0.086 0.000 1.027 149 E CA -0.459 55.975 56.400 0.058 0.000 0.914 149 E CB 0.123 29.857 29.700 0.057 0.000 1.054 149 E HN 0.347 nan 8.360 nan 0.000 0.461 150 R N 0.500 121.052 120.500 0.087 0.000 3.416 150 R HA -0.179 4.161 4.340 -0.000 0.000 0.263 150 R C -0.200 176.183 176.300 0.139 0.000 1.053 150 R CA 0.399 56.569 56.100 0.117 0.000 0.705 150 R CB -2.066 28.356 30.300 0.204 0.000 1.124 150 R HN 0.213 nan 8.270 nan 0.000 0.444 151 I N 0.717 121.340 120.570 0.088 0.000 2.440 151 I HA 0.158 4.328 4.170 -0.000 0.000 0.294 151 I C 0.809 176.957 176.117 0.053 0.000 0.995 151 I CA -0.395 60.951 61.300 0.077 0.000 1.306 151 I CB 1.330 39.362 38.000 0.053 0.000 1.407 151 I HN 0.021 nan 8.210 nan 0.000 0.501 152 K N 7.920 128.352 120.400 0.054 0.000 2.201 152 K HA 0.453 4.772 4.320 -0.000 0.000 0.278 152 K C -2.530 174.071 176.600 0.002 0.000 1.027 152 K CA -1.515 54.789 56.287 0.027 0.000 0.909 152 K CB 1.224 33.750 32.500 0.044 0.000 1.062 152 K HN 0.244 nan 8.250 nan 0.000 0.465 153 P HA 0.287 nan 4.420 nan 0.000 0.290 153 P C -1.249 176.000 177.300 -0.084 0.000 1.283 153 P CA -0.668 62.400 63.100 -0.052 0.000 0.869 153 P CB 1.926 33.590 31.700 -0.060 0.000 1.100 154 V N 2.027 121.880 119.914 -0.102 0.000 2.851 154 V HA 0.289 4.409 4.120 -0.000 0.000 0.307 154 V C -0.324 175.670 176.094 -0.167 0.000 1.129 154 V CA -0.726 61.487 62.300 -0.143 0.000 0.932 154 V CB 2.698 34.458 31.823 -0.107 0.000 1.024 154 V HN 0.269 nan 8.190 nan 0.000 0.426 155 V N 5.045 124.820 119.914 -0.232 0.000 2.769 155 V HA 0.675 4.794 4.120 -0.000 0.000 0.312 155 V C -0.667 175.225 176.094 -0.337 0.000 1.058 155 V CA -0.574 61.570 62.300 -0.259 0.000 0.952 155 V CB 2.235 33.888 31.823 -0.284 0.000 1.019 155 V HN 0.582 nan 8.190 nan 0.000 0.445 156 V N 4.778 124.509 119.914 -0.305 0.000 2.482 156 V HA 0.445 4.564 4.120 -0.000 0.000 0.295 156 V C -0.361 175.538 176.094 -0.324 0.000 1.026 156 V CA -0.333 61.754 62.300 -0.355 0.000 0.856 156 V CB 1.715 33.388 31.823 -0.249 0.000 1.001 156 V HN 0.663 nan 8.190 nan 0.000 0.424 157 I N 4.593 124.898 120.570 -0.442 0.000 2.308 157 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 157 I C 0.410 176.416 176.117 -0.186 0.000 1.078 157 I CA 0.125 61.260 61.300 -0.274 0.000 1.292 157 I CB 0.635 38.447 38.000 -0.314 0.000 1.423 157 I HN 0.596 nan 8.210 nan 0.000 0.493 158 N N 4.653 123.272 118.700 -0.136 0.000 2.447 158 N HA 0.224 4.964 4.740 -0.000 0.000 0.271 158 N C 0.147 175.603 175.510 -0.091 0.000 1.226 158 N CA -0.310 52.661 53.050 -0.131 0.000 0.980 158 N CB 0.704 39.117 38.487 -0.123 0.000 1.206 158 N HN 0.294 nan 8.380 nan 0.000 0.558 159 K N -0.817 119.514 120.400 -0.114 0.000 3.160 159 K HA -0.139 4.181 4.320 -0.000 0.000 0.280 159 K C 0.670 177.259 176.600 -0.018 0.000 1.154 159 K CA 0.652 56.885 56.287 -0.091 0.000 0.822 159 K CB -1.862 30.581 32.500 -0.095 0.000 1.239 159 K HN 0.326 nan 8.250 nan 0.000 0.489 160 V N 0.164 120.091 119.914 0.023 0.000 2.469 160 V HA -0.330 3.789 4.120 -0.000 0.000 0.251 160 V C 2.066 178.256 176.094 0.159 0.000 1.064 160 V CA 2.348 64.749 62.300 0.167 0.000 1.066 160 V CB -0.572 31.419 31.823 0.279 0.000 0.667 160 V HN 0.679 nan 8.190 nan 0.000 0.461 161 D N -0.120 120.355 120.400 0.125 0.000 2.182 161 D HA -0.240 4.399 4.640 -0.000 0.000 0.201 161 D C 2.168 178.546 176.300 0.130 0.000 0.986 161 D CA 1.148 55.270 54.000 0.203 0.000 0.847 161 D CB -0.316 40.522 40.800 0.063 0.000 0.942 161 D HN 0.289 nan 8.370 nan 0.000 0.467 162 R N 0.244 120.776 120.500 0.054 0.000 2.081 162 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 162 R C 2.447 178.778 176.300 0.052 0.000 1.131 162 R CA 1.304 57.430 56.100 0.043 0.000 0.960 162 R CB -0.460 29.845 30.300 0.010 0.000 0.856 162 R HN 0.373 nan 8.270 nan 0.000 0.436 163 A N 0.877 123.729 122.820 0.052 0.000 2.015 163 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 163 A C 2.133 179.732 177.584 0.025 0.000 1.163 163 A CA 0.993 53.051 52.037 0.035 0.000 0.646 163 A CB -0.256 18.760 19.000 0.027 0.000 0.806 163 A HN 0.163 nan 8.150 nan 0.000 0.448 164 L N -1.625 119.613 121.223 0.024 0.000 2.168 164 L HA 0.001 4.341 4.340 -0.000 0.000 0.203 164 L C 2.261 179.163 176.870 0.052 0.000 1.078 164 L CA 0.287 55.103 54.840 -0.040 0.000 0.780 164 L CB -0.454 41.508 42.059 -0.162 0.000 0.939 164 L HN 0.235 nan 8.230 nan 0.000 0.451 165 L N -0.102 121.195 121.223 0.122 0.000 2.084 165 L HA -0.029 4.310 4.340 -0.000 0.000 0.202 165 L C 2.421 179.343 176.870 0.086 0.000 1.074 165 L CA 1.621 56.538 54.840 0.129 0.000 0.757 165 L CB -0.717 41.446 42.059 0.173 0.000 0.918 165 L HN 0.162 nan 8.230 nan 0.000 0.444 166 E N -0.756 119.488 120.200 0.072 0.000 2.014 166 E HA -0.120 4.229 4.350 -0.000 0.000 0.190 166 E C 1.914 178.540 176.600 0.044 0.000 0.980 166 E CA 0.701 57.133 56.400 0.054 0.000 0.807 166 E CB -0.178 29.549 29.700 0.045 0.000 0.770 166 E HN 0.121 nan 8.360 nan 0.000 0.451 167 L N 1.070 122.315 121.223 0.038 0.000 2.465 167 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 167 L C 0.629 177.520 176.870 0.035 0.000 1.145 167 L CA 1.106 55.965 54.840 0.031 0.000 0.834 167 L CB -0.609 41.464 42.059 0.024 0.000 0.944 167 L HN 0.164 nan 8.230 nan 0.000 0.451 168 Q N -1.559 118.264 119.800 0.039 0.000 2.422 168 Q HA -0.219 4.121 4.340 -0.000 0.000 0.245 168 Q C 0.279 176.312 176.000 0.056 0.000 0.922 168 Q CA 0.345 56.175 55.803 0.044 0.000 1.192 168 Q CB -2.240 26.526 28.738 0.047 0.000 1.641 168 Q HN 0.325 nan 8.270 nan 0.000 0.552 169 V N 1.378 121.322 119.914 0.050 0.000 3.083 169 V HA -0.047 4.073 4.120 -0.000 0.000 0.303 169 V C 1.164 177.332 176.094 0.123 0.000 1.151 169 V CA 0.989 63.326 62.300 0.061 0.000 1.275 169 V CB 0.963 32.807 31.823 0.035 0.000 0.950 169 V HN 0.451 nan 8.190 nan 0.000 0.506 170 S N 2.996 118.758 115.700 0.103 0.000 2.672 170 S HA 0.388 4.858 4.470 -0.000 0.000 0.276 170 S C 0.718 175.377 174.600 0.098 0.000 1.207 170 S CA -0.704 57.567 58.200 0.120 0.000 1.002 170 S CB 1.313 64.541 63.200 0.047 0.000 0.998 170 S HN 0.615 nan 8.310 nan 0.000 0.542 171 K N 0.591 120.970 120.400 -0.035 0.000 2.020 171 K HA -0.188 4.131 4.320 -0.000 0.000 0.212 171 K C 2.017 178.597 176.600 -0.033 0.000 1.050 171 K CA 1.953 58.129 56.287 -0.185 0.000 0.929 171 K CB -0.339 31.838 32.500 -0.539 0.000 0.714 171 K HN 0.750 nan 8.250 nan 0.000 0.443 172 E N 1.237 121.419 120.200 -0.030 0.000 2.204 172 E HA -0.168 4.181 4.350 -0.000 0.000 0.194 172 E C 1.307 177.956 176.600 0.082 0.000 0.989 172 E CA 1.416 57.841 56.400 0.040 0.000 0.824 172 E CB -0.038 29.666 29.700 0.007 0.000 0.756 172 E HN 0.201 nan 8.360 nan 0.000 0.477 173 D N -0.326 120.094 120.400 0.034 0.000 2.123 173 D HA -0.118 4.521 4.640 -0.000 0.000 0.200 173 D C 1.867 178.138 176.300 -0.047 0.000 0.976 173 D CA 0.574 54.580 54.000 0.010 0.000 0.831 173 D CB -0.251 40.554 40.800 0.008 0.000 0.974 173 D HN 0.211 nan 8.370 nan 0.000 0.469 174 L N 0.465 121.647 121.223 -0.069 0.000 2.017 174 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 174 L C 2.247 178.864 176.870 -0.422 0.000 1.073 174 L CA 1.509 56.178 54.840 -0.285 0.000 0.745 174 L CB -1.046 40.907 42.059 -0.178 0.000 0.894 174 L HN 0.010 nan 8.230 nan 0.000 0.432 175 Y N 0.219 120.406 120.300 -0.189 0.000 2.053 175 Y HA -0.329 4.220 4.550 -0.000 0.000 0.277 175 Y C 2.609 178.497 175.900 -0.019 0.000 1.159 175 Y CA 2.303 60.373 58.100 -0.051 0.000 1.125 175 Y CB -0.538 37.904 38.460 -0.030 0.000 0.969 175 Y HN 0.298 nan 8.280 nan 0.000 0.492 176 Q N -0.222 119.496 119.800 -0.137 0.000 2.112 176 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 176 Q C 2.241 178.154 176.000 -0.145 0.000 0.987 176 Q CA 2.347 58.049 55.803 -0.168 0.000 0.858 176 Q CB -1.051 27.685 28.738 -0.002 0.000 0.905 176 Q HN 0.567 nan 8.270 nan 0.000 0.420 177 T N 1.034 115.512 114.554 -0.125 0.000 2.708 177 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 177 T C 1.575 176.325 174.700 0.084 0.000 1.037 177 T CA 1.057 63.124 62.100 -0.055 0.000 1.146 177 T CB -0.282 68.522 68.868 -0.106 0.000 0.865 177 T HN 0.108 nan 8.240 nan 0.000 0.435 178 F N 1.882 121.834 119.950 0.002 0.000 2.095 178 F HA 0.029 4.555 4.527 -0.001 0.000 0.298 178 F C 2.747 178.567 175.800 0.034 0.000 1.104 178 F CA 0.274 58.332 58.000 0.097 0.000 1.232 178 F CB -1.499 37.633 39.000 0.221 0.000 0.987 178 F HN 0.161 nan 8.300 nan 0.000 0.475 179 A N -0.021 122.829 122.820 0.050 0.000 1.933 179 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 179 A C 2.395 179.997 177.584 0.030 0.000 1.175 179 A CA 1.423 53.455 52.037 -0.007 0.000 0.628 179 A CB -0.604 18.211 19.000 -0.308 0.000 0.814 179 A HN 0.311 nan 8.150 nan 0.000 0.444 180 R N -1.140 119.368 120.500 0.014 0.000 2.090 180 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 180 R C 2.149 178.472 176.300 0.037 0.000 1.110 180 R CA 1.634 57.748 56.100 0.024 0.000 0.973 180 R CB -0.609 29.701 30.300 0.016 0.000 0.869 180 R HN 0.498 nan 8.270 nan 0.000 0.440 181 T N 0.787 115.380 114.554 0.064 0.000 2.821 181 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 181 T C 1.950 176.656 174.700 0.010 0.000 1.046 181 T CA 1.048 63.177 62.100 0.049 0.000 1.139 181 T CB -0.044 68.873 68.868 0.083 0.000 0.871 181 T HN -0.010 nan 8.240 nan 0.000 0.454 182 V N 1.378 121.300 119.914 0.015 0.000 2.515 182 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 182 V C 2.679 178.748 176.094 -0.042 0.000 1.058 182 V CA 1.340 63.615 62.300 -0.042 0.000 1.064 182 V CB -0.418 31.392 31.823 -0.022 0.000 0.675 182 V HN 0.362 nan 8.190 nan 0.000 0.461 183 E N 0.335 120.534 120.200 -0.001 0.000 2.072 183 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 183 E C 2.494 179.090 176.600 -0.007 0.000 0.982 183 E CA 1.365 57.765 56.400 -0.001 0.000 0.803 183 E CB -0.139 29.575 29.700 0.022 0.000 0.755 183 E HN 0.572 nan 8.360 nan 0.000 0.453 184 S N 0.244 115.945 115.700 0.002 0.000 2.370 184 S HA -0.132 4.338 4.470 -0.000 0.000 0.226 184 S C 2.171 176.771 174.600 -0.000 0.000 1.033 184 S CA 1.206 59.412 58.200 0.009 0.000 1.011 184 S CB -0.231 62.979 63.200 0.017 0.000 0.852 184 S HN 0.081 nan 8.310 nan 0.000 0.457 185 V N 2.814 122.714 119.914 -0.023 0.000 2.358 185 V HA -0.111 4.008 4.120 -0.000 0.000 0.246 185 V C 1.803 177.868 176.094 -0.049 0.000 1.047 185 V CA 1.434 63.710 62.300 -0.040 0.000 1.035 185 V CB -0.665 31.112 31.823 -0.077 0.000 0.658 185 V HN 0.432 nan 8.190 nan 0.000 0.452 186 N N -0.205 118.450 118.700 -0.075 0.000 2.571 186 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 186 N C 1.442 176.926 175.510 -0.044 0.000 1.154 186 N CA 0.541 53.535 53.050 -0.092 0.000 0.907 186 N CB 0.288 38.685 38.487 -0.151 0.000 0.977 186 N HN 0.338 nan 8.380 nan 0.000 0.449 187 V N 0.671 120.575 119.914 -0.016 0.000 2.446 187 V HA 0.001 4.121 4.120 -0.000 0.000 0.244 187 V C 2.086 178.195 176.094 0.024 0.000 1.039 187 V CA 0.766 63.065 62.300 -0.000 0.000 1.045 187 V CB -0.033 31.797 31.823 0.012 0.000 0.681 187 V HN 0.161 nan 8.190 nan 0.000 0.459 188 I N -0.539 120.069 120.570 0.063 0.000 2.252 188 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 188 I C 2.328 178.551 176.117 0.176 0.000 1.102 188 I CA 1.093 62.492 61.300 0.166 0.000 1.385 188 I CB -0.332 37.746 38.000 0.131 0.000 1.064 188 I HN 0.135 nan 8.210 nan 0.000 0.414 189 V N 0.886 120.839 119.914 0.066 0.000 2.270 189 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 189 V C 2.643 178.750 176.094 0.022 0.000 1.043 189 V CA 2.265 64.589 62.300 0.040 0.000 1.014 189 V CB -0.852 30.954 31.823 -0.028 0.000 0.645 189 V HN 0.595 nan 8.190 nan 0.000 0.447 190 S N -0.746 114.945 115.700 -0.014 0.000 2.419 190 S HA -0.223 4.246 4.470 -0.000 0.000 0.235 190 S C 1.829 176.389 174.600 -0.066 0.000 1.019 190 S CA 1.954 60.135 58.200 -0.033 0.000 0.982 190 S CB -0.702 62.478 63.200 -0.033 0.000 0.789 190 S HN 0.593 nan 8.310 nan 0.000 0.490 191 T N 0.554 115.045 114.554 -0.104 0.000 2.851 191 T HA 0.109 4.459 4.350 -0.000 0.000 0.262 191 T C 0.947 175.407 174.700 -0.400 0.000 1.043 191 T CA 1.182 63.101 62.100 -0.302 0.000 1.140 191 T CB -0.320 68.254 68.868 -0.491 0.000 0.872 191 T HN 0.631 nan 8.240 nan 0.000 0.446 192 Y N 0.764 121.056 120.300 -0.014 0.000 2.458 192 Y HA 0.598 5.148 4.550 -0.000 0.000 0.254 192 Y C 1.189 177.080 175.900 -0.016 0.000 1.120 192 Y CA -0.968 57.125 58.100 -0.012 0.000 1.282 192 Y CB 0.074 38.534 38.460 0.000 0.000 1.109 192 Y HN 0.075 nan 8.280 nan 0.000 0.526 193 A N 0.532 123.411 122.820 0.099 0.000 2.401 193 A HA 0.191 4.511 4.320 -0.000 0.000 0.259 193 A C -0.566 177.023 177.584 0.008 0.000 1.103 193 A CA -0.515 51.548 52.037 0.044 0.000 0.789 193 A CB -0.165 18.843 19.000 0.013 0.000 1.035 193 A HN 0.208 nan 8.150 nan 0.000 0.491 194 D N 1.993 122.390 120.400 -0.004 0.000 2.434 194 D HA 0.176 4.816 4.640 -0.000 0.000 0.252 194 D C 1.086 177.358 176.300 -0.046 0.000 1.185 194 D CA 0.478 54.464 54.000 -0.024 0.000 0.886 194 D CB 0.673 41.454 40.800 -0.031 0.000 1.148 194 D HN 0.656 nan 8.370 nan 0.000 0.483 195 E N 1.156 121.334 120.200 -0.037 0.000 2.273 195 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 195 E C 1.671 178.241 176.600 -0.051 0.000 1.002 195 E CA 0.580 56.957 56.400 -0.038 0.000 0.828 195 E CB 0.105 29.787 29.700 -0.029 0.000 0.747 195 E HN 0.307 nan 8.360 nan 0.000 0.491 196 V N 0.811 120.687 119.914 -0.062 0.000 2.759 196 V HA -0.193 3.926 4.120 -0.000 0.000 0.256 196 V C 1.773 177.786 176.094 -0.134 0.000 1.080 196 V CA 1.059 63.313 62.300 -0.077 0.000 1.101 196 V CB -0.276 31.507 31.823 -0.066 0.000 0.698 196 V HN 0.210 nan 8.190 nan 0.000 0.477 197 L N 0.151 121.270 121.223 -0.174 0.000 2.478 197 L HA 0.376 4.716 4.340 -0.000 0.000 0.223 197 L C 1.474 178.267 176.870 -0.129 0.000 1.140 197 L CA 1.418 56.114 54.840 -0.239 0.000 0.842 197 L CB -1.224 40.681 42.059 -0.256 0.000 0.953 197 L HN 0.482 nan 8.230 nan 0.000 0.452 198 G N -0.702 108.051 108.800 -0.078 0.000 2.488 198 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.237 198 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.237 198 G C -0.513 174.376 174.900 -0.018 0.000 1.209 198 G CA -0.095 44.983 45.100 -0.037 0.000 0.929 198 G HN 0.160 nan 8.290 nan 0.000 0.578 199 D N 0.524 120.930 120.400 0.011 0.000 2.411 199 D HA 0.421 5.061 4.640 -0.000 0.000 0.225 199 D C 0.970 177.290 176.300 0.033 0.000 1.156 199 D CA 0.406 54.431 54.000 0.041 0.000 0.874 199 D CB 1.124 41.984 40.800 0.101 0.000 1.034 199 D HN 0.720 nan 8.370 nan 0.000 0.502 200 V N 4.250 124.161 119.914 -0.005 0.000 3.514 200 V HA 0.106 4.226 4.120 -0.000 0.000 0.301 200 V C 0.831 176.886 176.094 -0.064 0.000 1.346 200 V CA 0.139 62.425 62.300 -0.024 0.000 1.156 200 V CB -0.464 31.340 31.823 -0.032 0.000 1.029 200 V HN 0.501 nan 8.190 nan 0.000 0.428 201 Q N -0.023 119.721 119.800 -0.092 0.000 2.535 201 Q HA 0.283 4.623 4.340 -0.000 0.000 0.228 201 Q C -0.552 175.220 176.000 -0.379 0.000 1.062 201 Q CA 0.099 55.751 55.803 -0.252 0.000 0.967 201 Q CB 1.471 29.995 28.738 -0.357 0.000 1.273 201 Q HN 0.329 nan 8.270 nan 0.000 0.554 202 V N 1.567 121.179 119.914 -0.504 0.000 2.483 202 V HA 0.315 4.434 4.120 -0.000 0.000 0.295 202 V C -1.276 174.425 176.094 -0.655 0.000 1.035 202 V CA -0.550 61.475 62.300 -0.457 0.000 0.896 202 V CB 0.769 32.398 31.823 -0.323 0.000 0.986 202 V HN 0.554 nan 8.190 nan 0.000 0.447 203 Y N 4.742 124.913 120.300 -0.215 0.000 2.329 203 Y HA 0.378 4.928 4.550 -0.000 0.000 0.328 203 Y C -1.948 173.723 175.900 -0.383 0.000 0.992 203 Y CA -2.159 55.801 58.100 -0.234 0.000 1.151 203 Y CB 1.968 40.345 38.460 -0.139 0.000 1.150 203 Y HN 0.424 nan 8.280 nan 0.000 0.450 204 P HA -0.258 nan 4.420 nan 0.000 0.216 204 P C 1.329 178.349 177.300 -0.468 0.000 1.153 204 P CA 2.510 65.165 63.100 -0.742 0.000 0.858 204 P CB 0.343 30.971 31.700 -1.787 0.000 0.789 205 A N -0.264 122.306 122.820 -0.418 0.000 2.019 205 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 205 A C 2.011 179.594 177.584 -0.001 0.000 1.164 205 A CA 1.311 53.327 52.037 -0.035 0.000 0.644 205 A CB -0.912 18.174 19.000 0.143 0.000 0.805 205 A HN 0.150 nan 8.150 nan 0.000 0.449 206 R N -1.344 119.134 120.500 -0.036 0.000 2.310 206 R HA 0.228 4.567 4.340 -0.000 0.000 0.202 206 R C 1.137 177.396 176.300 -0.067 0.000 0.933 206 R CA 0.471 56.558 56.100 -0.022 0.000 1.054 206 R CB -0.064 30.227 30.300 -0.016 0.000 0.985 206 R HN 0.644 nan 8.270 nan 0.000 0.489 207 G N 1.205 109.952 108.800 -0.088 0.000 2.143 207 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.248 207 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.248 207 G C 0.679 175.413 174.900 -0.276 0.000 0.991 207 G CA 0.750 45.808 45.100 -0.069 0.000 0.689 207 G HN 0.435 nan 8.290 nan 0.000 0.522 208 T N -2.462 111.847 114.554 -0.409 0.000 3.186 208 T HA 0.584 4.934 4.350 -0.000 0.000 0.257 208 T C 0.240 174.720 174.700 -0.366 0.000 1.029 208 T CA 0.276 62.112 62.100 -0.440 0.000 0.916 208 T CB 1.091 69.690 68.868 -0.448 0.000 1.041 208 T HN 0.825 nan 8.240 nan 0.000 0.562 209 V N 1.058 120.730 119.914 -0.403 0.000 2.623 209 V HA 0.800 4.920 4.120 -0.000 0.000 0.304 209 V C -0.229 175.433 176.094 -0.720 0.000 1.054 209 V CA -1.248 60.696 62.300 -0.594 0.000 0.882 209 V CB 1.436 32.822 31.823 -0.728 0.000 1.002 209 V HN 0.587 nan 8.190 nan 0.000 0.424 210 A N 4.394 126.746 122.820 -0.781 0.000 2.330 210 A HA 1.015 5.335 4.320 -0.000 0.000 0.329 210 A C -1.282 175.647 177.584 -1.091 0.000 1.135 210 A CA -0.424 51.188 52.037 -0.709 0.000 0.817 210 A CB 1.135 19.898 19.000 -0.396 0.000 1.269 210 A HN 0.652 nan 8.150 nan 0.000 0.469 211 F N -0.034 119.562 119.950 -0.590 0.000 2.556 211 F HA 0.737 5.263 4.527 -0.000 0.000 0.314 211 F C 0.724 176.241 175.800 -0.472 0.000 1.106 211 F CA 0.342 57.996 58.000 -0.577 0.000 0.911 211 F CB 2.702 41.302 39.000 -0.667 0.000 1.190 211 F HN 1.040 nan 8.300 nan 0.000 0.448 212 G N 0.428 109.079 108.800 -0.249 0.000 2.356 212 G HA2 0.428 4.387 3.960 -0.000 0.000 0.281 212 G HA3 0.428 4.387 3.960 -0.000 0.000 0.281 212 G C -1.847 172.729 174.900 -0.540 0.000 1.246 212 G CA -0.692 44.059 45.100 -0.582 0.000 0.889 212 G HN 0.665 nan 8.290 nan 0.000 0.486 213 S N -0.715 114.541 115.700 -0.739 0.000 2.789 213 S HA 0.541 5.010 4.470 -0.000 0.000 0.286 213 S C 1.196 175.596 174.600 -0.333 0.000 1.153 213 S CA 0.763 58.688 58.200 -0.458 0.000 1.084 213 S CB 0.806 63.756 63.200 -0.418 0.000 1.036 213 S HN 1.765 nan 8.310 nan 0.000 0.484 214 G N 3.425 112.096 108.800 -0.216 0.000 2.448 214 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.219 214 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.219 214 G C 1.145 176.003 174.900 -0.070 0.000 1.127 214 G CA 0.947 45.969 45.100 -0.131 0.000 0.766 214 G HN 0.653 nan 8.290 nan 0.000 0.552 215 L N -0.473 120.702 121.223 -0.079 0.000 2.095 215 L HA 0.137 4.477 4.340 -0.000 0.000 0.204 215 L C 2.484 179.452 176.870 0.162 0.000 1.080 215 L CA 1.595 56.438 54.840 0.006 0.000 0.759 215 L CB -0.298 41.735 42.059 -0.044 0.000 0.914 215 L HN 0.164 nan 8.230 nan 0.000 0.439 216 H N -0.118 118.962 119.070 0.017 0.000 2.482 216 H HA 0.355 4.911 4.556 -0.000 0.000 0.286 216 H C 1.554 176.948 175.328 0.109 0.000 1.017 216 H CA 0.214 56.321 56.048 0.099 0.000 1.322 216 H CB -0.072 29.826 29.762 0.227 0.000 1.426 216 H HN 0.414 nan 8.280 nan 0.000 0.546 217 G N -0.532 108.356 108.800 0.148 0.000 2.145 217 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.176 217 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.176 217 G C -0.179 174.859 174.900 0.231 0.000 1.013 217 G CA 0.066 45.251 45.100 0.141 0.000 0.689 217 G HN 0.408 nan 8.290 nan 0.000 0.506 218 W N -0.748 120.635 121.300 0.139 0.000 2.936 218 W HA 0.862 5.522 4.660 -0.000 0.000 0.338 218 W C -0.315 176.291 176.519 0.145 0.000 1.121 218 W CA -1.349 56.085 57.345 0.148 0.000 1.209 218 W CB 1.438 31.021 29.460 0.206 0.000 1.420 218 W HN 1.125 nan 8.180 nan 0.000 0.516 219 A N 2.913 125.957 122.820 0.372 0.000 2.586 219 A HA 0.883 5.203 4.320 -0.000 0.000 0.291 219 A C -2.064 175.730 177.584 0.350 0.000 1.062 219 A CA -0.734 51.420 52.037 0.195 0.000 0.666 219 A CB 1.511 20.474 19.000 -0.060 0.000 1.281 219 A HN 1.210 nan 8.150 nan 0.000 0.421 220 F N -1.308 118.794 119.950 0.255 0.000 2.711 220 F HA 0.884 5.410 4.527 -0.000 0.000 0.313 220 F C -0.288 175.665 175.800 0.256 0.000 1.141 220 F CA -0.151 57.986 58.000 0.229 0.000 0.941 220 F CB 1.230 40.436 39.000 0.344 0.000 1.349 220 F HN 0.964 nan 8.300 nan 0.000 0.464 221 T N -0.711 114.132 114.554 0.481 0.000 2.924 221 T HA 0.482 4.832 4.350 -0.000 0.000 0.291 221 T C 0.629 175.688 174.700 0.599 0.000 1.045 221 T CA -0.811 61.508 62.100 0.365 0.000 1.015 221 T CB 1.609 70.580 68.868 0.170 0.000 1.103 221 T HN 0.652 nan 8.240 nan 0.000 0.496 222 I N 0.439 121.304 120.570 0.492 0.000 2.286 222 I HA -0.086 4.083 4.170 -0.000 0.000 0.248 222 I C 2.713 179.029 176.117 0.332 0.000 1.115 222 I CA 1.293 62.886 61.300 0.487 0.000 1.392 222 I CB -1.089 37.138 38.000 0.377 0.000 1.065 222 I HN 0.834 nan 8.210 nan 0.000 0.418 223 R N 1.147 121.782 120.500 0.225 0.000 2.096 223 R HA -0.236 4.104 4.340 -0.000 0.000 0.240 223 R C 2.294 178.648 176.300 0.089 0.000 1.139 223 R CA 1.853 58.034 56.100 0.135 0.000 0.952 223 R CB -0.118 30.244 30.300 0.103 0.000 0.854 223 R HN 0.463 nan 8.270 nan 0.000 0.436 224 Q N -0.954 118.895 119.800 0.082 0.000 2.124 224 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 224 Q C 1.966 177.851 176.000 -0.191 0.000 0.977 224 Q CA 1.686 57.452 55.803 -0.063 0.000 0.850 224 Q CB -0.117 28.557 28.738 -0.105 0.000 0.901 224 Q HN 0.340 nan 8.270 nan 0.000 0.429 225 F N 0.298 120.190 119.950 -0.096 0.000 2.259 225 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 225 F C 2.298 177.913 175.800 -0.309 0.000 1.088 225 F CA 0.909 58.720 58.000 -0.315 0.000 1.358 225 F CB -0.345 38.501 39.000 -0.256 0.000 1.040 225 F HN 0.046 nan 8.300 nan 0.000 0.505 226 A N -0.712 122.156 122.820 0.079 0.000 1.898 226 A HA -0.158 4.161 4.320 -0.000 0.000 0.216 226 A C 2.251 179.846 177.584 0.017 0.000 1.181 226 A CA 2.212 54.286 52.037 0.062 0.000 0.620 226 A CB -1.238 17.804 19.000 0.071 0.000 0.819 226 A HN 0.306 nan 8.150 nan 0.000 0.442 227 T N -0.816 113.728 114.554 -0.016 0.000 2.746 227 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 227 T C 2.085 176.764 174.700 -0.034 0.000 1.039 227 T CA 1.528 63.614 62.100 -0.022 0.000 1.142 227 T CB -0.226 68.619 68.868 -0.038 0.000 0.866 227 T HN 0.563 nan 8.240 nan 0.000 0.444 228 R N -0.371 120.055 120.500 -0.125 0.000 2.096 228 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 228 R C 1.546 177.873 176.300 0.045 0.000 1.127 228 R CA 1.475 57.491 56.100 -0.140 0.000 0.968 228 R CB -0.129 29.944 30.300 -0.379 0.000 0.861 228 R HN 0.411 nan 8.270 nan 0.000 0.440 229 Y N -0.806 119.567 120.300 0.121 0.000 2.478 229 Y HA 0.357 4.906 4.550 -0.000 0.000 0.261 229 Y C 1.907 177.902 175.900 0.159 0.000 1.127 229 Y CA -0.372 57.827 58.100 0.165 0.000 1.288 229 Y CB -0.360 38.212 38.460 0.187 0.000 1.084 229 Y HN 0.131 nan 8.280 nan 0.000 0.530 230 A N 0.867 123.808 122.820 0.202 0.000 1.835 230 A HA -0.200 4.119 4.320 -0.000 0.000 0.215 230 A C 2.084 179.742 177.584 0.123 0.000 1.199 230 A CA 1.593 53.704 52.037 0.123 0.000 0.615 230 A CB -0.572 18.461 19.000 0.055 0.000 0.838 230 A HN 0.278 nan 8.150 nan 0.000 0.444 231 K N -0.695 119.760 120.400 0.092 0.000 2.585 231 K HA -0.033 4.287 4.320 -0.000 0.000 0.194 231 K C 1.429 178.069 176.600 0.067 0.000 1.037 231 K CA 0.850 57.177 56.287 0.067 0.000 0.964 231 K CB -0.045 32.483 32.500 0.047 0.000 0.787 231 K HN 0.415 nan 8.250 nan 0.000 0.488 232 K N -1.344 119.117 120.400 0.101 0.000 2.399 232 K HA 0.101 4.421 4.320 -0.000 0.000 0.196 232 K C 0.784 177.337 176.600 -0.078 0.000 1.117 232 K CA 0.126 56.428 56.287 0.024 0.000 0.965 232 K CB 0.406 32.938 32.500 0.054 0.000 0.983 232 K HN -0.030 nan 8.250 nan 0.000 0.531 233 F N 0.597 120.533 119.950 -0.023 0.000 2.727 233 F HA 0.194 4.721 4.527 -0.000 0.000 0.302 233 F C 1.045 176.841 175.800 -0.007 0.000 1.097 233 F CA 0.445 58.420 58.000 -0.042 0.000 1.330 233 F CB 1.069 40.017 39.000 -0.086 0.000 1.084 233 F HN 0.154 nan 8.300 nan 0.000 0.578 234 G N 1.312 110.191 108.800 0.132 0.000 2.221 234 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.265 234 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.265 234 G C -0.384 174.565 174.900 0.083 0.000 1.041 234 G CA 0.313 45.467 45.100 0.089 0.000 0.807 234 G HN 0.203 nan 8.290 nan 0.000 0.502 235 V N 0.109 120.068 119.914 0.075 0.000 2.925 235 V HA 0.556 4.676 4.120 -0.000 0.000 0.311 235 V C 0.046 176.137 176.094 -0.004 0.000 1.104 235 V CA -0.575 61.731 62.300 0.010 0.000 0.954 235 V CB 2.190 33.974 31.823 -0.067 0.000 1.022 235 V HN 0.530 nan 8.190 nan 0.000 0.427 236 D N 1.851 122.239 120.400 -0.020 0.000 2.372 236 D HA 0.126 4.765 4.640 -0.000 0.000 0.243 236 D C 1.027 177.309 176.300 -0.030 0.000 1.121 236 D CA -0.468 53.523 54.000 -0.015 0.000 0.898 236 D CB 0.718 41.510 40.800 -0.014 0.000 1.202 236 D HN 0.689 nan 8.370 nan 0.000 0.428 237 K N 1.143 121.535 120.400 -0.012 0.000 2.280 237 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 237 K C 1.771 178.360 176.600 -0.020 0.000 1.047 237 K CA 0.997 57.276 56.287 -0.012 0.000 0.942 237 K CB -0.329 32.175 32.500 0.008 0.000 0.739 237 K HN 0.394 nan 8.250 nan 0.000 0.457 238 A N 2.092 124.900 122.820 -0.020 0.000 1.902 238 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 238 A C 2.187 179.746 177.584 -0.042 0.000 1.181 238 A CA 1.912 53.938 52.037 -0.018 0.000 0.623 238 A CB -0.409 18.582 19.000 -0.015 0.000 0.818 238 A HN 0.299 nan 8.150 nan 0.000 0.443 239 K N -1.088 119.268 120.400 -0.073 0.000 2.103 239 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 239 K C 1.926 178.408 176.600 -0.196 0.000 1.052 239 K CA 1.306 57.516 56.287 -0.128 0.000 0.945 239 K CB -0.303 32.107 32.500 -0.151 0.000 0.722 239 K HN 0.287 nan 8.250 nan 0.000 0.443 240 M N 0.761 120.250 119.600 -0.185 0.000 2.117 240 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 240 M C 2.034 178.276 176.300 -0.096 0.000 1.065 240 M CA 1.665 56.831 55.300 -0.222 0.000 1.114 240 M CB -0.846 31.672 32.600 -0.137 0.000 1.361 240 M HN 0.350 nan 8.290 nan 0.000 0.408 241 M N -2.102 117.493 119.600 -0.008 0.000 2.394 241 M HA -0.088 4.391 4.480 -0.000 0.000 0.264 241 M C 0.853 177.212 176.300 0.099 0.000 1.073 241 M CA 1.341 56.690 55.300 0.080 0.000 1.111 241 M CB -0.781 31.876 32.600 0.095 0.000 1.401 241 M HN 0.004 nan 8.290 nan 0.000 0.448 242 D N 1.614 122.033 120.400 0.031 0.000 2.194 242 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 242 D C 2.038 178.373 176.300 0.059 0.000 0.964 242 D CA 1.015 55.048 54.000 0.055 0.000 0.846 242 D CB -0.129 40.673 40.800 0.004 0.000 0.962 242 D HN 0.504 nan 8.370 nan 0.000 0.490 243 R N 0.049 120.521 120.500 -0.046 0.000 2.236 243 R HA 0.154 4.493 4.340 -0.000 0.000 0.208 243 R C 1.762 178.120 176.300 0.097 0.000 1.036 243 R CA 0.156 56.216 56.100 -0.066 0.000 1.001 243 R CB 0.157 30.161 30.300 -0.493 0.000 0.896 243 R HN 0.150 nan 8.270 nan 0.000 0.464 244 L N -0.072 121.248 121.223 0.160 0.000 2.611 244 L HA 0.159 4.498 4.340 -0.000 0.000 0.229 244 L C 0.157 177.323 176.870 0.493 0.000 1.137 244 L CA -0.148 54.879 54.840 0.311 0.000 0.901 244 L CB 0.070 42.314 42.059 0.308 0.000 1.098 244 L HN 0.258 nan 8.230 nan 0.000 0.456 245 W N -0.104 121.293 121.300 0.161 0.000 3.167 245 W HA 0.445 5.105 4.660 -0.000 0.000 0.324 245 W C 0.355 176.895 176.519 0.036 0.000 1.230 245 W CA 0.226 57.634 57.345 0.105 0.000 1.184 245 W CB 1.645 31.168 29.460 0.105 0.000 1.414 245 W HN 0.072 nan 8.180 nan 0.000 0.551 246 G N 3.368 111.410 108.800 -1.264 0.000 2.562 246 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.250 246 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.250 246 G C -0.438 174.178 174.900 -0.472 0.000 1.269 246 G CA 0.334 44.993 45.100 -0.735 0.000 0.919 246 G HN 0.496 nan 8.290 nan 0.000 0.574 247 D N 1.637 121.907 120.400 -0.216 0.000 2.688 247 D HA 0.487 5.126 4.640 -0.000 0.000 0.228 247 D C 0.019 176.277 176.300 -0.070 0.000 1.116 247 D CA 0.644 54.575 54.000 -0.114 0.000 1.023 247 D CB 0.289 41.202 40.800 0.188 0.000 1.100 247 D HN 0.412 nan 8.370 nan 0.000 0.487 248 S N 0.762 116.225 115.700 -0.395 0.000 2.561 248 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 248 S C -0.681 173.701 174.600 -0.362 0.000 1.110 248 S CA -0.615 57.544 58.200 -0.068 0.000 1.034 248 S CB 0.892 64.155 63.200 0.105 0.000 1.010 248 S HN 0.100 nan 8.310 nan 0.000 0.482 249 F N 2.388 122.446 119.950 0.181 0.000 2.551 249 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 249 F C -0.577 175.238 175.800 0.025 0.000 1.089 249 F CA -1.007 57.035 58.000 0.070 0.000 0.915 249 F CB 1.338 40.325 39.000 -0.022 0.000 1.186 249 F HN 0.510 nan 8.300 nan 0.000 0.456 250 F N 3.677 123.506 119.950 -0.203 0.000 2.403 250 F HA 0.422 4.948 4.527 -0.000 0.000 0.355 250 F C -0.424 175.202 175.800 -0.290 0.000 1.119 250 F CA -0.830 56.810 58.000 -0.599 0.000 1.007 250 F CB 0.609 38.965 39.000 -1.073 0.000 1.194 250 F HN 0.375 nan 8.300 nan 0.000 0.443 251 N N 8.217 126.474 118.700 -0.737 0.000 2.406 251 N HA 0.246 4.986 4.740 -0.000 0.000 0.251 251 N C -2.073 172.932 175.510 -0.842 0.000 1.069 251 N CA -2.071 50.642 53.050 -0.561 0.000 0.947 251 N CB 1.654 39.927 38.487 -0.357 0.000 1.111 251 N HN 0.335 nan 8.380 nan 0.000 0.497 252 P HA -0.091 nan 4.420 nan 0.000 0.218 252 P C 0.769 177.909 177.300 -0.266 0.000 1.148 252 P CA 1.369 64.252 63.100 -0.362 0.000 0.822 252 P CB 0.431 32.075 31.700 -0.094 0.000 0.784 253 K N -0.936 119.324 120.400 -0.233 0.000 2.097 253 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 253 K C 1.958 178.463 176.600 -0.158 0.000 1.050 253 K CA 2.014 58.207 56.287 -0.157 0.000 0.938 253 K CB -0.670 31.752 32.500 -0.130 0.000 0.718 253 K HN 0.306 nan 8.250 nan 0.000 0.442 254 T N -2.235 112.186 114.554 -0.222 0.000 3.037 254 T HA 0.114 4.464 4.350 -0.000 0.000 0.251 254 T C 0.538 175.128 174.700 -0.184 0.000 1.079 254 T CA -0.175 61.822 62.100 -0.171 0.000 1.067 254 T CB 0.264 69.038 68.868 -0.157 0.000 0.948 254 T HN -0.050 nan 8.240 nan 0.000 0.496 255 K N 0.435 120.617 120.400 -0.362 0.000 3.281 255 K HA -0.110 4.210 4.320 -0.000 0.000 0.295 255 K C -0.475 176.026 176.600 -0.165 0.000 1.233 255 K CA 0.807 56.916 56.287 -0.297 0.000 0.866 255 K CB -1.890 30.632 32.500 0.036 0.000 1.265 255 K HN 0.577 nan 8.250 nan 0.000 0.482 256 K N -0.590 119.609 120.400 -0.336 0.000 2.267 256 K HA 0.462 4.782 4.320 -0.000 0.000 0.246 256 K C -0.422 176.123 176.600 -0.093 0.000 0.954 256 K CA -0.763 55.499 56.287 -0.041 0.000 0.824 256 K CB 0.969 33.483 32.500 0.024 0.000 1.167 256 K HN -0.058 nan 8.250 nan 0.000 0.431 257 W N 1.017 122.437 121.300 0.200 0.000 2.361 257 W HA 0.359 5.019 4.660 -0.001 0.000 0.309 257 W C 0.513 177.117 176.519 0.142 0.000 1.122 257 W CA -0.160 57.319 57.345 0.222 0.000 1.208 257 W CB 1.682 31.265 29.460 0.205 0.000 1.246 257 W HN 0.407 nan 8.180 nan 0.000 0.490 258 T N 1.381 116.143 114.554 0.348 0.000 2.838 258 T HA 0.325 4.674 4.350 -0.000 0.000 0.292 258 T C 0.264 175.164 174.700 0.333 0.000 1.113 258 T CA -0.719 61.530 62.100 0.248 0.000 1.008 258 T CB 1.113 70.048 68.868 0.112 0.000 1.259 258 T HN 0.391 nan 8.240 nan 0.000 0.520 259 N N 0.924 119.764 118.700 0.234 0.000 2.187 259 N HA 0.204 4.943 4.740 -0.000 0.000 0.212 259 N C -0.489 175.111 175.510 0.151 0.000 1.152 259 N CA -0.035 53.184 53.050 0.282 0.000 0.872 259 N CB 0.633 39.226 38.487 0.178 0.000 1.025 259 N HN 0.418 nan 8.380 nan 0.000 0.514 260 K N 1.468 121.832 120.400 -0.061 0.000 2.211 260 K HA 0.077 4.397 4.320 -0.000 0.000 0.275 260 K C -0.025 176.067 176.600 -0.847 0.000 1.024 260 K CA -0.418 55.693 56.287 -0.293 0.000 0.887 260 K CB 1.125 33.513 32.500 -0.187 0.000 1.084 260 K HN 0.036 nan 8.250 nan 0.000 0.463 261 D N 0.787 120.597 120.400 -0.984 0.000 2.338 261 D HA -0.076 4.564 4.640 -0.000 0.000 0.239 261 D C 0.114 176.039 176.300 -0.625 0.000 1.095 261 D CA 0.052 53.258 54.000 -1.324 0.000 0.888 261 D CB 0.029 40.421 40.800 -0.680 0.000 0.899 261 D HN 0.425 nan 8.370 nan 0.000 0.525 262 T N -3.172 111.118 114.554 -0.440 0.000 2.883 262 T HA 0.487 4.837 4.350 -0.000 0.000 0.301 262 T C -0.735 173.840 174.700 -0.209 0.000 1.158 262 T CA -1.044 60.901 62.100 -0.258 0.000 1.007 262 T CB 2.325 71.087 68.868 -0.177 0.000 1.186 262 T HN 0.020 nan 8.240 nan 0.000 0.499 263 D N 0.824 121.131 120.400 -0.155 0.000 2.506 263 D HA 0.590 5.230 4.640 -0.000 0.000 0.272 263 D C 1.815 178.057 176.300 -0.098 0.000 1.214 263 D CA -0.324 53.601 54.000 -0.125 0.000 1.067 263 D CB 0.049 40.780 40.800 -0.115 0.000 1.117 263 D HN 0.701 nan 8.370 nan 0.000 0.578 264 A N -0.258 122.514 122.820 -0.080 0.000 1.892 264 A HA -0.250 4.069 4.320 -0.000 0.000 0.218 264 A C 1.845 179.394 177.584 -0.059 0.000 1.188 264 A CA 1.934 53.933 52.037 -0.063 0.000 0.631 264 A CB -1.011 17.958 19.000 -0.052 0.000 0.822 264 A HN 0.595 nan 8.150 nan 0.000 0.447 265 E N -1.470 118.694 120.200 -0.061 0.000 2.409 265 E HA 0.231 4.581 4.350 -0.000 0.000 0.198 265 E C 1.348 177.913 176.600 -0.058 0.000 1.024 265 E CA 0.907 57.274 56.400 -0.054 0.000 0.861 265 E CB -0.345 29.323 29.700 -0.053 0.000 0.788 265 E HN 0.897 nan 8.360 nan 0.000 0.521 266 G N 0.443 109.201 108.800 -0.071 0.000 2.157 266 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.239 266 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.239 266 G C 0.036 174.887 174.900 -0.082 0.000 0.982 266 G CA 0.105 45.160 45.100 -0.076 0.000 0.650 266 G HN 0.256 nan 8.290 nan 0.000 0.527 267 K N 0.977 121.327 120.400 -0.083 0.000 2.295 267 K HA 0.397 4.717 4.320 -0.000 0.000 0.270 267 K C -2.476 174.063 176.600 -0.103 0.000 1.011 267 K CA -1.560 54.678 56.287 -0.082 0.000 0.953 267 K CB 0.631 33.085 32.500 -0.076 0.000 0.956 267 K HN 0.028 nan 8.250 nan 0.000 0.477 268 P HA 0.029 nan 4.420 nan 0.000 0.266 268 P C -0.884 176.357 177.300 -0.098 0.000 1.215 268 P CA 0.288 63.328 63.100 -0.100 0.000 0.763 268 P CB 0.421 32.079 31.700 -0.070 0.000 0.806 269 L N 2.829 123.977 121.223 -0.126 0.000 2.295 269 L HA 0.366 4.706 4.340 -0.000 0.000 0.285 269 L C 0.934 177.880 176.870 0.127 0.000 1.035 269 L CA -0.720 54.088 54.840 -0.053 0.000 0.806 269 L CB 1.353 43.333 42.059 -0.131 0.000 1.214 269 L HN 0.353 nan 8.230 nan 0.000 0.426 270 E N 4.455 124.703 120.200 0.080 0.000 2.259 270 E HA 0.092 4.441 4.350 -0.000 0.000 0.281 270 E C -0.041 176.579 176.600 0.034 0.000 1.037 270 E CA -0.695 55.724 56.400 0.031 0.000 0.854 270 E CB 0.899 30.535 29.700 -0.108 0.000 1.051 270 E HN 0.405 nan 8.360 nan 0.000 0.409 271 R N 3.496 123.920 120.500 -0.127 0.000 2.537 271 R HA -0.066 4.274 4.340 -0.000 0.000 0.281 271 R C 0.777 176.858 176.300 -0.365 0.000 0.988 271 R CA 0.723 56.475 56.100 -0.579 0.000 1.077 271 R CB 0.517 30.457 30.300 -0.599 0.000 0.932 271 R HN 0.746 nan 8.270 nan 0.000 0.409 272 A N 5.534 128.175 122.820 -0.298 0.000 1.948 272 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 272 A C 1.768 179.390 177.584 0.062 0.000 1.177 272 A CA 1.564 53.620 52.037 0.030 0.000 0.636 272 A CB -0.660 18.543 19.000 0.338 0.000 0.815 272 A HN 0.907 nan 8.150 nan 0.000 0.449 273 F N 1.451 121.308 119.950 -0.154 0.000 2.134 273 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 273 F C 1.918 177.627 175.800 -0.152 0.000 1.097 273 F CA 2.149 60.092 58.000 -0.094 0.000 1.264 273 F CB -0.312 38.602 39.000 -0.143 0.000 1.001 273 F HN 0.245 nan 8.300 nan 0.000 0.479 274 N N 0.028 118.592 118.700 -0.228 0.000 2.142 274 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 274 N C 1.982 177.252 175.510 -0.399 0.000 1.023 274 N CA 1.679 54.526 53.050 -0.337 0.000 0.852 274 N CB -0.556 37.767 38.487 -0.274 0.000 0.998 274 N HN 0.412 nan 8.380 nan 0.000 0.424 275 M N -1.152 118.204 119.600 -0.406 0.000 2.200 275 M HA -0.008 4.471 4.480 -0.000 0.000 0.265 275 M C 0.509 176.423 176.300 -0.643 0.000 1.066 275 M CA 1.507 56.467 55.300 -0.567 0.000 1.127 275 M CB 0.112 32.263 32.600 -0.748 0.000 1.379 275 M HN 0.001 nan 8.290 nan 0.000 0.420 276 F N -1.044 118.794 119.950 -0.186 0.000 2.694 276 F HA 0.258 4.785 4.527 -0.000 0.000 0.292 276 F C 1.640 177.334 175.800 -0.176 0.000 1.121 276 F CA 0.302 58.215 58.000 -0.143 0.000 1.352 276 F CB 0.097 39.040 39.000 -0.095 0.000 1.107 276 F HN 0.033 nan 8.300 nan 0.000 0.597 277 I N -1.292 119.064 120.570 -0.358 0.000 3.194 277 I HA -0.047 4.122 4.170 -0.000 0.000 0.271 277 I C 1.905 177.639 176.117 -0.638 0.000 1.150 277 I CA 0.464 61.232 61.300 -0.887 0.000 1.440 277 I CB -0.027 37.164 38.000 -1.348 0.000 1.276 277 I HN -0.061 nan 8.210 nan 0.000 0.457 278 L N 0.508 121.381 121.223 -0.585 0.000 2.044 278 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 278 L C 2.114 178.909 176.870 -0.124 0.000 1.075 278 L CA 1.553 56.218 54.840 -0.292 0.000 0.747 278 L CB -0.574 41.249 42.059 -0.393 0.000 0.903 278 L HN 0.246 nan 8.230 nan 0.000 0.435 279 D N -0.007 120.242 120.400 -0.253 0.000 2.116 279 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 279 D C -0.694 175.620 176.300 0.023 0.000 0.998 279 D CA 1.551 55.461 54.000 -0.150 0.000 0.836 279 D CB -0.611 40.068 40.800 -0.201 0.000 0.951 279 D HN 0.110 nan 8.370 nan 0.000 0.449 280 P HA -0.095 nan 4.420 nan 0.000 0.216 280 P C 1.395 178.781 177.300 0.143 0.000 1.150 280 P CA 1.044 64.205 63.100 0.103 0.000 0.837 280 P CB 0.023 31.846 31.700 0.205 0.000 0.786 281 I N -2.614 118.066 120.570 0.184 0.000 2.202 281 I HA -0.222 3.947 4.170 -0.000 0.000 0.242 281 I C 2.062 178.243 176.117 0.106 0.000 1.091 281 I CA 1.297 62.694 61.300 0.161 0.000 1.368 281 I CB -0.583 37.452 38.000 0.057 0.000 1.058 281 I HN -0.149 nan 8.210 nan 0.000 0.410 282 F N 1.284 121.172 119.950 -0.103 0.000 2.126 282 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 282 F C 2.705 178.517 175.800 0.020 0.000 1.096 282 F CA 1.518 59.467 58.000 -0.086 0.000 1.255 282 F CB -0.608 38.342 39.000 -0.084 0.000 0.997 282 F HN -0.091 nan 8.300 nan 0.000 0.479 283 R N -0.190 120.431 120.500 0.201 0.000 2.096 283 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 283 R C 2.251 178.605 176.300 0.090 0.000 1.127 283 R CA 1.147 57.316 56.100 0.114 0.000 0.968 283 R CB -0.622 29.716 30.300 0.063 0.000 0.861 283 R HN 0.328 nan 8.270 nan 0.000 0.440 284 L N -0.549 120.740 121.223 0.109 0.000 2.027 284 L HA -0.168 4.171 4.340 -0.000 0.000 0.206 284 L C 2.148 179.080 176.870 0.104 0.000 1.074 284 L CA 1.442 56.326 54.840 0.073 0.000 0.745 284 L CB -0.379 41.724 42.059 0.073 0.000 0.898 284 L HN 0.140 nan 8.230 nan 0.000 0.433 285 F N -0.078 119.816 119.950 -0.094 0.000 2.051 285 F HA -0.275 4.251 4.527 -0.001 0.000 0.296 285 F C 2.696 178.437 175.800 -0.100 0.000 1.122 285 F CA 1.767 59.700 58.000 -0.111 0.000 1.201 285 F CB -0.606 38.306 39.000 -0.147 0.000 0.978 285 F HN 0.012 nan 8.300 nan 0.000 0.472 286 T N -0.145 114.494 114.554 0.142 0.000 2.720 286 T HA -0.245 4.104 4.350 -0.000 0.000 0.268 286 T C 2.064 176.766 174.700 0.003 0.000 1.037 286 T CA 1.299 63.438 62.100 0.064 0.000 1.144 286 T CB -0.592 68.324 68.868 0.080 0.000 0.864 286 T HN 0.340 nan 8.240 nan 0.000 0.444 287 A N 0.836 123.651 122.820 -0.008 0.000 1.897 287 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 287 A C 2.292 179.804 177.584 -0.120 0.000 1.181 287 A CA 0.936 52.947 52.037 -0.043 0.000 0.620 287 A CB -0.593 18.388 19.000 -0.031 0.000 0.821 287 A HN 0.505 nan 8.150 nan 0.000 0.443 288 I N -0.645 119.826 120.570 -0.166 0.000 2.286 288 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 288 I C 2.250 178.075 176.117 -0.486 0.000 1.104 288 I CA 0.983 62.111 61.300 -0.285 0.000 1.397 288 I CB -0.269 37.571 38.000 -0.267 0.000 1.072 288 I HN 0.232 nan 8.210 nan 0.000 0.417 289 M N -0.026 119.352 119.600 -0.370 0.000 2.476 289 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 289 M C 1.048 177.124 176.300 -0.373 0.000 1.079 289 M CA 1.229 56.289 55.300 -0.399 0.000 1.104 289 M CB -1.026 31.469 32.600 -0.176 0.000 1.409 289 M HN 0.240 nan 8.290 nan 0.000 0.467 290 N N -0.296 118.263 118.700 -0.235 0.000 2.214 290 N HA 0.110 4.850 4.740 -0.000 0.000 0.214 290 N C -0.359 175.228 175.510 0.128 0.000 1.132 290 N CA -0.010 53.047 53.050 0.011 0.000 0.856 290 N CB 0.280 38.792 38.487 0.042 0.000 1.020 290 N HN 0.209 nan 8.380 nan 0.000 0.509 291 F N 0.459 120.404 119.950 -0.008 0.000 3.100 291 F HA -0.262 4.264 4.527 -0.001 0.000 0.283 291 F C 0.221 176.016 175.800 -0.007 0.000 0.900 291 F CA 0.475 58.469 58.000 -0.010 0.000 1.010 291 F CB -2.155 36.840 39.000 -0.009 0.000 1.029 291 F HN -0.079 nan 8.300 nan 0.000 0.637 292 K N 1.417 121.852 120.400 0.059 0.000 2.199 292 K HA 0.019 4.339 4.320 -0.000 0.000 0.226 292 K C 1.352 177.971 176.600 0.032 0.000 1.237 292 K CA 0.144 56.459 56.287 0.047 0.000 1.170 292 K CB -0.065 32.446 32.500 0.020 0.000 1.418 292 K HN 0.517 nan 8.250 nan 0.000 0.255 293 K N -0.206 120.228 120.400 0.057 0.000 2.520 293 K HA -0.173 4.147 4.320 -0.000 0.000 0.197 293 K C 0.134 176.746 176.600 0.020 0.000 1.044 293 K CA 1.269 57.580 56.287 0.041 0.000 0.938 293 K CB 0.184 32.719 32.500 0.059 0.000 0.767 293 K HN 0.227 nan 8.250 nan 0.000 0.481 294 D N 0.828 121.239 120.400 0.017 0.000 2.407 294 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 294 D C 0.917 177.218 176.300 0.002 0.000 1.083 294 D CA 0.346 54.352 54.000 0.009 0.000 0.844 294 D CB 0.561 41.368 40.800 0.011 0.000 0.967 294 D HN 0.417 nan 8.370 nan 0.000 0.506 295 E N -0.045 120.155 120.200 0.000 0.000 2.389 295 E HA 0.162 4.512 4.350 -0.000 0.000 0.199 295 E C 1.966 178.555 176.600 -0.019 0.000 0.978 295 E CA -0.055 56.340 56.400 -0.007 0.000 0.912 295 E CB 0.841 30.539 29.700 -0.003 0.000 0.907 295 E HN 0.175 nan 8.360 nan 0.000 0.494 296 I N 1.556 122.112 120.570 -0.023 0.000 2.233 296 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 296 I C -0.805 175.288 176.117 -0.039 0.000 1.093 296 I CA 0.881 62.158 61.300 -0.039 0.000 1.380 296 I CB -1.080 36.893 38.000 -0.046 0.000 1.067 296 I HN 0.014 nan 8.210 nan 0.000 0.413 297 P HA -0.125 nan 4.420 nan 0.000 0.215 297 P C 1.970 179.253 177.300 -0.028 0.000 1.153 297 P CA 1.218 64.302 63.100 -0.025 0.000 0.853 297 P CB 0.058 31.749 31.700 -0.015 0.000 0.788 298 V N -0.654 119.246 119.914 -0.025 0.000 2.270 298 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 298 V C 2.382 178.455 176.094 -0.035 0.000 1.043 298 V CA 1.488 63.773 62.300 -0.024 0.000 1.014 298 V CB -1.275 30.538 31.823 -0.018 0.000 0.645 298 V HN 0.036 nan 8.190 nan 0.000 0.447 299 L N -0.537 120.661 121.223 -0.042 0.000 2.013 299 L HA -0.184 4.155 4.340 -0.000 0.000 0.212 299 L C 2.183 178.999 176.870 -0.091 0.000 1.073 299 L CA 1.959 56.764 54.840 -0.059 0.000 0.753 299 L CB -0.700 41.324 42.059 -0.058 0.000 0.890 299 L HN 0.187 nan 8.230 nan 0.000 0.432 300 L N -0.662 120.508 121.223 -0.088 0.000 2.083 300 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 300 L C 2.539 179.361 176.870 -0.079 0.000 1.083 300 L CA 1.729 56.507 54.840 -0.103 0.000 0.752 300 L CB -0.882 41.130 42.059 -0.077 0.000 0.899 300 L HN 0.419 nan 8.230 nan 0.000 0.433 301 E N -0.256 119.913 120.200 -0.052 0.000 2.047 301 E HA -0.231 4.118 4.350 -0.000 0.000 0.191 301 E C 2.111 178.691 176.600 -0.032 0.000 0.987 301 E CA 1.127 57.506 56.400 -0.034 0.000 0.799 301 E CB 0.088 29.774 29.700 -0.023 0.000 0.752 301 E HN 0.389 nan 8.360 nan 0.000 0.449 302 K N 0.041 120.419 120.400 -0.036 0.000 2.097 302 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 302 K C 1.898 178.485 176.600 -0.022 0.000 1.049 302 K CA 0.955 57.228 56.287 -0.023 0.000 0.933 302 K CB -0.029 32.459 32.500 -0.021 0.000 0.717 302 K HN 0.245 nan 8.250 nan 0.000 0.442 303 L N 0.903 122.081 121.223 -0.075 0.000 2.591 303 L HA 0.040 4.380 4.340 -0.000 0.000 0.228 303 L C -0.320 176.513 176.870 -0.063 0.000 1.133 303 L CA 0.126 54.899 54.840 -0.113 0.000 0.880 303 L CB -0.273 41.560 42.059 -0.377 0.000 1.033 303 L HN 0.222 nan 8.230 nan 0.000 0.450 304 E N 0.954 121.133 120.200 -0.035 0.000 2.320 304 E HA -0.207 4.143 4.350 -0.000 0.000 0.234 304 E C -0.377 176.218 176.600 -0.009 0.000 1.183 304 E CA 0.158 56.553 56.400 -0.008 0.000 0.713 304 E CB -1.074 28.638 29.700 0.021 0.000 1.226 304 E HN 0.264 nan 8.360 nan 0.000 0.382 305 I N 1.237 121.783 120.570 -0.040 0.000 2.377 305 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 305 I C 0.711 176.818 176.117 -0.016 0.000 0.987 305 I CA -0.846 60.439 61.300 -0.026 0.000 1.185 305 I CB 1.401 39.359 38.000 -0.071 0.000 1.341 305 I HN -0.023 nan 8.210 nan 0.000 0.455 306 V N 5.493 125.408 119.914 0.002 0.000 2.378 306 V HA 0.560 4.680 4.120 -0.000 0.000 0.288 306 V C -0.311 175.785 176.094 0.004 0.000 1.016 306 V CA -0.777 61.524 62.300 0.001 0.000 0.840 306 V CB 1.481 33.309 31.823 0.007 0.000 0.994 306 V HN 0.474 nan 8.190 nan 0.000 0.431 307 L N 5.587 126.809 121.223 -0.002 0.000 2.305 307 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 307 L C 0.352 177.224 176.870 0.003 0.000 1.085 307 L CA -0.374 54.466 54.840 -0.000 0.000 0.813 307 L CB 1.291 43.346 42.059 -0.007 0.000 1.157 307 L HN 0.874 nan 8.230 nan 0.000 0.436 308 K N 2.113 122.517 120.400 0.006 0.000 2.378 308 K HA 0.786 5.105 4.320 -0.000 0.000 0.252 308 K C 0.295 176.899 176.600 0.007 0.000 0.931 308 K CA -0.267 56.024 56.287 0.007 0.000 0.794 308 K CB 2.155 34.661 32.500 0.009 0.000 1.181 308 K HN 0.640 nan 8.250 nan 0.000 0.425 309 G N 3.215 112.019 108.800 0.006 0.000 2.574 309 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.286 309 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.286 309 G C 0.247 175.150 174.900 0.006 0.000 1.212 309 G CA 0.644 45.747 45.100 0.006 0.000 0.979 309 G HN 0.762 nan 8.290 nan 0.000 0.557 310 D N 1.334 121.738 120.400 0.006 0.000 2.315 310 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 310 D C 2.333 178.637 176.300 0.006 0.000 0.977 310 D CA 1.523 55.526 54.000 0.006 0.000 0.894 310 D CB -0.234 40.570 40.800 0.007 0.000 0.910 310 D HN 0.730 nan 8.370 nan 0.000 0.490 311 E N 0.628 120.831 120.200 0.005 0.000 2.110 311 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 311 E C 1.776 178.377 176.600 0.000 0.000 0.988 311 E CA 0.719 57.121 56.400 0.003 0.000 0.804 311 E CB -0.089 29.613 29.700 0.003 0.000 0.745 311 E HN 0.310 nan 8.360 nan 0.000 0.458 312 K N 0.749 121.150 120.400 0.002 0.000 2.286 312 K HA -0.167 4.153 4.320 -0.000 0.000 0.203 312 K C 1.172 177.775 176.600 0.005 0.000 1.045 312 K CA 1.185 57.473 56.287 0.001 0.000 0.935 312 K CB 0.012 32.513 32.500 0.002 0.000 0.737 312 K HN 0.150 nan 8.250 nan 0.000 0.460 313 D N 0.420 120.825 120.400 0.008 0.000 2.327 313 D HA 0.040 4.679 4.640 -0.000 0.000 0.205 313 D C 0.724 177.037 176.300 0.021 0.000 0.989 313 D CA 0.236 54.245 54.000 0.015 0.000 0.873 313 D CB 0.130 40.938 40.800 0.013 0.000 0.955 313 D HN 0.097 nan 8.370 nan 0.000 0.515 314 L N 1.189 122.420 121.223 0.014 0.000 2.492 314 L HA 0.069 4.409 4.340 -0.000 0.000 0.280 314 L C 0.772 177.657 176.870 0.024 0.000 1.240 314 L CA 0.701 55.550 54.840 0.015 0.000 0.831 314 L CB 0.318 42.374 42.059 -0.005 0.000 1.100 314 L HN -0.131 nan 8.230 nan 0.000 0.505 315 E N -0.296 119.931 120.200 0.045 0.000 2.458 315 E HA 0.529 4.879 4.350 -0.000 0.000 0.278 315 E C 0.003 176.604 176.600 0.001 0.000 1.004 315 E CA -0.416 56.026 56.400 0.071 0.000 0.823 315 E CB 1.677 31.560 29.700 0.305 0.000 1.396 315 E HN 0.722 nan 8.360 nan 0.000 0.463 316 G N 1.125 109.788 108.800 -0.228 0.000 2.581 316 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.291 316 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.291 316 G C 0.592 175.366 174.900 -0.210 0.000 1.277 316 G CA 0.779 45.702 45.100 -0.295 0.000 0.959 316 G HN 0.579 nan 8.290 nan 0.000 0.554 317 K N 0.200 120.512 120.400 -0.147 0.000 2.074 317 K HA -0.059 4.260 4.320 -0.000 0.000 0.209 317 K C 3.116 179.622 176.600 -0.157 0.000 1.048 317 K CA 2.052 58.233 56.287 -0.177 0.000 0.926 317 K CB -0.442 31.980 32.500 -0.130 0.000 0.713 317 K HN 0.732 nan 8.250 nan 0.000 0.444 318 A N 1.488 124.254 122.820 -0.089 0.000 1.883 318 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 318 A C 2.142 179.682 177.584 -0.073 0.000 1.186 318 A CA 1.472 53.472 52.037 -0.063 0.000 0.624 318 A CB -0.573 18.414 19.000 -0.022 0.000 0.822 318 A HN 0.259 nan 8.150 nan 0.000 0.444 319 L N -0.982 120.189 121.223 -0.087 0.000 2.056 319 L HA -0.058 4.281 4.340 -0.000 0.000 0.207 319 L C 2.245 179.040 176.870 -0.127 0.000 1.078 319 L CA 1.944 56.729 54.840 -0.091 0.000 0.749 319 L CB -0.673 41.326 42.059 -0.100 0.000 0.901 319 L HN 0.354 nan 8.230 nan 0.000 0.433 320 L N -0.073 121.032 121.223 -0.197 0.000 1.970 320 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 320 L C 2.526 179.283 176.870 -0.189 0.000 1.071 320 L CA 2.012 56.689 54.840 -0.271 0.000 0.751 320 L CB -0.737 41.062 42.059 -0.434 0.000 0.889 320 L HN 0.256 nan 8.230 nan 0.000 0.432 321 K N -1.170 119.134 120.400 -0.160 0.000 2.044 321 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 321 K C 1.920 178.525 176.600 0.010 0.000 1.049 321 K CA 1.886 58.136 56.287 -0.061 0.000 0.927 321 K CB -0.548 31.902 32.500 -0.083 0.000 0.713 321 K HN 0.284 nan 8.250 nan 0.000 0.443 322 V N 0.853 120.757 119.914 -0.015 0.000 2.427 322 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 322 V C 2.224 178.332 176.094 0.023 0.000 1.051 322 V CA 1.340 63.647 62.300 0.012 0.000 1.048 322 V CB -0.154 31.668 31.823 -0.003 0.000 0.666 322 V HN 0.109 nan 8.190 nan 0.000 0.456 323 V N -0.623 119.286 119.914 -0.009 0.000 2.379 323 V HA -0.222 3.897 4.120 -0.000 0.000 0.245 323 V C 2.435 178.572 176.094 0.072 0.000 1.044 323 V CA 1.672 63.974 62.300 0.003 0.000 1.036 323 V CB -0.441 31.348 31.823 -0.056 0.000 0.664 323 V HN 0.410 nan 8.190 nan 0.000 0.453 324 M N -0.660 118.972 119.600 0.053 0.000 2.229 324 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 324 M C 2.279 178.711 176.300 0.221 0.000 1.063 324 M CA 1.526 56.884 55.300 0.097 0.000 1.114 324 M CB -1.075 31.441 32.600 -0.140 0.000 1.387 324 M HN 0.290 nan 8.290 nan 0.000 0.420 325 R N 0.178 120.800 120.500 0.203 0.000 2.092 325 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 325 R C 2.218 178.615 176.300 0.161 0.000 1.119 325 R CA 1.132 57.352 56.100 0.200 0.000 0.970 325 R CB -0.095 30.294 30.300 0.148 0.000 0.864 325 R HN 0.380 nan 8.270 nan 0.000 0.440 326 K N -0.441 120.047 120.400 0.146 0.000 2.116 326 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 326 K C 1.802 178.518 176.600 0.194 0.000 1.052 326 K CA 0.898 57.265 56.287 0.134 0.000 0.952 326 K CB -0.121 32.439 32.500 0.100 0.000 0.729 326 K HN 0.039 nan 8.250 nan 0.000 0.446 327 F N 1.095 121.063 119.950 0.030 0.000 2.146 327 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 327 F C 0.442 176.257 175.800 0.025 0.000 1.096 327 F CA 1.071 59.079 58.000 0.013 0.000 1.275 327 F CB 0.231 39.231 39.000 0.001 0.000 1.008 327 F HN -0.185 nan 8.300 nan 0.000 0.480 328 L N 1.283 122.502 121.223 -0.007 0.000 2.448 328 L HA 0.310 4.650 4.340 -0.000 0.000 0.257 328 L C -2.621 174.341 176.870 0.153 0.000 1.504 328 L CA -1.800 53.005 54.840 -0.057 0.000 0.852 328 L CB 1.131 43.113 42.059 -0.129 0.000 1.051 328 L HN -0.202 nan 8.230 nan 0.000 0.518 329 P HA -0.016 nan 4.420 nan 0.000 0.260 329 P C 0.813 178.185 177.300 0.119 0.000 1.185 329 P CA 0.317 63.492 63.100 0.126 0.000 0.763 329 P CB 1.245 32.993 31.700 0.080 0.000 0.776 330 A N 5.792 128.678 122.820 0.111 0.000 1.849 330 A HA -0.251 4.068 4.320 -0.000 0.000 0.217 330 A C 2.232 179.821 177.584 0.008 0.000 1.202 330 A CA 2.491 54.545 52.037 0.028 0.000 0.629 330 A CB -1.726 17.255 19.000 -0.031 0.000 0.834 330 A HN 0.508 nan 8.150 nan 0.000 0.447 331 A N -0.180 122.647 122.820 0.013 0.000 1.940 331 A HA -0.337 3.982 4.320 -0.000 0.000 0.221 331 A C 1.727 179.312 177.584 0.002 0.000 1.190 331 A CA 2.509 54.549 52.037 0.004 0.000 0.647 331 A CB -0.993 18.018 19.000 0.018 0.000 0.821 331 A HN 0.540 nan 8.150 nan 0.000 0.457 332 D N -0.329 120.082 120.400 0.018 0.000 2.123 332 D HA -0.052 4.587 4.640 -0.000 0.000 0.196 332 D C 2.252 178.552 176.300 0.000 0.000 0.992 332 D CA 1.634 55.641 54.000 0.012 0.000 0.833 332 D CB -0.457 40.357 40.800 0.023 0.000 0.954 332 D HN 0.481 nan 8.370 nan 0.000 0.455 333 A N 0.456 123.281 122.820 0.007 0.000 1.873 333 A HA -0.112 4.207 4.320 -0.000 0.000 0.215 333 A C 2.366 179.924 177.584 -0.043 0.000 1.186 333 A CA 0.988 53.022 52.037 -0.006 0.000 0.616 333 A CB -0.779 18.214 19.000 -0.011 0.000 0.823 333 A HN 0.212 nan 8.150 nan 0.000 0.442 334 L N -0.670 120.520 121.223 -0.056 0.000 2.017 334 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 334 L C 2.577 179.414 176.870 -0.056 0.000 1.073 334 L CA 1.201 56.000 54.840 -0.068 0.000 0.745 334 L CB -0.793 41.227 42.059 -0.066 0.000 0.894 334 L HN 0.336 nan 8.230 nan 0.000 0.432 335 L N -0.246 120.949 121.223 -0.047 0.000 2.079 335 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 335 L C 2.685 179.500 176.870 -0.090 0.000 1.081 335 L CA 1.252 56.056 54.840 -0.059 0.000 0.752 335 L CB -0.530 41.504 42.059 -0.043 0.000 0.896 335 L HN 0.363 nan 8.230 nan 0.000 0.433 336 E N 0.357 120.515 120.200 -0.070 0.000 2.051 336 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 336 E C 2.328 178.888 176.600 -0.067 0.000 0.991 336 E CA 1.363 57.715 56.400 -0.079 0.000 0.799 336 E CB -0.017 29.662 29.700 -0.034 0.000 0.748 336 E HN 0.460 nan 8.360 nan 0.000 0.449 337 M N 0.119 119.710 119.600 -0.016 0.000 2.175 337 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 337 M C 2.303 178.609 176.300 0.010 0.000 1.063 337 M CA 1.038 56.382 55.300 0.072 0.000 1.119 337 M CB -0.166 32.435 32.600 0.002 0.000 1.377 337 M HN 0.175 nan 8.290 nan 0.000 0.415 338 I N -0.471 120.065 120.570 -0.056 0.000 2.142 338 I HA -0.255 3.914 4.170 -0.000 0.000 0.240 338 I C 2.339 178.373 176.117 -0.139 0.000 1.078 338 I CA 1.168 62.424 61.300 -0.073 0.000 1.343 338 I CB -0.395 37.564 38.000 -0.068 0.000 1.046 338 I HN 0.046 nan 8.210 nan 0.000 0.405 339 V N 0.918 120.686 119.914 -0.243 0.000 2.307 339 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 339 V C 2.294 178.131 176.094 -0.429 0.000 1.045 339 V CA 1.658 63.682 62.300 -0.459 0.000 1.024 339 V CB -0.442 30.951 31.823 -0.716 0.000 0.651 339 V HN 0.356 nan 8.190 nan 0.000 0.449 340 L N -1.058 119.931 121.223 -0.390 0.000 2.217 340 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 340 L C 2.399 178.904 176.870 -0.609 0.000 1.107 340 L CA 1.211 55.748 54.840 -0.504 0.000 0.783 340 L CB -0.507 41.190 42.059 -0.604 0.000 0.919 340 L HN 0.482 nan 8.230 nan 0.000 0.442 341 H N -1.396 117.616 119.070 -0.098 0.000 2.657 341 H HA 0.290 4.846 4.556 -0.000 0.000 0.262 341 H C 0.848 176.148 175.328 -0.046 0.000 0.965 341 H CA -0.274 55.736 56.048 -0.063 0.000 1.184 341 H CB 0.545 30.269 29.762 -0.062 0.000 1.443 341 H HN 0.115 nan 8.280 nan 0.000 0.462 342 L N 4.711 125.961 121.223 0.044 0.000 2.426 342 L HA 0.135 4.475 4.340 -0.000 0.000 0.271 342 L C -1.904 174.977 176.870 0.019 0.000 1.169 342 L CA -1.611 53.246 54.840 0.028 0.000 0.836 342 L CB 0.394 42.456 42.059 0.005 0.000 1.112 342 L HN -0.041 nan 8.230 nan 0.000 0.465 343 P HA 0.086 nan 4.420 nan 0.000 0.274 343 P C -0.542 176.780 177.300 0.036 0.000 1.231 343 P CA -0.424 62.708 63.100 0.052 0.000 0.790 343 P CB 1.352 33.109 31.700 0.095 0.000 0.951 344 S N 2.333 118.054 115.700 0.035 0.000 2.607 344 S HA 0.380 4.850 4.470 -0.000 0.000 0.272 344 S C -1.811 172.796 174.600 0.011 0.000 1.166 344 S CA -0.972 57.247 58.200 0.032 0.000 1.021 344 S CB -0.364 62.863 63.200 0.044 0.000 1.113 344 S HN 0.249 nan 8.310 nan 0.000 0.531 345 P HA 0.186 nan 4.420 nan 0.000 0.220 345 P C 1.590 178.856 177.300 -0.057 0.000 1.154 345 P CA 0.238 63.308 63.100 -0.050 0.000 0.837 345 P CB -0.135 31.523 31.700 -0.069 0.000 0.815 346 V N -0.111 119.779 119.914 -0.040 0.000 2.287 346 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 346 V C 2.255 178.316 176.094 -0.055 0.000 1.053 346 V CA 2.628 64.906 62.300 -0.038 0.000 1.027 346 V CB -1.742 30.070 31.823 -0.018 0.000 0.646 346 V HN 0.190 nan 8.190 nan 0.000 0.447 347 T N 0.213 114.742 114.554 -0.042 0.000 2.737 347 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 347 T C 2.040 176.622 174.700 -0.196 0.000 1.038 347 T CA 1.677 63.759 62.100 -0.029 0.000 1.144 347 T CB -0.405 68.490 68.868 0.045 0.000 0.866 347 T HN 0.565 nan 8.240 nan 0.000 0.434 348 A N 1.432 124.087 122.820 -0.275 0.000 1.897 348 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 348 A C 2.208 179.354 177.584 -0.730 0.000 1.181 348 A CA 1.121 52.749 52.037 -0.682 0.000 0.620 348 A CB -0.608 18.245 19.000 -0.245 0.000 0.821 348 A HN 0.534 nan 8.150 nan 0.000 0.443 349 Q N -0.421 119.199 119.800 -0.300 0.000 2.439 349 Q HA -0.056 4.284 4.340 -0.000 0.000 0.211 349 Q C 2.132 178.017 176.000 -0.193 0.000 0.978 349 Q CA 0.813 56.518 55.803 -0.163 0.000 0.897 349 Q CB -0.356 28.382 28.738 -0.000 0.000 0.956 349 Q HN 0.704 nan 8.270 nan 0.000 0.483 350 A N 0.864 123.531 122.820 -0.255 0.000 1.968 350 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 350 A C 1.493 179.044 177.584 -0.055 0.000 1.169 350 A CA 1.061 53.025 52.037 -0.121 0.000 0.638 350 A CB -0.385 18.583 19.000 -0.055 0.000 0.812 350 A HN 0.590 nan 8.150 nan 0.000 0.446 351 Y N -3.618 116.693 120.300 0.017 0.000 2.481 351 Y HA 0.588 5.138 4.550 -0.000 0.000 0.247 351 Y C 1.606 177.509 175.900 0.006 0.000 1.151 351 Y CA -0.314 57.793 58.100 0.011 0.000 1.238 351 Y CB -0.131 38.337 38.460 0.013 0.000 1.179 351 Y HN 0.085 nan 8.280 nan 0.000 0.524 352 R N 0.144 120.616 120.500 -0.046 0.000 2.307 352 R HA 0.369 4.709 4.340 -0.000 0.000 0.200 352 R C 2.244 178.516 176.300 -0.047 0.000 0.893 352 R CA 0.738 56.842 56.100 0.006 0.000 1.042 352 R CB 0.081 30.349 30.300 -0.053 0.000 1.059 352 R HN 0.359 nan 8.270 nan 0.000 0.530 353 A N 1.677 124.460 122.820 -0.063 0.000 1.881 353 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 353 A C 1.755 179.326 177.584 -0.022 0.000 1.215 353 A CA 1.987 53.983 52.037 -0.069 0.000 0.648 353 A CB -0.525 18.444 19.000 -0.052 0.000 0.832 353 A HN 0.407 nan 8.150 nan 0.000 0.455 354 E N -0.653 119.554 120.200 0.013 0.000 2.085 354 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 354 E C 2.368 178.974 176.600 0.010 0.000 0.994 354 E CA 1.431 57.851 56.400 0.034 0.000 0.801 354 E CB -0.255 29.463 29.700 0.029 0.000 0.743 354 E HN 0.767 nan 8.360 nan 0.000 0.453 355 Q N 0.529 120.324 119.800 -0.009 0.000 2.016 355 Q HA -0.127 4.212 4.340 -0.000 0.000 0.200 355 Q C 2.484 178.443 176.000 -0.067 0.000 0.978 355 Q CA 1.024 56.809 55.803 -0.030 0.000 0.833 355 Q CB -0.208 28.518 28.738 -0.020 0.000 0.895 355 Q HN 0.306 nan 8.270 nan 0.000 0.427 356 L N -0.450 120.703 121.223 -0.117 0.000 2.129 356 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 356 L C 0.832 177.645 176.870 -0.097 0.000 1.087 356 L CA 0.685 55.391 54.840 -0.224 0.000 0.757 356 L CB -0.230 41.562 42.059 -0.443 0.000 0.896 356 L HN 0.197 nan 8.230 nan 0.000 0.434 357 Y N 0.705 120.899 120.300 -0.177 0.000 2.335 357 Y HA 0.146 4.696 4.550 -0.000 0.000 0.339 357 Y C 1.241 177.086 175.900 -0.091 0.000 0.987 357 Y CA -1.070 56.959 58.100 -0.119 0.000 1.140 357 Y CB 0.734 39.133 38.460 -0.101 0.000 1.173 357 Y HN -0.036 nan 8.280 nan 0.000 0.486 358 E N 3.318 123.231 120.200 -0.479 0.000 2.106 358 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 358 E C 1.256 177.396 176.600 -0.768 0.000 0.984 358 E CA 0.821 56.946 56.400 -0.459 0.000 0.806 358 E CB -0.235 29.301 29.700 -0.274 0.000 0.750 358 E HN 0.906 nan 8.360 nan 0.000 0.458 359 G N 2.282 110.212 108.800 -1.450 0.000 2.518 359 G HA2 0.027 3.987 3.960 -0.000 0.000 0.284 359 G HA3 0.027 3.987 3.960 -0.000 0.000 0.284 359 G C -2.276 172.351 174.900 -0.455 0.000 1.362 359 G CA -0.689 43.688 45.100 -1.206 0.000 1.065 359 G HN 0.038 nan 8.290 nan 0.000 0.561 360 P HA 0.301 nan 4.420 nan 0.000 0.271 360 P C 0.369 177.737 177.300 0.112 0.000 1.216 360 P CA 0.335 63.441 63.100 0.011 0.000 0.771 360 P CB 1.299 33.031 31.700 0.054 0.000 0.864 361 A N 3.067 125.922 122.820 0.059 0.000 2.067 361 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 361 A C 1.370 178.988 177.584 0.058 0.000 1.158 361 A CA 1.842 53.920 52.037 0.069 0.000 0.661 361 A CB -1.087 17.933 19.000 0.033 0.000 0.801 361 A HN 0.673 nan 8.150 nan 0.000 0.452 362 D N -0.914 119.517 120.400 0.051 0.000 2.360 362 D HA 0.100 4.739 4.640 -0.000 0.000 0.210 362 D C 0.484 176.812 176.300 0.046 0.000 1.047 362 D CA 0.111 54.134 54.000 0.038 0.000 0.854 362 D CB -0.336 40.481 40.800 0.029 0.000 0.936 362 D HN 0.413 nan 8.370 nan 0.000 0.514 363 D N -0.278 120.171 120.400 0.083 0.000 2.449 363 D HA 0.156 4.795 4.640 -0.000 0.000 0.236 363 D C 1.539 177.859 176.300 0.033 0.000 1.149 363 D CA 0.462 54.524 54.000 0.103 0.000 0.878 363 D CB 1.077 42.029 40.800 0.253 0.000 1.198 363 D HN 0.098 nan 8.370 nan 0.000 0.446 364 A N 3.344 126.179 122.820 0.025 0.000 1.972 364 A HA -0.232 4.087 4.320 -0.000 0.000 0.219 364 A C 1.809 179.350 177.584 -0.071 0.000 1.169 364 A CA 1.734 53.763 52.037 -0.013 0.000 0.635 364 A CB -0.631 18.370 19.000 0.003 0.000 0.810 364 A HN 0.774 nan 8.150 nan 0.000 0.446 365 N N -1.108 117.517 118.700 -0.125 0.000 2.250 365 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 365 N C 1.603 176.829 175.510 -0.474 0.000 1.017 365 N CA 1.123 53.998 53.050 -0.292 0.000 0.866 365 N CB -0.590 37.681 38.487 -0.359 0.000 0.985 365 N HN 0.532 nan 8.380 nan 0.000 0.429 366 C N 0.724 119.723 119.300 -0.501 0.000 2.432 366 C HA 0.013 4.473 4.460 -0.000 0.000 0.277 366 C C 2.316 177.204 174.990 -0.169 0.000 1.249 366 C CA 0.494 59.295 59.018 -0.362 0.000 1.725 366 C CB -1.124 26.594 27.740 -0.036 0.000 2.028 366 C HN 0.338 nan 8.230 nan 0.000 0.477 367 I N 1.794 122.302 120.570 -0.104 0.000 2.208 367 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 367 I C 2.880 178.957 176.117 -0.067 0.000 1.097 367 I CA 1.966 63.229 61.300 -0.060 0.000 1.363 367 I CB -1.849 36.130 38.000 -0.035 0.000 1.051 367 I HN 0.416 nan 8.210 nan 0.000 0.413 368 A N 0.916 123.684 122.820 -0.087 0.000 2.019 368 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 368 A C 2.201 179.750 177.584 -0.058 0.000 1.164 368 A CA 1.161 53.158 52.037 -0.067 0.000 0.644 368 A CB -0.454 18.503 19.000 -0.071 0.000 0.805 368 A HN 0.293 nan 8.150 nan 0.000 0.449 369 I N -0.029 120.485 120.570 -0.093 0.000 2.233 369 I HA -0.160 4.010 4.170 -0.000 0.000 0.243 369 I C 2.132 178.231 176.117 -0.030 0.000 1.093 369 I CA 1.300 62.570 61.300 -0.051 0.000 1.380 369 I CB -1.285 36.636 38.000 -0.133 0.000 1.067 369 I HN 0.352 nan 8.210 nan 0.000 0.413 370 K N 0.974 121.342 120.400 -0.052 0.000 2.103 370 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 370 K C 1.393 177.973 176.600 -0.032 0.000 1.048 370 K CA 1.238 57.501 56.287 -0.041 0.000 0.930 370 K CB -0.206 32.276 32.500 -0.031 0.000 0.716 370 K HN 0.371 nan 8.250 nan 0.000 0.444 371 N N 0.369 119.053 118.700 -0.027 0.000 2.336 371 N HA -0.036 4.704 4.740 -0.000 0.000 0.189 371 N C 0.353 175.851 175.510 -0.019 0.000 1.113 371 N CA 0.255 53.292 53.050 -0.022 0.000 0.858 371 N CB -0.054 38.422 38.487 -0.020 0.000 0.970 371 N HN 0.175 nan 8.380 nan 0.000 0.471 372 C N 2.294 121.587 119.300 -0.012 0.000 4.028 372 C HA -0.204 4.255 4.460 -0.000 0.000 0.300 372 C C -0.063 174.918 174.990 -0.015 0.000 1.399 372 C CA -0.528 58.487 59.018 -0.006 0.000 2.051 372 C CB -2.384 25.345 27.740 -0.017 0.000 1.318 372 C HN 0.344 nan 8.230 nan 0.000 0.696 373 D N 1.686 122.077 120.400 -0.016 0.000 2.338 373 D HA 0.251 4.890 4.640 -0.000 0.000 0.255 373 D C -0.347 175.942 176.300 -0.018 0.000 1.237 373 D CA -1.756 52.233 54.000 -0.019 0.000 0.883 373 D CB 1.126 41.913 40.800 -0.021 0.000 1.087 373 D HN 0.437 nan 8.370 nan 0.000 0.485 374 P HA -0.017 nan 4.420 nan 0.000 0.236 374 P C 0.491 177.779 177.300 -0.019 0.000 1.177 374 P CA 0.508 63.595 63.100 -0.021 0.000 0.773 374 P CB 0.492 32.178 31.700 -0.024 0.000 0.878 375 K N -0.666 119.723 120.400 -0.018 0.000 2.367 375 K HA 0.279 4.599 4.320 -0.000 0.000 0.194 375 K C 1.278 177.869 176.600 -0.015 0.000 1.027 375 K CA -0.194 56.084 56.287 -0.016 0.000 1.075 375 K CB 0.381 32.872 32.500 -0.015 0.000 0.845 375 K HN 0.066 nan 8.250 nan 0.000 0.529 376 A N 1.430 124.240 122.820 -0.017 0.000 2.251 376 A HA 0.108 4.428 4.320 -0.000 0.000 0.278 376 A C -0.085 177.489 177.584 -0.017 0.000 1.206 376 A CA -0.383 51.643 52.037 -0.019 0.000 0.822 376 A CB 0.190 19.174 19.000 -0.027 0.000 1.187 376 A HN 0.044 nan 8.150 nan 0.000 0.504 377 D N -0.680 119.709 120.400 -0.018 0.000 2.368 377 D HA 0.264 4.903 4.640 -0.000 0.000 0.240 377 D C -0.056 176.236 176.300 -0.013 0.000 1.169 377 D CA 0.021 54.012 54.000 -0.014 0.000 0.906 377 D CB 0.577 41.369 40.800 -0.012 0.000 1.187 377 D HN 0.309 nan 8.370 nan 0.000 0.435 378 L N 1.676 122.894 121.223 -0.008 0.000 2.416 378 L HA 0.132 4.471 4.340 -0.000 0.000 0.272 378 L C -0.427 176.451 176.870 0.015 0.000 1.161 378 L CA 0.451 55.292 54.840 0.002 0.000 0.845 378 L CB 0.215 42.273 42.059 -0.001 0.000 1.119 378 L HN 0.213 nan 8.230 nan 0.000 0.464 379 M N 7.624 127.250 119.600 0.043 0.000 1.962 379 M HA 0.304 4.783 4.480 -0.000 0.000 0.227 379 M C -1.238 175.164 176.300 0.171 0.000 0.890 379 M CA -0.087 55.263 55.300 0.084 0.000 0.843 379 M CB 0.840 33.469 32.600 0.047 0.000 1.894 379 M HN 0.547 nan 8.290 nan 0.000 0.359 380 L N 2.410 123.719 121.223 0.143 0.000 2.287 380 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 380 L C -1.373 175.630 176.870 0.221 0.000 1.022 380 L CA -0.748 54.188 54.840 0.160 0.000 0.814 380 L CB 1.402 43.493 42.059 0.054 0.000 1.217 380 L HN 0.538 nan 8.230 nan 0.000 0.420 381 Y N 4.942 125.364 120.300 0.204 0.000 2.327 381 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 381 Y C -0.549 175.405 175.900 0.089 0.000 1.035 381 Y CA -0.349 57.857 58.100 0.177 0.000 1.165 381 Y CB 1.357 40.004 38.460 0.312 0.000 1.181 381 Y HN 0.287 nan 8.280 nan 0.000 0.494 382 V N 7.220 126.859 119.914 -0.459 0.000 2.353 382 V HA 0.041 4.161 4.120 -0.000 0.000 0.264 382 V C 0.908 176.675 176.094 -0.545 0.000 1.049 382 V CA 0.398 62.487 62.300 -0.352 0.000 0.896 382 V CB 0.714 32.429 31.823 -0.181 0.000 1.025 382 V HN 1.046 nan 8.190 nan 0.000 0.475 383 S N 4.583 120.146 115.700 -0.229 0.000 2.355 383 S HA 0.001 4.470 4.470 -0.000 0.000 0.222 383 S C 0.689 175.355 174.600 0.111 0.000 1.031 383 S CA 1.483 59.707 58.200 0.039 0.000 0.993 383 S CB 0.025 63.411 63.200 0.310 0.000 0.859 383 S HN 0.896 nan 8.310 nan 0.000 0.453 384 K N -1.360 119.144 120.400 0.173 0.000 2.711 384 K HA 0.288 4.608 4.320 -0.000 0.000 0.294 384 K C -1.589 175.127 176.600 0.193 0.000 1.037 384 K CA -0.946 55.437 56.287 0.161 0.000 0.858 384 K CB 0.325 32.929 32.500 0.173 0.000 1.521 384 K HN -0.033 nan 8.250 nan 0.000 0.386 385 M N 2.373 122.080 119.600 0.179 0.000 2.157 385 M HA 0.305 4.784 4.480 -0.000 0.000 0.354 385 M C -0.614 175.856 176.300 0.283 0.000 1.170 385 M CA -0.906 54.544 55.300 0.250 0.000 1.060 385 M CB 1.058 33.798 32.600 0.234 0.000 1.615 385 M HN 0.559 nan 8.290 nan 0.000 0.460 386 V N 6.420 126.463 119.914 0.215 0.000 2.483 386 V HA 0.589 4.709 4.120 -0.000 0.000 0.295 386 V C -2.430 173.544 176.094 -0.199 0.000 1.035 386 V CA -2.107 60.213 62.300 0.034 0.000 0.896 386 V CB 2.088 33.896 31.823 -0.025 0.000 0.986 386 V HN 0.606 nan 8.190 nan 0.000 0.447 387 P HA 0.287 nan 4.420 nan 0.000 0.271 387 P C -0.591 176.366 177.300 -0.573 0.000 1.220 387 P CA 0.267 62.906 63.100 -0.768 0.000 0.768 387 P CB 0.603 31.997 31.700 -0.510 0.000 0.848 388 T N -1.754 112.413 114.554 -0.646 0.000 2.926 388 T HA 0.408 4.758 4.350 -0.000 0.000 0.289 388 T C 0.909 175.384 174.700 -0.376 0.000 1.054 388 T CA -0.412 61.364 62.100 -0.541 0.000 1.015 388 T CB 1.138 69.520 68.868 -0.810 0.000 1.167 388 T HN 0.199 nan 8.240 nan 0.000 0.526 389 S N -0.923 114.613 115.700 -0.273 0.000 2.575 389 S HA 0.091 4.561 4.470 -0.000 0.000 0.215 389 S C 0.509 175.038 174.600 -0.120 0.000 0.966 389 S CA -0.215 57.883 58.200 -0.170 0.000 0.911 389 S CB -0.377 62.749 63.200 -0.123 0.000 0.780 389 S HN 0.773 nan 8.310 nan 0.000 0.514 390 D N 3.335 123.653 120.400 -0.137 0.000 2.545 390 D HA 0.062 4.701 4.640 -0.000 0.000 0.227 390 D C -0.411 175.872 176.300 -0.027 0.000 1.150 390 D CA -0.013 53.959 54.000 -0.047 0.000 1.046 390 D CB -0.230 40.580 40.800 0.016 0.000 1.098 390 D HN -0.004 nan 8.370 nan 0.000 0.502 391 K N 1.958 122.342 120.400 -0.027 0.000 4.971 391 K HA -0.205 4.114 4.320 -0.000 0.000 0.296 391 K C 1.066 177.676 176.600 0.017 0.000 0.724 391 K CA 0.956 57.238 56.287 -0.008 0.000 0.844 391 K CB -1.729 30.774 32.500 0.006 0.000 1.993 391 K HN 0.763 nan 8.250 nan 0.000 0.384 392 G N 0.883 109.690 108.800 0.012 0.000 2.166 392 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.260 392 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.260 392 G C -0.043 174.978 174.900 0.201 0.000 0.986 392 G CA 0.389 45.553 45.100 0.105 0.000 0.683 392 G HN 0.435 nan 8.290 nan 0.000 0.527 393 R N -0.540 120.017 120.500 0.095 0.000 2.368 393 R HA 0.610 4.950 4.340 -0.000 0.000 0.302 393 R C -0.461 175.903 176.300 0.106 0.000 1.002 393 R CA -0.606 55.609 56.100 0.191 0.000 0.929 393 R CB 0.569 30.977 30.300 0.180 0.000 1.073 393 R HN 0.181 nan 8.270 nan 0.000 0.464 394 F N 2.806 122.789 119.950 0.056 0.000 2.427 394 F HA 0.333 4.859 4.527 -0.001 0.000 0.346 394 F C 0.073 176.029 175.800 0.259 0.000 1.120 394 F CA -0.940 57.094 58.000 0.057 0.000 1.033 394 F CB 1.123 40.145 39.000 0.035 0.000 1.126 394 F HN 0.241 nan 8.300 nan 0.000 0.462 395 Y N 1.741 122.117 120.300 0.127 0.000 2.310 395 Y HA 0.552 5.102 4.550 -0.000 0.000 0.326 395 Y C 0.419 176.404 175.900 0.143 0.000 1.151 395 Y CA -2.193 55.974 58.100 0.110 0.000 1.195 395 Y CB 0.949 39.454 38.460 0.074 0.000 1.210 395 Y HN 0.580 nan 8.280 nan 0.000 0.483 396 A N 4.060 127.040 122.820 0.267 0.000 2.366 396 A HA 0.450 4.770 4.320 -0.000 0.000 0.272 396 A C -1.139 176.579 177.584 0.223 0.000 1.135 396 A CA -0.270 51.885 52.037 0.195 0.000 0.804 396 A CB -0.335 18.726 19.000 0.102 0.000 1.064 396 A HN 0.556 nan 8.150 nan 0.000 0.499 397 F N 2.624 122.620 119.950 0.077 0.000 2.469 397 F HA 0.711 5.238 4.527 -0.000 0.000 0.332 397 F C 0.415 176.243 175.800 0.046 0.000 1.103 397 F CA 0.376 58.415 58.000 0.066 0.000 0.979 397 F CB 1.601 40.642 39.000 0.069 0.000 1.137 397 F HN 0.873 nan 8.300 nan 0.000 0.463 398 G N 4.829 113.145 108.800 -0.807 0.000 2.494 398 G HA2 0.475 4.435 3.960 -0.000 0.000 0.308 398 G HA3 0.475 4.435 3.960 -0.000 0.000 0.308 398 G C -2.084 172.517 174.900 -0.498 0.000 1.263 398 G CA -1.166 43.608 45.100 -0.544 0.000 0.840 398 G HN 0.792 nan 8.290 nan 0.000 0.479 399 R N -0.485 119.879 120.500 -0.226 0.000 2.621 399 R HA 0.588 4.927 4.340 -0.000 0.000 0.284 399 R C -1.419 174.716 176.300 -0.276 0.000 0.998 399 R CA -0.552 55.355 56.100 -0.321 0.000 0.895 399 R CB 2.230 32.244 30.300 -0.477 0.000 1.195 399 R HN 0.408 nan 8.270 nan 0.000 0.450 400 V N 6.209 125.958 119.914 -0.275 0.000 2.405 400 V HA 0.178 4.297 4.120 -0.000 0.000 0.264 400 V C 0.327 176.273 176.094 -0.247 0.000 1.048 400 V CA 0.177 62.383 62.300 -0.156 0.000 0.966 400 V CB 0.573 32.331 31.823 -0.109 0.000 1.015 400 V HN 0.772 nan 8.190 nan 0.000 0.477 401 F N 2.735 122.671 119.950 -0.023 0.000 2.530 401 F HA 0.512 5.038 4.527 -0.001 0.000 0.292 401 F C 1.237 177.004 175.800 -0.055 0.000 1.109 401 F CA 0.812 58.788 58.000 -0.041 0.000 1.450 401 F CB 0.315 39.292 39.000 -0.040 0.000 1.114 401 F HN 0.568 nan 8.300 nan 0.000 0.560 402 A N -0.906 121.982 122.820 0.114 0.000 2.572 402 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 402 A C 0.257 177.848 177.584 0.010 0.000 1.072 402 A CA -0.248 51.810 52.037 0.035 0.000 0.691 402 A CB 0.517 19.520 19.000 0.006 0.000 1.291 402 A HN 0.645 nan 8.150 nan 0.000 0.404 403 G N -0.120 108.676 108.800 -0.007 0.000 2.598 403 G HA2 0.390 4.349 3.960 -0.000 0.000 0.244 403 G HA3 0.390 4.349 3.960 -0.000 0.000 0.244 403 G C 0.208 175.098 174.900 -0.017 0.000 1.302 403 G CA 0.523 45.615 45.100 -0.012 0.000 0.903 403 G HN 2.897 nan 8.290 nan 0.000 0.575 404 T N -3.801 110.742 114.554 -0.018 0.000 2.993 404 T HA 0.638 4.987 4.350 -0.000 0.000 0.312 404 T C -0.579 174.109 174.700 -0.020 0.000 1.115 404 T CA 0.243 62.329 62.100 -0.023 0.000 1.027 404 T CB 1.759 70.613 68.868 -0.023 0.000 1.116 404 T HN 2.050 nan 8.240 nan 0.000 0.464 405 V N 3.159 123.060 119.914 -0.023 0.000 2.567 405 V HA 0.712 4.832 4.120 -0.000 0.000 0.289 405 V C -0.635 175.447 176.094 -0.021 0.000 1.049 405 V CA -0.298 61.989 62.300 -0.021 0.000 0.969 405 V CB 1.112 32.921 31.823 -0.024 0.000 0.995 405 V HN 1.024 nan 8.190 nan 0.000 0.471 406 K N 3.742 124.131 120.400 -0.019 0.000 2.385 406 K HA 0.543 4.862 4.320 -0.000 0.000 0.248 406 K C -0.659 175.931 176.600 -0.017 0.000 0.955 406 K CA -0.623 55.654 56.287 -0.017 0.000 0.816 406 K CB 2.025 34.516 32.500 -0.015 0.000 1.250 406 K HN 0.575 nan 8.250 nan 0.000 0.434 407 S N 0.610 116.300 115.700 -0.017 0.000 2.533 407 S HA 0.282 4.751 4.470 -0.000 0.000 0.282 407 S C 1.053 175.645 174.600 -0.013 0.000 1.304 407 S CA 0.657 58.846 58.200 -0.018 0.000 1.063 407 S CB 0.607 63.797 63.200 -0.017 0.000 0.881 407 S HN 0.945 nan 8.310 nan 0.000 0.493 408 G N 2.075 110.867 108.800 -0.012 0.000 2.148 408 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 408 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 408 G C -0.026 174.869 174.900 -0.008 0.000 0.981 408 G CA 0.343 45.439 45.100 -0.007 0.000 0.670 408 G HN 0.738 nan 8.290 nan 0.000 0.528 409 Q N 0.323 120.116 119.800 -0.011 0.000 2.288 409 Q HA 0.448 4.788 4.340 -0.000 0.000 0.254 409 Q C 0.155 176.146 176.000 -0.015 0.000 0.932 409 Q CA -0.406 55.390 55.803 -0.013 0.000 0.902 409 Q CB 0.417 29.146 28.738 -0.015 0.000 1.203 409 Q HN 0.341 nan 8.270 nan 0.000 0.415 410 K N 2.798 123.188 120.400 -0.016 0.000 2.316 410 K HA 0.292 4.612 4.320 -0.000 0.000 0.289 410 K C -0.964 175.620 176.600 -0.027 0.000 1.070 410 K CA -0.282 55.992 56.287 -0.022 0.000 0.928 410 K CB 0.971 33.459 32.500 -0.020 0.000 1.039 410 K HN 0.385 nan 8.250 nan 0.000 0.480 411 V N 2.961 122.853 119.914 -0.036 0.000 3.141 411 V HA 0.447 4.567 4.120 -0.000 0.000 0.312 411 V C -0.470 175.589 176.094 -0.059 0.000 1.157 411 V CA -1.246 61.029 62.300 -0.040 0.000 1.041 411 V CB 2.187 33.991 31.823 -0.031 0.000 1.071 411 V HN 0.662 nan 8.190 nan 0.000 0.441 412 R N 1.437 121.897 120.500 -0.067 0.000 2.275 412 R HA 0.581 4.920 4.340 -0.000 0.000 0.326 412 R C -0.922 175.313 176.300 -0.108 0.000 0.973 412 R CA -0.291 55.751 56.100 -0.097 0.000 0.854 412 R CB 0.976 31.206 30.300 -0.117 0.000 1.156 412 R HN 0.571 nan 8.270 nan 0.000 0.487 413 I N 4.019 124.549 120.570 -0.066 0.000 2.363 413 I HA 0.025 4.195 4.170 -0.000 0.000 0.292 413 I C 0.205 176.327 176.117 0.008 0.000 1.075 413 I CA 0.171 61.473 61.300 0.003 0.000 1.333 413 I CB 0.609 38.658 38.000 0.082 0.000 1.415 413 I HN 0.391 nan 8.210 nan 0.000 0.502 414 Q N 5.858 125.607 119.800 -0.085 0.000 2.394 414 Q HA 0.411 4.750 4.340 -0.000 0.000 0.259 414 Q C 0.457 176.493 176.000 0.061 0.000 1.021 414 Q CA -0.593 55.119 55.803 -0.152 0.000 0.805 414 Q CB 1.961 30.362 28.738 -0.563 0.000 1.226 414 Q HN 0.801 nan 8.270 nan 0.000 0.476 415 G N 2.640 111.557 108.800 0.194 0.000 2.527 415 G HA2 0.044 4.004 3.960 -0.000 0.000 0.279 415 G HA3 0.044 4.004 3.960 -0.000 0.000 0.279 415 G C -1.668 173.327 174.900 0.159 0.000 1.374 415 G CA -0.843 44.372 45.100 0.192 0.000 1.053 415 G HN 0.389 nan 8.290 nan 0.000 0.539 416 P HA 0.016 nan 4.420 nan 0.000 0.226 416 P C 0.968 178.340 177.300 0.119 0.000 1.153 416 P CA 0.788 63.959 63.100 0.118 0.000 0.777 416 P CB 0.268 32.025 31.700 0.094 0.000 0.794 417 N N -2.447 116.330 118.700 0.128 0.000 2.187 417 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 417 N C -0.024 175.545 175.510 0.097 0.000 1.152 417 N CA -0.255 52.852 53.050 0.095 0.000 0.872 417 N CB 0.088 38.615 38.487 0.067 0.000 1.025 417 N HN 0.198 nan 8.380 nan 0.000 0.514 418 Y N 1.744 122.054 120.300 0.016 0.000 2.497 418 Y HA 0.182 4.732 4.550 -0.001 0.000 0.334 418 Y C -0.199 175.681 175.900 -0.033 0.000 1.199 418 Y CA 0.110 58.199 58.100 -0.017 0.000 1.425 418 Y CB 0.646 39.097 38.460 -0.014 0.000 1.291 418 Y HN -0.288 nan 8.280 nan 0.000 0.562 419 V N 8.603 128.084 119.914 -0.722 0.000 2.686 419 V HA 0.210 4.330 4.120 -0.000 0.000 0.306 419 V C -1.887 173.709 176.094 -0.830 0.000 1.065 419 V CA -1.665 60.340 62.300 -0.492 0.000 0.894 419 V CB 1.911 33.571 31.823 -0.272 0.000 1.004 419 V HN 0.675 nan 8.190 nan 0.000 0.424 420 P HA -0.187 nan 4.420 nan 0.000 0.218 420 P C 1.420 178.580 177.300 -0.233 0.000 1.147 420 P CA 1.873 64.841 63.100 -0.220 0.000 0.827 420 P CB 0.320 31.881 31.700 -0.233 0.000 0.778 421 G N -1.394 107.254 108.800 -0.253 0.000 2.441 421 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.212 421 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.212 421 G C 0.533 175.312 174.900 -0.202 0.000 1.164 421 G CA 0.190 45.185 45.100 -0.175 0.000 0.811 421 G HN 0.266 nan 8.290 nan 0.000 0.535 422 K N 0.272 120.501 120.400 -0.286 0.000 2.109 422 K HA 0.358 4.678 4.320 -0.000 0.000 0.243 422 K C 0.148 176.557 176.600 -0.318 0.000 1.006 422 K CA -0.505 55.631 56.287 -0.252 0.000 0.917 422 K CB 1.084 33.452 32.500 -0.219 0.000 1.081 422 K HN 0.101 nan 8.250 nan 0.000 0.468 423 K N 0.539 120.813 120.400 -0.209 0.000 2.570 423 K HA 0.062 4.382 4.320 -0.000 0.000 0.210 423 K C -0.766 175.728 176.600 -0.177 0.000 1.048 423 K CA -0.361 55.821 56.287 -0.174 0.000 1.167 423 K CB -0.279 32.150 32.500 -0.118 0.000 0.892 423 K HN 0.490 nan 8.250 nan 0.000 0.480 424 D N 0.871 121.153 120.400 -0.196 0.000 2.341 424 D HA 0.025 4.665 4.640 -0.000 0.000 0.245 424 D C 0.311 176.573 176.300 -0.063 0.000 1.106 424 D CA -0.248 53.676 54.000 -0.127 0.000 0.905 424 D CB 0.652 41.391 40.800 -0.101 0.000 1.202 424 D HN 0.031 nan 8.370 nan 0.000 0.426 425 D N -1.244 119.120 120.400 -0.060 0.000 2.979 425 D HA -0.217 4.423 4.640 -0.000 0.000 0.208 425 D C 0.143 176.342 176.300 -0.167 0.000 1.122 425 D CA 0.654 54.676 54.000 0.038 0.000 0.992 425 D CB -0.503 40.427 40.800 0.217 0.000 1.117 425 D HN 0.428 nan 8.370 nan 0.000 0.397 426 L N 0.269 121.348 121.223 -0.240 0.000 2.416 426 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 426 L C -0.688 175.725 176.870 -0.762 0.000 1.161 426 L CA 0.415 55.125 54.840 -0.217 0.000 0.845 426 L CB 0.177 42.269 42.059 0.054 0.000 1.119 426 L HN -0.084 nan 8.230 nan 0.000 0.464 427 F N 5.893 125.790 119.950 -0.089 0.000 2.915 427 F HA 0.426 4.953 4.527 -0.000 0.000 0.350 427 F C -0.326 175.273 175.800 -0.335 0.000 1.248 427 F CA -0.513 57.329 58.000 -0.263 0.000 1.084 427 F CB 0.924 39.684 39.000 -0.401 0.000 1.391 427 F HN 0.234 nan 8.300 nan 0.000 0.548 428 I N 3.942 124.430 120.570 -0.137 0.000 2.342 428 I HA 0.495 4.665 4.170 -0.000 0.000 0.291 428 I C -0.245 175.756 176.117 -0.194 0.000 1.010 428 I CA -0.440 60.779 61.300 -0.135 0.000 1.308 428 I CB 1.612 39.563 38.000 -0.081 0.000 1.400 428 I HN 0.440 nan 8.210 nan 0.000 0.488 429 K N 4.139 124.433 120.400 -0.177 0.000 2.597 429 K HA 0.684 5.003 4.320 -0.000 0.000 0.282 429 K C -1.326 175.240 176.600 -0.058 0.000 0.975 429 K CA -0.496 55.708 56.287 -0.139 0.000 0.867 429 K CB 1.915 34.257 32.500 -0.265 0.000 1.465 429 K HN 0.584 nan 8.250 nan 0.000 0.417 430 A N 2.712 125.524 122.820 -0.013 0.000 2.340 430 A HA 0.567 4.887 4.320 -0.000 0.000 0.268 430 A C -0.297 177.294 177.584 0.011 0.000 1.100 430 A CA -0.423 51.612 52.037 -0.003 0.000 0.803 430 A CB -0.053 18.949 19.000 0.004 0.000 1.043 430 A HN 0.606 nan 8.150 nan 0.000 0.488 431 I N 2.332 122.903 120.570 0.001 0.000 2.337 431 I HA 0.028 4.198 4.170 -0.000 0.000 0.291 431 I C 1.218 177.330 176.117 -0.008 0.000 1.046 431 I CA 0.045 61.344 61.300 -0.000 0.000 1.324 431 I CB 1.141 39.134 38.000 -0.012 0.000 1.409 431 I HN 0.890 nan 8.210 nan 0.000 0.494 432 Q N 4.212 124.005 119.800 -0.010 0.000 2.084 432 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 432 Q C 0.478 176.455 176.000 -0.038 0.000 0.978 432 Q CA 1.313 57.104 55.803 -0.020 0.000 0.844 432 Q CB 0.173 28.897 28.738 -0.022 0.000 0.898 432 Q HN 0.464 nan 8.270 nan 0.000 0.426 433 R N -1.063 119.398 120.500 -0.065 0.000 2.594 433 R HA 0.349 4.689 4.340 -0.000 0.000 0.265 433 R C -2.088 174.164 176.300 -0.079 0.000 1.070 433 R CA -0.279 55.780 56.100 -0.069 0.000 0.909 433 R CB 2.022 32.272 30.300 -0.084 0.000 1.243 433 R HN -0.145 nan 8.270 nan 0.000 0.455 434 V N 4.617 124.502 119.914 -0.050 0.000 2.370 434 V HA 0.568 4.688 4.120 -0.000 0.000 0.283 434 V C -0.420 175.661 176.094 -0.022 0.000 1.023 434 V CA -0.552 61.725 62.300 -0.038 0.000 0.857 434 V CB 1.474 33.282 31.823 -0.024 0.000 0.985 434 V HN 0.583 nan 8.190 nan 0.000 0.443 435 V N 3.983 123.891 119.914 -0.009 0.000 2.769 435 V HA 0.661 4.780 4.120 -0.000 0.000 0.312 435 V C -0.486 175.650 176.094 0.070 0.000 1.061 435 V CA -0.999 61.321 62.300 0.033 0.000 0.931 435 V CB 1.949 33.802 31.823 0.049 0.000 1.010 435 V HN 0.618 nan 8.190 nan 0.000 0.433 436 L N 4.629 125.902 121.223 0.082 0.000 2.331 436 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 436 L C 0.189 177.142 176.870 0.138 0.000 1.106 436 L CA -0.248 54.652 54.840 0.099 0.000 0.824 436 L CB 1.197 43.308 42.059 0.088 0.000 1.142 436 L HN 0.552 nan 8.230 nan 0.000 0.443 437 M N 5.794 125.493 119.600 0.166 0.000 2.261 437 M HA 0.306 4.785 4.480 -0.000 0.000 0.349 437 M C -0.560 175.823 176.300 0.139 0.000 1.305 437 M CA 0.239 55.645 55.300 0.176 0.000 1.240 437 M CB 0.608 33.360 32.600 0.254 0.000 1.394 437 M HN 0.521 nan 8.290 nan 0.000 0.438 438 M N 2.541 122.222 119.600 0.135 0.000 2.268 438 M HA 0.386 4.865 4.480 -0.000 0.000 0.340 438 M C 0.966 177.337 176.300 0.118 0.000 1.099 438 M CA -0.182 55.198 55.300 0.134 0.000 1.053 438 M CB 0.506 33.204 32.600 0.163 0.000 1.284 438 M HN 0.926 nan 8.290 nan 0.000 0.410 439 G N 3.238 112.061 108.800 0.038 0.000 2.543 439 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.286 439 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.286 439 G C 0.589 175.395 174.900 -0.157 0.000 1.153 439 G CA 0.068 45.147 45.100 -0.036 0.000 0.968 439 G HN 0.694 nan 8.290 nan 0.000 0.544 440 R N -0.071 120.206 120.500 -0.372 0.000 2.317 440 R HA 0.344 4.684 4.340 -0.000 0.000 0.208 440 R C 0.179 176.039 176.300 -0.732 0.000 0.914 440 R CA 0.261 55.990 56.100 -0.618 0.000 1.060 440 R CB 0.054 29.854 30.300 -0.832 0.000 1.015 440 R HN 0.247 nan 8.270 nan 0.000 0.498 441 F N -0.145 119.800 119.950 -0.007 0.000 2.557 441 F HA 0.444 4.971 4.527 -0.000 0.000 0.336 441 F C 0.413 176.239 175.800 0.044 0.000 1.058 441 F CA -1.467 56.540 58.000 0.012 0.000 0.988 441 F CB 1.034 40.042 39.000 0.013 0.000 1.275 441 F HN -0.349 nan 8.300 nan 0.000 0.488 442 V N -1.209 118.874 119.914 0.281 0.000 3.001 442 V HA 0.883 5.002 4.120 -0.000 0.000 0.314 442 V C -1.483 174.710 176.094 0.164 0.000 1.099 442 V CA -0.844 61.581 62.300 0.209 0.000 0.989 442 V CB 1.935 33.903 31.823 0.242 0.000 1.040 442 V HN 0.719 nan 8.190 nan 0.000 0.434 443 E N 2.381 122.654 120.200 0.123 0.000 2.343 443 E HA 0.586 4.936 4.350 -0.000 0.000 0.260 443 E C -3.043 173.592 176.600 0.059 0.000 0.908 443 E CA -2.023 54.426 56.400 0.082 0.000 0.814 443 E CB 2.174 31.917 29.700 0.072 0.000 1.302 443 E HN 0.645 nan 8.360 nan 0.000 0.408 444 P HA 0.127 nan 4.420 nan 0.000 0.265 444 P C -0.612 176.698 177.300 0.016 0.000 1.187 444 P CA 0.278 63.392 63.100 0.022 0.000 0.766 444 P CB 0.499 32.209 31.700 0.016 0.000 0.820 445 I N 1.740 122.314 120.570 0.007 0.000 2.994 445 I HA 0.216 4.386 4.170 -0.000 0.000 0.306 445 I C 0.494 176.608 176.117 -0.005 0.000 1.195 445 I CA -0.707 60.595 61.300 0.003 0.000 1.001 445 I CB 2.438 40.442 38.000 0.007 0.000 1.244 445 I HN 0.207 nan 8.210 nan 0.000 0.437 446 D N 2.104 122.500 120.400 -0.007 0.000 2.120 446 D HA 0.000 4.640 4.640 -0.000 0.000 0.202 446 D C -0.483 175.809 176.300 -0.013 0.000 0.972 446 D CA 1.355 55.348 54.000 -0.011 0.000 0.837 446 D CB 0.118 40.911 40.800 -0.011 0.000 0.989 446 D HN 0.690 nan 8.370 nan 0.000 0.469 447 D N -1.803 118.588 120.400 -0.014 0.000 2.664 447 D HA 0.402 5.041 4.640 -0.000 0.000 0.292 447 D C -1.194 175.094 176.300 -0.020 0.000 1.214 447 D CA -0.913 53.077 54.000 -0.018 0.000 0.932 447 D CB 1.837 42.626 40.800 -0.018 0.000 1.420 447 D HN 0.013 nan 8.370 nan 0.000 0.471 448 C N 1.373 120.658 119.300 -0.025 0.000 2.817 448 C HA 0.614 5.074 4.460 -0.000 0.000 0.385 448 C C -2.875 172.093 174.990 -0.037 0.000 1.050 448 C CA -0.887 58.113 59.018 -0.030 0.000 1.245 448 C CB 0.990 28.710 27.740 -0.033 0.000 1.706 448 C HN 0.579 nan 8.230 nan 0.000 0.488 449 P HA 0.386 nan 4.420 nan 0.000 0.278 449 P C -0.255 177.011 177.300 -0.056 0.000 1.266 449 P CA 0.047 63.123 63.100 -0.041 0.000 0.807 449 P CB 0.894 32.573 31.700 -0.035 0.000 1.094 450 A N 0.282 123.071 122.820 -0.052 0.000 2.565 450 A HA 0.373 4.693 4.320 -0.000 0.000 0.237 450 A C 1.422 178.952 177.584 -0.090 0.000 1.053 450 A CA 1.102 53.099 52.037 -0.067 0.000 0.755 450 A CB -1.660 17.319 19.000 -0.036 0.000 0.980 450 A HN 0.907 nan 8.150 nan 0.000 0.506 451 G N 1.889 110.598 108.800 -0.152 0.000 2.218 451 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.216 451 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.216 451 G C 0.108 174.909 174.900 -0.165 0.000 0.994 451 G CA 0.123 45.129 45.100 -0.157 0.000 0.637 451 G HN 0.826 nan 8.290 nan 0.000 0.505 452 N N 0.008 118.614 118.700 -0.156 0.000 2.443 452 N HA 0.662 5.402 4.740 -0.000 0.000 0.293 452 N C -0.580 174.831 175.510 -0.165 0.000 1.159 452 N CA -0.418 52.558 53.050 -0.124 0.000 0.904 452 N CB 1.645 40.087 38.487 -0.075 0.000 1.214 452 N HN 0.088 nan 8.380 nan 0.000 0.513 453 I N 1.223 121.723 120.570 -0.117 0.000 2.499 453 I HA 0.400 4.570 4.170 -0.000 0.000 0.296 453 I C 0.070 176.126 176.117 -0.102 0.000 0.992 453 I CA -0.144 61.066 61.300 -0.151 0.000 1.297 453 I CB 0.840 38.817 38.000 -0.038 0.000 1.410 453 I HN 0.439 nan 8.210 nan 0.000 0.507 454 I N 2.683 123.154 120.570 -0.165 0.000 2.961 454 I HA 0.654 4.824 4.170 -0.000 0.000 0.303 454 I C -0.878 175.221 176.117 -0.030 0.000 1.505 454 I CA -0.177 61.091 61.300 -0.053 0.000 0.964 454 I CB 2.141 40.106 38.000 -0.059 0.000 1.348 454 I HN 0.508 nan 8.210 nan 0.000 0.508 455 G N 4.476 113.316 108.800 0.066 0.000 2.461 455 G HA2 0.695 4.655 3.960 -0.000 0.000 0.323 455 G HA3 0.695 4.655 3.960 -0.000 0.000 0.323 455 G C -1.789 173.129 174.900 0.030 0.000 1.229 455 G CA -0.570 44.601 45.100 0.119 0.000 0.941 455 G HN 0.565 nan 8.290 nan 0.000 0.477 456 L N 1.992 123.224 121.223 0.015 0.000 2.341 456 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 456 L C -0.064 176.723 176.870 -0.139 0.000 1.005 456 L CA -1.234 53.575 54.840 -0.052 0.000 0.818 456 L CB 1.965 44.014 42.059 -0.017 0.000 1.259 456 L HN 0.375 nan 8.230 nan 0.000 0.418 457 V N 2.442 122.195 119.914 -0.269 0.000 2.483 457 V HA 0.852 4.972 4.120 -0.000 0.000 0.295 457 V C 0.683 176.684 176.094 -0.154 0.000 1.035 457 V CA 0.786 62.832 62.300 -0.423 0.000 0.896 457 V CB 1.193 32.566 31.823 -0.750 0.000 0.986 457 V HN 0.978 nan 8.190 nan 0.000 0.447 458 G N 5.248 114.012 108.800 -0.059 0.000 2.184 458 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.206 458 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.206 458 G C 0.279 175.229 174.900 0.083 0.000 0.995 458 G CA 0.154 45.267 45.100 0.020 0.000 0.651 458 G HN 0.786 nan 8.290 nan 0.000 0.511 459 I N 1.626 122.245 120.570 0.081 0.000 3.728 459 I HA 0.142 4.312 4.170 -0.000 0.000 0.307 459 I C 1.989 178.133 176.117 0.044 0.000 1.276 459 I CA 0.921 62.301 61.300 0.133 0.000 1.285 459 I CB -0.797 37.265 38.000 0.102 0.000 1.038 459 I HN 0.082 nan 8.210 nan 0.000 0.445 460 D N 2.274 122.681 120.400 0.011 0.000 2.355 460 D HA -0.302 4.338 4.640 -0.000 0.000 0.192 460 D C 2.210 178.385 176.300 -0.208 0.000 1.014 460 D CA 2.065 56.041 54.000 -0.040 0.000 0.862 460 D CB -0.479 40.325 40.800 0.007 0.000 0.986 460 D HN 0.421 nan 8.370 nan 0.000 0.456 461 Q N 0.291 119.851 119.800 -0.401 0.000 2.135 461 Q HA -0.169 4.170 4.340 -0.000 0.000 0.204 461 Q C 2.132 177.714 176.000 -0.696 0.000 0.981 461 Q CA 1.384 56.822 55.803 -0.609 0.000 0.856 461 Q CB -0.864 27.353 28.738 -0.867 0.000 0.902 461 Q HN 0.416 nan 8.270 nan 0.000 0.425 462 F N 0.204 119.942 119.950 -0.353 0.000 2.416 462 F HA 0.250 4.777 4.527 -0.000 0.000 0.296 462 F C 0.876 176.441 175.800 -0.392 0.000 1.099 462 F CA -0.018 57.593 58.000 -0.648 0.000 1.427 462 F CB 0.084 38.730 39.000 -0.590 0.000 1.079 462 F HN 0.000 nan 8.300 nan 0.000 0.536 463 L N 0.177 121.360 121.223 -0.066 0.000 2.408 463 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 463 L C -1.133 175.705 176.870 -0.055 0.000 0.986 463 L CA -0.672 54.155 54.840 -0.021 0.000 0.820 463 L CB 1.979 44.056 42.059 0.030 0.000 1.303 463 L HN -0.140 nan 8.230 nan 0.000 0.411 464 L N 5.800 126.994 121.223 -0.048 0.000 2.415 464 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 464 L C 0.047 176.900 176.870 -0.028 0.000 0.984 464 L CA -0.595 54.201 54.840 -0.073 0.000 0.853 464 L CB 1.369 43.362 42.059 -0.110 0.000 1.215 464 L HN 0.724 nan 8.230 nan 0.000 0.419 465 K N 0.005 120.400 120.400 -0.008 0.000 5.647 465 K HA -0.148 4.172 4.320 -0.000 0.000 0.463 465 K C 0.002 176.598 176.600 -0.006 0.000 1.759 465 K CA 0.932 57.228 56.287 0.015 0.000 0.955 465 K CB -0.742 31.770 32.500 0.020 0.000 1.358 465 K HN 0.751 nan 8.250 nan 0.000 0.433 466 T N -0.402 114.144 114.554 -0.014 0.000 2.860 466 T HA 0.554 4.904 4.350 -0.000 0.000 0.299 466 T C 0.588 175.240 174.700 -0.081 0.000 1.045 466 T CA 0.262 62.301 62.100 -0.100 0.000 1.071 466 T CB 1.443 70.286 68.868 -0.042 0.000 0.985 466 T HN 0.869 nan 8.240 nan 0.000 0.537 467 G N -0.146 108.550 108.800 -0.173 0.000 2.490 467 G HA2 0.580 4.540 3.960 -0.000 0.000 0.308 467 G HA3 0.580 4.540 3.960 -0.000 0.000 0.308 467 G C -1.369 173.494 174.900 -0.061 0.000 1.286 467 G CA -0.799 44.266 45.100 -0.059 0.000 0.825 467 G HN 0.887 nan 8.290 nan 0.000 0.479 468 T N 0.565 115.122 114.554 0.004 0.000 3.548 468 T HA 0.446 4.796 4.350 -0.000 0.000 0.329 468 T C -1.256 173.447 174.700 0.005 0.000 0.960 468 T CA -0.356 61.774 62.100 0.050 0.000 1.041 468 T CB 1.291 70.224 68.868 0.108 0.000 1.065 468 T HN 0.391 nan 8.240 nan 0.000 0.459 469 L N 3.994 125.229 121.223 0.020 0.000 2.292 469 L HA 0.759 5.099 4.340 -0.000 0.000 0.284 469 L C 0.873 177.742 176.870 -0.002 0.000 1.065 469 L CA 0.093 54.929 54.840 -0.006 0.000 0.806 469 L CB 1.298 43.357 42.059 0.001 0.000 1.175 469 L HN 0.879 nan 8.230 nan 0.000 0.431 470 T N -2.146 112.386 114.554 -0.036 0.000 2.883 470 T HA 0.397 4.746 4.350 -0.000 0.000 0.296 470 T C 0.134 174.814 174.700 -0.034 0.000 1.117 470 T CA -0.512 61.573 62.100 -0.026 0.000 1.006 470 T CB 1.729 70.577 68.868 -0.033 0.000 1.191 470 T HN 0.301 nan 8.240 nan 0.000 0.508 471 T N 0.715 115.257 114.554 -0.021 0.000 3.200 471 T HA 0.428 4.778 4.350 -0.000 0.000 0.284 471 T C -0.043 174.649 174.700 -0.013 0.000 1.009 471 T CA -0.118 61.970 62.100 -0.020 0.000 0.907 471 T CB -0.360 68.499 68.868 -0.015 0.000 1.120 471 T HN 0.829 nan 8.240 nan 0.000 0.534 472 S N 0.233 115.927 115.700 -0.010 0.000 2.561 472 S HA 0.402 4.871 4.470 -0.000 0.000 0.303 472 S C 0.722 175.328 174.600 0.010 0.000 1.110 472 S CA -0.574 57.629 58.200 0.004 0.000 1.034 472 S CB 1.816 65.025 63.200 0.015 0.000 1.010 472 S HN 0.380 nan 8.310 nan 0.000 0.482 473 E N 2.668 122.878 120.200 0.016 0.000 2.338 473 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 473 E C 0.907 177.538 176.600 0.051 0.000 1.007 473 E CA 1.179 57.598 56.400 0.031 0.000 0.849 473 E CB 0.131 29.845 29.700 0.023 0.000 0.774 473 E HN 0.772 nan 8.360 nan 0.000 0.506 474 T N 0.309 114.894 114.554 0.051 0.000 3.035 474 T HA 0.168 4.518 4.350 -0.000 0.000 0.259 474 T C 0.534 175.297 174.700 0.105 0.000 1.078 474 T CA 0.414 62.556 62.100 0.070 0.000 1.132 474 T CB 0.090 69.004 68.868 0.076 0.000 0.900 474 T HN 0.231 nan 8.240 nan 0.000 0.480 475 A N 1.876 124.759 122.820 0.104 0.000 2.591 475 A HA 0.041 4.360 4.320 -0.000 0.000 0.244 475 A C -0.033 177.662 177.584 0.186 0.000 1.031 475 A CA 0.488 52.623 52.037 0.163 0.000 0.767 475 A CB -0.380 18.667 19.000 0.079 0.000 0.942 475 A HN 0.579 nan 8.150 nan 0.000 0.514 476 H N 1.607 120.860 119.070 0.304 0.000 2.495 476 H HA 0.279 4.835 4.556 -0.000 0.000 0.350 476 H C 0.752 176.174 175.328 0.157 0.000 1.202 476 H CA -0.034 56.098 56.048 0.139 0.000 1.322 476 H CB 0.647 30.284 29.762 -0.209 0.000 1.544 476 H HN 0.805 nan 8.280 nan 0.000 0.565 477 N N 1.213 120.056 118.700 0.237 0.000 2.483 477 N HA 0.103 4.842 4.740 -0.000 0.000 0.269 477 N C -0.253 175.344 175.510 0.146 0.000 1.209 477 N CA -0.060 53.099 53.050 0.182 0.000 0.969 477 N CB 0.855 39.449 38.487 0.179 0.000 1.173 477 N HN 0.445 nan 8.380 nan 0.000 0.475 478 M N 0.968 120.679 119.600 0.185 0.000 2.116 478 M HA 0.287 4.767 4.480 -0.000 0.000 0.235 478 M C 0.846 177.196 176.300 0.083 0.000 1.193 478 M CA 0.032 55.408 55.300 0.126 0.000 0.959 478 M CB 0.733 33.414 32.600 0.135 0.000 1.313 478 M HN 0.404 nan 8.290 nan 0.000 0.530 479 K N -0.606 119.776 120.400 -0.030 0.000 1.726 479 K HA 0.629 4.949 4.320 -0.000 0.000 0.278 479 K C -0.929 175.681 176.600 0.016 0.000 0.842 479 K CA -0.271 56.010 56.287 -0.010 0.000 0.597 479 K CB 1.730 34.202 32.500 -0.047 0.000 2.677 479 K HN 0.514 nan 8.250 nan 0.000 0.945 480 V N -0.312 119.619 119.914 0.028 0.000 4.235 480 V HA 0.182 4.301 4.120 -0.000 0.000 0.562 480 V C -0.123 176.021 176.094 0.084 0.000 1.869 480 V CA -0.012 62.323 62.300 0.059 0.000 2.334 480 V CB -0.284 31.577 31.823 0.064 0.000 1.069 480 V HN 0.991 nan 8.190 nan 0.000 0.558 481 M N 0.459 120.121 119.600 0.103 0.000 7.319 481 M HA -0.262 4.217 4.480 -0.000 0.000 0.142 481 M C 0.300 176.485 176.300 -0.192 0.000 0.480 481 M CA 2.477 57.888 55.300 0.185 0.000 1.311 481 M CB -0.578 32.356 32.600 0.557 0.000 0.421 481 M HN 0.279 nan 8.290 nan 0.000 0.209 482 K N 0.816 123.438 120.400 3.702 0.000 2.564 482 K HA 0.243 4.563 4.320 -0.000 0.000 0.205 482 K C -0.683 176.370 176.600 0.755 0.000 1.053 482 K CA 0.372 56.884 56.287 0.375 0.000 1.072 482 K CB -0.265 32.361 32.500 0.211 0.000 0.822 482 K HN 0.551 nan 8.250 nan 0.000 0.497 483 F N 0.395 120.542 119.950 0.329 0.000 1.897 483 F HA -0.249 4.278 4.527 -0.000 0.000 0.248 483 F C 0.403 176.425 175.800 0.370 0.000 0.585 483 F CA -0.114 58.085 58.000 0.332 0.000 0.801 483 F CB -1.200 37.836 39.000 0.059 0.000 0.786 483 F HN -0.092 nan 8.300 nan 0.000 0.620 484 S N 0.807 116.892 115.700 0.642 0.000 2.568 484 S HA 0.448 4.918 4.470 -0.000 0.000 0.282 484 S C 0.684 175.488 174.600 0.341 0.000 1.338 484 S CA -0.286 58.200 58.200 0.477 0.000 1.045 484 S CB 0.778 64.179 63.200 0.336 0.000 0.873 484 S HN 1.623 nan 8.310 nan 0.000 0.516 485 V N 1.207 121.275 119.914 0.257 0.000 3.330 485 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 485 V C 0.134 176.303 176.094 0.126 0.000 1.481 485 V CA -0.346 62.060 62.300 0.177 0.000 1.068 485 V CB 0.105 32.041 31.823 0.188 0.000 0.935 485 V HN 0.531 nan 8.190 nan 0.000 0.453 486 S N 2.374 118.161 115.700 0.145 0.000 2.472 486 S HA 0.619 5.089 4.470 -0.000 0.000 0.303 486 S C -2.673 172.010 174.600 0.139 0.000 1.099 486 S CA -0.948 57.328 58.200 0.127 0.000 1.077 486 S CB 1.743 65.019 63.200 0.127 0.000 1.031 486 S HN 0.223 nan 8.310 nan 0.000 0.487 487 P HA 0.051 nan 4.420 nan 0.000 0.232 487 P C 0.992 178.383 177.300 0.152 0.000 1.738 487 P CA -0.071 63.118 63.100 0.149 0.000 0.948 487 P CB -0.655 31.132 31.700 0.143 0.000 1.943 488 V N -2.145 117.864 119.914 0.157 0.000 2.970 488 V HA -0.020 4.100 4.120 -0.000 0.000 0.260 488 V C 0.751 176.950 176.094 0.175 0.000 1.100 488 V CA 0.733 63.130 62.300 0.161 0.000 1.122 488 V CB -0.563 31.366 31.823 0.177 0.000 0.721 488 V HN -0.041 nan 8.190 nan 0.000 0.483 489 V N 3.102 123.115 119.914 0.166 0.000 2.347 489 V HA 0.518 4.637 4.120 -0.000 0.000 0.280 489 V C -0.329 175.839 176.094 0.125 0.000 1.021 489 V CA -0.370 62.024 62.300 0.155 0.000 0.847 489 V CB 0.733 32.636 31.823 0.133 0.000 0.990 489 V HN 0.704 nan 8.190 nan 0.000 0.444 490 Q N 4.042 123.918 119.800 0.126 0.000 2.389 490 Q HA 0.877 5.216 4.340 -0.000 0.000 0.277 490 Q C -1.159 174.852 176.000 0.018 0.000 1.082 490 Q CA -0.982 54.867 55.803 0.076 0.000 0.810 490 Q CB 3.161 31.967 28.738 0.113 0.000 1.374 490 Q HN 0.608 nan 8.270 nan 0.000 0.422 491 V N -2.740 117.156 119.914 -0.030 0.000 3.130 491 V HA 0.978 5.098 4.120 -0.000 0.000 0.310 491 V C -0.918 175.131 176.094 -0.075 0.000 1.158 491 V CA -1.178 61.084 62.300 -0.064 0.000 1.029 491 V CB 1.616 33.403 31.823 -0.060 0.000 1.057 491 V HN 0.919 nan 8.190 nan 0.000 0.436 492 A N 1.546 124.323 122.820 -0.072 0.000 2.301 492 A HA 0.829 5.148 4.320 -0.000 0.000 0.298 492 A C -0.414 177.149 177.584 -0.035 0.000 1.185 492 A CA -0.555 51.447 52.037 -0.059 0.000 0.830 492 A CB 0.922 19.893 19.000 -0.049 0.000 1.112 492 A HN 1.365 nan 8.150 nan 0.000 0.508 493 V N 2.357 122.264 119.914 -0.012 0.000 2.555 493 V HA 0.672 4.792 4.120 -0.000 0.000 0.302 493 V C -0.040 176.073 176.094 0.033 0.000 1.038 493 V CA -0.481 61.817 62.300 -0.003 0.000 0.887 493 V CB 1.465 33.274 31.823 -0.024 0.000 0.991 493 V HN 1.021 nan 8.190 nan 0.000 0.434 494 E N 2.564 122.773 120.200 0.014 0.000 2.372 494 E HA 0.531 4.881 4.350 -0.000 0.000 0.279 494 E C -1.212 175.390 176.600 0.003 0.000 0.946 494 E CA -0.745 55.674 56.400 0.030 0.000 0.769 494 E CB 2.716 32.440 29.700 0.039 0.000 1.230 494 E HN 0.642 nan 8.360 nan 0.000 0.442 495 V N 1.756 121.670 119.914 -0.000 0.000 2.715 495 V HA 0.245 4.365 4.120 -0.000 0.000 0.299 495 V C 0.878 176.970 176.094 -0.003 0.000 1.054 495 V CA -0.063 62.230 62.300 -0.010 0.000 1.077 495 V CB 1.196 33.010 31.823 -0.016 0.000 0.972 495 V HN 0.783 nan 8.190 nan 0.000 0.484 496 K N 2.128 122.523 120.400 -0.007 0.000 2.288 496 K HA 0.029 4.348 4.320 -0.000 0.000 0.201 496 K C 0.724 177.322 176.600 -0.004 0.000 1.048 496 K CA 0.767 57.051 56.287 -0.005 0.000 0.956 496 K CB 0.022 32.518 32.500 -0.007 0.000 0.746 496 K HN 0.802 nan 8.250 nan 0.000 0.461 497 N N 0.357 119.053 118.700 -0.006 0.000 2.569 497 N HA 0.155 4.894 4.740 -0.000 0.000 0.254 497 N C 0.355 175.863 175.510 -0.004 0.000 1.004 497 N CA 0.056 53.102 53.050 -0.005 0.000 0.904 497 N CB 1.445 39.926 38.487 -0.009 0.000 1.165 497 N HN -0.012 nan 8.380 nan 0.000 0.513 498 A N 4.066 126.886 122.820 0.001 0.000 1.957 498 A HA -0.302 4.018 4.320 -0.000 0.000 0.224 498 A C 1.687 179.272 177.584 0.002 0.000 1.287 498 A CA 1.863 53.903 52.037 0.005 0.000 0.682 498 A CB -0.503 18.501 19.000 0.006 0.000 0.833 498 A HN 0.819 nan 8.150 nan 0.000 0.482 499 N N 0.088 118.786 118.700 -0.002 0.000 2.519 499 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 499 N C 0.537 176.042 175.510 -0.010 0.000 1.062 499 N CA 1.303 54.350 53.050 -0.005 0.000 0.910 499 N CB -0.365 38.118 38.487 -0.006 0.000 0.958 499 N HN 0.558 nan 8.380 nan 0.000 0.445 500 D N 0.873 121.265 120.400 -0.013 0.000 2.347 500 D HA 0.056 4.696 4.640 -0.000 0.000 0.213 500 D C 2.052 178.336 176.300 -0.027 0.000 0.985 500 D CA -0.078 53.909 54.000 -0.021 0.000 0.879 500 D CB 0.200 40.986 40.800 -0.024 0.000 0.919 500 D HN 0.236 nan 8.370 nan 0.000 0.526 501 L N 1.022 122.233 121.223 -0.019 0.000 2.085 501 L HA -0.229 4.111 4.340 -0.000 0.000 0.218 501 L C -0.450 176.395 176.870 -0.041 0.000 1.080 501 L CA 1.756 56.581 54.840 -0.024 0.000 0.776 501 L CB -1.718 40.348 42.059 0.011 0.000 0.891 501 L HN 0.083 nan 8.230 nan 0.000 0.437 502 P HA -0.171 nan 4.420 nan 0.000 0.216 502 P C 1.294 178.569 177.300 -0.042 0.000 1.153 502 P CA 1.389 64.472 63.100 -0.029 0.000 0.848 502 P CB 0.028 31.717 31.700 -0.018 0.000 0.787 503 K N -1.016 119.359 120.400 -0.042 0.000 2.097 503 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 503 K C 1.950 178.515 176.600 -0.059 0.000 1.050 503 K CA 0.870 57.132 56.287 -0.041 0.000 0.938 503 K CB -0.815 31.664 32.500 -0.035 0.000 0.718 503 K HN 0.067 nan 8.250 nan 0.000 0.442 504 L N 1.160 122.330 121.223 -0.088 0.000 2.005 504 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 504 L C 1.983 178.741 176.870 -0.188 0.000 1.072 504 L CA 1.564 56.322 54.840 -0.137 0.000 0.744 504 L CB -0.485 41.467 42.059 -0.178 0.000 0.895 504 L HN -0.119 nan 8.230 nan 0.000 0.433 505 V N 0.024 119.817 119.914 -0.201 0.000 2.469 505 V HA -0.248 3.871 4.120 -0.000 0.000 0.251 505 V C 2.663 178.696 176.094 -0.102 0.000 1.064 505 V CA 1.828 64.021 62.300 -0.177 0.000 1.066 505 V CB -0.766 31.003 31.823 -0.089 0.000 0.667 505 V HN 0.563 nan 8.190 nan 0.000 0.461 506 E N 0.963 121.118 120.200 -0.076 0.000 2.112 506 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 506 E C 2.234 178.804 176.600 -0.049 0.000 0.979 506 E CA 1.327 57.696 56.400 -0.051 0.000 0.814 506 E CB -0.701 28.979 29.700 -0.033 0.000 0.762 506 E HN 0.418 nan 8.360 nan 0.000 0.460 507 G N 0.974 109.748 108.800 -0.044 0.000 2.422 507 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 507 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 507 G C 1.586 176.438 174.900 -0.080 0.000 1.146 507 G CA 0.948 46.042 45.100 -0.011 0.000 0.769 507 G HN 0.307 nan 8.290 nan 0.000 0.547 508 L N -0.039 121.119 121.223 -0.108 0.000 2.046 508 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 508 L C 2.979 179.769 176.870 -0.133 0.000 1.077 508 L CA 1.386 56.150 54.840 -0.126 0.000 0.747 508 L CB -0.327 41.663 42.059 -0.115 0.000 0.896 508 L HN 0.194 nan 8.230 nan 0.000 0.432 509 K N -0.055 120.279 120.400 -0.109 0.000 2.026 509 K HA -0.161 4.158 4.320 -0.000 0.000 0.208 509 K C 2.263 178.766 176.600 -0.161 0.000 1.048 509 K CA 1.295 57.514 56.287 -0.112 0.000 0.929 509 K CB -0.189 32.258 32.500 -0.088 0.000 0.713 509 K HN 0.246 nan 8.250 nan 0.000 0.439 510 R N 0.703 121.111 120.500 -0.153 0.000 2.091 510 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 510 R C 2.415 178.504 176.300 -0.352 0.000 1.136 510 R CA 1.205 57.211 56.100 -0.158 0.000 0.959 510 R CB -0.472 29.856 30.300 0.046 0.000 0.856 510 R HN 0.127 nan 8.270 nan 0.000 0.437 511 L N 0.684 121.560 121.223 -0.580 0.000 2.017 511 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 511 L C 1.937 178.621 176.870 -0.309 0.000 1.073 511 L CA 1.865 56.268 54.840 -0.728 0.000 0.745 511 L CB -0.522 41.223 42.059 -0.524 0.000 0.894 511 L HN -0.021 nan 8.230 nan 0.000 0.432 512 S N -0.146 115.430 115.700 -0.207 0.000 2.356 512 S HA -0.203 4.266 4.470 -0.000 0.000 0.223 512 S C 1.866 176.401 174.600 -0.109 0.000 1.032 512 S CA 1.692 59.822 58.200 -0.117 0.000 1.005 512 S CB -0.328 62.823 63.200 -0.083 0.000 0.867 512 S HN 0.493 nan 8.310 nan 0.000 0.449 513 K N 1.456 121.759 120.400 -0.162 0.000 2.097 513 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 513 K C 2.455 178.989 176.600 -0.110 0.000 1.049 513 K CA 1.588 57.763 56.287 -0.187 0.000 0.933 513 K CB -0.261 32.019 32.500 -0.367 0.000 0.717 513 K HN 0.490 nan 8.250 nan 0.000 0.442 514 S N -0.037 115.635 115.700 -0.048 0.000 2.496 514 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 514 S C 0.418 175.062 174.600 0.074 0.000 0.996 514 S CA 0.219 58.488 58.200 0.116 0.000 0.927 514 S CB 0.195 63.548 63.200 0.255 0.000 0.774 514 S HN 0.076 nan 8.310 nan 0.000 0.524 515 D N 1.353 121.763 120.400 0.017 0.000 2.549 515 D HA 0.407 5.047 4.640 -0.000 0.000 0.251 515 D C -2.436 173.875 176.300 0.019 0.000 1.153 515 D CA -2.165 51.851 54.000 0.027 0.000 0.861 515 D CB 2.376 43.198 40.800 0.037 0.000 1.207 515 D HN -0.109 nan 8.370 nan 0.000 0.543 516 P HA 0.023 nan 4.420 nan 0.000 0.217 516 P C 1.162 178.477 177.300 0.026 0.000 1.151 516 P CA 0.562 63.677 63.100 0.025 0.000 0.828 516 P CB 0.406 32.128 31.700 0.037 0.000 0.788 517 C N -1.249 118.053 119.300 0.003 0.000 2.576 517 C HA 0.224 4.684 4.460 -0.000 0.000 0.267 517 C C 1.229 176.324 174.990 0.175 0.000 1.364 517 C CA -0.218 58.816 59.018 0.026 0.000 1.723 517 C CB -1.218 26.419 27.740 -0.173 0.000 1.778 517 C HN 0.043 nan 8.230 nan 0.000 0.572 518 V N 1.782 121.787 119.914 0.151 0.000 2.567 518 V HA 0.648 4.768 4.120 -0.000 0.000 0.289 518 V C -0.654 175.478 176.094 0.063 0.000 1.049 518 V CA -0.335 62.025 62.300 0.100 0.000 0.969 518 V CB 1.615 33.432 31.823 -0.009 0.000 0.995 518 V HN 0.290 nan 8.190 nan 0.000 0.471 519 L N 5.920 127.186 121.223 0.071 0.000 2.408 519 L HA 0.903 5.242 4.340 -0.000 0.000 0.268 519 L C -0.366 176.563 176.870 0.099 0.000 0.986 519 L CA 0.246 55.149 54.840 0.105 0.000 0.820 519 L CB 2.397 44.553 42.059 0.162 0.000 1.303 519 L HN 0.871 nan 8.230 nan 0.000 0.411 520 T N 1.517 116.138 114.554 0.111 0.000 2.916 520 T HA 0.802 5.152 4.350 -0.000 0.000 0.298 520 T C -0.983 173.809 174.700 0.154 0.000 1.031 520 T CA -0.495 61.632 62.100 0.045 0.000 0.993 520 T CB 1.384 70.249 68.868 -0.007 0.000 1.045 520 T HN 0.830 nan 8.240 nan 0.000 0.454 521 Y N 0.279 120.602 120.300 0.038 0.000 2.677 521 Y HA 0.754 5.304 4.550 -0.000 0.000 0.334 521 Y C -1.197 174.715 175.900 0.020 0.000 1.196 521 Y CA -1.821 56.296 58.100 0.030 0.000 1.059 521 Y CB 1.460 39.928 38.460 0.014 0.000 1.315 521 Y HN 0.832 nan 8.280 nan 0.000 0.455 522 M N 3.597 123.278 119.600 0.136 0.000 2.144 522 M HA 0.503 4.983 4.480 -0.000 0.000 0.356 522 M C -0.068 176.297 176.300 0.107 0.000 1.217 522 M CA -0.123 55.167 55.300 -0.017 0.000 1.087 522 M CB 0.960 33.525 32.600 -0.058 0.000 1.609 522 M HN 0.840 nan 8.290 nan 0.000 0.467 523 S N 2.474 118.174 115.700 -0.001 0.000 2.614 523 S HA 0.194 4.663 4.470 -0.000 0.000 0.265 523 S C 0.852 175.476 174.600 0.042 0.000 1.303 523 S CA -0.327 57.923 58.200 0.084 0.000 1.000 523 S CB 1.059 64.273 63.200 0.023 0.000 0.935 523 S HN 0.852 nan 8.310 nan 0.000 0.551 524 E N 1.179 121.406 120.200 0.046 0.000 2.209 524 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 524 E C 1.337 177.943 176.600 0.010 0.000 0.993 524 E CA 1.602 58.015 56.400 0.020 0.000 0.819 524 E CB -0.470 29.239 29.700 0.016 0.000 0.745 524 E HN 0.630 nan 8.360 nan 0.000 0.477 525 S N -1.112 114.595 115.700 0.012 0.000 2.577 525 S HA 0.300 4.769 4.470 -0.000 0.000 0.219 525 S C 0.941 175.534 174.600 -0.012 0.000 0.962 525 S CA 0.355 58.562 58.200 0.011 0.000 0.921 525 S CB 0.622 63.847 63.200 0.042 0.000 0.789 525 S HN 0.507 nan 8.310 nan 0.000 0.497 526 G N 1.930 110.705 108.800 -0.041 0.000 2.149 526 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.235 526 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.235 526 G C -0.418 174.398 174.900 -0.140 0.000 1.018 526 G CA -0.312 44.736 45.100 -0.086 0.000 0.728 526 G HN 0.518 nan 8.290 nan 0.000 0.508 527 E N 0.161 120.278 120.200 -0.139 0.000 2.195 527 E HA 0.385 4.735 4.350 -0.000 0.000 0.271 527 E C -0.245 176.212 176.600 -0.238 0.000 0.923 527 E CA -0.981 55.326 56.400 -0.155 0.000 0.790 527 E CB 1.068 30.724 29.700 -0.074 0.000 1.155 527 E HN 0.409 nan 8.360 nan 0.000 0.402 528 H N 2.561 121.575 119.070 -0.093 0.000 2.848 528 H HA 0.143 4.699 4.556 -0.001 0.000 0.317 528 H C -0.113 175.090 175.328 -0.208 0.000 1.046 528 H CA 0.213 56.179 56.048 -0.136 0.000 1.470 528 H CB 0.515 30.221 29.762 -0.094 0.000 1.483 528 H HN 0.239 nan 8.280 nan 0.000 0.548 529 I N 4.149 124.554 120.570 -0.277 0.000 2.441 529 I HA 0.178 4.348 4.170 -0.000 0.000 0.295 529 I C 0.240 176.174 176.117 -0.304 0.000 0.994 529 I CA -0.739 60.321 61.300 -0.399 0.000 1.144 529 I CB 1.757 39.234 38.000 -0.872 0.000 1.314 529 I HN 0.186 nan 8.210 nan 0.000 0.445 530 V N 4.898 124.713 119.914 -0.166 0.000 2.487 530 V HA 0.793 4.912 4.120 -0.000 0.000 0.298 530 V C 0.043 176.109 176.094 -0.048 0.000 1.028 530 V CA -0.585 61.659 62.300 -0.093 0.000 0.860 530 V CB 1.745 33.522 31.823 -0.077 0.000 0.991 530 V HN 0.904 nan 8.190 nan 0.000 0.427 531 A N 3.458 126.282 122.820 0.008 0.000 2.386 531 A HA 0.981 5.300 4.320 -0.000 0.000 0.311 531 A C -0.004 177.618 177.584 0.063 0.000 1.068 531 A CA -0.141 51.935 52.037 0.065 0.000 0.743 531 A CB 1.876 20.967 19.000 0.151 0.000 1.258 531 A HN 1.093 nan 8.150 nan 0.000 0.429 532 G N -0.442 108.407 108.800 0.082 0.000 2.569 532 G HA2 0.479 4.439 3.960 -0.000 0.000 0.300 532 G HA3 0.479 4.439 3.960 -0.000 0.000 0.300 532 G C 0.508 175.567 174.900 0.264 0.000 1.269 532 G CA 0.263 45.459 45.100 0.160 0.000 0.959 532 G HN 0.533 nan 8.290 nan 0.000 0.478 533 T N -0.157 114.644 114.554 0.412 0.000 2.720 533 T HA 0.107 4.457 4.350 -0.000 0.000 0.268 533 T C 1.165 175.978 174.700 0.190 0.000 1.037 533 T CA 1.994 64.215 62.100 0.202 0.000 1.144 533 T CB -0.319 68.548 68.868 -0.002 0.000 0.864 533 T HN 0.932 nan 8.240 nan 0.000 0.444 534 G N -0.784 108.141 108.800 0.208 0.000 2.708 534 G HA2 0.492 4.452 3.960 -0.000 0.000 0.289 534 G HA3 0.492 4.452 3.960 -0.000 0.000 0.289 534 G C -0.155 174.830 174.900 0.143 0.000 1.416 534 G CA -0.566 44.631 45.100 0.162 0.000 0.829 534 G HN 0.039 nan 8.290 nan 0.000 0.480 535 E N -0.499 119.766 120.200 0.107 0.000 2.097 535 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 535 E C 2.361 179.002 176.600 0.069 0.000 1.000 535 E CA 1.149 57.597 56.400 0.079 0.000 0.804 535 E CB -0.051 29.688 29.700 0.065 0.000 0.740 535 E HN 0.313 nan 8.360 nan 0.000 0.454 536 L N 0.435 121.707 121.223 0.081 0.000 2.027 536 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 536 L C 2.251 179.177 176.870 0.094 0.000 1.074 536 L CA 2.030 56.914 54.840 0.072 0.000 0.745 536 L CB -0.737 41.365 42.059 0.071 0.000 0.898 536 L HN 0.307 nan 8.230 nan 0.000 0.433 537 H N -1.071 118.005 119.070 0.011 0.000 2.319 537 H HA -0.208 4.348 4.556 -0.000 0.000 0.299 537 H C 2.192 177.516 175.328 -0.006 0.000 1.092 537 H CA 2.027 58.068 56.048 -0.011 0.000 1.302 537 H CB 0.095 29.844 29.762 -0.021 0.000 1.373 537 H HN 0.367 nan 8.280 nan 0.000 0.497 538 L N 1.641 122.819 121.223 -0.075 0.000 2.079 538 L HA -0.164 4.175 4.340 -0.000 0.000 0.210 538 L C 2.502 179.312 176.870 -0.099 0.000 1.081 538 L CA 2.177 56.934 54.840 -0.138 0.000 0.752 538 L CB -0.755 41.285 42.059 -0.031 0.000 0.896 538 L HN 0.414 nan 8.230 nan 0.000 0.433 539 E N -0.528 119.646 120.200 -0.043 0.000 2.072 539 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 539 E C 2.131 178.710 176.600 -0.036 0.000 0.985 539 E CA 1.481 57.865 56.400 -0.027 0.000 0.801 539 E CB -0.031 29.668 29.700 -0.003 0.000 0.750 539 E HN 0.490 nan 8.360 nan 0.000 0.452 540 I N 1.403 121.951 120.570 -0.037 0.000 2.127 540 I HA -0.309 3.860 4.170 -0.000 0.000 0.241 540 I C 2.685 178.775 176.117 -0.044 0.000 1.075 540 I CA 0.829 62.112 61.300 -0.028 0.000 1.334 540 I CB -1.726 36.274 38.000 0.000 0.000 1.040 540 I HN 0.375 nan 8.210 nan 0.000 0.405 541 C N 0.881 120.111 119.300 -0.116 0.000 2.398 541 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 541 C C 3.004 177.974 174.990 -0.034 0.000 1.222 541 C CA 0.696 59.649 59.018 -0.109 0.000 1.746 541 C CB -1.224 26.365 27.740 -0.253 0.000 2.039 541 C HN 0.468 nan 8.230 nan 0.000 0.470 542 L N 0.010 121.205 121.223 -0.047 0.000 2.093 542 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 542 L C 2.784 179.658 176.870 0.007 0.000 1.085 542 L CA 1.482 56.310 54.840 -0.020 0.000 0.755 542 L CB -0.779 41.263 42.059 -0.028 0.000 0.904 542 L HN 0.499 nan 8.230 nan 0.000 0.435 543 Q N -0.099 119.702 119.800 0.002 0.000 2.020 543 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 543 Q C 1.866 177.887 176.000 0.035 0.000 0.982 543 Q CA 1.665 57.474 55.803 0.011 0.000 0.838 543 Q CB -0.138 28.590 28.738 -0.016 0.000 0.899 543 Q HN 0.448 nan 8.270 nan 0.000 0.423 544 D N 0.649 121.069 120.400 0.032 0.000 2.144 544 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 544 D C 1.904 178.267 176.300 0.106 0.000 0.984 544 D CA 0.723 54.740 54.000 0.028 0.000 0.834 544 D CB -0.183 40.656 40.800 0.065 0.000 0.955 544 D HN 0.096 nan 8.370 nan 0.000 0.465 545 L N 1.286 122.631 121.223 0.203 0.000 1.994 545 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 545 L C 2.212 179.139 176.870 0.095 0.000 1.071 545 L CA 1.954 56.914 54.840 0.200 0.000 0.745 545 L CB -0.638 41.467 42.059 0.076 0.000 0.892 545 L HN -0.044 nan 8.230 nan 0.000 0.431 546 E N -1.706 118.527 120.200 0.056 0.000 2.051 546 E HA -0.301 4.049 4.350 -0.000 0.000 0.192 546 E C 2.340 178.955 176.600 0.025 0.000 0.991 546 E CA 1.348 57.766 56.400 0.029 0.000 0.799 546 E CB -0.357 29.359 29.700 0.026 0.000 0.748 546 E HN 0.693 nan 8.360 nan 0.000 0.449 547 H N -0.062 118.985 119.070 -0.039 0.000 2.333 547 H HA -0.070 4.485 4.556 -0.001 0.000 0.302 547 H C 1.090 176.370 175.328 -0.079 0.000 1.075 547 H CA 1.829 57.844 56.048 -0.056 0.000 1.348 547 H CB 0.387 30.112 29.762 -0.061 0.000 1.393 547 H HN 0.260 nan 8.280 nan 0.000 0.509 548 D N -0.684 119.718 120.400 0.003 0.000 2.844 548 D HA -0.031 4.609 4.640 -0.000 0.000 0.271 548 D C 2.214 178.453 176.300 -0.101 0.000 1.386 548 D CA 0.021 53.956 54.000 -0.108 0.000 1.053 548 D CB -0.696 39.962 40.800 -0.236 0.000 1.107 548 D HN 0.360 nan 8.370 nan 0.000 0.395 549 H N 1.275 120.356 119.070 0.018 0.000 2.304 549 H HA -0.177 4.379 4.556 -0.001 0.000 0.287 549 H C 1.754 177.070 175.328 -0.019 0.000 1.112 549 H CA 2.147 58.198 56.048 0.006 0.000 1.200 549 H CB -0.300 29.463 29.762 0.002 0.000 1.349 549 H HN 0.224 nan 8.280 nan 0.000 0.477 550 A N -0.666 122.208 122.820 0.089 0.000 2.013 550 A HA 0.376 4.696 4.320 -0.000 0.000 0.204 550 A C 1.874 179.443 177.584 -0.024 0.000 1.262 550 A CA 0.949 52.995 52.037 0.016 0.000 0.800 550 A CB -0.097 18.899 19.000 -0.006 0.000 0.909 550 A HN 0.529 nan 8.150 nan 0.000 0.472 551 G N -0.469 108.304 108.800 -0.046 0.000 2.338 551 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.296 551 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.296 551 G C -0.185 174.665 174.900 -0.085 0.000 1.040 551 G CA 0.518 45.557 45.100 -0.102 0.000 1.004 551 G HN 1.196 nan 8.290 nan 0.000 0.509 552 V N -0.598 119.280 119.914 -0.061 0.000 3.048 552 V HA 0.480 4.600 4.120 -0.000 0.000 0.303 552 V C -2.331 173.741 176.094 -0.037 0.000 1.214 552 V CA -1.710 60.561 62.300 -0.049 0.000 0.984 552 V CB 2.605 34.404 31.823 -0.041 0.000 1.054 552 V HN 0.100 nan 8.190 nan 0.000 0.430 553 P HA 0.188 nan 4.420 nan 0.000 0.261 553 P C -0.952 176.337 177.300 -0.019 0.000 1.183 553 P CA 0.533 63.621 63.100 -0.021 0.000 0.761 553 P CB 0.231 31.921 31.700 -0.018 0.000 0.785 554 L N 3.178 124.392 121.223 -0.015 0.000 2.333 554 L HA 0.555 4.894 4.340 -0.000 0.000 0.269 554 L C 0.510 177.373 176.870 -0.012 0.000 1.010 554 L CA -0.937 53.893 54.840 -0.016 0.000 0.818 554 L CB 2.014 44.062 42.059 -0.018 0.000 1.306 554 L HN 0.225 nan 8.230 nan 0.000 0.430 555 K N 2.546 122.939 120.400 -0.012 0.000 2.323 555 K HA 0.542 4.861 4.320 -0.000 0.000 0.259 555 K C -1.299 175.292 176.600 -0.016 0.000 0.947 555 K CA -0.609 55.671 56.287 -0.011 0.000 0.819 555 K CB 1.286 33.781 32.500 -0.007 0.000 1.109 555 K HN 0.357 nan 8.250 nan 0.000 0.429 556 I N 3.143 123.701 120.570 -0.020 0.000 2.460 556 I HA 0.382 4.552 4.170 -0.000 0.000 0.298 556 I C -0.065 176.030 176.117 -0.037 0.000 0.989 556 I CA -0.311 60.972 61.300 -0.029 0.000 1.173 556 I CB 1.186 39.169 38.000 -0.029 0.000 1.338 556 I HN 0.864 nan 8.210 nan 0.000 0.456 557 S N 5.302 120.972 115.700 -0.050 0.000 2.611 557 S HA 0.673 5.143 4.470 -0.000 0.000 0.268 557 S C -3.222 171.318 174.600 -0.099 0.000 1.156 557 S CA -1.239 56.922 58.200 -0.065 0.000 0.817 557 S CB 1.726 64.897 63.200 -0.049 0.000 1.122 557 S HN 0.264 nan 8.310 nan 0.000 0.466 558 P HA 0.369 nan 4.420 nan 0.000 0.272 558 P C -2.532 174.677 177.300 -0.151 0.000 1.223 558 P CA -1.009 61.949 63.100 -0.237 0.000 0.784 558 P CB -0.196 31.319 31.700 -0.308 0.000 0.923 559 P HA 0.082 nan 4.420 nan 0.000 0.285 559 P C -0.566 176.730 177.300 -0.007 0.000 1.259 559 P CA -0.057 62.993 63.100 -0.083 0.000 0.794 559 P CB 0.605 32.318 31.700 0.020 0.000 0.940 560 V N 4.008 123.943 119.914 0.036 0.000 2.655 560 V HA 0.005 4.124 4.120 -0.000 0.000 0.300 560 V C 0.767 176.946 176.094 0.143 0.000 1.044 560 V CA 0.034 62.395 62.300 0.103 0.000 1.095 560 V CB 1.089 32.970 31.823 0.098 0.000 0.952 560 V HN 0.277 nan 8.190 nan 0.000 0.485 561 V N 4.931 124.963 119.914 0.197 0.000 2.509 561 V HA 0.609 4.729 4.120 -0.000 0.000 0.284 561 V C 0.584 176.676 176.094 -0.004 0.000 1.047 561 V CA -0.473 61.868 62.300 0.068 0.000 0.952 561 V CB 1.434 33.273 31.823 0.026 0.000 0.988 561 V HN 1.008 nan 8.190 nan 0.000 0.469 562 A N 4.686 127.454 122.820 -0.087 0.000 2.327 562 A HA 0.773 5.093 4.320 -0.000 0.000 0.283 562 A C -1.051 176.501 177.584 -0.053 0.000 1.127 562 A CA -0.173 51.884 52.037 0.033 0.000 0.810 562 A CB 0.316 19.374 19.000 0.097 0.000 1.066 562 A HN 0.734 nan 8.150 nan 0.000 0.492 563 Y N 0.215 120.684 120.300 0.280 0.000 2.633 563 Y HA 0.740 5.290 4.550 -0.000 0.000 0.339 563 Y C 0.363 176.246 175.900 -0.028 0.000 1.045 563 Y CA -0.798 57.489 58.100 0.311 0.000 1.098 563 Y CB 1.632 40.337 38.460 0.409 0.000 1.296 563 Y HN 0.644 nan 8.280 nan 0.000 0.494 564 R N 0.656 121.173 120.500 0.028 0.000 2.740 564 R HA 0.423 4.763 4.340 -0.000 0.000 0.282 564 R C -1.460 174.847 176.300 0.013 0.000 0.969 564 R CA -1.168 54.789 56.100 -0.237 0.000 0.918 564 R CB 1.418 31.319 30.300 -0.665 0.000 1.175 564 R HN 0.657 nan 8.270 nan 0.000 0.464 565 E N 0.658 120.855 120.200 -0.004 0.000 2.129 565 E HA 0.353 4.703 4.350 -0.000 0.000 0.268 565 E C -0.631 176.153 176.600 0.306 0.000 0.900 565 E CA -0.337 56.166 56.400 0.173 0.000 0.755 565 E CB 2.102 31.816 29.700 0.024 0.000 1.117 565 E HN 0.398 nan 8.360 nan 0.000 0.410 566 T N 0.960 115.718 114.554 0.339 0.000 2.742 566 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 566 T C -1.241 173.423 174.700 -0.060 0.000 1.025 566 T CA -0.652 61.583 62.100 0.226 0.000 1.020 566 T CB 1.512 70.437 68.868 0.095 0.000 1.317 566 T HN 0.243 nan 8.240 nan 0.000 0.538 567 V N 0.760 120.578 119.914 -0.160 0.000 2.680 567 V HA 0.736 4.855 4.120 -0.000 0.000 0.309 567 V C 0.532 176.543 176.094 -0.138 0.000 1.052 567 V CA -0.611 61.505 62.300 -0.305 0.000 0.908 567 V CB 1.628 33.234 31.823 -0.363 0.000 1.001 567 V HN 0.929 nan 8.190 nan 0.000 0.431 568 E N 2.441 122.562 120.200 -0.131 0.000 2.340 568 E HA 0.214 4.564 4.350 -0.000 0.000 0.194 568 E C 0.764 177.320 176.600 -0.073 0.000 0.996 568 E CA 0.978 57.334 56.400 -0.073 0.000 0.869 568 E CB 0.405 30.072 29.700 -0.055 0.000 0.835 568 E HN 1.119 nan 8.360 nan 0.000 0.493 569 S N -1.787 113.854 115.700 -0.100 0.000 2.752 569 S HA 0.326 4.795 4.470 -0.000 0.000 0.284 569 S C -0.533 174.001 174.600 -0.109 0.000 1.189 569 S CA -1.091 57.054 58.200 -0.091 0.000 0.835 569 S CB 1.089 64.239 63.200 -0.083 0.000 1.192 569 S HN 0.097 nan 8.310 nan 0.000 0.506 570 E N 0.653 120.793 120.200 -0.101 0.000 2.392 570 E HA 0.370 4.720 4.350 -0.000 0.000 0.259 570 E C -0.587 175.939 176.600 -0.122 0.000 1.108 570 E CA -0.440 55.897 56.400 -0.105 0.000 0.916 570 E CB 0.623 30.265 29.700 -0.097 0.000 0.989 570 E HN 0.586 nan 8.360 nan 0.000 0.432 571 S N 1.607 117.235 115.700 -0.121 0.000 2.546 571 S HA -0.071 4.398 4.470 -0.000 0.000 0.290 571 S C 1.173 175.673 174.600 -0.166 0.000 1.290 571 S CA 0.244 58.353 58.200 -0.151 0.000 1.069 571 S CB 0.769 63.897 63.200 -0.120 0.000 0.846 571 S HN 0.625 nan 8.310 nan 0.000 0.495 572 S N 1.877 117.446 115.700 -0.218 0.000 2.500 572 S HA -0.106 4.364 4.470 -0.000 0.000 0.239 572 S C 0.439 174.921 174.600 -0.197 0.000 0.989 572 S CA 0.477 58.557 58.200 -0.201 0.000 0.951 572 S CB -0.532 62.532 63.200 -0.227 0.000 0.759 572 S HN 0.879 nan 8.310 nan 0.000 0.523 573 Q N -1.464 118.204 119.800 -0.221 0.000 2.594 573 Q HA 0.349 4.688 4.340 -0.000 0.000 0.278 573 Q C -1.525 174.417 176.000 -0.097 0.000 0.961 573 Q CA -0.932 54.776 55.803 -0.159 0.000 0.844 573 Q CB 0.216 28.830 28.738 -0.206 0.000 1.475 573 Q HN -0.031 nan 8.270 nan 0.000 0.389 574 T N 1.684 116.241 114.554 0.006 0.000 2.891 574 T HA 0.269 4.619 4.350 -0.000 0.000 0.296 574 T C 0.071 174.886 174.700 0.191 0.000 1.025 574 T CA 0.921 63.078 62.100 0.096 0.000 1.149 574 T CB 0.175 69.143 68.868 0.166 0.000 1.007 574 T HN 0.590 nan 8.240 nan 0.000 0.528 575 A N 3.575 126.494 122.820 0.164 0.000 2.328 575 A HA 0.642 4.962 4.320 -0.000 0.000 0.284 575 A C -0.427 177.217 177.584 0.100 0.000 1.160 575 A CA -0.611 51.569 52.037 0.239 0.000 0.818 575 A CB 0.317 19.408 19.000 0.152 0.000 1.087 575 A HN 0.691 nan 8.150 nan 0.000 0.504 576 L N 2.270 123.442 121.223 -0.086 0.000 2.381 576 L HA 0.769 5.108 4.340 -0.000 0.000 0.274 576 L C -0.538 176.026 176.870 -0.510 0.000 0.988 576 L CA 0.276 54.814 54.840 -0.503 0.000 0.824 576 L CB 2.032 43.685 42.059 -0.677 0.000 1.263 576 L HN 0.566 nan 8.230 nan 0.000 0.410 577 S N 3.683 119.166 115.700 -0.361 0.000 2.546 577 S HA 0.707 5.177 4.470 -0.000 0.000 0.274 577 S C -1.375 173.107 174.600 -0.196 0.000 1.121 577 S CA -0.991 57.078 58.200 -0.217 0.000 0.887 577 S CB 2.033 65.184 63.200 -0.080 0.000 1.094 577 S HN 0.698 nan 8.310 nan 0.000 0.474 578 K N -0.291 120.028 120.400 -0.135 0.000 2.306 578 K HA 0.759 5.078 4.320 -0.000 0.000 0.236 578 K C -0.229 176.345 176.600 -0.043 0.000 1.013 578 K CA -0.711 55.520 56.287 -0.093 0.000 0.857 578 K CB 1.296 33.741 32.500 -0.092 0.000 1.214 578 K HN 0.583 nan 8.250 nan 0.000 0.449 579 S N -0.023 115.669 115.700 -0.013 0.000 2.645 579 S HA 0.202 4.671 4.470 -0.000 0.000 0.266 579 S C -1.941 172.667 174.600 0.014 0.000 1.258 579 S CA -1.159 57.047 58.200 0.011 0.000 0.990 579 S CB 1.053 64.274 63.200 0.035 0.000 0.967 579 S HN 0.475 nan 8.310 nan 0.000 0.556 580 P HA -0.115 nan 4.420 nan 0.000 0.216 580 P C 0.906 178.225 177.300 0.033 0.000 1.153 580 P CA 1.492 64.603 63.100 0.019 0.000 0.858 580 P CB -0.232 31.482 31.700 0.023 0.000 0.789 581 N N -1.003 117.736 118.700 0.065 0.000 2.205 581 N HA -0.151 4.588 4.740 -0.000 0.000 0.186 581 N C 0.517 176.110 175.510 0.139 0.000 1.015 581 N CA 0.942 54.086 53.050 0.156 0.000 0.862 581 N CB -0.170 38.444 38.487 0.212 0.000 0.986 581 N HN 0.036 nan 8.380 nan 0.000 0.429 582 K N -2.582 117.839 120.400 0.035 0.000 3.509 582 K HA -0.231 4.089 4.320 -0.000 0.000 0.302 582 K C -0.109 176.398 176.600 -0.154 0.000 1.355 582 K CA 0.927 57.166 56.287 -0.080 0.000 0.953 582 K CB -1.485 30.935 32.500 -0.133 0.000 1.321 582 K HN 0.461 nan 8.250 nan 0.000 0.461 583 H N 0.049 119.114 119.070 -0.009 0.000 2.547 583 H HA 0.179 4.734 4.556 -0.001 0.000 0.272 583 H C 0.535 175.897 175.328 0.056 0.000 0.971 583 H CA 0.423 56.486 56.048 0.025 0.000 1.245 583 H CB 0.304 30.060 29.762 -0.010 0.000 1.440 583 H HN 0.167 nan 8.280 nan 0.000 0.540 584 N N 1.296 120.079 118.700 0.138 0.000 2.361 584 N HA 0.381 5.120 4.740 -0.000 0.000 0.302 584 N C -0.621 174.908 175.510 0.031 0.000 1.074 584 N CA -0.432 52.679 53.050 0.101 0.000 0.850 584 N CB 2.472 41.017 38.487 0.097 0.000 1.228 584 N HN 0.147 nan 8.380 nan 0.000 0.491 585 R N 1.186 121.701 120.500 0.024 0.000 2.673 585 R HA 0.581 4.921 4.340 -0.000 0.000 0.281 585 R C -0.732 175.522 176.300 -0.077 0.000 0.991 585 R CA -0.652 55.396 56.100 -0.086 0.000 0.896 585 R CB 2.181 32.384 30.300 -0.161 0.000 1.201 585 R HN 0.475 nan 8.270 nan 0.000 0.457 586 I N 2.597 123.064 120.570 -0.171 0.000 2.474 586 I HA 0.359 4.529 4.170 -0.000 0.000 0.294 586 I C -1.060 174.929 176.117 -0.213 0.000 1.005 586 I CA -0.870 60.380 61.300 -0.082 0.000 1.113 586 I CB 1.592 39.574 38.000 -0.030 0.000 1.289 586 I HN 0.465 nan 8.210 nan 0.000 0.436 587 Y N 6.989 127.276 120.300 -0.021 0.000 2.328 587 Y HA 0.609 5.159 4.550 -0.000 0.000 0.337 587 Y C -0.293 175.590 175.900 -0.028 0.000 0.966 587 Y CA -0.874 57.215 58.100 -0.018 0.000 1.136 587 Y CB 1.486 39.936 38.460 -0.017 0.000 1.170 587 Y HN 0.353 nan 8.280 nan 0.000 0.470 588 L N 0.230 121.514 121.223 0.102 0.000 2.491 588 L HA 0.804 5.144 4.340 -0.000 0.000 0.254 588 L C -1.595 175.295 176.870 0.034 0.000 1.048 588 L CA -1.487 53.378 54.840 0.042 0.000 0.855 588 L CB 2.177 44.238 42.059 0.004 0.000 1.466 588 L HN 0.324 nan 8.230 nan 0.000 0.409 589 K N 0.280 120.678 120.400 -0.002 0.000 2.469 589 K HA 0.916 5.235 4.320 -0.000 0.000 0.254 589 K C -1.398 175.189 176.600 -0.022 0.000 0.939 589 K CA -0.741 55.535 56.287 -0.018 0.000 0.812 589 K CB 2.509 34.985 32.500 -0.041 0.000 1.301 589 K HN 0.987 nan 8.250 nan 0.000 0.433 590 A N 1.850 124.657 122.820 -0.022 0.000 2.355 590 A HA 0.646 4.966 4.320 -0.000 0.000 0.324 590 A C -1.105 176.449 177.584 -0.051 0.000 1.117 590 A CA -0.525 51.509 52.037 -0.005 0.000 0.785 590 A CB 0.940 19.965 19.000 0.042 0.000 1.254 590 A HN 0.835 nan 8.150 nan 0.000 0.453 591 E N 0.875 121.049 120.200 -0.043 0.000 2.392 591 E HA 0.600 4.950 4.350 -0.000 0.000 0.279 591 E C -3.159 173.417 176.600 -0.040 0.000 0.964 591 E CA -2.217 54.141 56.400 -0.069 0.000 0.777 591 E CB 1.683 31.324 29.700 -0.099 0.000 1.249 591 E HN 0.269 nan 8.360 nan 0.000 0.449 592 P HA 0.131 nan 4.420 nan 0.000 0.268 592 P C -0.638 176.673 177.300 0.019 0.000 1.205 592 P CA 0.072 63.167 63.100 -0.009 0.000 0.771 592 P CB 0.470 32.159 31.700 -0.018 0.000 0.858 593 I N 1.935 122.547 120.570 0.070 0.000 2.392 593 I HA 0.184 4.353 4.170 -0.000 0.000 0.295 593 I C 0.900 177.088 176.117 0.118 0.000 0.985 593 I CA -0.671 60.707 61.300 0.130 0.000 1.221 593 I CB 0.903 39.006 38.000 0.172 0.000 1.366 593 I HN 0.288 nan 8.210 nan 0.000 0.467 594 D N 5.348 125.836 120.400 0.148 0.000 2.443 594 D HA -0.077 4.562 4.640 -0.000 0.000 0.239 594 D C 1.046 177.423 176.300 0.128 0.000 1.136 594 D CA 0.219 54.299 54.000 0.133 0.000 0.879 594 D CB 1.189 42.094 40.800 0.175 0.000 1.195 594 D HN 0.498 nan 8.370 nan 0.000 0.443 595 E N 2.456 122.720 120.200 0.107 0.000 2.070 595 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 595 E C 1.503 178.171 176.600 0.115 0.000 1.004 595 E CA 0.953 57.415 56.400 0.103 0.000 0.805 595 E CB 0.096 29.845 29.700 0.082 0.000 0.744 595 E HN 0.577 nan 8.360 nan 0.000 0.451 596 E N 0.228 120.513 120.200 0.142 0.000 2.160 596 E HA -0.134 4.215 4.350 -0.000 0.000 0.195 596 E C 2.125 178.816 176.600 0.153 0.000 0.991 596 E CA 0.684 57.199 56.400 0.192 0.000 0.810 596 E CB 0.110 29.977 29.700 0.278 0.000 0.742 596 E HN 0.097 nan 8.360 nan 0.000 0.466 597 V N 0.235 120.200 119.914 0.085 0.000 2.407 597 V HA -0.152 3.967 4.120 -0.000 0.000 0.245 597 V C 2.368 178.435 176.094 -0.044 0.000 1.041 597 V CA 1.383 63.612 62.300 -0.117 0.000 1.040 597 V CB -0.276 31.537 31.823 -0.017 0.000 0.671 597 V HN 0.153 nan 8.190 nan 0.000 0.455 598 S N 0.326 116.057 115.700 0.051 0.000 2.356 598 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 598 S C 1.917 176.565 174.600 0.080 0.000 1.032 598 S CA 1.373 59.619 58.200 0.076 0.000 1.005 598 S CB -0.375 62.883 63.200 0.097 0.000 0.867 598 S HN 0.313 nan 8.310 nan 0.000 0.449 599 L N 1.679 122.955 121.223 0.088 0.000 2.042 599 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 599 L C 2.598 179.508 176.870 0.067 0.000 1.076 599 L CA 1.744 56.641 54.840 0.096 0.000 0.749 599 L CB -1.443 40.677 42.059 0.101 0.000 0.893 599 L HN 0.310 nan 8.230 nan 0.000 0.432 600 A N -0.768 122.066 122.820 0.024 0.000 1.933 600 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 600 A C 2.325 179.899 177.584 -0.016 0.000 1.175 600 A CA 1.841 53.867 52.037 -0.017 0.000 0.628 600 A CB -0.640 18.245 19.000 -0.192 0.000 0.814 600 A HN 0.410 nan 8.150 nan 0.000 0.444 601 I N -0.831 119.739 120.570 0.001 0.000 2.193 601 I HA -0.218 3.951 4.170 -0.000 0.000 0.240 601 I C 2.478 178.626 176.117 0.051 0.000 1.084 601 I CA 1.508 62.839 61.300 0.051 0.000 1.365 601 I CB -0.439 37.647 38.000 0.143 0.000 1.064 601 I HN 0.366 nan 8.210 nan 0.000 0.410 602 E N 0.797 121.043 120.200 0.076 0.000 2.118 602 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 602 E C 1.297 177.937 176.600 0.068 0.000 0.992 602 E CA 1.052 57.505 56.400 0.088 0.000 0.804 602 E CB -0.047 29.733 29.700 0.133 0.000 0.741 602 E HN 0.453 nan 8.360 nan 0.000 0.458 603 N N -1.004 117.731 118.700 0.059 0.000 2.270 603 N HA 0.048 4.787 4.740 -0.000 0.000 0.198 603 N C 0.667 176.195 175.510 0.029 0.000 1.117 603 N CA 0.817 53.897 53.050 0.049 0.000 0.845 603 N CB 1.660 40.182 38.487 0.058 0.000 0.980 603 N HN 0.260 nan 8.380 nan 0.000 0.486 604 G N 0.805 109.613 108.800 0.013 0.000 2.179 604 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.220 604 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.220 604 G C 0.818 175.718 174.900 -0.000 0.000 0.990 604 G CA -0.083 45.016 45.100 -0.002 0.000 0.646 604 G HN 0.233 nan 8.290 nan 0.000 0.517 605 I N 0.638 121.214 120.570 0.010 0.000 2.400 605 I HA 0.312 4.482 4.170 -0.000 0.000 0.248 605 I C 1.379 177.492 176.117 -0.007 0.000 1.109 605 I CA 0.910 62.224 61.300 0.023 0.000 1.425 605 I CB 0.067 38.110 38.000 0.071 0.000 1.094 605 I HN 0.242 nan 8.210 nan 0.000 0.425 606 I N 2.170 122.716 120.570 -0.040 0.000 2.354 606 I HA 0.237 4.406 4.170 -0.000 0.000 0.286 606 I C -0.724 175.359 176.117 -0.056 0.000 1.007 606 I CA -0.343 60.931 61.300 -0.043 0.000 1.167 606 I CB 0.352 38.300 38.000 -0.086 0.000 1.320 606 I HN 0.140 nan 8.210 nan 0.000 0.458 607 N N 7.596 126.232 118.700 -0.106 0.000 2.319 607 N HA 0.343 5.083 4.740 -0.000 0.000 0.305 607 N C -2.133 173.108 175.510 -0.448 0.000 1.103 607 N CA -1.568 51.330 53.050 -0.253 0.000 0.815 607 N CB 2.077 40.473 38.487 -0.152 0.000 1.288 607 N HN 0.147 nan 8.380 nan 0.000 0.493 608 P HA -0.078 nan 4.420 nan 0.000 0.216 608 P C 0.865 178.003 177.300 -0.271 0.000 1.150 608 P CA 1.363 63.955 63.100 -0.847 0.000 0.843 608 P CB 0.394 31.694 31.700 -0.667 0.000 0.787 609 R N -1.115 119.277 120.500 -0.181 0.000 2.317 609 R HA 0.167 4.507 4.340 -0.000 0.000 0.208 609 R C 0.221 176.505 176.300 -0.027 0.000 0.914 609 R CA 0.070 56.128 56.100 -0.070 0.000 1.060 609 R CB -1.055 29.209 30.300 -0.060 0.000 1.015 609 R HN 0.310 nan 8.270 nan 0.000 0.498 610 D N 1.671 122.049 120.400 -0.036 0.000 2.362 610 D HA -0.073 4.567 4.640 -0.000 0.000 0.238 610 D C -0.070 176.260 176.300 0.051 0.000 1.212 610 D CA 0.140 54.139 54.000 -0.002 0.000 0.902 610 D CB 0.551 41.344 40.800 -0.011 0.000 1.180 610 D HN 0.007 nan 8.370 nan 0.000 0.445 611 D N -0.045 120.379 120.400 0.040 0.000 2.434 611 D HA -0.084 4.555 4.640 -0.000 0.000 0.252 611 D C 1.316 177.645 176.300 0.049 0.000 1.185 611 D CA -0.219 53.821 54.000 0.067 0.000 0.886 611 D CB 0.013 40.812 40.800 -0.003 0.000 1.148 611 D HN 0.348 nan 8.370 nan 0.000 0.483 612 F N 3.705 123.675 119.950 0.034 0.000 2.192 612 F HA -0.162 4.365 4.527 -0.000 0.000 0.301 612 F C 1.911 177.733 175.800 0.038 0.000 1.079 612 F CA 1.113 59.142 58.000 0.047 0.000 1.303 612 F CB -0.284 38.753 39.000 0.061 0.000 1.024 612 F HN 0.357 nan 8.300 nan 0.000 0.494 613 K N 1.109 120.797 120.400 -1.188 0.000 1.991 613 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 613 K C 2.421 178.809 176.600 -0.354 0.000 1.045 613 K CA 1.213 56.957 56.287 -0.905 0.000 0.937 613 K CB -0.613 31.409 32.500 -0.797 0.000 0.720 613 K HN 0.306 nan 8.250 nan 0.000 0.438 614 A N 1.653 124.331 122.820 -0.237 0.000 1.933 614 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 614 A C 2.170 179.709 177.584 -0.075 0.000 1.175 614 A CA 1.694 53.660 52.037 -0.117 0.000 0.628 614 A CB -0.620 18.333 19.000 -0.078 0.000 0.814 614 A HN 0.452 nan 8.150 nan 0.000 0.444 615 R N -0.346 120.113 120.500 -0.068 0.000 2.081 615 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 615 R C 2.246 178.522 176.300 -0.039 0.000 1.131 615 R CA 1.490 57.572 56.100 -0.029 0.000 0.960 615 R CB -0.417 29.892 30.300 0.015 0.000 0.856 615 R HN 0.419 nan 8.270 nan 0.000 0.436 616 A N 1.052 123.843 122.820 -0.048 0.000 1.972 616 A HA -0.097 4.222 4.320 -0.000 0.000 0.219 616 A C 2.114 179.699 177.584 0.001 0.000 1.169 616 A CA 0.919 52.944 52.037 -0.020 0.000 0.635 616 A CB -0.402 18.604 19.000 0.011 0.000 0.810 616 A HN 0.234 nan 8.150 nan 0.000 0.446 617 R N -0.438 120.050 120.500 -0.021 0.000 2.096 617 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 617 R C 1.979 178.300 176.300 0.035 0.000 1.127 617 R CA 1.352 57.453 56.100 0.002 0.000 0.968 617 R CB -0.591 29.696 30.300 -0.021 0.000 0.861 617 R HN 0.640 nan 8.270 nan 0.000 0.440 618 I N 0.519 121.112 120.570 0.038 0.000 2.163 618 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 618 I C 2.496 178.719 176.117 0.177 0.000 1.081 618 I CA 1.255 62.612 61.300 0.095 0.000 1.353 618 I CB -0.218 37.839 38.000 0.095 0.000 1.054 618 I HN 0.120 nan 8.210 nan 0.000 0.407 619 M N 0.181 119.833 119.600 0.085 0.000 2.149 619 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 619 M C 2.420 178.851 176.300 0.218 0.000 1.064 619 M CA 1.969 57.294 55.300 0.042 0.000 1.102 619 M CB -0.501 31.885 32.600 -0.356 0.000 1.369 619 M HN 0.339 nan 8.290 nan 0.000 0.408 620 A N 0.366 123.295 122.820 0.181 0.000 1.850 620 A HA -0.111 4.209 4.320 -0.000 0.000 0.212 620 A C 1.712 179.384 177.584 0.147 0.000 1.208 620 A CA 1.477 53.637 52.037 0.205 0.000 0.609 620 A CB -0.528 18.561 19.000 0.148 0.000 0.860 620 A HN 0.342 nan 8.150 nan 0.000 0.448 621 D N 0.250 120.708 120.400 0.096 0.000 2.183 621 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 621 D C 0.908 177.220 176.300 0.021 0.000 0.969 621 D CA 1.220 55.251 54.000 0.052 0.000 0.842 621 D CB -0.212 40.606 40.800 0.030 0.000 0.957 621 D HN 0.450 nan 8.370 nan 0.000 0.484 622 D N -1.187 119.225 120.400 0.021 0.000 2.388 622 D HA 0.007 4.646 4.640 -0.000 0.000 0.208 622 D C 0.768 176.880 176.300 -0.312 0.000 1.035 622 D CA 0.278 54.187 54.000 -0.151 0.000 0.875 622 D CB 0.363 41.045 40.800 -0.198 0.000 0.984 622 D HN 0.286 nan 8.370 nan 0.000 0.508 623 Y N -0.091 120.264 120.300 0.092 0.000 2.557 623 Y HA 0.312 4.862 4.550 -0.000 0.000 0.247 623 Y C 1.565 177.602 175.900 0.229 0.000 1.164 623 Y CA -0.040 58.150 58.100 0.149 0.000 1.218 623 Y CB 1.233 39.778 38.460 0.141 0.000 1.210 623 Y HN -0.025 nan 8.280 nan 0.000 0.529 624 G N -0.702 108.258 108.800 0.266 0.000 2.155 624 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.257 624 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.257 624 G C -0.003 175.044 174.900 0.246 0.000 0.983 624 G CA -0.125 45.097 45.100 0.204 0.000 0.676 624 G HN 0.277 nan 8.290 nan 0.000 0.528 625 W N 0.545 121.895 121.300 0.083 0.000 2.161 625 W HA 0.520 5.180 4.660 -0.001 0.000 0.344 625 W C 0.680 177.220 176.519 0.036 0.000 1.262 625 W CA 0.060 57.437 57.345 0.054 0.000 1.270 625 W CB 0.452 29.946 29.460 0.057 0.000 1.126 625 W HN 0.229 nan 8.180 nan 0.000 0.598 626 D N 0.852 121.378 120.400 0.209 0.000 2.317 626 D HA 0.045 4.685 4.640 -0.000 0.000 0.252 626 D C 0.860 177.284 176.300 0.208 0.000 1.174 626 D CA -0.084 53.996 54.000 0.134 0.000 0.866 626 D CB 1.465 42.291 40.800 0.044 0.000 1.127 626 D HN 0.188 nan 8.370 nan 0.000 0.467 627 V N 3.605 123.613 119.914 0.156 0.000 2.568 627 V HA -0.231 3.889 4.120 -0.000 0.000 0.253 627 V C 1.773 177.953 176.094 0.144 0.000 1.072 627 V CA 2.366 64.752 62.300 0.143 0.000 1.084 627 V CB -0.422 31.456 31.823 0.091 0.000 0.676 627 V HN 0.810 nan 8.190 nan 0.000 0.469 628 T N -0.532 114.095 114.554 0.123 0.000 2.812 628 T HA -0.128 4.221 4.350 -0.000 0.000 0.264 628 T C 1.588 176.371 174.700 0.138 0.000 1.042 628 T CA 1.458 63.628 62.100 0.116 0.000 1.140 628 T CB -0.338 68.575 68.868 0.074 0.000 0.870 628 T HN 0.517 nan 8.240 nan 0.000 0.445 629 D N 1.441 121.932 120.400 0.153 0.000 2.104 629 D HA -0.044 4.596 4.640 -0.000 0.000 0.194 629 D C 2.345 178.827 176.300 0.303 0.000 0.994 629 D CA 1.345 55.460 54.000 0.192 0.000 0.830 629 D CB -0.465 40.440 40.800 0.176 0.000 0.959 629 D HN 0.383 nan 8.370 nan 0.000 0.452 630 A N 0.982 124.017 122.820 0.357 0.000 1.877 630 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 630 A C 2.142 179.825 177.584 0.167 0.000 1.186 630 A CA 1.349 53.498 52.037 0.187 0.000 0.620 630 A CB -0.505 18.556 19.000 0.101 0.000 0.822 630 A HN 0.147 nan 8.150 nan 0.000 0.443 631 R N -0.306 120.326 120.500 0.219 0.000 2.193 631 R HA -0.057 4.282 4.340 -0.000 0.000 0.229 631 R C 0.927 177.422 176.300 0.323 0.000 1.110 631 R CA 1.312 57.634 56.100 0.371 0.000 0.988 631 R CB -0.175 30.351 30.300 0.377 0.000 0.871 631 R HN 0.406 nan 8.270 nan 0.000 0.458 632 K N 1.155 121.679 120.400 0.207 0.000 2.493 632 K HA 0.093 4.413 4.320 -0.000 0.000 0.207 632 K C -0.041 176.646 176.600 0.146 0.000 1.033 632 K CA -0.332 56.051 56.287 0.161 0.000 1.161 632 K CB 0.204 32.752 32.500 0.080 0.000 0.873 632 K HN 0.103 nan 8.250 nan 0.000 0.491 633 I N -1.873 118.784 120.570 0.145 0.000 2.618 633 I HA -0.004 4.166 4.170 -0.000 0.000 0.284 633 I C 0.532 176.795 176.117 0.244 0.000 1.146 633 I CA 0.021 61.368 61.300 0.079 0.000 1.425 633 I CB 0.471 38.423 38.000 -0.080 0.000 1.383 633 I HN 0.064 nan 8.210 nan 0.000 0.562 634 W N 6.194 127.452 121.300 -0.071 0.000 2.640 634 W HA 0.268 4.928 4.660 -0.001 0.000 0.268 634 W C 0.596 177.121 176.519 0.009 0.000 1.263 634 W CA 0.412 57.730 57.345 -0.044 0.000 1.344 634 W CB -0.249 29.165 29.460 -0.077 0.000 1.093 634 W HN 0.952 nan 8.180 nan 0.000 0.603 635 C N -3.716 115.715 119.300 0.217 0.000 3.231 635 C HA 0.592 5.051 4.460 -0.000 0.000 0.343 635 C C -0.753 174.400 174.990 0.273 0.000 1.349 635 C CA -1.940 57.250 59.018 0.287 0.000 1.209 635 C CB 0.383 28.286 27.740 0.271 0.000 1.475 635 C HN -0.079 nan 8.230 nan 0.000 0.460 636 F N 0.685 120.753 119.950 0.197 0.000 2.523 636 F HA 0.834 5.361 4.527 -0.001 0.000 0.329 636 F C 0.967 176.925 175.800 0.263 0.000 1.061 636 F CA 0.441 58.574 58.000 0.222 0.000 0.967 636 F CB 2.590 41.660 39.000 0.115 0.000 1.218 636 F HN 1.175 nan 8.300 nan 0.000 0.480 637 G N 1.287 110.322 108.800 0.392 0.000 2.698 637 G HA2 0.604 4.563 3.960 -0.000 0.000 0.293 637 G HA3 0.604 4.563 3.960 -0.000 0.000 0.293 637 G C -3.361 171.547 174.900 0.014 0.000 1.437 637 G CA -1.432 43.750 45.100 0.137 0.000 0.852 637 G HN 0.231 nan 8.290 nan 0.000 0.499 638 P HA 0.270 nan 4.420 nan 0.000 0.293 638 P C -0.597 176.722 177.300 0.031 0.000 1.304 638 P CA -0.017 63.066 63.100 -0.027 0.000 0.767 638 P CB 0.907 32.574 31.700 -0.056 0.000 1.247 639 D N -2.029 118.387 120.400 0.026 0.000 2.955 639 D HA -0.215 4.425 4.640 -0.000 0.000 0.226 639 D C 1.103 177.431 176.300 0.047 0.000 1.178 639 D CA 1.659 55.675 54.000 0.027 0.000 0.808 639 D CB -1.958 38.850 40.800 0.013 0.000 1.099 639 D HN 0.853 nan 8.370 nan 0.000 0.421 640 G N 1.044 109.899 108.800 0.092 0.000 2.189 640 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.267 640 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.267 640 G C 0.611 175.574 174.900 0.105 0.000 0.975 640 G CA 1.195 46.366 45.100 0.118 0.000 0.644 640 G HN 0.717 nan 8.290 nan 0.000 0.537 641 N N -0.339 118.412 118.700 0.084 0.000 2.116 641 N HA 0.381 5.121 4.740 -0.000 0.000 0.230 641 N C 0.935 176.513 175.510 0.114 0.000 1.326 641 N CA 0.850 53.907 53.050 0.013 0.000 0.867 641 N CB -0.213 38.236 38.487 -0.063 0.000 1.174 641 N HN 0.730 nan 8.380 nan 0.000 0.506 642 G N 1.021 109.922 108.800 0.167 0.000 2.634 642 G HA2 0.313 4.273 3.960 -0.000 0.000 0.255 642 G HA3 0.313 4.273 3.960 -0.000 0.000 0.255 642 G C -2.087 172.948 174.900 0.226 0.000 1.205 642 G CA -1.141 44.046 45.100 0.145 0.000 0.884 642 G HN 0.088 nan 8.290 nan 0.000 0.549 643 P HA 0.139 nan 4.420 nan 0.000 0.220 643 P C -0.874 176.499 177.300 0.122 0.000 1.778 643 P CA -0.009 63.179 63.100 0.146 0.000 0.912 643 P CB -0.199 31.561 31.700 0.101 0.000 1.861 644 N N 0.970 119.766 118.700 0.159 0.000 2.331 644 N HA 0.477 5.217 4.740 -0.000 0.000 0.280 644 N C -0.833 174.863 175.510 0.310 0.000 1.155 644 N CA -0.464 52.713 53.050 0.210 0.000 0.822 644 N CB 2.292 40.845 38.487 0.110 0.000 1.619 644 N HN 0.036 nan 8.380 nan 0.000 0.476 645 L N 0.493 121.894 121.223 0.296 0.000 2.393 645 L HA 0.639 4.979 4.340 -0.000 0.000 0.260 645 L C -0.746 175.983 176.870 -0.234 0.000 1.002 645 L CA -1.053 53.795 54.840 0.014 0.000 0.818 645 L CB 2.541 44.495 42.059 -0.176 0.000 1.369 645 L HN 0.109 nan 8.230 nan 0.000 0.412 646 V N 2.764 122.379 119.914 -0.499 0.000 2.409 646 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 646 V C -0.588 175.333 176.094 -0.289 0.000 1.020 646 V CA -0.351 61.602 62.300 -0.579 0.000 0.848 646 V CB 1.774 33.163 31.823 -0.723 0.000 0.990 646 V HN 0.370 nan 8.190 nan 0.000 0.430 647 I N 3.841 124.257 120.570 -0.256 0.000 2.474 647 I HA 0.411 4.581 4.170 -0.000 0.000 0.294 647 I C -0.202 175.677 176.117 -0.395 0.000 1.005 647 I CA -0.549 60.625 61.300 -0.209 0.000 1.113 647 I CB 1.837 39.816 38.000 -0.036 0.000 1.289 647 I HN 0.620 nan 8.210 nan 0.000 0.436 648 D N 5.151 125.228 120.400 -0.538 0.000 2.313 648 D HA 0.248 4.888 4.640 -0.000 0.000 0.239 648 D C -0.320 175.796 176.300 -0.308 0.000 1.142 648 D CA 0.058 53.665 54.000 -0.656 0.000 0.847 648 D CB 0.801 41.014 40.800 -0.978 0.000 1.082 648 D HN 0.487 nan 8.370 nan 0.000 0.480 649 Q N 2.405 122.055 119.800 -0.250 0.000 2.141 649 Q HA 0.152 4.492 4.340 -0.000 0.000 0.248 649 Q C -0.089 175.840 176.000 -0.119 0.000 0.834 649 Q CA -0.366 55.350 55.803 -0.146 0.000 1.096 649 Q CB 0.809 29.473 28.738 -0.123 0.000 1.189 649 Q HN 0.626 nan 8.270 nan 0.000 0.471 650 T N -2.948 111.529 114.554 -0.129 0.000 2.913 650 T HA 0.352 4.702 4.350 -0.000 0.000 0.287 650 T C 0.768 175.439 174.700 -0.048 0.000 1.008 650 T CA -0.534 61.518 62.100 -0.080 0.000 1.067 650 T CB 2.071 70.899 68.868 -0.066 0.000 0.996 650 T HN 0.027 nan 8.240 nan 0.000 0.513 651 K N 0.968 121.345 120.400 -0.038 0.000 2.273 651 K HA 0.433 4.752 4.320 -0.000 0.000 0.206 651 K C 1.168 177.757 176.600 -0.018 0.000 1.072 651 K CA 0.315 56.585 56.287 -0.027 0.000 0.953 651 K CB 0.439 32.918 32.500 -0.035 0.000 1.043 651 K HN 0.672 nan 8.250 nan 0.000 0.477 652 A N 1.627 124.434 122.820 -0.021 0.000 3.129 652 A HA 0.323 4.643 4.320 -0.000 0.000 0.282 652 A C -0.730 176.841 177.584 -0.021 0.000 0.948 652 A CA -0.448 51.576 52.037 -0.022 0.000 1.027 652 A CB 0.406 19.388 19.000 -0.030 0.000 1.123 652 A HN -0.022 nan 8.150 nan 0.000 0.485 653 V N 1.583 121.497 119.914 0.001 0.000 2.385 653 V HA 0.060 4.179 4.120 -0.000 0.000 0.269 653 V C 1.307 177.393 176.094 -0.013 0.000 1.043 653 V CA 0.027 62.336 62.300 0.015 0.000 0.906 653 V CB 0.836 32.697 31.823 0.064 0.000 0.995 653 V HN 0.870 nan 8.190 nan 0.000 0.467 654 Q N 3.275 123.003 119.800 -0.120 0.000 2.002 654 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 654 Q C 0.231 176.057 176.000 -0.290 0.000 0.988 654 Q CA 1.981 57.588 55.803 -0.327 0.000 0.843 654 Q CB -0.033 28.287 28.738 -0.696 0.000 0.908 654 Q HN 0.867 nan 8.270 nan 0.000 0.420 655 Y N 0.055 120.423 120.300 0.113 0.000 2.867 655 Y HA 0.093 4.642 4.550 -0.000 0.000 0.351 655 Y C 0.909 176.820 175.900 0.018 0.000 1.046 655 Y CA -0.428 57.705 58.100 0.055 0.000 1.520 655 Y CB -0.064 38.384 38.460 -0.020 0.000 1.337 655 Y HN 0.123 nan 8.280 nan 0.000 0.525 656 L N 0.930 122.300 121.223 0.246 0.000 1.976 656 L HA -0.226 4.113 4.340 -0.000 0.000 0.209 656 L C 2.918 179.906 176.870 0.197 0.000 1.071 656 L CA 2.027 57.024 54.840 0.263 0.000 0.746 656 L CB -0.740 41.502 42.059 0.304 0.000 0.890 656 L HN 0.569 nan 8.230 nan 0.000 0.432 657 H N -0.639 118.486 119.070 0.092 0.000 2.431 657 H HA -0.198 4.358 4.556 -0.000 0.000 0.297 657 H C 1.569 176.883 175.328 -0.023 0.000 1.115 657 H CA 1.925 57.968 56.048 -0.008 0.000 1.277 657 H CB -0.822 28.937 29.762 -0.006 0.000 1.372 657 H HN 0.588 nan 8.280 nan 0.000 0.516 658 E N 0.851 120.738 120.200 -0.522 0.000 2.358 658 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 658 E C 2.165 178.684 176.600 -0.136 0.000 1.010 658 E CA 0.904 57.103 56.400 -0.335 0.000 0.856 658 E CB 0.112 29.598 29.700 -0.356 0.000 0.795 658 E HN 0.759 nan 8.360 nan 0.000 0.504 659 I N -2.218 118.317 120.570 -0.059 0.000 3.968 659 I HA 0.147 4.316 4.170 -0.000 0.000 0.328 659 I C 2.044 178.166 176.117 0.008 0.000 1.290 659 I CA -0.123 61.185 61.300 0.013 0.000 1.163 659 I CB 0.175 38.231 38.000 0.094 0.000 1.024 659 I HN -0.165 nan 8.210 nan 0.000 0.413 660 K N 1.928 122.247 120.400 -0.135 0.000 2.034 660 K HA -0.250 4.070 4.320 -0.000 0.000 0.214 660 K C 1.506 177.981 176.600 -0.209 0.000 1.051 660 K CA 2.582 58.619 56.287 -0.418 0.000 0.931 660 K CB -0.120 31.904 32.500 -0.794 0.000 0.715 660 K HN 0.361 nan 8.250 nan 0.000 0.446 661 D N -0.071 120.242 120.400 -0.145 0.000 2.123 661 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 661 D C 2.017 178.319 176.300 0.004 0.000 0.992 661 D CA 1.164 55.123 54.000 -0.068 0.000 0.833 661 D CB -0.219 40.545 40.800 -0.059 0.000 0.954 661 D HN 0.163 nan 8.370 nan 0.000 0.455 662 S N -0.126 115.587 115.700 0.021 0.000 2.368 662 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 662 S C 2.339 177.007 174.600 0.112 0.000 1.029 662 S CA 0.506 58.746 58.200 0.066 0.000 0.988 662 S CB -0.132 63.104 63.200 0.059 0.000 0.838 662 S HN 0.088 nan 8.310 nan 0.000 0.462 663 V N 1.489 121.488 119.914 0.141 0.000 2.295 663 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 663 V C 2.326 178.550 176.094 0.217 0.000 1.049 663 V CA 1.404 63.827 62.300 0.205 0.000 1.024 663 V CB -0.810 31.228 31.823 0.358 0.000 0.648 663 V HN 0.322 nan 8.190 nan 0.000 0.447 664 V N 0.397 120.425 119.914 0.190 0.000 2.287 664 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 664 V C 2.754 178.981 176.094 0.221 0.000 1.053 664 V CA 2.193 64.613 62.300 0.201 0.000 1.027 664 V CB -1.201 30.686 31.823 0.106 0.000 0.646 664 V HN 0.565 nan 8.190 nan 0.000 0.447 665 A N -0.095 122.820 122.820 0.158 0.000 1.908 665 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 665 A C 2.401 180.121 177.584 0.227 0.000 1.181 665 A CA 2.265 54.393 52.037 0.152 0.000 0.627 665 A CB -0.807 18.254 19.000 0.103 0.000 0.818 665 A HN 0.608 nan 8.150 nan 0.000 0.445 666 A N -1.649 121.313 122.820 0.236 0.000 1.969 666 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 666 A C 1.995 179.717 177.584 0.229 0.000 1.169 666 A CA 1.522 53.702 52.037 0.238 0.000 0.635 666 A CB -0.623 18.460 19.000 0.137 0.000 0.810 666 A HN 0.578 nan 8.150 nan 0.000 0.445 667 F N 0.648 120.644 119.950 0.077 0.000 2.146 667 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 667 F C 2.447 178.299 175.800 0.086 0.000 1.096 667 F CA 1.808 59.840 58.000 0.053 0.000 1.275 667 F CB -0.182 38.864 39.000 0.078 0.000 1.008 667 F HN 0.198 nan 8.300 nan 0.000 0.480 668 Q N -0.805 119.111 119.800 0.193 0.000 2.135 668 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 668 Q C 2.091 178.151 176.000 0.101 0.000 0.981 668 Q CA 1.528 57.382 55.803 0.085 0.000 0.856 668 Q CB -1.213 27.591 28.738 0.109 0.000 0.902 668 Q HN 0.604 nan 8.270 nan 0.000 0.425 669 W N 0.999 122.262 121.300 -0.062 0.000 2.407 669 W HA 0.054 4.714 4.660 -0.001 0.000 0.305 669 W C 2.213 178.667 176.519 -0.108 0.000 1.196 669 W CA 1.464 58.769 57.345 -0.067 0.000 1.311 669 W CB -0.718 28.716 29.460 -0.043 0.000 1.135 669 W HN 0.112 nan 8.180 nan 0.000 0.514 670 A N 0.075 122.862 122.820 -0.056 0.000 1.902 670 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 670 A C 2.014 179.490 177.584 -0.180 0.000 1.181 670 A CA 3.147 55.029 52.037 -0.259 0.000 0.623 670 A CB -1.456 17.286 19.000 -0.429 0.000 0.818 670 A HN 0.349 nan 8.150 nan 0.000 0.443 671 T N -2.684 111.662 114.554 -0.347 0.000 2.995 671 T HA -0.035 4.315 4.350 -0.000 0.000 0.269 671 T C 1.716 176.300 174.700 -0.193 0.000 1.091 671 T CA 1.569 63.449 62.100 -0.365 0.000 1.128 671 T CB -0.058 68.451 68.868 -0.598 0.000 0.891 671 T HN 0.341 nan 8.240 nan 0.000 0.492 672 K N 2.084 122.427 120.400 -0.096 0.000 2.116 672 K HA 0.101 4.420 4.320 -0.000 0.000 0.203 672 K C 1.125 177.703 176.600 -0.037 0.000 1.052 672 K CA 0.856 57.118 56.287 -0.041 0.000 0.952 672 K CB 0.080 32.594 32.500 0.023 0.000 0.729 672 K HN 0.569 nan 8.250 nan 0.000 0.446 673 E N 0.358 120.565 120.200 0.012 0.000 2.489 673 E HA 0.265 4.615 4.350 -0.000 0.000 0.232 673 E C -0.598 175.950 176.600 -0.088 0.000 0.990 673 E CA -0.632 55.756 56.400 -0.020 0.000 0.768 673 E CB 0.423 30.180 29.700 0.094 0.000 1.270 673 E HN 0.362 nan 8.360 nan 0.000 0.423 674 G N 3.552 112.219 108.800 -0.223 0.000 2.630 674 G HA2 0.041 4.001 3.960 -0.000 0.000 0.236 674 G HA3 0.041 4.001 3.960 -0.000 0.000 0.236 674 G C -1.362 173.237 174.900 -0.501 0.000 1.248 674 G CA -0.826 44.042 45.100 -0.387 0.000 0.844 674 G HN 0.468 nan 8.290 nan 0.000 0.588 675 P HA 0.017 nan 4.420 nan 0.000 0.236 675 P C 1.751 178.912 177.300 -0.232 0.000 1.177 675 P CA 0.385 63.067 63.100 -0.697 0.000 0.773 675 P CB 0.360 31.509 31.700 -0.919 0.000 0.878 676 I N -0.189 120.332 120.570 -0.082 0.000 2.163 676 I HA -0.140 4.029 4.170 -0.000 0.000 0.240 676 I C 1.686 177.990 176.117 0.312 0.000 1.081 676 I CA 1.842 63.250 61.300 0.179 0.000 1.353 676 I CB -0.308 37.898 38.000 0.344 0.000 1.054 676 I HN -0.042 nan 8.210 nan 0.000 0.407 677 F N -2.039 117.869 119.950 -0.070 0.000 2.939 677 F HA 0.518 5.045 4.527 -0.001 0.000 0.327 677 F C 0.650 176.426 175.800 -0.040 0.000 1.276 677 F CA -0.099 57.883 58.000 -0.031 0.000 0.973 677 F CB -0.203 38.809 39.000 0.019 0.000 1.460 677 F HN 0.016 nan 8.300 nan 0.000 0.499 678 G N 0.252 108.907 108.800 -0.242 0.000 2.157 678 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 678 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 678 G C -0.020 174.656 174.900 -0.374 0.000 0.979 678 G CA 0.143 45.073 45.100 -0.284 0.000 0.650 678 G HN 0.413 nan 8.290 nan 0.000 0.529 679 E N 0.775 120.629 120.200 -0.576 0.000 2.345 679 E HA 0.375 4.724 4.350 -0.000 0.000 0.259 679 E C 0.704 177.135 176.600 -0.282 0.000 1.117 679 E CA -0.430 55.702 56.400 -0.448 0.000 0.913 679 E CB 0.620 29.987 29.700 -0.555 0.000 1.057 679 E HN 0.592 nan 8.360 nan 0.000 0.432 680 E N 0.855 120.928 120.200 -0.211 0.000 2.404 680 E HA 0.077 4.426 4.350 -0.000 0.000 0.261 680 E C 0.123 176.605 176.600 -0.196 0.000 1.074 680 E CA 0.079 56.370 56.400 -0.183 0.000 0.917 680 E CB 0.649 30.258 29.700 -0.152 0.000 0.965 680 E HN 0.235 nan 8.360 nan 0.000 0.433 681 M N 1.701 121.193 119.600 -0.180 0.000 2.227 681 M HA 0.335 4.814 4.480 -0.000 0.000 0.316 681 M C 0.155 176.384 176.300 -0.119 0.000 1.144 681 M CA 0.181 55.406 55.300 -0.125 0.000 1.121 681 M CB 0.948 33.476 32.600 -0.119 0.000 1.440 681 M HN 0.381 nan 8.290 nan 0.000 0.473 682 R N -0.633 119.831 120.500 -0.059 0.000 2.561 682 R HA 0.260 4.600 4.340 -0.000 0.000 0.266 682 R C -0.870 175.437 176.300 0.013 0.000 1.091 682 R CA -0.126 55.926 56.100 -0.078 0.000 0.927 682 R CB 1.373 31.525 30.300 -0.246 0.000 1.240 682 R HN 0.786 nan 8.270 nan 0.000 0.449 683 S N 0.477 116.204 115.700 0.044 0.000 3.635 683 S HA -0.126 4.344 4.470 -0.000 0.000 0.328 683 S C -0.501 174.160 174.600 0.101 0.000 1.135 683 S CA 0.949 59.196 58.200 0.078 0.000 0.942 683 S CB -1.192 62.047 63.200 0.065 0.000 0.930 683 S HN 0.371 nan 8.310 nan 0.000 0.512 684 V N 1.564 121.558 119.914 0.133 0.000 2.370 684 V HA 0.545 4.664 4.120 -0.000 0.000 0.283 684 V C 0.425 176.645 176.094 0.209 0.000 1.023 684 V CA -0.587 61.818 62.300 0.175 0.000 0.857 684 V CB 1.686 33.660 31.823 0.252 0.000 0.985 684 V HN 0.435 nan 8.190 nan 0.000 0.443 685 R N 3.788 124.378 120.500 0.150 0.000 2.514 685 R HA 0.778 5.118 4.340 -0.000 0.000 0.301 685 R C -1.785 174.562 176.300 0.079 0.000 0.962 685 R CA -0.417 55.757 56.100 0.124 0.000 0.882 685 R CB 1.936 32.275 30.300 0.065 0.000 1.143 685 R HN 0.510 nan 8.270 nan 0.000 0.452 686 V N 4.801 124.734 119.914 0.032 0.000 2.444 686 V HA 0.341 4.461 4.120 -0.000 0.000 0.294 686 V C -0.825 175.198 176.094 -0.119 0.000 1.022 686 V CA -0.995 61.292 62.300 -0.023 0.000 0.850 686 V CB 1.820 33.639 31.823 -0.006 0.000 0.992 686 V HN 0.798 nan 8.190 nan 0.000 0.426 687 N N 5.074 123.711 118.700 -0.104 0.000 2.424 687 N HA 0.502 5.242 4.740 -0.000 0.000 0.271 687 N C -0.574 174.855 175.510 -0.135 0.000 0.985 687 N CA -0.337 52.631 53.050 -0.138 0.000 0.921 687 N CB 2.384 40.799 38.487 -0.121 0.000 1.149 687 N HN 0.552 nan 8.380 nan 0.000 0.492 688 I N 3.310 123.760 120.570 -0.200 0.000 2.363 688 I HA 0.054 4.223 4.170 -0.000 0.000 0.292 688 I C 1.570 177.609 176.117 -0.130 0.000 1.075 688 I CA -0.169 61.027 61.300 -0.174 0.000 1.333 688 I CB 0.747 38.571 38.000 -0.294 0.000 1.415 688 I HN 0.384 nan 8.210 nan 0.000 0.502 689 L N 4.347 125.539 121.223 -0.051 0.000 2.162 689 L HA 0.168 4.508 4.340 -0.000 0.000 0.205 689 L C 0.299 177.142 176.870 -0.046 0.000 1.086 689 L CA 0.822 55.634 54.840 -0.046 0.000 0.778 689 L CB -0.099 41.950 42.059 -0.017 0.000 0.928 689 L HN 0.640 nan 8.230 nan 0.000 0.446 690 D N -1.960 118.454 120.400 0.024 0.000 2.685 690 D HA 0.412 5.052 4.640 -0.000 0.000 0.236 690 D C -1.531 174.879 176.300 0.182 0.000 1.233 690 D CA -0.218 53.797 54.000 0.025 0.000 0.760 690 D CB 2.212 42.923 40.800 -0.148 0.000 1.410 690 D HN -0.292 nan 8.370 nan 0.000 0.439 691 V N 1.446 121.442 119.914 0.137 0.000 2.686 691 V HA 0.678 4.797 4.120 -0.000 0.000 0.306 691 V C -0.352 175.839 176.094 0.161 0.000 1.065 691 V CA -0.756 61.646 62.300 0.170 0.000 0.894 691 V CB 1.870 33.767 31.823 0.122 0.000 1.004 691 V HN 0.749 nan 8.190 nan 0.000 0.424 692 T N 3.396 118.064 114.554 0.190 0.000 2.791 692 T HA 0.826 5.176 4.350 -0.000 0.000 0.288 692 T C -0.737 174.057 174.700 0.157 0.000 0.999 692 T CA -0.515 61.684 62.100 0.164 0.000 0.952 692 T CB 0.846 69.826 68.868 0.186 0.000 0.938 692 T HN 0.360 nan 8.240 nan 0.000 0.444 693 L N 2.038 123.362 121.223 0.168 0.000 2.313 693 L HA 0.583 4.922 4.340 -0.000 0.000 0.268 693 L C 0.260 177.251 176.870 0.202 0.000 1.010 693 L CA -1.553 53.399 54.840 0.187 0.000 0.814 693 L CB 1.395 43.579 42.059 0.208 0.000 1.304 693 L HN 0.715 nan 8.230 nan 0.000 0.441 694 H N 0.067 119.198 119.070 0.101 0.000 2.629 694 H HA 0.257 4.812 4.556 -0.000 0.000 0.357 694 H C 0.686 176.034 175.328 0.033 0.000 1.121 694 H CA 0.445 56.535 56.048 0.071 0.000 1.406 694 H CB 1.758 31.520 29.762 0.000 0.000 1.456 694 H HN 0.673 nan 8.280 nan 0.000 0.579 695 A N 3.591 126.043 122.820 -0.614 0.000 1.933 695 A HA -0.094 4.225 4.320 -0.000 0.000 0.218 695 A C 0.362 177.722 177.584 -0.373 0.000 1.175 695 A CA 1.454 53.293 52.037 -0.330 0.000 0.628 695 A CB -0.245 18.588 19.000 -0.278 0.000 0.814 695 A HN 0.811 nan 8.150 nan 0.000 0.444 696 D N -0.293 119.946 120.400 -0.268 0.000 2.249 696 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 696 D C 0.996 177.282 176.300 -0.023 0.000 1.114 696 D CA 0.510 54.481 54.000 -0.047 0.000 0.854 696 D CB 1.546 42.412 40.800 0.111 0.000 1.132 696 D HN 0.174 nan 8.370 nan 0.000 0.461 697 A N 3.528 126.257 122.820 -0.151 0.000 2.024 697 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 697 A C 1.305 178.845 177.584 -0.073 0.000 1.164 697 A CA 0.485 52.440 52.037 -0.138 0.000 0.643 697 A CB -0.453 18.456 19.000 -0.152 0.000 0.806 697 A HN 0.710 nan 8.150 nan 0.000 0.451 701 G N -0.513 108.277 108.800 -0.016 0.000 2.554 701 G HA2 0.245 4.205 3.960 -0.000 0.000 0.238 701 G HA3 0.245 4.205 3.960 -0.000 0.000 0.238 701 G C 1.185 176.090 174.900 0.008 0.000 1.259 701 G CA 0.235 45.328 45.100 -0.013 0.000 0.843 701 G HN 0.201 nan 8.290 nan 0.000 0.582 702 G N 1.125 109.932 108.800 0.012 0.000 2.556 702 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 702 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 702 G C 1.844 176.773 174.900 0.049 0.000 1.156 702 G CA 1.475 46.595 45.100 0.033 0.000 0.766 702 G HN 1.126 nan 8.290 nan 0.000 0.583 703 G N -1.026 107.797 108.800 0.038 0.000 2.527 703 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.219 703 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.219 703 G C 1.778 176.706 174.900 0.046 0.000 1.117 703 G CA 1.185 46.313 45.100 0.047 0.000 0.759 703 G HN 0.439 nan 8.290 nan 0.000 0.556 704 Q N -0.653 119.170 119.800 0.037 0.000 2.481 704 Q HA 0.268 4.608 4.340 -0.000 0.000 0.219 704 Q C 2.661 178.686 176.000 0.042 0.000 0.920 704 Q CA 0.157 55.981 55.803 0.035 0.000 0.915 704 Q CB 0.142 28.894 28.738 0.023 0.000 1.057 704 Q HN 0.538 nan 8.270 nan 0.000 0.581 705 I N 0.597 121.196 120.570 0.047 0.000 2.584 705 I HA -0.112 4.058 4.170 -0.000 0.000 0.255 705 I C 2.118 178.272 176.117 0.062 0.000 1.145 705 I CA 0.512 61.845 61.300 0.054 0.000 1.462 705 I CB -0.049 37.987 38.000 0.061 0.000 1.102 705 I HN 0.071 nan 8.210 nan 0.000 0.433 706 I N 1.365 121.984 120.570 0.082 0.000 2.226 706 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 706 I C -0.412 175.747 176.117 0.071 0.000 1.100 706 I CA 1.678 63.047 61.300 0.116 0.000 1.374 706 I CB -1.461 36.649 38.000 0.184 0.000 1.057 706 I HN 0.155 nan 8.210 nan 0.000 0.413 707 P HA -0.087 nan 4.420 nan 0.000 0.217 707 P C 1.602 178.875 177.300 -0.045 0.000 1.151 707 P CA 1.411 64.499 63.100 -0.020 0.000 0.828 707 P CB -0.063 31.648 31.700 0.018 0.000 0.788 708 T N -0.381 114.167 114.554 -0.011 0.000 2.674 708 T HA -0.204 4.146 4.350 -0.000 0.000 0.265 708 T C 1.752 176.431 174.700 -0.034 0.000 1.039 708 T CA 1.665 63.754 62.100 -0.018 0.000 1.150 708 T CB -0.786 68.081 68.868 -0.001 0.000 0.864 708 T HN 0.039 nan 8.240 nan 0.000 0.427 709 M N 1.408 120.998 119.600 -0.017 0.000 2.117 709 M HA 0.007 4.486 4.480 -0.000 0.000 0.262 709 M C 2.172 178.414 176.300 -0.096 0.000 1.065 709 M CA 1.527 56.818 55.300 -0.015 0.000 1.114 709 M CB -0.449 32.178 32.600 0.046 0.000 1.361 709 M HN 0.087 nan 8.290 nan 0.000 0.408 710 R N -0.744 119.643 120.500 -0.190 0.000 2.092 710 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 710 R C 2.490 178.463 176.300 -0.544 0.000 1.119 710 R CA 1.576 57.388 56.100 -0.482 0.000 0.970 710 R CB -0.301 29.626 30.300 -0.621 0.000 0.864 710 R HN 0.441 nan 8.270 nan 0.000 0.440 711 R N -0.129 120.241 120.500 -0.217 0.000 2.075 711 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 711 R C 2.101 178.422 176.300 0.035 0.000 1.126 711 R CA 1.385 57.495 56.100 0.017 0.000 0.963 711 R CB -0.228 30.123 30.300 0.084 0.000 0.858 711 R HN 0.312 nan 8.270 nan 0.000 0.435 712 A N -0.177 122.631 122.820 -0.021 0.000 1.898 712 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 712 A C 2.137 179.734 177.584 0.021 0.000 1.181 712 A CA 1.911 53.954 52.037 0.011 0.000 0.620 712 A CB -0.808 18.177 19.000 -0.024 0.000 0.819 712 A HN 0.399 nan 8.150 nan 0.000 0.442 713 T N -0.946 113.578 114.554 -0.050 0.000 2.708 713 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 713 T C 1.766 176.502 174.700 0.060 0.000 1.037 713 T CA 1.732 63.832 62.100 0.000 0.000 1.146 713 T CB -0.460 68.385 68.868 -0.038 0.000 0.865 713 T HN 0.499 nan 8.240 nan 0.000 0.435 714 Y N 1.553 121.765 120.300 -0.147 0.000 2.165 714 Y HA -0.034 4.516 4.550 -0.000 0.000 0.286 714 Y C 2.712 178.500 175.900 -0.186 0.000 1.155 714 Y CA 0.151 58.045 58.100 -0.343 0.000 1.164 714 Y CB -1.316 36.639 38.460 -0.841 0.000 0.978 714 Y HN 0.220 nan 8.280 nan 0.000 0.513 715 A N -0.149 122.737 122.820 0.111 0.000 1.898 715 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 715 A C 2.677 180.390 177.584 0.215 0.000 1.181 715 A CA 1.658 53.858 52.037 0.272 0.000 0.620 715 A CB -1.380 17.849 19.000 0.382 0.000 0.819 715 A HN 0.438 nan 8.150 nan 0.000 0.442 716 G N -1.311 107.585 108.800 0.160 0.000 2.422 716 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.218 716 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.218 716 G C 1.453 176.410 174.900 0.095 0.000 1.146 716 G CA 1.079 46.236 45.100 0.094 0.000 0.769 716 G HN 0.480 nan 8.290 nan 0.000 0.547 717 F N 0.799 120.765 119.950 0.028 0.000 2.051 717 F HA -0.056 4.471 4.527 -0.001 0.000 0.296 717 F C 2.358 178.167 175.800 0.014 0.000 1.122 717 F CA 1.051 59.066 58.000 0.025 0.000 1.201 717 F CB -0.185 38.843 39.000 0.047 0.000 0.978 717 F HN 0.008 nan 8.300 nan 0.000 0.472 718 L N 0.477 121.883 121.223 0.304 0.000 2.187 718 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 718 L C 2.123 179.006 176.870 0.022 0.000 1.100 718 L CA 1.467 56.437 54.840 0.217 0.000 0.765 718 L CB -1.370 40.906 42.059 0.362 0.000 0.904 718 L HN 0.305 nan 8.230 nan 0.000 0.437 719 L N -1.059 120.104 121.223 -0.099 0.000 2.599 719 L HA 0.039 4.379 4.340 -0.000 0.000 0.230 719 L C 1.401 178.111 176.870 -0.266 0.000 1.141 719 L CA 0.219 54.847 54.840 -0.354 0.000 0.877 719 L CB -0.221 41.560 42.059 -0.464 0.000 1.009 719 L HN 0.193 nan 8.230 nan 0.000 0.447 720 A N -0.751 121.932 122.820 -0.229 0.000 2.842 720 A HA 0.162 4.481 4.320 -0.000 0.000 0.298 720 A C 0.120 177.562 177.584 -0.237 0.000 1.293 720 A CA -0.312 51.588 52.037 -0.229 0.000 0.959 720 A CB -0.247 18.613 19.000 -0.233 0.000 1.119 720 A HN 0.338 nan 8.150 nan 0.000 0.564 721 D N -0.237 120.049 120.400 -0.189 0.000 3.082 721 D HA -0.097 4.543 4.640 -0.000 0.000 0.234 721 D C -2.631 173.559 176.300 -0.184 0.000 1.159 721 D CA 0.392 54.308 54.000 -0.140 0.000 0.875 721 D CB -0.748 39.988 40.800 -0.106 0.000 0.946 721 D HN 0.312 nan 8.370 nan 0.000 0.411 722 P HA 0.249 nan 4.420 nan 0.000 0.266 722 P C -0.441 176.824 177.300 -0.058 0.000 1.195 722 P CA 0.221 63.176 63.100 -0.241 0.000 0.768 722 P CB 0.685 32.352 31.700 -0.056 0.000 0.838 723 K N 1.666 122.063 120.400 -0.005 0.000 2.536 723 K HA 0.620 4.940 4.320 -0.000 0.000 0.269 723 K C -0.520 176.171 176.600 0.151 0.000 0.965 723 K CA -0.717 55.608 56.287 0.064 0.000 0.860 723 K CB 1.299 33.821 32.500 0.036 0.000 1.423 723 K HN 0.396 nan 8.250 nan 0.000 0.438 731 V N 1.804 121.690 119.914 -0.047 0.000 2.378 731 V HA 0.581 4.701 4.120 -0.000 0.000 0.288 731 V C -0.151 175.931 176.094 -0.020 0.000 1.016 731 V CA -0.114 62.155 62.300 -0.051 0.000 0.840 731 V CB 2.002 33.748 31.823 -0.129 0.000 0.994 731 V HN 0.628 nan 8.190 nan 0.000 0.431 732 E N 6.588 126.795 120.200 0.012 0.000 2.134 732 E HA 0.516 4.866 4.350 -0.000 0.000 0.278 732 E C -1.198 175.439 176.600 0.062 0.000 0.959 732 E CA -0.591 55.824 56.400 0.024 0.000 0.783 732 E CB 1.313 31.025 29.700 0.020 0.000 1.095 732 E HN 0.769 nan 8.360 nan 0.000 0.399 733 I N 3.982 124.589 120.570 0.062 0.000 2.418 733 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 733 I C -0.510 175.661 176.117 0.089 0.000 1.008 733 I CA -0.862 60.491 61.300 0.088 0.000 1.104 733 I CB 1.864 39.907 38.000 0.071 0.000 1.264 733 I HN 0.406 nan 8.210 nan 0.000 0.438 734 Q N 5.284 125.160 119.800 0.127 0.000 2.257 734 Q HA 0.669 5.008 4.340 -0.000 0.000 0.255 734 Q C -0.772 175.333 176.000 0.175 0.000 0.920 734 Q CA -0.143 55.738 55.803 0.131 0.000 0.927 734 Q CB 1.962 30.757 28.738 0.094 0.000 1.229 734 Q HN 0.833 nan 8.270 nan 0.000 0.433 735 C N 1.148 120.546 119.300 0.163 0.000 3.231 735 C HA 0.673 5.132 4.460 -0.000 0.000 0.343 735 C C -2.943 172.159 174.990 0.186 0.000 1.349 735 C CA -1.839 57.268 59.018 0.149 0.000 1.209 735 C CB 0.749 28.521 27.740 0.053 0.000 1.475 735 C HN 0.554 nan 8.230 nan 0.000 0.460 736 P HA 0.218 nan 4.420 nan 0.000 0.272 736 P C 0.728 178.081 177.300 0.089 0.000 1.223 736 P CA 0.475 63.675 63.100 0.167 0.000 0.784 736 P CB 0.556 32.321 31.700 0.108 0.000 0.923 737 E N 2.175 122.435 120.200 0.100 0.000 2.013 737 E HA -0.333 4.017 4.350 -0.000 0.000 0.202 737 E C 1.334 177.807 176.600 -0.212 0.000 1.018 737 E CA 1.849 58.065 56.400 -0.307 0.000 0.834 737 E CB -0.314 29.322 29.700 -0.107 0.000 0.770 737 E HN 0.362 nan 8.360 nan 0.000 0.459 738 Q N 0.277 120.029 119.800 -0.081 0.000 2.389 738 Q HA -0.146 4.194 4.340 -0.000 0.000 0.213 738 Q C 1.704 177.664 176.000 -0.066 0.000 0.989 738 Q CA 1.723 57.490 55.803 -0.059 0.000 0.891 738 Q CB -0.479 28.248 28.738 -0.019 0.000 0.923 738 Q HN 0.394 nan 8.270 nan 0.000 0.455 739 A N 0.081 122.855 122.820 -0.077 0.000 2.044 739 A HA 0.098 4.418 4.320 -0.000 0.000 0.213 739 A C 2.144 179.655 177.584 -0.122 0.000 1.169 739 A CA 0.349 52.338 52.037 -0.080 0.000 0.724 739 A CB -0.246 18.718 19.000 -0.059 0.000 0.840 739 A HN 0.200 nan 8.150 nan 0.000 0.463 740 V N 0.456 120.265 119.914 -0.174 0.000 2.370 740 V HA -0.294 3.825 4.120 -0.000 0.000 0.252 740 V C 2.748 178.706 176.094 -0.227 0.000 1.068 740 V CA 2.065 64.216 62.300 -0.250 0.000 1.061 740 V CB -1.377 30.257 31.823 -0.315 0.000 0.656 740 V HN 0.605 nan 8.190 nan 0.000 0.455 741 G N -0.173 108.581 108.800 -0.078 0.000 2.450 741 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 741 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 741 G C 1.552 176.450 174.900 -0.003 0.000 1.130 741 G CA 0.935 46.056 45.100 0.036 0.000 0.760 741 G HN 0.615 nan 8.290 nan 0.000 0.557 742 G N 0.864 109.622 108.800 -0.070 0.000 2.421 742 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.217 742 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.217 742 G C 1.727 176.568 174.900 -0.098 0.000 1.143 742 G CA 0.622 45.679 45.100 -0.072 0.000 0.784 742 G HN 0.450 nan 8.290 nan 0.000 0.541 743 I N -0.320 120.136 120.570 -0.189 0.000 2.163 743 I HA -0.219 3.950 4.170 -0.000 0.000 0.243 743 I C 2.419 178.438 176.117 -0.162 0.000 1.085 743 I CA 1.128 62.293 61.300 -0.225 0.000 1.347 743 I CB -0.323 37.445 38.000 -0.385 0.000 1.044 743 I HN 0.119 nan 8.210 nan 0.000 0.408 744 Y N 0.201 120.508 120.300 0.011 0.000 2.242 744 Y HA -0.217 4.333 4.550 -0.001 0.000 0.291 744 Y C 2.998 178.911 175.900 0.022 0.000 1.137 744 Y CA 1.341 59.451 58.100 0.017 0.000 1.181 744 Y CB -1.068 37.391 38.460 -0.002 0.000 0.989 744 Y HN 0.124 nan 8.280 nan 0.000 0.527 745 S N -0.274 115.507 115.700 0.135 0.000 2.359 745 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 745 S C 2.168 176.809 174.600 0.069 0.000 1.035 745 S CA 1.646 59.895 58.200 0.083 0.000 1.018 745 S CB -0.704 62.520 63.200 0.040 0.000 0.876 745 S HN 0.180 nan 8.310 nan 0.000 0.448 746 V N 2.334 122.278 119.914 0.049 0.000 2.270 746 V HA -0.128 3.991 4.120 -0.000 0.000 0.245 746 V C 2.482 178.665 176.094 0.148 0.000 1.043 746 V CA 1.885 64.225 62.300 0.066 0.000 1.014 746 V CB -0.867 30.953 31.823 -0.005 0.000 0.645 746 V HN 0.468 nan 8.190 nan 0.000 0.447 747 L N 0.566 121.896 121.223 0.180 0.000 2.021 747 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 747 L C 2.476 179.425 176.870 0.132 0.000 1.074 747 L CA 1.813 56.759 54.840 0.178 0.000 0.760 747 L CB -0.876 41.282 42.059 0.165 0.000 0.889 747 L HN 0.419 nan 8.230 nan 0.000 0.433 748 N N 0.287 119.061 118.700 0.123 0.000 2.289 748 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 748 N C 1.520 177.077 175.510 0.080 0.000 1.016 748 N CA 1.117 54.224 53.050 0.095 0.000 0.872 748 N CB -0.145 38.393 38.487 0.085 0.000 0.973 748 N HN 0.452 nan 8.380 nan 0.000 0.433 749 K N 0.514 120.965 120.400 0.085 0.000 2.459 749 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 749 K C 0.254 176.903 176.600 0.081 0.000 1.030 749 K CA 0.558 56.889 56.287 0.074 0.000 1.026 749 K CB 0.355 32.896 32.500 0.067 0.000 0.809 749 K HN 0.113 nan 8.250 nan 0.000 0.504 750 K N 0.822 121.278 120.400 0.093 0.000 3.239 750 K HA 0.244 4.563 4.320 -0.000 0.000 0.204 750 K C -0.761 175.875 176.600 0.059 0.000 1.126 750 K CA -0.243 56.093 56.287 0.082 0.000 0.948 750 K CB 0.894 33.462 32.500 0.112 0.000 0.818 750 K HN 0.007 nan 8.250 nan 0.000 0.480 751 R N -0.065 120.472 120.500 0.061 0.000 3.591 751 R HA -0.195 4.144 4.340 -0.000 0.000 0.268 751 R C 0.601 176.938 176.300 0.063 0.000 1.102 751 R CA 0.673 56.808 56.100 0.059 0.000 0.732 751 R CB -1.889 28.443 30.300 0.054 0.000 1.117 751 R HN 0.537 nan 8.270 nan 0.000 0.472 752 G N 0.241 109.082 108.800 0.069 0.000 2.621 752 G HA2 0.311 4.270 3.960 -0.000 0.000 0.271 752 G HA3 0.311 4.270 3.960 -0.000 0.000 0.271 752 G C -0.490 174.468 174.900 0.098 0.000 1.236 752 G CA -0.292 44.852 45.100 0.073 0.000 0.958 752 G HN 0.193 nan 8.290 nan 0.000 0.512 753 Q N -0.643 119.222 119.800 0.107 0.000 2.313 753 Q HA 0.361 4.700 4.340 -0.000 0.000 0.255 753 Q C -1.243 174.796 176.000 0.065 0.000 0.944 753 Q CA -0.623 55.246 55.803 0.109 0.000 0.881 753 Q CB 2.015 30.848 28.738 0.158 0.000 1.375 753 Q HN 0.433 nan 8.270 nan 0.000 0.422 754 V N 3.741 123.703 119.914 0.080 0.000 2.811 754 V HA 0.107 4.226 4.120 -0.000 0.000 0.302 754 V C 0.755 176.836 176.094 -0.023 0.000 1.063 754 V CA 0.052 62.396 62.300 0.074 0.000 1.088 754 V CB 1.231 33.171 31.823 0.194 0.000 0.982 754 V HN 0.806 nan 8.190 nan 0.000 0.485 755 V N 1.874 121.735 119.914 -0.088 0.000 2.996 755 V HA 0.218 4.338 4.120 -0.000 0.000 0.235 755 V C 0.516 176.571 176.094 -0.064 0.000 1.205 755 V CA 1.086 63.294 62.300 -0.154 0.000 1.225 755 V CB 1.104 32.697 31.823 -0.383 0.000 0.995 755 V HN 0.978 nan 8.190 nan 0.000 0.484 756 S N -0.233 115.450 115.700 -0.029 0.000 2.535 756 S HA 0.543 5.013 4.470 -0.000 0.000 0.272 756 S C -1.160 173.477 174.600 0.061 0.000 1.149 756 S CA -0.582 57.626 58.200 0.013 0.000 0.888 756 S CB 2.360 65.555 63.200 -0.008 0.000 1.110 756 S HN 0.334 nan 8.310 nan 0.000 0.463 757 E N 2.112 122.369 120.200 0.095 0.000 2.346 757 E HA 0.311 4.661 4.350 -0.000 0.000 0.239 757 E C -0.186 176.506 176.600 0.153 0.000 0.943 757 E CA -0.375 56.120 56.400 0.158 0.000 0.751 757 E CB 0.572 30.399 29.700 0.211 0.000 1.241 757 E HN 0.793 nan 8.360 nan 0.000 0.423 758 E N 2.932 123.201 120.200 0.116 0.000 2.664 758 E HA 0.475 4.824 4.350 -0.000 0.000 0.245 758 E C -0.155 176.428 176.600 -0.029 0.000 1.016 758 E CA -0.860 55.568 56.400 0.047 0.000 0.963 758 E CB 1.184 30.889 29.700 0.009 0.000 1.360 758 E HN 0.327 nan 8.360 nan 0.000 0.472 764 P HA 0.322 nan 4.420 nan 0.000 0.317 764 P C 0.681 177.929 177.300 -0.087 0.000 1.427 764 P CA -0.364 62.688 63.100 -0.080 0.000 0.820 764 P CB 0.351 32.011 31.700 -0.067 0.000 1.894 765 L N -2.503 118.690 121.223 -0.050 0.000 2.891 765 L HA 0.356 4.696 4.340 -0.000 0.000 0.216 765 L C 0.364 177.172 176.870 -0.103 0.000 1.209 765 L CA -0.724 54.126 54.840 0.017 0.000 0.957 765 L CB -0.296 41.821 42.059 0.096 0.000 1.876 765 L HN 0.077 nan 8.230 nan 0.000 0.532 766 F N -1.006 118.951 119.950 0.012 0.000 2.509 766 F HA 0.502 5.029 4.527 -0.000 0.000 0.334 766 F C 0.071 175.874 175.800 0.005 0.000 1.060 766 F CA -0.431 57.574 58.000 0.008 0.000 0.997 766 F CB 2.069 41.074 39.000 0.009 0.000 1.271 766 F HN 0.325 nan 8.300 nan 0.000 0.488 767 T N -0.598 114.073 114.554 0.196 0.000 3.066 767 T HA 0.593 4.943 4.350 -0.000 0.000 0.318 767 T C -1.362 173.398 174.700 0.100 0.000 0.979 767 T CA -0.727 61.437 62.100 0.107 0.000 1.025 767 T CB 0.298 69.194 68.868 0.047 0.000 1.002 767 T HN 0.298 nan 8.240 nan 0.000 0.453 768 V N 4.129 124.084 119.914 0.067 0.000 2.407 768 V HA 0.507 4.626 4.120 -0.000 0.000 0.278 768 V C 0.215 176.314 176.094 0.008 0.000 1.037 768 V CA -0.670 61.650 62.300 0.033 0.000 0.900 768 V CB 1.384 33.173 31.823 -0.056 0.000 0.983 768 V HN 0.808 nan 8.190 nan 0.000 0.459 769 K N 3.191 123.587 120.400 -0.007 0.000 2.221 769 K HA 0.879 5.198 4.320 -0.000 0.000 0.258 769 K C -0.479 176.054 176.600 -0.111 0.000 0.944 769 K CA -0.385 55.867 56.287 -0.059 0.000 0.823 769 K CB 2.226 34.681 32.500 -0.075 0.000 1.113 769 K HN 0.856 nan 8.250 nan 0.000 0.431 770 A N 2.067 124.796 122.820 -0.152 0.000 2.610 770 A HA 0.554 4.874 4.320 -0.000 0.000 0.291 770 A C -2.009 175.459 177.584 -0.192 0.000 1.086 770 A CA -0.748 51.175 52.037 -0.189 0.000 0.677 770 A CB 0.722 19.694 19.000 -0.047 0.000 1.278 770 A HN 0.519 nan 8.150 nan 0.000 0.414 771 Y N -0.198 120.097 120.300 -0.009 0.000 2.320 771 Y HA 0.635 5.185 4.550 -0.000 0.000 0.334 771 Y C -0.192 175.656 175.900 -0.088 0.000 1.055 771 Y CA -0.890 57.186 58.100 -0.041 0.000 1.143 771 Y CB 1.691 40.175 38.460 0.040 0.000 1.193 771 Y HN 0.565 nan 8.280 nan 0.000 0.477 772 L N 6.560 127.791 121.223 0.013 0.000 2.404 772 L HA 0.658 4.998 4.340 -0.000 0.000 0.272 772 L C -2.785 173.999 176.870 -0.144 0.000 0.980 772 L CA -2.093 52.674 54.840 -0.122 0.000 0.836 772 L CB 1.564 43.429 42.059 -0.324 0.000 1.238 772 L HN 0.350 nan 8.230 nan 0.000 0.408 773 P HA 0.059 nan 4.420 nan 0.000 0.264 773 P C 0.925 178.120 177.300 -0.176 0.000 1.183 773 P CA -0.213 62.822 63.100 -0.107 0.000 0.763 773 P CB 0.836 32.513 31.700 -0.038 0.000 0.807 774 V N 2.410 122.213 119.914 -0.185 0.000 2.407 774 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 774 V C 1.789 177.637 176.094 -0.410 0.000 1.055 774 V CA 2.293 64.436 62.300 -0.261 0.000 1.049 774 V CB -1.234 30.472 31.823 -0.195 0.000 0.662 774 V HN 0.695 nan 8.190 nan 0.000 0.455 775 N N 0.150 118.713 118.700 -0.229 0.000 2.575 775 N HA -0.116 4.624 4.740 -0.000 0.000 0.192 775 N C 1.041 176.427 175.510 -0.208 0.000 1.200 775 N CA 0.705 53.644 53.050 -0.185 0.000 0.897 775 N CB -0.213 38.342 38.487 0.113 0.000 0.990 775 N HN 0.457 nan 8.380 nan 0.000 0.449 776 E N -0.645 119.406 120.200 -0.249 0.000 2.603 776 E HA 0.095 4.445 4.350 -0.000 0.000 0.211 776 E C 0.227 176.720 176.600 -0.178 0.000 0.995 776 E CA 0.140 56.459 56.400 -0.135 0.000 0.990 776 E CB 0.463 30.127 29.700 -0.060 0.000 1.036 776 E HN 0.529 nan 8.360 nan 0.000 0.475 777 S N -0.411 115.044 115.700 -0.407 0.000 2.557 777 S HA 0.193 4.662 4.470 -0.000 0.000 0.223 777 S C 0.334 174.865 174.600 -0.114 0.000 0.969 777 S CA -0.525 57.507 58.200 -0.280 0.000 0.927 777 S CB -0.366 62.625 63.200 -0.348 0.000 0.806 777 S HN -0.076 nan 8.310 nan 0.000 0.489 778 F N 2.741 122.758 119.950 0.111 0.000 2.438 778 F HA 0.618 5.145 4.527 -0.000 0.000 0.360 778 F C 1.623 177.494 175.800 0.118 0.000 1.118 778 F CA -0.409 57.653 58.000 0.104 0.000 1.164 778 F CB 0.391 39.437 39.000 0.076 0.000 1.131 778 F HN 0.291 nan 8.300 nan 0.000 0.527 779 G N 2.678 111.653 108.800 0.293 0.000 2.175 779 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.244 779 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.244 779 G C 1.059 176.056 174.900 0.161 0.000 0.982 779 G CA 0.217 45.430 45.100 0.189 0.000 0.641 779 G HN 0.592 nan 8.290 nan 0.000 0.527 780 F N 1.921 121.907 119.950 0.061 0.000 2.091 780 F HA -0.073 4.454 4.527 -0.001 0.000 0.299 780 F C 2.627 178.442 175.800 0.024 0.000 1.103 780 F CA 2.988 61.004 58.000 0.027 0.000 1.228 780 F CB -0.585 38.417 39.000 0.004 0.000 0.984 780 F HN 0.204 nan 8.300 nan 0.000 0.477 781 T N -0.515 114.079 114.554 0.066 0.000 2.778 781 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 781 T C 2.066 176.687 174.700 -0.131 0.000 1.050 781 T CA 1.759 63.836 62.100 -0.039 0.000 1.137 781 T CB -1.077 67.856 68.868 0.109 0.000 0.860 781 T HN 0.464 nan 8.240 nan 0.000 0.468 782 G N 0.274 109.030 108.800 -0.074 0.000 2.404 782 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.214 782 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.214 782 G C 1.499 176.322 174.900 -0.128 0.000 1.189 782 G CA 0.546 45.605 45.100 -0.068 0.000 0.789 782 G HN 0.576 nan 8.290 nan 0.000 0.533 783 E N -0.282 119.823 120.200 -0.158 0.000 2.265 783 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 783 E C 2.315 178.754 176.600 -0.268 0.000 0.996 783 E CA 0.401 56.698 56.400 -0.172 0.000 0.832 783 E CB -0.047 29.576 29.700 -0.128 0.000 0.756 783 E HN 0.353 nan 8.360 nan 0.000 0.491 784 L N 1.510 122.469 121.223 -0.440 0.000 2.068 784 L HA -0.125 4.215 4.340 -0.000 0.000 0.204 784 L C 2.375 179.077 176.870 -0.280 0.000 1.076 784 L CA 1.608 56.175 54.840 -0.455 0.000 0.753 784 L CB -0.200 41.444 42.059 -0.691 0.000 0.910 784 L HN -0.054 nan 8.230 nan 0.000 0.439 785 R N -1.092 119.263 120.500 -0.242 0.000 2.120 785 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 785 R C 2.132 178.348 176.300 -0.142 0.000 1.123 785 R CA 1.475 57.458 56.100 -0.196 0.000 0.975 785 R CB -0.861 29.342 30.300 -0.161 0.000 0.866 785 R HN 0.330 nan 8.270 nan 0.000 0.446 786 Q N 1.027 120.753 119.800 -0.124 0.000 2.224 786 Q HA 0.052 4.392 4.340 -0.000 0.000 0.203 786 Q C 1.801 177.751 176.000 -0.083 0.000 0.970 786 Q CA 1.886 57.637 55.803 -0.086 0.000 0.865 786 Q CB -0.051 28.645 28.738 -0.070 0.000 0.922 786 Q HN 0.534 nan 8.270 nan 0.000 0.445 787 A N -1.045 121.709 122.820 -0.109 0.000 2.238 787 A HA 0.093 4.413 4.320 -0.000 0.000 0.210 787 A C 1.480 179.007 177.584 -0.094 0.000 1.179 787 A CA 0.999 52.981 52.037 -0.091 0.000 0.827 787 A CB -0.023 18.918 19.000 -0.098 0.000 0.856 787 A HN 0.399 nan 8.150 nan 0.000 0.488 788 T N -5.287 109.199 114.554 -0.114 0.000 3.145 788 T HA 0.426 4.776 4.350 -0.000 0.000 0.281 788 T C 1.069 175.712 174.700 -0.094 0.000 1.003 788 T CA 0.866 62.901 62.100 -0.109 0.000 0.901 788 T CB -0.072 68.711 68.868 -0.143 0.000 1.112 788 T HN 1.551 nan 8.240 nan 0.000 0.535 789 G N 1.100 109.852 108.800 -0.081 0.000 2.273 789 G HA2 0.125 4.085 3.960 -0.000 0.000 0.280 789 G HA3 0.125 4.085 3.960 -0.000 0.000 0.280 789 G C 1.118 175.972 174.900 -0.075 0.000 1.047 789 G CA 0.256 45.320 45.100 -0.060 0.000 0.869 789 G HN 1.840 nan 8.290 nan 0.000 0.502 790 G N -1.501 107.227 108.800 -0.119 0.000 2.203 790 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.263 790 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.263 790 G C 0.837 175.594 174.900 -0.237 0.000 1.012 790 G CA 1.352 46.353 45.100 -0.165 0.000 0.749 790 G HN 0.962 nan 8.290 nan 0.000 0.512 791 Q N -0.852 118.817 119.800 -0.219 0.000 2.378 791 Q HA 0.497 4.837 4.340 -0.000 0.000 0.216 791 Q C 1.468 177.297 176.000 -0.285 0.000 0.892 791 Q CA 0.578 56.274 55.803 -0.179 0.000 0.931 791 Q CB 0.706 29.414 28.738 -0.050 0.000 1.086 791 Q HN 0.771 nan 8.270 nan 0.000 0.528 792 A N 0.726 123.328 122.820 -0.363 0.000 2.310 792 A HA 0.564 4.884 4.320 -0.000 0.000 0.299 792 A C -1.012 176.265 177.584 -0.511 0.000 1.147 792 A CA -0.225 51.642 52.037 -0.283 0.000 0.818 792 A CB 0.214 19.106 19.000 -0.180 0.000 1.096 792 A HN 0.164 nan 8.150 nan 0.000 0.495 793 F N 3.795 123.760 119.950 0.026 0.000 2.434 793 F HA 0.392 4.919 4.527 -0.000 0.000 0.355 793 F C -2.001 173.840 175.800 0.068 0.000 1.115 793 F CA -2.020 56.010 58.000 0.050 0.000 1.010 793 F CB 2.111 41.136 39.000 0.041 0.000 1.234 793 F HN 0.389 nan 8.300 nan 0.000 0.439 794 P HA 0.214 nan 4.420 nan 0.000 0.276 794 P C -1.417 176.000 177.300 0.195 0.000 1.244 794 P CA -0.465 62.772 63.100 0.228 0.000 0.801 794 P CB 2.024 33.919 31.700 0.326 0.000 1.006 795 Q N 1.017 120.903 119.800 0.143 0.000 2.295 795 Q HA 0.567 4.907 4.340 -0.000 0.000 0.268 795 Q C -1.604 174.432 176.000 0.059 0.000 1.010 795 Q CA -0.475 55.388 55.803 0.100 0.000 0.856 795 Q CB 1.734 30.519 28.738 0.078 0.000 1.349 795 Q HN 0.408 nan 8.270 nan 0.000 0.412 796 M N 2.769 122.396 119.600 0.046 0.000 2.386 796 M HA 0.635 5.115 4.480 -0.000 0.000 0.293 796 M C -1.483 174.824 176.300 0.012 0.000 1.120 796 M CA -1.016 54.288 55.300 0.007 0.000 0.909 796 M CB 2.527 35.114 32.600 -0.022 0.000 1.661 796 M HN 0.384 nan 8.290 nan 0.000 0.452 797 V N 2.829 122.741 119.914 -0.002 0.000 2.841 797 V HA 0.553 4.672 4.120 -0.000 0.000 0.310 797 V C -1.465 174.627 176.094 -0.004 0.000 1.090 797 V CA -0.702 61.603 62.300 0.009 0.000 0.930 797 V CB 2.329 34.156 31.823 0.006 0.000 1.014 797 V HN 0.731 nan 8.190 nan 0.000 0.425 798 F N 4.716 124.588 119.950 -0.130 0.000 2.608 798 F HA 0.239 4.766 4.527 -0.000 0.000 0.380 798 F C 0.734 176.425 175.800 -0.181 0.000 1.083 798 F CA 1.074 58.950 58.000 -0.206 0.000 1.266 798 F CB 1.044 39.898 39.000 -0.243 0.000 1.076 798 F HN 0.814 nan 8.300 nan 0.000 0.574 799 D N 2.783 122.532 120.400 -1.086 0.000 2.995 799 D HA 0.077 4.717 4.640 -0.000 0.000 0.289 799 D C -0.351 175.333 176.300 -1.027 0.000 1.116 799 D CA 0.727 54.238 54.000 -0.815 0.000 0.994 799 D CB 0.269 40.871 40.800 -0.331 0.000 1.209 799 D HN 0.682 nan 8.370 nan 0.000 0.458 800 H N -3.041 115.337 119.070 -1.154 0.000 2.981 800 H HA 0.244 4.799 4.556 -0.000 0.000 0.327 800 H C -1.530 173.515 175.328 -0.472 0.000 1.342 800 H CA -1.098 54.524 56.048 -0.710 0.000 1.123 800 H CB -0.284 29.252 29.762 -0.377 0.000 1.851 800 H HN 0.030 nan 8.280 nan 0.000 0.531 801 W N 0.945 122.327 121.300 0.137 0.000 2.438 801 W HA 0.515 5.174 4.660 -0.001 0.000 0.324 801 W C 0.335 176.979 176.519 0.209 0.000 1.119 801 W CA -0.533 56.924 57.345 0.187 0.000 1.221 801 W CB 1.842 31.424 29.460 0.205 0.000 1.253 801 W HN 0.514 nan 8.180 nan 0.000 0.555 802 S N 1.544 117.495 115.700 0.420 0.000 2.561 802 S HA 0.451 4.921 4.470 -0.000 0.000 0.303 802 S C -0.547 174.208 174.600 0.258 0.000 1.110 802 S CA -0.655 57.721 58.200 0.292 0.000 1.034 802 S CB 0.671 64.003 63.200 0.219 0.000 1.010 802 S HN 0.310 nan 8.310 nan 0.000 0.482 803 T N 5.836 120.506 114.554 0.193 0.000 2.752 803 T HA 0.291 4.641 4.350 -0.000 0.000 0.295 803 T C 0.137 174.916 174.700 0.132 0.000 0.923 803 T CA -0.155 62.041 62.100 0.160 0.000 1.112 803 T CB -0.130 68.806 68.868 0.113 0.000 0.884 803 T HN 0.537 nan 8.240 nan 0.000 0.525 804 L N 3.044 124.352 121.223 0.141 0.000 2.360 804 L HA 0.291 4.631 4.340 -0.000 0.000 0.276 804 L C 1.771 178.685 176.870 0.074 0.000 1.121 804 L CA -0.350 54.555 54.840 0.107 0.000 0.845 804 L CB 0.599 42.724 42.059 0.110 0.000 1.143 804 L HN 0.861 nan 8.230 nan 0.000 0.452 805 G N 1.733 110.567 108.800 0.057 0.000 2.484 805 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 805 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 805 G C 0.792 175.708 174.900 0.028 0.000 1.130 805 G CA 0.238 45.361 45.100 0.038 0.000 0.784 805 G HN 0.651 nan 8.290 nan 0.000 0.543 806 S N 0.229 115.946 115.700 0.028 0.000 2.584 806 S HA 0.193 4.663 4.470 -0.000 0.000 0.270 806 S C -0.239 174.368 174.600 0.011 0.000 1.346 806 S CA -0.667 57.543 58.200 0.016 0.000 1.018 806 S CB 1.535 64.742 63.200 0.012 0.000 0.899 806 S HN 0.136 nan 8.310 nan 0.000 0.542 807 D N 1.443 121.847 120.400 0.006 0.000 2.358 807 D HA 0.194 4.833 4.640 -0.000 0.000 0.258 807 D C -1.656 174.641 176.300 -0.005 0.000 1.223 807 D CA -1.951 52.053 54.000 0.006 0.000 0.886 807 D CB 1.090 41.895 40.800 0.007 0.000 1.120 807 D HN 0.174 nan 8.370 nan 0.000 0.482 808 P HA -0.065 nan 4.420 nan 0.000 0.222 808 P C 1.042 178.323 177.300 -0.032 0.000 1.147 808 P CA 0.439 63.524 63.100 -0.025 0.000 0.790 808 P CB 0.333 32.050 31.700 0.028 0.000 0.780 809 L N -1.402 119.824 121.223 0.005 0.000 2.591 809 L HA 0.119 4.459 4.340 -0.000 0.000 0.228 809 L C 0.651 177.519 176.870 -0.003 0.000 1.133 809 L CA 0.747 55.593 54.840 0.011 0.000 0.880 809 L CB -0.939 41.147 42.059 0.045 0.000 1.033 809 L HN -0.086 nan 8.230 nan 0.000 0.450 810 D N -0.115 120.277 120.400 -0.012 0.000 2.443 810 D HA 0.198 4.838 4.640 -0.000 0.000 0.221 810 D C -1.789 174.494 176.300 -0.028 0.000 1.097 810 D CA -2.370 51.622 54.000 -0.013 0.000 0.865 810 D CB 1.645 42.441 40.800 -0.007 0.000 1.034 810 D HN -0.096 nan 8.370 nan 0.000 0.511 811 P HA -0.138 nan 4.420 nan 0.000 0.221 811 P C 0.893 178.172 177.300 -0.034 0.000 1.141 811 P CA 1.392 64.468 63.100 -0.039 0.000 0.794 811 P CB 0.193 31.875 31.700 -0.029 0.000 0.764 812 T N -6.186 108.353 114.554 -0.024 0.000 3.054 812 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 812 T C 0.821 175.512 174.700 -0.015 0.000 1.035 812 T CA -0.212 61.877 62.100 -0.017 0.000 0.941 812 T CB -0.430 68.432 68.868 -0.009 0.000 1.026 812 T HN 0.104 nan 8.240 nan 0.000 0.533 813 S N 0.873 116.562 115.700 -0.019 0.000 2.669 813 S HA 0.420 4.890 4.470 -0.000 0.000 0.270 813 S C 1.129 175.717 174.600 -0.020 0.000 1.225 813 S CA -0.970 57.222 58.200 -0.013 0.000 0.991 813 S CB 1.519 64.713 63.200 -0.011 0.000 0.987 813 S HN 0.205 nan 8.310 nan 0.000 0.552 814 K N 0.619 121.014 120.400 -0.008 0.000 2.032 814 K HA -0.140 4.179 4.320 -0.000 0.000 0.209 814 K C 2.430 179.009 176.600 -0.035 0.000 1.048 814 K CA 1.520 57.804 56.287 -0.006 0.000 0.927 814 K CB -0.803 31.708 32.500 0.018 0.000 0.712 814 K HN 0.730 nan 8.250 nan 0.000 0.441 815 A N 1.210 124.007 122.820 -0.039 0.000 1.873 815 A HA -0.074 4.245 4.320 -0.000 0.000 0.215 815 A C 2.471 179.963 177.584 -0.153 0.000 1.186 815 A CA 1.867 53.853 52.037 -0.085 0.000 0.616 815 A CB -1.207 17.770 19.000 -0.039 0.000 0.823 815 A HN 0.434 nan 8.150 nan 0.000 0.442 816 G N -0.265 108.471 108.800 -0.107 0.000 2.442 816 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 816 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 816 G C 1.393 176.209 174.900 -0.140 0.000 1.141 816 G CA 1.040 46.068 45.100 -0.121 0.000 0.763 816 G HN 0.685 nan 8.290 nan 0.000 0.554 817 E N 0.096 120.231 120.200 -0.108 0.000 2.077 817 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 817 E C 2.515 179.032 176.600 -0.138 0.000 0.989 817 E CA 0.660 57.005 56.400 -0.092 0.000 0.800 817 E CB -0.160 29.511 29.700 -0.049 0.000 0.746 817 E HN 0.495 nan 8.360 nan 0.000 0.452 818 I N 0.904 121.358 120.570 -0.193 0.000 2.226 818 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 818 I C 2.388 178.233 176.117 -0.454 0.000 1.100 818 I CA 0.790 61.918 61.300 -0.286 0.000 1.374 818 I CB -0.190 37.558 38.000 -0.419 0.000 1.057 818 I HN -0.024 nan 8.210 nan 0.000 0.413 819 V N 0.634 120.206 119.914 -0.572 0.000 2.427 819 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 819 V C 2.318 178.178 176.094 -0.390 0.000 1.051 819 V CA 1.433 63.257 62.300 -0.793 0.000 1.048 819 V CB -0.395 31.051 31.823 -0.628 0.000 0.666 819 V HN 0.358 nan 8.190 nan 0.000 0.456 820 L N 0.790 121.876 121.223 -0.228 0.000 2.093 820 L HA 0.024 4.363 4.340 -0.000 0.000 0.208 820 L C 2.390 179.210 176.870 -0.084 0.000 1.085 820 L CA 2.225 56.995 54.840 -0.118 0.000 0.755 820 L CB -0.867 41.142 42.059 -0.083 0.000 0.904 820 L HN 0.203 nan 8.230 nan 0.000 0.435 821 A N -0.498 122.265 122.820 -0.095 0.000 1.898 821 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 821 A C 2.428 179.989 177.584 -0.038 0.000 1.181 821 A CA 1.562 53.567 52.037 -0.053 0.000 0.620 821 A CB -1.054 17.923 19.000 -0.038 0.000 0.819 821 A HN 0.534 nan 8.150 nan 0.000 0.442 822 A N -0.328 122.477 122.820 -0.026 0.000 1.930 822 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 822 A C 2.242 179.913 177.584 0.145 0.000 1.175 822 A CA 1.335 53.431 52.037 0.098 0.000 0.627 822 A CB -0.417 18.823 19.000 0.400 0.000 0.815 822 A HN 0.524 nan 8.150 nan 0.000 0.443 823 R N -0.115 120.458 120.500 0.121 0.000 2.073 823 R HA -0.094 4.245 4.340 -0.000 0.000 0.234 823 R C 2.172 178.524 176.300 0.087 0.000 1.134 823 R CA 1.609 57.795 56.100 0.143 0.000 0.952 823 R CB -0.263 30.081 30.300 0.074 0.000 0.850 823 R HN 0.481 nan 8.270 nan 0.000 0.433 824 K N 0.219 120.634 120.400 0.025 0.000 2.057 824 K HA -0.152 4.167 4.320 -0.000 0.000 0.206 824 K C 2.154 178.749 176.600 -0.008 0.000 1.050 824 K CA 0.985 57.278 56.287 0.010 0.000 0.935 824 K CB -0.183 32.313 32.500 -0.007 0.000 0.715 824 K HN 0.082 nan 8.250 nan 0.000 0.439 825 R N 0.457 120.919 120.500 -0.064 0.000 2.159 825 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 825 R C 1.331 177.527 176.300 -0.173 0.000 1.131 825 R CA 1.265 57.275 56.100 -0.150 0.000 0.982 825 R CB 0.030 30.182 30.300 -0.248 0.000 0.868 825 R HN 0.319 nan 8.270 nan 0.000 0.453 826 H N -1.580 117.526 119.070 0.059 0.000 2.586 826 H HA 0.195 4.751 4.556 -0.001 0.000 0.273 826 H C 0.860 176.213 175.328 0.042 0.000 0.997 826 H CA 0.663 56.743 56.048 0.054 0.000 1.177 826 H CB 1.032 30.837 29.762 0.071 0.000 1.471 826 H HN 0.458 nan 8.280 nan 0.000 0.538 827 G N 1.557 110.430 108.800 0.122 0.000 2.198 827 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 827 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 827 G C 0.287 175.234 174.900 0.079 0.000 1.025 827 G CA 0.486 45.635 45.100 0.082 0.000 0.769 827 G HN 0.256 nan 8.290 nan 0.000 0.507 828 M N -1.016 118.641 119.600 0.095 0.000 2.369 828 M HA 0.557 5.037 4.480 -0.000 0.000 0.291 828 M C 0.706 177.036 176.300 0.050 0.000 1.178 828 M CA -0.895 54.449 55.300 0.075 0.000 0.996 828 M CB 0.768 33.426 32.600 0.096 0.000 1.472 828 M HN 0.051 nan 8.290 nan 0.000 0.496 829 K N 0.920 121.341 120.400 0.035 0.000 2.295 829 K HA 0.045 4.365 4.320 -0.000 0.000 0.270 829 K C 0.431 177.043 176.600 0.021 0.000 1.011 829 K CA 0.504 56.803 56.287 0.020 0.000 0.953 829 K CB 0.604 33.109 32.500 0.009 0.000 0.956 829 K HN 0.618 nan 8.250 nan 0.000 0.477 830 E N 2.083 122.290 120.200 0.011 0.000 2.031 830 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 830 E C -0.361 176.239 176.600 0.001 0.000 0.994 830 E CA 1.221 57.623 56.400 0.004 0.000 0.800 830 E CB -0.043 29.655 29.700 -0.004 0.000 0.752 830 E HN 0.647 nan 8.360 nan 0.000 0.447 831 E N 1.453 121.652 120.200 -0.001 0.000 2.414 831 E HA 0.052 4.401 4.350 -0.000 0.000 0.263 831 E C -0.767 175.839 176.600 0.010 0.000 1.000 831 E CA -0.269 56.130 56.400 -0.001 0.000 0.914 831 E CB 1.260 30.956 29.700 -0.008 0.000 0.948 831 E HN -0.095 nan 8.360 nan 0.000 0.444 832 V N 5.791 125.716 119.914 0.018 0.000 2.455 832 V HA 0.111 4.230 4.120 -0.000 0.000 0.273 832 V C -1.923 174.203 176.094 0.055 0.000 1.045 832 V CA -1.612 60.714 62.300 0.043 0.000 0.976 832 V CB 0.628 32.483 31.823 0.053 0.000 0.993 832 V HN 0.605 nan 8.190 nan 0.000 0.475 833 P HA 0.173 nan 4.420 nan 0.000 0.264 833 P C 0.378 177.771 177.300 0.156 0.000 1.193 833 P CA 0.362 63.501 63.100 0.066 0.000 0.763 833 P CB 0.498 32.224 31.700 0.044 0.000 0.810 834 G N 2.626 111.475 108.800 0.082 0.000 2.580 834 G HA2 0.109 4.069 3.960 -0.000 0.000 0.278 834 G HA3 0.109 4.069 3.960 -0.000 0.000 0.278 834 G C 0.905 175.935 174.900 0.217 0.000 1.212 834 G CA -0.680 44.486 45.100 0.111 0.000 0.939 834 G HN 0.724 nan 8.290 nan 0.000 0.513 835 W N -0.156 121.264 121.300 0.200 0.000 2.325 835 W HA -0.192 4.468 4.660 0.000 0.000 0.299 835 W C 1.453 178.129 176.519 0.260 0.000 1.215 835 W CA 1.205 58.704 57.345 0.255 0.000 1.244 835 W CB -0.649 28.893 29.460 0.137 0.000 1.140 835 W HN 0.510 nan 8.180 nan 0.000 0.523 836 Q N 1.082 120.496 119.800 -0.645 0.000 2.248 836 Q HA -0.186 4.154 4.340 -0.000 0.000 0.208 836 Q C 1.954 177.872 176.000 -0.137 0.000 0.984 836 Q CA 2.125 57.554 55.803 -0.623 0.000 0.875 836 Q CB -0.559 27.682 28.738 -0.828 0.000 0.910 836 Q HN 0.322 nan 8.270 nan 0.000 0.433 837 E N -0.804 119.328 120.200 -0.113 0.000 2.409 837 E HA -0.127 4.222 4.350 -0.000 0.000 0.198 837 E C 0.495 176.893 176.600 -0.337 0.000 1.024 837 E CA 0.902 57.147 56.400 -0.259 0.000 0.861 837 E CB 0.123 29.564 29.700 -0.431 0.000 0.788 837 E HN 0.595 nan 8.360 nan 0.000 0.521 838 Y N -2.137 118.244 120.300 0.136 0.000 2.527 838 Y HA 0.152 4.702 4.550 -0.000 0.000 0.247 838 Y C 0.158 176.174 175.900 0.194 0.000 1.138 838 Y CA -0.637 57.559 58.100 0.159 0.000 1.228 838 Y CB 0.236 38.822 38.460 0.211 0.000 1.252 838 Y HN -0.089 nan 8.280 nan 0.000 0.531 839 Y N 2.346 122.790 120.300 0.240 0.000 2.326 839 Y HA 0.362 4.912 4.550 -0.001 0.000 0.337 839 Y C -0.568 175.389 175.900 0.095 0.000 1.023 839 Y CA -0.974 57.255 58.100 0.215 0.000 1.143 839 Y CB 0.648 39.332 38.460 0.375 0.000 1.183 839 Y HN 0.031 nan 8.280 nan 0.000 0.485 840 D N 7.057 127.249 120.400 -0.348 0.000 2.472 840 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 840 D C -0.498 175.601 176.300 -0.335 0.000 1.088 840 D CA -0.462 53.401 54.000 -0.229 0.000 0.882 840 D CB 1.176 41.865 40.800 -0.185 0.000 1.037 840 D HN 0.536 nan 8.370 nan 0.000 0.520 841 K N 2.110 122.470 120.400 -0.066 0.000 2.518 841 K HA 0.075 4.395 4.320 -0.000 0.000 0.276 841 K C 0.457 177.053 176.600 -0.007 0.000 0.974 841 K CA -0.191 56.141 56.287 0.074 0.000 0.986 841 K CB 0.817 33.431 32.500 0.190 0.000 0.901 841 K HN 0.353 nan 8.250 nan 0.000 0.497 842 L N 0.000 121.244 121.223 0.036 0.000 2.949 842 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 842 L CA 0.000 54.859 54.840 0.031 0.000 0.813 842 L CB 0.000 42.108 42.059 0.081 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502