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 2p8z_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 0.000 177.371 177.584 -0.355 0.000 1.274 3 A CA 0.000 51.819 52.037 -0.363 0.000 0.836 3 A CB 0.000 18.889 19.000 -0.185 0.000 0.831 4 F N 0.883 120.784 119.950 -0.080 0.000 2.575 4 F HA 0.807 5.333 4.527 -0.000 0.000 0.330 4 F C 1.190 176.956 175.800 -0.057 0.000 1.056 4 F CA -0.185 57.762 58.000 -0.088 0.000 0.964 4 F CB 2.049 40.987 39.000 -0.103 0.000 1.258 4 F HN 0.632 nan 8.300 nan 0.000 0.484 5 T N -2.036 112.623 114.554 0.176 0.000 2.902 5 T HA 0.384 4.733 4.350 -0.000 0.000 0.280 5 T C 0.961 175.689 174.700 0.046 0.000 0.992 5 T CA -0.670 61.472 62.100 0.070 0.000 1.015 5 T CB 1.184 70.071 68.868 0.032 0.000 1.044 5 T HN 0.286 nan 8.240 nan 0.000 0.520 6 V N 1.273 121.202 119.914 0.025 0.000 2.469 6 V HA -0.163 3.957 4.120 -0.000 0.000 0.251 6 V C 2.473 178.561 176.094 -0.010 0.000 1.064 6 V CA 2.070 64.378 62.300 0.014 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 -0.078 0.000 0.982 7 D CA 1.241 55.216 54.000 -0.041 0.000 0.828 7 D CB -0.042 40.736 40.800 -0.036 0.000 0.967 7 D HN 0.547 nan 8.370 nan 0.000 0.464 8 Q N -0.266 119.470 119.800 -0.106 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 -0.263 0.000 0.978 8 Q CA 0.870 56.528 55.803 -0.242 0.000 0.844 8 Q CB 0.024 28.549 28.738 -0.354 0.000 0.898 8 Q HN 0.227 nan 8.270 nan 0.000 0.426 9 M N 0.116 119.633 119.600 -0.137 0.000 2.067 9 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 9 M C 2.189 178.454 176.300 -0.059 0.000 1.069 9 M CA 1.497 56.757 55.300 -0.066 0.000 1.117 9 M CB -0.852 31.763 32.600 0.025 0.000 1.334 9 M HN 0.042 nan 8.290 nan 0.000 0.407 10 R N 0.251 120.723 120.500 -0.047 0.000 2.127 10 R HA -0.097 4.243 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 2.059 58.135 56.100 -0.040 0.000 0.975 10 R CB -0.810 29.471 30.300 -0.032 0.000 0.865 10 R HN 0.361 nan 8.270 nan 0.000 0.447 11 S N -0.843 114.808 115.700 -0.083 0.000 2.387 11 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 11 S C 1.652 176.197 174.600 -0.093 0.000 1.026 11 S CA 0.753 58.900 58.200 -0.089 0.000 0.972 11 S CB -0.238 62.895 63.200 -0.112 0.000 0.814 11 S HN 0.298 nan 8.310 nan 0.000 0.477 12 L N 1.549 122.705 121.223 -0.111 0.000 2.093 12 L HA 0.182 4.521 4.340 -0.000 0.000 0.208 12 L C 2.282 179.124 176.870 -0.046 0.000 1.085 12 L CA 1.744 56.533 54.840 -0.084 0.000 0.755 12 L CB -0.766 41.245 42.059 -0.080 0.000 0.904 12 L HN 0.412 nan 8.230 nan 0.000 0.435 13 M N -1.424 118.154 119.600 -0.036 0.000 2.557 13 M HA -0.122 4.358 4.480 -0.000 0.000 0.259 13 M C 1.328 177.608 176.300 -0.032 0.000 1.086 13 M CA 0.703 55.989 55.300 -0.024 0.000 1.096 13 M CB -0.264 32.326 32.600 -0.017 0.000 1.424 13 M HN 0.124 nan 8.290 nan 0.000 0.488 14 D N 1.114 121.489 120.400 -0.042 0.000 2.162 14 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 14 D C 0.527 176.802 176.300 -0.041 0.000 0.967 14 D CA 1.022 54.997 54.000 -0.041 0.000 0.840 14 D CB 0.117 40.890 40.800 -0.045 0.000 0.972 14 D HN 0.316 nan 8.370 nan 0.000 0.482 15 K N 1.512 121.883 120.400 -0.049 0.000 2.502 15 K HA 0.096 4.416 4.320 -0.000 0.000 0.244 15 K C 1.392 177.971 176.600 -0.036 0.000 1.249 15 K CA -0.185 56.071 56.287 -0.053 0.000 1.193 15 K CB 0.813 33.262 32.500 -0.084 0.000 1.674 15 K HN -0.049 nan 8.250 nan 0.000 0.302 16 V N -1.782 118.118 119.914 -0.024 0.000 2.982 16 V HA -0.244 3.876 4.120 -0.000 0.000 0.265 16 V C 1.903 178.001 176.094 0.008 0.000 1.122 16 V CA 1.987 64.281 62.300 -0.011 0.000 1.143 16 V CB -1.388 30.422 31.823 -0.021 0.000 0.726 16 V HN 0.560 nan 8.190 nan 0.000 0.507 17 T N -1.680 112.877 114.554 0.006 0.000 2.995 17 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 17 T C 1.151 175.900 174.700 0.082 0.000 1.091 17 T CA 1.437 63.556 62.100 0.031 0.000 1.128 17 T CB -0.597 68.282 68.868 0.018 0.000 0.891 17 T HN 0.541 nan 8.240 nan 0.000 0.492 18 N N 0.706 119.436 118.700 0.050 0.000 2.380 18 N HA 0.410 5.150 4.740 -0.000 0.000 0.255 18 N C -1.124 174.484 175.510 0.163 0.000 1.158 18 N CA -0.154 52.961 53.050 0.110 0.000 0.878 18 N CB 0.943 39.267 38.487 -0.270 0.000 1.138 18 N HN 0.242 nan 8.380 nan 0.000 0.509 19 V N 0.576 120.563 119.914 0.122 0.000 2.815 19 V HA 0.554 4.674 4.120 -0.000 0.000 0.314 19 V C -0.253 175.895 176.094 0.090 0.000 1.064 19 V CA -0.808 61.549 62.300 0.095 0.000 0.952 19 V CB 2.167 34.016 31.823 0.044 0.000 1.020 19 V HN 0.108 nan 8.190 nan 0.000 0.439 20 R N 2.780 123.325 120.500 0.075 0.000 2.500 20 R HA 0.396 4.736 4.340 -0.000 0.000 0.299 20 R C -1.147 175.178 176.300 0.043 0.000 1.038 20 R CA -0.389 55.740 56.100 0.048 0.000 0.903 20 R CB 1.503 31.821 30.300 0.030 0.000 1.177 20 R HN 0.763 nan 8.270 nan 0.000 0.455 21 N N 3.756 122.477 118.700 0.035 0.000 2.437 21 N HA 0.501 5.241 4.740 -0.000 0.000 0.259 21 N C -0.146 175.388 175.510 0.040 0.000 0.983 21 N CA -0.485 52.588 53.050 0.039 0.000 0.937 21 N CB 1.071 39.574 38.487 0.026 0.000 1.122 21 N HN 0.379 nan 8.380 nan 0.000 0.499 22 M N -0.429 119.195 119.600 0.040 0.000 2.924 22 M HA 0.655 5.134 4.480 -0.000 0.000 0.271 22 M C -0.998 175.319 176.300 0.028 0.000 1.280 22 M CA -0.919 54.400 55.300 0.031 0.000 0.813 22 M CB 1.295 33.904 32.600 0.015 0.000 1.658 22 M HN 0.290 nan 8.290 nan 0.000 0.467 23 S N -0.786 114.923 115.700 0.014 0.000 2.705 23 S HA 0.952 5.422 4.470 -0.000 0.000 0.280 23 S C -1.458 173.134 174.600 -0.013 0.000 1.174 23 S CA -0.791 57.411 58.200 0.004 0.000 0.823 23 S CB 1.576 64.781 63.200 0.008 0.000 1.162 23 S HN 1.020 nan 8.310 nan 0.000 0.487 24 V N 1.460 121.361 119.914 -0.022 0.000 2.417 24 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 24 V C -0.637 175.435 176.094 -0.036 0.000 1.024 24 V CA -0.594 61.687 62.300 -0.032 0.000 0.861 24 V CB 1.067 32.871 31.823 -0.032 0.000 0.985 24 V HN 0.798 nan 8.190 nan 0.000 0.436 25 I N 4.329 124.875 120.570 -0.040 0.000 2.339 25 I HA 0.801 4.971 4.170 -0.000 0.000 0.290 25 I C 0.197 176.290 176.117 -0.039 0.000 0.994 25 I CA -0.212 61.061 61.300 -0.046 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 5.367 128.161 122.820 -0.044 0.000 2.566 26 A HA 0.401 4.721 4.320 -0.000 0.000 0.297 26 A C -1.192 176.346 177.584 -0.078 0.000 1.059 26 A CA -0.610 51.410 52.037 -0.029 0.000 0.691 26 A CB 1.333 20.339 19.000 0.010 0.000 1.282 26 A HN 0.729 nan 8.150 nan 0.000 0.401 27 H N 1.715 120.604 119.070 -0.302 0.000 2.707 27 H HA 0.408 4.963 4.556 -0.000 0.000 0.359 27 H C 0.518 175.639 175.328 -0.345 0.000 1.113 27 H CA 0.840 56.634 56.048 -0.423 0.000 1.422 27 H CB 1.193 30.484 29.762 -0.785 0.000 1.443 27 H HN 0.766 nan 8.280 nan 0.000 0.591 28 V N 2.606 122.461 119.914 -0.098 0.000 2.843 28 V HA -0.061 4.059 4.120 -0.000 0.000 0.305 28 V C 0.820 177.024 176.094 0.182 0.000 1.120 28 V CA 0.447 62.773 62.300 0.042 0.000 1.254 28 V CB 0.126 31.951 31.823 0.003 0.000 0.901 28 V HN 1.035 nan 8.190 nan 0.000 0.503 29 D N 0.084 120.564 120.400 0.133 0.000 2.946 29 D HA -0.233 4.407 4.640 -0.000 0.000 0.202 29 D C 0.887 177.326 176.300 0.231 0.000 1.068 29 D CA 1.950 56.045 54.000 0.158 0.000 1.011 29 D CB -1.080 39.816 40.800 0.160 0.000 1.105 29 D HN 0.998 nan 8.370 nan 0.000 0.425 30 H N 0.023 119.119 119.070 0.042 0.000 2.556 30 H HA 0.243 4.799 4.556 -0.000 0.000 0.268 30 H C 1.824 177.143 175.328 -0.015 0.000 0.996 30 H CA 0.588 56.640 56.048 0.007 0.000 1.157 30 H CB 0.426 30.197 29.762 0.014 0.000 1.355 30 H HN 0.403 nan 8.280 nan 0.000 0.597 31 G N 1.703 110.562 108.800 0.098 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 1.018 175.926 174.900 0.013 0.000 1.000 31 G CA 0.433 45.551 45.100 0.030 0.000 0.680 31 G HN 0.432 nan 8.290 nan 0.000 0.514 32 K N 0.555 120.969 120.400 0.023 0.000 2.063 32 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 32 K C 2.556 179.149 176.600 -0.011 0.000 1.048 32 K CA 2.183 58.470 56.287 -0.001 0.000 0.928 32 K CB -0.299 32.197 32.500 -0.006 0.000 0.713 32 K HN 0.337 nan 8.250 nan 0.000 0.442 33 S N 0.070 115.767 115.700 -0.006 0.000 2.345 33 S HA -0.143 4.327 4.470 -0.000 0.000 0.220 33 S C 2.046 176.641 174.600 -0.008 0.000 1.031 33 S CA 1.835 60.030 58.200 -0.009 0.000 0.996 33 S CB -0.546 62.650 63.200 -0.007 0.000 0.882 33 S HN 0.723 nan 8.310 nan 0.000 0.445 34 T N 0.953 115.504 114.554 -0.006 0.000 2.915 34 T HA 0.082 4.432 4.350 -0.000 0.000 0.269 34 T C 1.700 176.391 174.700 -0.014 0.000 1.071 34 T CA 0.736 62.832 62.100 -0.006 0.000 1.132 34 T CB -0.511 68.355 68.868 -0.004 0.000 0.878 34 T HN 0.242 nan 8.240 nan 0.000 0.479 35 L N 1.543 122.751 121.223 -0.024 0.000 2.072 35 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 35 L C 3.348 180.203 176.870 -0.025 0.000 1.079 35 L CA 1.751 56.569 54.840 -0.036 0.000 0.752 35 L CB -0.919 41.111 42.059 -0.049 0.000 0.906 35 L HN 0.537 nan 8.230 nan 0.000 0.436 36 T N -4.122 110.421 114.554 -0.019 0.000 2.904 36 T HA -0.153 4.196 4.350 -0.000 0.000 0.267 36 T C 1.478 176.176 174.700 -0.004 0.000 1.059 36 T CA 1.117 63.210 62.100 -0.012 0.000 1.137 36 T CB -0.245 68.615 68.868 -0.014 0.000 0.879 36 T HN 0.168 nan 8.240 nan 0.000 0.467 37 D N 1.298 121.696 120.400 -0.003 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 0.008 0.000 0.987 37 D CA 1.453 55.456 54.000 0.004 0.000 0.829 37 D CB -0.626 40.178 40.800 0.006 0.000 0.961 37 D HN 0.507 nan 8.370 nan 0.000 0.460 38 S N -0.085 115.617 115.700 0.004 0.000 2.359 38 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 38 S C 2.146 176.752 174.600 0.010 0.000 1.035 38 S CA 0.724 58.928 58.200 0.008 0.000 1.018 38 S CB -0.324 62.874 63.200 -0.004 0.000 0.876 38 S HN 0.193 nan 8.310 nan 0.000 0.448 39 L N 0.913 122.138 121.223 0.003 0.000 2.017 39 L HA -0.070 4.269 4.340 -0.000 0.000 0.208 39 L C 2.592 179.473 176.870 0.020 0.000 1.073 39 L CA 1.229 56.074 54.840 0.009 0.000 0.745 39 L CB -0.608 41.453 42.059 0.002 0.000 0.894 39 L HN 0.254 nan 8.230 nan 0.000 0.432 40 V N -0.475 119.450 119.914 0.018 0.000 2.343 40 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 40 V C 2.423 178.529 176.094 0.021 0.000 1.051 40 V CA 1.723 64.036 62.300 0.022 0.000 1.036 40 V CB -0.542 31.293 31.823 0.019 0.000 0.654 40 V HN 0.513 nan 8.190 nan 0.000 0.451 41 Q N -0.555 119.256 119.800 0.019 0.000 2.167 41 Q HA -0.227 4.112 4.340 -0.000 0.000 0.202 41 Q C 2.420 178.433 176.000 0.022 0.000 0.970 41 Q CA 1.564 57.378 55.803 0.019 0.000 0.855 41 Q CB -0.134 28.616 28.738 0.021 0.000 0.911 41 Q HN 0.479 nan 8.270 nan 0.000 0.438 42 R N 0.045 120.561 120.500 0.027 0.000 2.112 42 R HA 0.055 4.395 4.340 -0.000 0.000 0.216 42 R C 1.013 177.339 176.300 0.043 0.000 1.080 42 R CA 1.473 57.594 56.100 0.034 0.000 0.996 42 R CB 0.132 30.453 30.300 0.035 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 0.048 0.000 2.671 43 A HA 0.429 4.749 4.320 -0.000 0.000 0.265 43 A C 0.617 178.246 177.584 0.076 0.000 1.148 43 A CA -0.017 52.066 52.037 0.077 0.000 0.977 43 A CB 0.031 19.085 19.000 0.089 0.000 1.242 43 A HN 0.348 nan 8.150 nan 0.000 0.591 44 G N 0.357 109.182 108.800 0.042 0.000 2.474 44 G HA2 0.373 4.333 3.960 -0.000 0.000 0.233 44 G HA3 0.373 4.333 3.960 -0.000 0.000 0.233 44 G C -0.126 174.778 174.900 0.007 0.000 1.278 44 G CA 0.316 45.438 45.100 0.036 0.000 0.861 44 G HN 0.352 nan 8.290 nan 0.000 0.567 45 I N 1.067 121.652 120.570 0.025 0.000 2.493 45 I HA 0.482 4.652 4.170 -0.000 0.000 0.298 45 I C -0.045 176.066 176.117 -0.010 0.000 0.998 45 I CA -0.542 60.744 61.300 -0.023 0.000 1.137 45 I CB 1.866 39.924 38.000 0.097 0.000 1.310 45 I HN 0.224 nan 8.210 nan 0.000 0.445 46 I N 3.078 123.609 120.570 -0.065 0.000 2.769 46 I HA 0.239 4.409 4.170 -0.000 0.000 0.298 46 I C -0.081 176.015 176.117 -0.036 0.000 1.128 46 I CA -0.615 60.664 61.300 -0.034 0.000 1.031 46 I CB 2.375 40.344 38.000 -0.052 0.000 1.235 46 I HN 0.446 nan 8.210 nan 0.000 0.423 47 S N 3.019 118.709 115.700 -0.017 0.000 2.558 47 S HA 0.316 4.785 4.470 -0.000 0.000 0.288 47 S C 0.471 175.054 174.600 -0.030 0.000 1.318 47 S CA -0.454 57.741 58.200 -0.008 0.000 1.056 47 S CB 0.880 64.065 63.200 -0.026 0.000 0.853 47 S HN 0.654 nan 8.310 nan 0.000 0.505 68 I N 3.188 123.830 120.570 0.119 0.000 2.315 68 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 68 I C 0.592 176.810 176.117 0.168 0.000 1.006 68 I CA -0.300 61.065 61.300 0.109 0.000 1.265 68 I CB 1.693 39.760 38.000 0.112 0.000 1.387 68 I HN 0.195 nan 8.210 nan 0.000 0.475 69 T N 5.138 119.722 114.554 0.050 0.000 2.932 69 T HA 0.823 5.172 4.350 -0.000 0.000 0.289 69 T C -0.308 174.265 174.700 -0.211 0.000 1.039 69 T CA -0.739 61.303 62.100 -0.096 0.000 1.024 69 T CB 2.270 71.040 68.868 -0.164 0.000 1.090 69 T HN 0.510 nan 8.240 nan 0.000 0.496 70 I N -2.173 118.201 120.570 -0.325 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 -0.300 0.000 1.154 70 I CA -1.706 59.421 61.300 -0.288 0.000 0.962 70 I CB 2.221 40.091 38.000 -0.218 0.000 1.265 70 I HN 0.709 nan 8.210 nan 0.000 0.463 71 K N 2.013 122.261 120.400 -0.254 0.000 2.297 71 K HA 0.220 4.540 4.320 -0.000 0.000 0.286 71 K C 0.010 176.484 176.600 -0.210 0.000 1.053 71 K CA -0.161 55.994 56.287 -0.221 0.000 0.940 71 K CB 1.062 33.449 32.500 -0.188 0.000 1.019 71 K HN 0.712 nan 8.250 nan 0.000 0.475 72 S N 3.075 118.654 115.700 -0.201 0.000 2.596 72 S HA -0.016 4.454 4.470 -0.000 0.000 0.298 72 S C 0.335 174.838 174.600 -0.162 0.000 1.255 72 S CA 0.045 58.145 58.200 -0.167 0.000 1.083 72 S CB 0.192 63.312 63.200 -0.134 0.000 0.837 72 S HN 0.755 nan 8.310 nan 0.000 0.499 73 T N 3.895 118.342 114.554 -0.178 0.000 2.964 73 T HA 0.538 4.888 4.350 -0.000 0.000 0.249 73 T C 0.151 174.724 174.700 -0.212 0.000 1.000 73 T CA 0.406 62.349 62.100 -0.263 0.000 0.992 73 T CB 0.522 69.124 68.868 -0.443 0.000 1.087 73 T HN 0.822 nan 8.240 nan 0.000 0.489 74 A N 0.949 123.706 122.820 -0.105 0.000 2.589 74 A HA 0.769 5.089 4.320 -0.000 0.000 0.296 74 A C -1.897 175.697 177.584 0.018 0.000 1.062 74 A CA -0.779 51.245 52.037 -0.021 0.000 0.686 74 A CB 1.048 20.078 19.000 0.050 0.000 1.282 74 A HN 0.269 nan 8.150 nan 0.000 0.404 75 I N 0.800 121.391 120.570 0.035 0.000 2.608 75 I HA 0.481 4.651 4.170 -0.000 0.000 0.295 75 I C 0.001 176.161 176.117 0.071 0.000 1.049 75 I CA -0.663 60.667 61.300 0.050 0.000 1.063 75 I CB 2.504 40.524 38.000 0.034 0.000 1.248 75 I HN 0.511 nan 8.210 nan 0.000 0.424 76 S N 5.237 120.990 115.700 0.090 0.000 2.489 76 S HA 0.697 5.166 4.470 -0.000 0.000 0.291 76 S C -0.598 174.076 174.600 0.123 0.000 1.151 76 S CA -0.536 57.733 58.200 0.115 0.000 1.082 76 S CB 1.320 64.603 63.200 0.139 0.000 1.019 76 S HN 0.207 nan 8.310 nan 0.000 0.492 77 L N 2.591 123.897 121.223 0.139 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 0.149 0.000 0.819 77 L CB 1.206 43.322 42.059 0.094 0.000 1.323 77 L HN 0.731 nan 8.230 nan 0.000 0.425 78 Y N 0.982 121.357 120.300 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 0.158 0.000 0.965 78 Y CA -0.333 57.881 58.100 0.189 0.000 1.067 78 Y CB 2.001 40.630 38.460 0.282 0.000 1.199 78 Y HN 0.562 nan 8.280 nan 0.000 0.450 79 S N 4.513 119.913 115.700 -0.500 0.000 2.536 79 S HA 0.544 5.014 4.470 -0.000 0.000 0.271 79 S C -1.867 172.557 174.600 -0.294 0.000 1.134 79 S CA -0.721 57.312 58.200 -0.277 0.000 0.897 79 S CB 1.218 64.384 63.200 -0.057 0.000 1.094 79 S HN 0.765 nan 8.310 nan 0.000 0.473 80 E N 3.331 123.465 120.200 -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 0.013 0.000 0.761 80 E CB 1.649 31.374 29.700 0.042 0.000 1.156 80 E HN 0.476 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 0.308 4.788 4.480 -0.000 0.000 0.316 81 M C 0.350 176.700 176.300 0.083 0.000 1.200 81 M CA -0.839 54.523 55.300 0.103 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 -0.138 115.590 115.700 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 0.039 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 1.357 121.776 120.400 0.032 0.000 2.158 83 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 83 D C 1.961 178.275 176.300 0.023 0.000 0.995 83 D CA 1.998 56.015 54.000 0.029 0.000 0.846 83 D CB -0.159 40.653 40.800 0.020 0.000 0.941 83 D HN 0.959 nan 8.370 nan 0.000 0.456 84 E N 1.126 121.336 120.200 0.016 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 1.090 57.496 56.400 0.010 0.000 0.799 84 E CB -0.139 29.565 29.700 0.006 0.000 0.752 84 E HN -0.006 nan 8.360 nan 0.000 0.449 85 D N 1.125 121.526 120.400 0.003 0.000 2.106 85 D HA -0.164 4.476 4.640 -0.000 0.000 0.191 85 D C 2.199 178.489 176.300 -0.015 0.000 0.997 85 D CA 1.700 55.691 54.000 -0.016 0.000 0.834 85 D CB -0.448 40.340 40.800 -0.021 0.000 0.956 85 D HN 0.117 nan 8.370 nan 0.000 0.448 86 V N 0.829 120.760 119.914 0.027 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 -0.386 31.514 31.823 0.127 0.000 0.674 86 V HN 0.231 nan 8.190 nan 0.000 0.470 87 K N -0.353 120.057 120.400 0.016 0.000 2.217 87 K HA -0.120 4.200 4.320 -0.000 0.000 0.202 87 K C 2.025 178.621 176.600 -0.006 0.000 1.051 87 K CA 1.085 57.377 56.287 0.008 0.000 0.952 87 K CB -0.079 32.425 32.500 0.007 0.000 0.736 87 K HN 0.568 nan 8.250 nan 0.000 0.453 88 E N 0.679 120.866 120.200 -0.022 0.000 2.347 88 E HA -0.035 4.315 4.350 -0.000 0.000 0.196 88 E C 0.112 176.672 176.600 -0.067 0.000 1.008 88 E CA 0.170 56.546 56.400 -0.039 0.000 0.852 88 E CB 0.055 29.726 29.700 -0.049 0.000 0.783 88 E HN 0.264 nan 8.360 nan 0.000 0.505 89 I N 2.563 123.089 120.570 -0.073 0.000 2.671 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.285 89 I C 0.678 176.769 176.117 -0.044 0.000 1.148 89 I CA 0.508 61.752 61.300 -0.093 0.000 1.386 89 I CB 0.314 38.272 38.000 -0.069 0.000 1.406 89 I HN -0.174 nan 8.210 nan 0.000 0.540 90 K N 7.624 127.997 120.400 -0.044 0.000 3.225 90 K HA 0.022 4.342 4.320 -0.000 0.000 0.282 90 K C -0.023 176.581 176.600 0.007 0.000 1.060 90 K CA 0.006 56.289 56.287 -0.008 0.000 1.186 90 K CB -0.269 32.235 32.500 0.006 0.000 1.214 90 K HN 0.636 nan 8.250 nan 0.000 0.428 91 Q N -1.208 118.597 119.800 0.009 0.000 2.527 91 Q HA 0.222 4.562 4.340 -0.000 0.000 0.280 91 Q C -1.346 174.675 176.000 0.035 0.000 0.977 91 Q CA -1.112 54.706 55.803 0.026 0.000 0.837 91 Q CB 0.926 29.682 28.738 0.031 0.000 1.454 91 Q HN -0.118 nan 8.270 nan 0.000 0.387 92 K N 1.495 121.916 120.400 0.036 0.000 2.441 92 K HA 0.025 4.345 4.320 -0.000 0.000 0.273 92 K C -1.011 175.620 176.600 0.051 0.000 1.090 92 K CA 1.167 57.474 56.287 0.034 0.000 1.158 92 K CB 0.141 32.657 32.500 0.026 0.000 0.847 92 K HN 0.580 nan 8.250 nan 0.000 0.483 93 T N 3.276 117.860 114.554 0.050 0.000 2.876 93 T HA 0.151 4.500 4.350 -0.000 0.000 0.289 93 T C -1.156 173.551 174.700 0.011 0.000 1.014 93 T CA -0.773 61.368 62.100 0.069 0.000 0.986 93 T CB 1.414 70.358 68.868 0.126 0.000 1.021 93 T HN 0.477 nan 8.240 nan 0.000 0.458 94 D N 1.435 121.812 120.400 -0.039 0.000 2.412 94 D HA 0.525 5.165 4.640 -0.000 0.000 0.276 94 D C 0.488 176.705 176.300 -0.137 0.000 1.196 94 D CA 0.420 54.377 54.000 -0.072 0.000 0.905 94 D CB -0.066 40.694 40.800 -0.067 0.000 1.081 94 D HN 1.000 nan 8.370 nan 0.000 0.502 95 G N 2.859 111.591 108.800 -0.114 0.000 2.610 95 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.304 95 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.304 95 G C 0.274 175.045 174.900 -0.215 0.000 1.309 95 G CA -0.594 44.420 45.100 -0.143 0.000 0.906 95 G HN 0.364 nan 8.290 nan 0.000 0.521 96 N N -0.101 118.480 118.700 -0.197 0.000 2.203 96 N HA 0.294 5.034 4.740 -0.000 0.000 0.207 96 N C 0.372 175.683 175.510 -0.332 0.000 1.130 96 N CA 0.604 53.562 53.050 -0.153 0.000 0.861 96 N CB 0.931 39.417 38.487 -0.001 0.000 1.005 96 N HN 0.507 nan 8.380 nan 0.000 0.507 97 S N 0.362 115.733 115.700 -0.548 0.000 2.541 97 S HA 0.585 5.055 4.470 -0.000 0.000 0.283 97 S C -0.702 173.329 174.600 -0.949 0.000 1.196 97 S CA -0.334 57.551 58.200 -0.526 0.000 1.062 97 S CB 0.780 63.878 63.200 -0.171 0.000 1.009 97 S HN 0.037 nan 8.310 nan 0.000 0.502 98 F N 1.674 121.461 119.950 -0.271 0.000 2.578 98 F HA 0.545 5.072 4.527 -0.000 0.000 0.311 98 F C -0.577 175.158 175.800 -0.109 0.000 1.094 98 F CA -0.977 56.931 58.000 -0.153 0.000 0.923 98 F CB 1.416 40.334 39.000 -0.138 0.000 1.230 98 F HN 0.311 nan 8.300 nan 0.000 0.450 99 L N 4.682 125.993 121.223 0.146 0.000 2.305 99 L HA 0.696 5.035 4.340 -0.000 0.000 0.284 99 L C -1.211 175.740 176.870 0.136 0.000 1.013 99 L CA -0.374 54.560 54.840 0.158 0.000 0.819 99 L CB 0.837 42.974 42.059 0.130 0.000 1.227 99 L HN 0.504 nan 8.230 nan 0.000 0.417 100 I N 4.737 125.384 120.570 0.128 0.000 2.389 100 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 100 I C -0.441 175.727 176.117 0.087 0.000 0.999 100 I CA -0.427 60.927 61.300 0.090 0.000 1.129 100 I CB 1.380 39.419 38.000 0.065 0.000 1.288 100 I HN 0.632 nan 8.210 nan 0.000 0.444 101 N N 6.424 125.168 118.700 0.074 0.000 2.462 101 N HA 0.334 5.074 4.740 -0.000 0.000 0.242 101 N C -0.885 174.662 175.510 0.062 0.000 1.010 101 N CA -0.564 52.532 53.050 0.076 0.000 0.939 101 N CB 1.169 39.704 38.487 0.080 0.000 1.127 101 N HN 0.367 nan 8.380 nan 0.000 0.509 102 L N 4.828 126.083 121.223 0.054 0.000 2.282 102 L HA 0.415 4.755 4.340 -0.000 0.000 0.287 102 L C -0.831 176.059 176.870 0.032 0.000 1.075 102 L CA -0.221 54.640 54.840 0.034 0.000 0.839 102 L CB 0.040 42.113 42.059 0.023 0.000 1.219 102 L HN 0.495 nan 8.230 nan 0.000 0.434 103 I N 3.581 124.175 120.570 0.039 0.000 2.365 103 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 103 I C 0.197 176.311 176.117 -0.005 0.000 1.004 103 I CA -0.627 60.696 61.300 0.038 0.000 1.311 103 I CB 1.115 39.176 38.000 0.101 0.000 1.401 103 I HN 0.517 nan 8.210 nan 0.000 0.491 104 D N 4.909 125.278 120.400 -0.051 0.000 2.414 104 D HA 0.196 4.835 4.640 -0.000 0.000 0.242 104 D C -0.469 175.790 176.300 -0.070 0.000 1.129 104 D CA 0.209 54.165 54.000 -0.073 0.000 0.885 104 D CB 0.805 41.539 40.800 -0.109 0.000 1.198 104 D HN 0.550 nan 8.370 nan 0.000 0.437 105 S N 2.334 117.990 115.700 -0.073 0.000 2.526 105 S HA 0.717 5.187 4.470 -0.000 0.000 0.293 105 S C -2.628 171.886 174.600 -0.144 0.000 1.092 105 S CA -1.411 56.737 58.200 -0.088 0.000 0.980 105 S CB 1.638 64.797 63.200 -0.068 0.000 1.048 105 S HN 0.249 nan 8.310 nan 0.000 0.483 106 P HA 0.249 nan 4.420 nan 0.000 0.271 106 P C 0.912 177.975 177.300 -0.395 0.000 1.233 106 P CA -0.167 62.730 63.100 -0.339 0.000 0.795 106 P CB 0.188 31.504 31.700 -0.640 0.000 0.936 107 G N -1.054 107.555 108.800 -0.319 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 -0.216 174.541 174.900 -0.239 0.000 1.142 107 G CA 0.056 45.025 45.100 -0.218 0.000 0.759 107 G HN 0.702 nan 8.290 nan 0.000 0.550 108 H N -0.307 118.559 119.070 -0.341 0.000 2.742 108 H HA 0.495 5.051 4.556 -0.000 0.000 0.302 108 H C -0.375 174.233 175.328 -1.199 0.000 1.069 108 H CA -1.011 54.746 56.048 -0.486 0.000 1.446 108 H CB 1.423 30.856 29.762 -0.548 0.000 1.462 108 H HN -0.014 nan 8.280 nan 0.000 0.499 109 V N 1.538 121.859 119.914 0.679 0.000 2.260 109 V HA 0.230 4.350 4.120 -0.000 0.000 0.263 109 V C -0.447 175.698 176.094 0.085 0.000 1.036 109 V CA -0.711 69.691 62.300 13.503 0.000 0.874 109 V CB 0.026 32.303 31.823 0.757 0.000 1.116 109 V HN 0.998 nan 8.190 nan 0.000 0.454 110 D N 0.755 122.545 120.400 2.317 0.000 2.571 110 D HA 0.318 4.958 4.640 -0.000 0.000 0.239 110 D C 0.269 176.774 176.300 0.342 0.000 1.267 110 D CA -0.834 53.546 54.000 0.633 0.000 0.823 110 D CB -0.116 41.118 40.800 0.723 0.000 1.056 110 D HN 0.267 nan 8.370 nan 0.000 0.494 111 F N 0.553 119.958 119.950 -0.908 0.000 3.080 111 F HA -0.293 4.234 4.527 -0.000 0.000 0.292 111 F C 0.719 176.761 175.800 0.404 0.000 0.891 111 F CA 0.506 58.372 58.000 -0.223 0.000 1.086 111 F CB -2.122 36.628 39.000 -0.416 0.000 1.095 111 F HN 0.221 nan 8.300 nan 0.000 0.633 112 S N -0.435 115.949 115.700 1.140 0.000 2.593 112 S HA 0.355 4.825 4.470 -0.000 0.000 0.269 112 S C 1.265 176.031 174.600 0.278 0.000 1.334 112 S CA -0.155 58.281 58.200 0.393 0.000 1.015 112 S CB 1.697 64.934 63.200 0.062 0.000 0.912 112 S HN 0.525 nan 8.310 nan 0.000 0.541 113 S N 0.454 116.256 115.700 0.169 0.000 2.527 113 S HA -0.006 4.464 4.470 -0.000 0.000 0.222 113 S C 1.163 175.845 174.600 0.137 0.000 0.985 113 S CA 0.043 58.331 58.200 0.146 0.000 0.921 113 S CB -0.408 62.862 63.200 0.117 0.000 0.772 113 S HN 0.766 nan 8.310 nan 0.000 0.529 114 E N 1.771 122.052 120.200 0.135 0.000 2.107 114 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 114 E C 2.188 178.843 176.600 0.091 0.000 0.982 114 E CA 0.727 57.212 56.400 0.141 0.000 0.809 114 E CB -0.814 29.018 29.700 0.220 0.000 0.756 114 E HN 0.485 nan 8.360 nan 0.000 0.459 115 V N 1.674 121.606 119.914 0.031 0.000 2.323 115 V HA -0.189 3.930 4.120 -0.000 0.000 0.244 115 V C 2.371 178.517 176.094 0.087 0.000 1.041 115 V CA 2.085 64.376 62.300 -0.014 0.000 1.025 115 V CB -0.968 30.876 31.823 0.035 0.000 0.656 115 V HN 0.250 nan 8.190 nan 0.000 0.451 116 T N 0.571 115.206 114.554 0.134 0.000 2.737 116 T HA -0.217 4.132 4.350 -0.000 0.000 0.269 116 T C 2.033 176.819 174.700 0.144 0.000 1.040 116 T CA 1.729 63.907 62.100 0.131 0.000 1.142 116 T CB -0.423 68.527 68.868 0.136 0.000 0.861 116 T HN 0.576 nan 8.240 nan 0.000 0.456 117 A N 1.315 124.239 122.820 0.174 0.000 1.902 117 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 117 A C 2.654 180.385 177.584 0.245 0.000 1.181 117 A CA 1.819 54.004 52.037 0.246 0.000 0.623 117 A CB -1.097 18.050 19.000 0.245 0.000 0.818 117 A HN 0.512 nan 8.150 nan 0.000 0.443 118 A N -0.325 122.603 122.820 0.181 0.000 1.902 118 A HA -0.016 4.303 4.320 -0.000 0.000 0.217 118 A C 2.157 179.831 177.584 0.149 0.000 1.181 118 A CA 1.483 53.621 52.037 0.170 0.000 0.623 118 A CB -0.582 18.465 19.000 0.077 0.000 0.818 118 A HN 0.469 nan 8.150 nan 0.000 0.443 119 L N -1.322 119.968 121.223 0.112 0.000 2.093 119 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 119 L C 2.681 179.615 176.870 0.107 0.000 1.085 119 L CA 1.420 56.315 54.840 0.090 0.000 0.755 119 L CB -0.421 41.677 42.059 0.065 0.000 0.904 119 L HN 0.417 nan 8.230 nan 0.000 0.435 120 R N 0.480 121.055 120.500 0.125 0.000 2.139 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 120 R C 1.862 178.257 176.300 0.158 0.000 1.145 120 R CA 1.715 57.884 56.100 0.114 0.000 0.976 120 R CB -0.127 30.223 30.300 0.084 0.000 0.866 120 R HN 0.415 nan 8.270 nan 0.000 0.449 121 V N -1.749 118.272 119.914 0.177 0.000 3.633 121 V HA 0.164 4.284 4.120 -0.000 0.000 0.283 121 V C 0.474 176.624 176.094 0.092 0.000 1.305 121 V CA 0.379 62.761 62.300 0.137 0.000 1.153 121 V CB -0.437 31.468 31.823 0.138 0.000 0.950 121 V HN 0.308 nan 8.190 nan 0.000 0.432 122 T N -3.507 111.106 114.554 0.099 0.000 2.950 122 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 122 T C 0.045 174.787 174.700 0.070 0.000 1.035 122 T CA -0.209 61.935 62.100 0.074 0.000 1.028 122 T CB 2.360 71.269 68.868 0.069 0.000 1.109 122 T HN 0.187 nan 8.240 nan 0.000 0.514 123 D N -0.026 120.409 120.400 0.059 0.000 2.473 123 D HA 0.263 4.903 4.640 -0.000 0.000 0.242 123 D C 0.850 177.190 176.300 0.066 0.000 1.106 123 D CA 0.189 54.231 54.000 0.070 0.000 0.854 123 D CB 0.880 41.716 40.800 0.060 0.000 1.192 123 D HN 0.826 nan 8.370 nan 0.000 0.503 124 G N -0.054 108.773 108.800 0.045 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 0.014 0.000 1.341 124 G CA -0.498 44.620 45.100 0.030 0.000 0.916 124 G HN 0.132 nan 8.290 nan 0.000 0.474 125 A N -0.164 122.654 122.820 -0.003 0.000 2.486 125 A HA 0.670 4.990 4.320 -0.000 0.000 0.300 125 A C -1.541 176.020 177.584 -0.039 0.000 1.048 125 A CA -0.614 51.413 52.037 -0.017 0.000 0.696 125 A CB 1.956 20.945 19.000 -0.019 0.000 1.278 125 A HN 1.488 nan 8.150 nan 0.000 0.405 126 L N 3.239 124.435 121.223 -0.044 0.000 2.264 126 L HA 0.592 4.932 4.340 -0.000 0.000 0.287 126 L C -0.873 175.956 176.870 -0.069 0.000 1.039 126 L CA -0.173 54.627 54.840 -0.066 0.000 0.829 126 L CB 0.874 42.895 42.059 -0.062 0.000 1.211 126 L HN 0.387 nan 8.230 nan 0.000 0.427 127 V N 6.129 125.993 119.914 -0.084 0.000 2.385 127 V HA 0.320 4.440 4.120 -0.000 0.000 0.269 127 V C 0.191 176.237 176.094 -0.081 0.000 1.043 127 V CA -0.629 61.626 62.300 -0.075 0.000 0.906 127 V CB 1.201 32.977 31.823 -0.079 0.000 0.995 127 V HN 0.499 nan 8.190 nan 0.000 0.467 128 V N 6.250 126.138 119.914 -0.044 0.000 2.432 128 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 128 V C 0.048 176.167 176.094 0.041 0.000 1.043 128 V CA -0.318 61.966 62.300 -0.027 0.000 0.925 128 V CB 1.525 33.349 31.823 0.003 0.000 0.985 128 V HN 0.623 nan 8.190 nan 0.000 0.466 129 V N 3.410 123.322 119.914 -0.002 0.000 2.735 129 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 129 V C -0.459 175.598 176.094 -0.061 0.000 1.061 129 V CA -0.814 61.509 62.300 0.038 0.000 0.913 129 V CB 2.239 34.053 31.823 -0.015 0.000 1.005 129 V HN 0.943 nan 8.190 nan 0.000 0.428 130 D N 2.187 122.464 120.400 -0.205 0.000 2.304 130 D HA 0.246 4.886 4.640 -0.000 0.000 0.250 130 D C 1.248 177.477 176.300 -0.119 0.000 1.107 130 D CA 0.254 54.048 54.000 -0.344 0.000 0.885 130 D CB 1.796 42.113 40.800 -0.804 0.000 1.192 130 D HN 0.602 nan 8.370 nan 0.000 0.436 131 T N 3.236 117.773 114.554 -0.029 0.000 2.635 131 T HA -0.168 4.181 4.350 -0.000 0.000 0.267 131 T C 1.818 176.541 174.700 0.039 0.000 1.040 131 T CA 1.155 63.319 62.100 0.107 0.000 1.156 131 T CB -0.171 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 0.482 121.037 120.570 -0.025 0.000 2.188 132 I HA -0.058 4.112 4.170 -0.000 0.000 0.237 132 I C 2.581 178.673 176.117 -0.042 0.000 1.073 132 I CA 1.207 62.489 61.300 -0.030 0.000 1.359 132 I CB -0.402 37.577 38.000 -0.035 0.000 1.083 132 I HN 0.257 nan 8.210 nan 0.000 0.412 133 E N 0.982 121.130 120.200 -0.087 0.000 2.265 133 E HA -0.001 4.348 4.350 -0.000 0.000 0.196 133 E C 1.253 177.837 176.600 -0.026 0.000 0.996 133 E CA 0.573 56.936 56.400 -0.063 0.000 0.832 133 E CB -0.168 29.483 29.700 -0.082 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 -0.030 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 -0.059 174.875 174.900 0.056 0.000 1.263 134 G CA -0.263 44.846 45.100 0.014 0.000 0.928 134 G HN 0.139 nan 8.290 nan 0.000 0.572 135 V N 0.640 120.584 119.914 0.050 0.000 2.455 135 V HA 0.419 4.539 4.120 -0.000 0.000 0.273 135 V C 0.983 177.111 176.094 0.056 0.000 1.045 135 V CA -0.116 62.221 62.300 0.060 0.000 0.976 135 V CB 0.170 32.013 31.823 0.035 0.000 0.993 135 V HN 0.892 nan 8.190 nan 0.000 0.475 136 C N 3.847 123.186 119.300 0.065 0.000 2.401 136 C HA 0.416 4.876 4.460 -0.000 0.000 0.356 136 C C 2.051 177.101 174.990 0.100 0.000 1.192 136 C CA -0.246 58.806 59.018 0.056 0.000 2.028 136 C CB 1.574 29.274 27.740 -0.066 0.000 2.344 136 C HN 0.849 nan 8.230 nan 0.000 0.525 137 V N 0.508 120.482 119.914 0.101 0.000 2.317 137 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 137 V C 1.969 178.066 176.094 0.006 0.000 1.065 137 V CA 2.205 64.547 62.300 0.070 0.000 1.049 137 V CB -1.233 30.639 31.823 0.082 0.000 0.651 137 V HN 0.976 nan 8.190 nan 0.000 0.450 138 Q N 0.170 119.994 119.800 0.040 0.000 2.096 138 Q HA -0.170 4.169 4.340 -0.000 0.000 0.204 138 Q C 2.431 178.343 176.000 -0.148 0.000 0.982 138 Q CA 2.557 58.270 55.803 -0.150 0.000 0.850 138 Q CB -0.319 28.146 28.738 -0.455 0.000 0.901 138 Q HN 0.832 nan 8.270 nan 0.000 0.422 139 T N 0.390 114.925 114.554 -0.031 0.000 2.708 139 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 139 T C 1.566 176.213 174.700 -0.088 0.000 1.037 139 T CA 1.457 63.529 62.100 -0.047 0.000 1.146 139 T CB -0.229 68.647 68.868 0.014 0.000 0.865 139 T HN 0.400 nan 8.240 nan 0.000 0.435 140 E N 0.411 120.570 120.200 -0.068 0.000 2.110 140 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 140 E C 2.079 178.563 176.600 -0.193 0.000 0.988 140 E CA 1.264 57.617 56.400 -0.077 0.000 0.804 140 E CB -0.067 29.630 29.700 -0.005 0.000 0.745 140 E HN 0.379 nan 8.360 nan 0.000 0.458 141 T N 0.210 114.570 114.554 -0.324 0.000 2.708 141 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 141 T C 1.871 176.155 174.700 -0.693 0.000 1.037 141 T CA 1.380 63.042 62.100 -0.730 0.000 1.146 141 T CB -0.066 68.169 68.868 -1.056 0.000 0.865 141 T HN 0.041 nan 8.240 nan 0.000 0.435 142 V N 1.416 121.068 119.914 -0.437 0.000 2.488 142 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 142 V C 2.349 178.336 176.094 -0.178 0.000 1.046 142 V CA 0.924 63.064 62.300 -0.267 0.000 1.053 142 V CB -0.628 31.111 31.823 -0.140 0.000 0.679 142 V HN 0.307 nan 8.190 nan 0.000 0.458 143 L N 0.738 121.866 121.223 -0.159 0.000 2.046 143 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 143 L C 2.539 179.335 176.870 -0.123 0.000 1.077 143 L CA 2.104 56.879 54.840 -0.108 0.000 0.747 143 L CB -0.827 41.183 42.059 -0.082 0.000 0.896 143 L HN 0.220 nan 8.230 nan 0.000 0.432 144 R N -0.944 119.435 120.500 -0.202 0.000 2.073 144 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 144 R C 2.325 178.523 176.300 -0.170 0.000 1.134 144 R CA 1.989 57.901 56.100 -0.314 0.000 0.952 144 R CB -0.252 29.762 30.300 -0.475 0.000 0.850 144 R HN 0.560 nan 8.270 nan 0.000 0.433 145 Q N -0.460 119.275 119.800 -0.110 0.000 2.084 145 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 145 Q C 2.131 178.124 176.000 -0.012 0.000 0.978 145 Q CA 1.621 57.412 55.803 -0.020 0.000 0.844 145 Q CB -0.089 28.638 28.738 -0.018 0.000 0.898 145 Q HN 0.457 nan 8.270 nan 0.000 0.426 146 A N 0.906 123.707 122.820 -0.032 0.000 1.865 146 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 146 A C 2.045 179.634 177.584 0.008 0.000 1.191 146 A CA 1.229 53.263 52.037 -0.006 0.000 0.623 146 A CB -0.828 18.161 19.000 -0.019 0.000 0.826 146 A HN 0.322 nan 8.150 nan 0.000 0.444 147 L N -0.567 120.655 121.223 -0.002 0.000 2.127 147 L HA -0.161 4.178 4.340 -0.000 0.000 0.211 147 L C 2.672 179.565 176.870 0.039 0.000 1.089 147 L CA 0.985 55.840 54.840 0.025 0.000 0.757 147 L CB -0.738 41.351 42.059 0.049 0.000 0.899 147 L HN 0.515 nan 8.230 nan 0.000 0.434 148 G N -0.902 107.915 108.800 0.027 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 1.248 176.171 174.900 0.039 0.000 1.124 148 G CA 0.241 45.363 45.100 0.036 0.000 0.776 148 G HN 0.271 nan 8.290 nan 0.000 0.547 149 E N 0.145 120.371 120.200 0.043 0.000 2.451 149 E HA 0.144 4.494 4.350 -0.000 0.000 0.194 149 E C 0.496 177.143 176.600 0.079 0.000 1.027 149 E CA -0.460 55.972 56.400 0.053 0.000 0.914 149 E CB 0.122 29.854 29.700 0.054 0.000 1.054 149 E HN 0.347 nan 8.360 nan 0.000 0.461 150 R N 0.500 121.044 120.500 0.074 0.000 3.416 150 R HA -0.179 4.160 4.340 -0.000 0.000 0.263 150 R C -0.198 176.168 176.300 0.110 0.000 1.053 150 R CA 0.400 56.553 56.100 0.089 0.000 0.705 150 R CB -2.065 28.325 30.300 0.150 0.000 1.124 150 R HN 0.213 nan 8.270 nan 0.000 0.444 151 I N 0.717 121.330 120.570 0.072 0.000 2.440 151 I HA 0.158 4.328 4.170 -0.000 0.000 0.294 151 I C 0.809 176.950 176.117 0.039 0.000 0.995 151 I CA -0.394 60.945 61.300 0.065 0.000 1.306 151 I CB 1.329 39.356 38.000 0.045 0.000 1.407 151 I HN 0.021 nan 8.210 nan 0.000 0.501 152 K N 7.920 128.344 120.400 0.041 0.000 2.201 152 K HA 0.453 4.773 4.320 -0.000 0.000 0.278 152 K C -2.530 174.067 176.600 -0.006 0.000 1.027 152 K CA -1.515 54.782 56.287 0.016 0.000 0.909 152 K CB 1.224 33.742 32.500 0.030 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 -1.249 175.999 177.300 -0.087 0.000 1.283 153 P CA -0.668 62.398 63.100 -0.056 0.000 0.869 153 P CB 1.927 33.588 31.700 -0.064 0.000 1.100 154 V N 2.028 121.879 119.914 -0.104 0.000 2.851 154 V HA 0.289 4.409 4.120 -0.000 0.000 0.307 154 V C -0.325 175.669 176.094 -0.167 0.000 1.129 154 V CA -0.726 61.487 62.300 -0.144 0.000 0.932 154 V CB 2.699 34.457 31.823 -0.109 0.000 1.024 154 V HN 0.270 nan 8.190 nan 0.000 0.426 155 V N 5.042 124.818 119.914 -0.230 0.000 2.769 155 V HA 0.675 4.795 4.120 -0.000 0.000 0.312 155 V C -0.668 175.227 176.094 -0.333 0.000 1.058 155 V CA -0.574 61.573 62.300 -0.255 0.000 0.952 155 V CB 2.236 33.893 31.823 -0.277 0.000 1.019 155 V HN 0.582 nan 8.190 nan 0.000 0.445 156 V N 4.780 124.514 119.914 -0.301 0.000 2.482 156 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 156 V C -0.361 175.542 176.094 -0.318 0.000 1.026 156 V CA -0.333 61.757 62.300 -0.350 0.000 0.856 156 V CB 1.714 33.389 31.823 -0.247 0.000 1.001 156 V HN 0.663 nan 8.190 nan 0.000 0.424 157 I N 4.595 124.905 120.570 -0.433 0.000 2.308 157 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 157 I C 0.410 176.421 176.117 -0.176 0.000 1.078 157 I CA 0.126 61.267 61.300 -0.266 0.000 1.292 157 I CB 0.635 38.452 38.000 -0.305 0.000 1.423 157 I HN 0.596 nan 8.210 nan 0.000 0.493 158 N N 4.656 123.280 118.700 -0.127 0.000 2.447 158 N HA 0.225 4.965 4.740 -0.000 0.000 0.271 158 N C 0.144 175.607 175.510 -0.079 0.000 1.226 158 N CA -0.312 52.666 53.050 -0.121 0.000 0.980 158 N CB 0.706 39.124 38.487 -0.115 0.000 1.206 158 N HN 0.294 nan 8.380 nan 0.000 0.558 159 K N -0.815 119.527 120.400 -0.098 0.000 3.160 159 K HA -0.139 4.181 4.320 -0.000 0.000 0.280 159 K C 0.667 177.265 176.600 -0.003 0.000 1.154 159 K CA 0.651 56.893 56.287 -0.076 0.000 0.822 159 K CB -1.862 30.587 32.500 -0.086 0.000 1.239 159 K HN 0.326 nan 8.250 nan 0.000 0.489 160 V N 0.161 120.102 119.914 0.044 0.000 2.469 160 V HA -0.329 3.790 4.120 -0.000 0.000 0.251 160 V C 2.065 178.255 176.094 0.159 0.000 1.064 160 V CA 2.346 64.753 62.300 0.178 0.000 1.066 160 V CB -0.571 31.428 31.823 0.293 0.000 0.667 160 V HN 0.679 nan 8.190 nan 0.000 0.461 161 D N -0.120 120.359 120.400 0.131 0.000 2.182 161 D HA -0.240 4.400 4.640 -0.000 0.000 0.201 161 D C 2.169 178.541 176.300 0.121 0.000 0.986 161 D CA 1.146 55.261 54.000 0.191 0.000 0.847 161 D CB -0.315 40.520 40.800 0.059 0.000 0.942 161 D HN 0.289 nan 8.370 nan 0.000 0.467 162 R N 0.244 120.775 120.500 0.052 0.000 2.081 162 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 162 R C 2.447 178.777 176.300 0.049 0.000 1.131 162 R CA 1.302 57.427 56.100 0.041 0.000 0.960 162 R CB -0.460 29.846 30.300 0.010 0.000 0.856 162 R HN 0.372 nan 8.270 nan 0.000 0.436 163 A N 0.877 123.727 122.820 0.050 0.000 2.015 163 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 163 A C 2.133 179.733 177.584 0.027 0.000 1.163 163 A CA 0.994 53.051 52.037 0.033 0.000 0.646 163 A CB -0.256 18.758 19.000 0.022 0.000 0.806 163 A HN 0.163 nan 8.150 nan 0.000 0.448 164 L N -1.628 119.614 121.223 0.030 0.000 2.168 164 L HA 0.002 4.341 4.340 -0.000 0.000 0.203 164 L C 2.261 179.164 176.870 0.054 0.000 1.078 164 L CA 0.286 55.114 54.840 -0.019 0.000 0.780 164 L CB -0.453 41.534 42.059 -0.119 0.000 0.939 164 L HN 0.235 nan 8.230 nan 0.000 0.451 165 L N -0.101 121.189 121.223 0.112 0.000 2.084 165 L HA -0.029 4.311 4.340 -0.000 0.000 0.202 165 L C 2.421 179.340 176.870 0.081 0.000 1.074 165 L CA 1.621 56.532 54.840 0.118 0.000 0.757 165 L CB -0.716 41.439 42.059 0.160 0.000 0.918 165 L HN 0.162 nan 8.230 nan 0.000 0.444 166 E N -0.756 119.485 120.200 0.069 0.000 2.014 166 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 166 E C 1.913 178.538 176.600 0.042 0.000 0.980 166 E CA 0.700 57.131 56.400 0.052 0.000 0.807 166 E CB -0.177 29.548 29.700 0.043 0.000 0.770 166 E HN 0.121 nan 8.360 nan 0.000 0.451 167 L N 1.072 122.316 121.223 0.036 0.000 2.465 167 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 167 L C 0.629 177.519 176.870 0.033 0.000 1.145 167 L CA 1.106 55.964 54.840 0.029 0.000 0.834 167 L CB -0.611 41.461 42.059 0.021 0.000 0.944 167 L HN 0.164 nan 8.230 nan 0.000 0.451 168 Q N -1.560 118.264 119.800 0.039 0.000 2.422 168 Q HA -0.219 4.121 4.340 -0.000 0.000 0.245 168 Q C 0.279 176.310 176.000 0.052 0.000 0.922 168 Q CA 0.346 56.175 55.803 0.044 0.000 1.192 168 Q CB -2.239 26.526 28.738 0.045 0.000 1.641 168 Q HN 0.325 nan 8.270 nan 0.000 0.552 169 V N 1.379 121.320 119.914 0.045 0.000 3.083 169 V HA -0.048 4.072 4.120 -0.000 0.000 0.303 169 V C 1.164 177.316 176.094 0.097 0.000 1.151 169 V CA 0.991 63.321 62.300 0.050 0.000 1.275 169 V CB 0.960 32.797 31.823 0.023 0.000 0.950 169 V HN 0.451 nan 8.190 nan 0.000 0.506 170 S N 3.004 118.753 115.700 0.082 0.000 2.672 170 S HA 0.389 4.858 4.470 -0.000 0.000 0.276 170 S C 0.718 175.373 174.600 0.092 0.000 1.207 170 S CA -0.705 57.554 58.200 0.100 0.000 1.002 170 S CB 1.315 64.541 63.200 0.044 0.000 0.998 170 S HN 0.615 nan 8.310 nan 0.000 0.542 171 K N 0.592 121.003 120.400 0.019 0.000 2.020 171 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 171 K C 2.016 178.615 176.600 -0.003 0.000 1.050 171 K CA 1.952 58.185 56.287 -0.090 0.000 0.929 171 K CB -0.338 31.925 32.500 -0.395 0.000 0.714 171 K HN 0.750 nan 8.250 nan 0.000 0.443 172 E N 1.239 121.433 120.200 -0.009 0.000 2.204 172 E HA -0.168 4.181 4.350 -0.000 0.000 0.194 172 E C 1.308 177.958 176.600 0.085 0.000 0.989 172 E CA 1.417 57.847 56.400 0.049 0.000 0.824 172 E CB -0.038 29.670 29.700 0.015 0.000 0.756 172 E HN 0.201 nan 8.360 nan 0.000 0.477 173 D N -0.324 120.096 120.400 0.035 0.000 2.123 173 D HA -0.118 4.521 4.640 -0.000 0.000 0.200 173 D C 1.867 178.135 176.300 -0.053 0.000 0.976 173 D CA 0.575 54.579 54.000 0.007 0.000 0.831 173 D CB -0.251 40.551 40.800 0.004 0.000 0.974 173 D HN 0.211 nan 8.370 nan 0.000 0.469 174 L N 0.465 121.641 121.223 -0.080 0.000 2.017 174 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 174 L C 2.247 178.854 176.870 -0.440 0.000 1.073 174 L CA 1.508 56.167 54.840 -0.303 0.000 0.745 174 L CB -1.045 40.891 42.059 -0.206 0.000 0.894 174 L HN 0.010 nan 8.230 nan 0.000 0.432 175 Y N 0.217 120.395 120.300 -0.205 0.000 2.053 175 Y HA -0.329 4.221 4.550 -0.000 0.000 0.277 175 Y C 2.608 178.502 175.900 -0.010 0.000 1.159 175 Y CA 2.302 60.368 58.100 -0.056 0.000 1.125 175 Y CB -0.537 37.905 38.460 -0.029 0.000 0.969 175 Y HN 0.298 nan 8.280 nan 0.000 0.492 176 Q N -0.221 119.501 119.800 -0.129 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 2.346 58.053 55.803 -0.161 0.000 0.858 176 Q CB -1.051 27.688 28.738 0.002 0.000 0.905 176 Q HN 0.567 nan 8.270 nan 0.000 0.420 177 T N 1.033 115.510 114.554 -0.129 0.000 2.708 177 T HA -0.103 4.246 4.350 -0.000 0.000 0.266 177 T C 1.574 176.320 174.700 0.076 0.000 1.037 177 T CA 1.055 63.119 62.100 -0.061 0.000 1.146 177 T CB -0.282 68.519 68.868 -0.113 0.000 0.865 177 T HN 0.108 nan 8.240 nan 0.000 0.435 178 F N 1.882 121.826 119.950 -0.011 0.000 2.095 178 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 178 F C 2.746 178.550 175.800 0.005 0.000 1.104 178 F CA 0.273 58.320 58.000 0.078 0.000 1.232 178 F CB -1.499 37.616 39.000 0.192 0.000 0.987 178 F HN 0.160 nan 8.300 nan 0.000 0.475 179 A N -0.021 122.809 122.820 0.017 0.000 1.933 179 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 179 A C 2.395 179.985 177.584 0.011 0.000 1.175 179 A CA 1.423 53.434 52.037 -0.044 0.000 0.628 179 A CB -0.604 18.209 19.000 -0.312 0.000 0.814 179 A HN 0.311 nan 8.150 nan 0.000 0.444 180 R N -1.143 119.360 120.500 0.004 0.000 2.090 180 R HA -0.054 4.286 4.340 -0.000 0.000 0.228 180 R C 2.148 178.467 176.300 0.032 0.000 1.110 180 R CA 1.632 57.742 56.100 0.018 0.000 0.973 180 R CB -0.606 29.701 30.300 0.012 0.000 0.869 180 R HN 0.498 nan 8.270 nan 0.000 0.440 181 T N 0.788 115.376 114.554 0.058 0.000 2.821 181 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 181 T C 1.950 176.655 174.700 0.008 0.000 1.046 181 T CA 1.048 63.175 62.100 0.045 0.000 1.139 181 T CB -0.044 68.873 68.868 0.081 0.000 0.871 181 T HN -0.010 nan 8.240 nan 0.000 0.454 182 V N 1.378 121.299 119.914 0.011 0.000 2.515 182 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 182 V C 2.679 178.747 176.094 -0.044 0.000 1.058 182 V CA 1.341 63.616 62.300 -0.041 0.000 1.064 182 V CB -0.417 31.394 31.823 -0.020 0.000 0.675 182 V HN 0.362 nan 8.190 nan 0.000 0.461 183 E N 0.335 120.530 120.200 -0.007 0.000 2.072 183 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 183 E C 2.494 179.088 176.600 -0.010 0.000 0.982 183 E CA 1.364 57.761 56.400 -0.006 0.000 0.803 183 E CB -0.138 29.572 29.700 0.017 0.000 0.755 183 E HN 0.572 nan 8.360 nan 0.000 0.453 184 S N 0.243 115.943 115.700 -0.000 0.000 2.370 184 S HA -0.132 4.338 4.470 -0.000 0.000 0.226 184 S C 2.171 176.770 174.600 -0.001 0.000 1.033 184 S CA 1.206 59.410 58.200 0.008 0.000 1.011 184 S CB -0.231 62.979 63.200 0.016 0.000 0.852 184 S HN 0.081 nan 8.310 nan 0.000 0.457 185 V N 2.815 122.715 119.914 -0.024 0.000 2.358 185 V HA -0.111 4.009 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 1.433 63.709 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 -0.204 118.451 118.700 -0.076 0.000 2.571 186 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 186 N C 1.443 176.926 175.510 -0.045 0.000 1.154 186 N CA 0.542 53.536 53.050 -0.093 0.000 0.907 186 N CB 0.287 38.683 38.487 -0.152 0.000 0.977 186 N HN 0.338 nan 8.380 nan 0.000 0.449 187 V N 0.674 120.578 119.914 -0.016 0.000 2.446 187 V HA 0.001 4.121 4.120 -0.000 0.000 0.244 187 V C 2.087 178.196 176.094 0.025 0.000 1.039 187 V CA 0.766 63.066 62.300 0.000 0.000 1.045 187 V CB -0.034 31.797 31.823 0.013 0.000 0.681 187 V HN 0.161 nan 8.190 nan 0.000 0.459 188 I N -0.538 120.070 120.570 0.063 0.000 2.252 188 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 188 I C 2.328 178.550 176.117 0.176 0.000 1.102 188 I CA 1.094 62.494 61.300 0.167 0.000 1.385 188 I CB -0.333 37.745 38.000 0.130 0.000 1.064 188 I HN 0.135 nan 8.210 nan 0.000 0.414 189 V N 0.885 120.838 119.914 0.065 0.000 2.270 189 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 189 V C 2.642 178.749 176.094 0.021 0.000 1.043 189 V CA 2.265 64.588 62.300 0.039 0.000 1.014 189 V CB -0.851 30.954 31.823 -0.029 0.000 0.645 189 V HN 0.595 nan 8.190 nan 0.000 0.447 190 S N -0.748 114.943 115.700 -0.015 0.000 2.419 190 S HA -0.223 4.247 4.470 -0.000 0.000 0.235 190 S C 1.829 176.390 174.600 -0.065 0.000 1.019 190 S CA 1.953 60.133 58.200 -0.032 0.000 0.982 190 S CB -0.701 62.479 63.200 -0.033 0.000 0.789 190 S HN 0.593 nan 8.310 nan 0.000 0.490 191 T N 0.557 115.048 114.554 -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 1.183 63.102 62.100 -0.301 0.000 1.140 191 T CB -0.320 68.254 68.868 -0.489 0.000 0.872 191 T HN 0.631 nan 8.240 nan 0.000 0.446 192 Y N 0.765 121.057 120.300 -0.014 0.000 2.458 192 Y HA 0.598 5.148 4.550 -0.000 0.000 0.254 192 Y C 1.188 177.078 175.900 -0.017 0.000 1.120 192 Y CA -0.968 57.124 58.100 -0.013 0.000 1.282 192 Y CB 0.073 38.532 38.460 -0.002 0.000 1.109 192 Y HN 0.075 nan 8.280 nan 0.000 0.526 193 A N 0.530 123.409 122.820 0.098 0.000 2.401 193 A HA 0.192 4.512 4.320 -0.000 0.000 0.259 193 A C -0.565 177.025 177.584 0.010 0.000 1.103 193 A CA -0.516 51.547 52.037 0.044 0.000 0.789 193 A CB -0.164 18.845 19.000 0.014 0.000 1.035 193 A HN 0.208 nan 8.150 nan 0.000 0.491 194 D N 1.992 122.391 120.400 -0.002 0.000 2.434 194 D HA 0.176 4.816 4.640 -0.000 0.000 0.252 194 D C 1.086 177.363 176.300 -0.039 0.000 1.185 194 D CA 0.478 54.466 54.000 -0.020 0.000 0.886 194 D CB 0.673 41.456 40.800 -0.029 0.000 1.148 194 D HN 0.656 nan 8.370 nan 0.000 0.483 195 E N 1.156 121.336 120.200 -0.032 0.000 2.273 195 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 195 E C 1.671 178.245 176.600 -0.043 0.000 1.002 195 E CA 0.579 56.959 56.400 -0.033 0.000 0.828 195 E CB 0.105 29.789 29.700 -0.027 0.000 0.747 195 E HN 0.306 nan 8.360 nan 0.000 0.491 196 V N 0.812 120.694 119.914 -0.054 0.000 2.759 196 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 196 V C 1.772 177.799 176.094 -0.111 0.000 1.080 196 V CA 1.059 63.318 62.300 -0.068 0.000 1.101 196 V CB -0.276 31.509 31.823 -0.064 0.000 0.698 196 V HN 0.210 nan 8.190 nan 0.000 0.477 197 L N 0.150 121.291 121.223 -0.136 0.000 2.478 197 L HA 0.376 4.716 4.340 -0.000 0.000 0.223 197 L C 1.474 178.284 176.870 -0.100 0.000 1.140 197 L CA 1.418 56.150 54.840 -0.180 0.000 0.842 197 L CB -1.224 40.722 42.059 -0.188 0.000 0.953 197 L HN 0.482 nan 8.230 nan 0.000 0.452 198 G N -0.702 108.061 108.800 -0.062 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 -0.513 174.380 174.900 -0.012 0.000 1.209 198 G CA -0.095 44.987 45.100 -0.029 0.000 0.929 198 G HN 0.160 nan 8.290 nan 0.000 0.578 199 D N 0.523 120.931 120.400 0.014 0.000 2.411 199 D HA 0.421 5.061 4.640 -0.000 0.000 0.225 199 D C 0.971 177.291 176.300 0.034 0.000 1.156 199 D CA 0.406 54.432 54.000 0.043 0.000 0.874 199 D CB 1.123 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 4.251 124.163 119.914 -0.003 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 -0.065 0.000 1.346 200 V CA 0.139 62.425 62.300 -0.024 0.000 1.156 200 V CB -0.465 31.339 31.823 -0.031 0.000 1.029 200 V HN 0.501 nan 8.190 nan 0.000 0.428 201 Q N -0.024 119.720 119.800 -0.093 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 -0.380 0.000 1.062 201 Q CA 0.099 55.750 55.803 -0.253 0.000 0.967 201 Q CB 1.472 29.995 28.738 -0.358 0.000 1.273 201 Q HN 0.329 nan 8.270 nan 0.000 0.554 202 V N 1.566 121.178 119.914 -0.503 0.000 2.483 202 V HA 0.314 4.434 4.120 -0.000 0.000 0.295 202 V C -1.276 174.429 176.094 -0.648 0.000 1.035 202 V CA -0.551 61.477 62.300 -0.454 0.000 0.896 202 V CB 0.770 32.403 31.823 -0.317 0.000 0.986 202 V HN 0.554 nan 8.190 nan 0.000 0.447 203 Y N 4.740 124.914 120.300 -0.209 0.000 2.329 203 Y HA 0.379 4.929 4.550 -0.000 0.000 0.328 203 Y C -1.945 173.728 175.900 -0.378 0.000 0.992 203 Y CA -2.159 55.805 58.100 -0.226 0.000 1.151 203 Y CB 1.964 40.336 38.460 -0.147 0.000 1.150 203 Y HN 0.424 nan 8.280 nan 0.000 0.450 204 P HA -0.259 nan 4.420 nan 0.000 0.216 204 P C 1.331 178.255 177.300 -0.628 0.000 1.153 204 P CA 2.513 65.164 63.100 -0.748 0.000 0.858 204 P CB 0.342 31.090 31.700 -1.588 0.000 0.789 205 A N -0.265 122.157 122.820 -0.665 0.000 2.019 205 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 205 A C 2.011 179.553 177.584 -0.070 0.000 1.164 205 A CA 1.313 53.223 52.037 -0.213 0.000 0.644 205 A CB -0.912 18.111 19.000 0.039 0.000 0.805 205 A HN 0.151 nan 8.150 nan 0.000 0.449 206 R N -1.343 119.105 120.500 -0.085 0.000 2.310 206 R HA 0.228 4.568 4.340 -0.000 0.000 0.202 206 R C 1.135 177.381 176.300 -0.089 0.000 0.933 206 R CA 0.471 56.542 56.100 -0.048 0.000 1.054 206 R CB -0.064 30.216 30.300 -0.033 0.000 0.985 206 R HN 0.644 nan 8.270 nan 0.000 0.489 207 G N 1.208 109.937 108.800 -0.118 0.000 2.143 207 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 207 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 207 G C 0.679 175.404 174.900 -0.291 0.000 0.991 207 G CA 0.751 45.796 45.100 -0.092 0.000 0.689 207 G HN 0.436 nan 8.290 nan 0.000 0.522 208 T N -2.469 111.832 114.554 -0.421 0.000 3.186 208 T HA 0.584 4.934 4.350 -0.000 0.000 0.257 208 T C 0.241 174.721 174.700 -0.367 0.000 1.029 208 T CA 0.277 62.110 62.100 -0.446 0.000 0.916 208 T CB 1.091 69.688 68.868 -0.451 0.000 1.041 208 T HN 0.826 nan 8.240 nan 0.000 0.562 209 V N 1.058 120.729 119.914 -0.405 0.000 2.623 209 V HA 0.800 4.920 4.120 -0.000 0.000 0.304 209 V C -0.229 175.432 176.094 -0.721 0.000 1.054 209 V CA -1.248 60.700 62.300 -0.585 0.000 0.882 209 V CB 1.436 32.842 31.823 -0.695 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 -0.779 0.000 2.330 210 A HA 1.015 5.335 4.320 -0.000 0.000 0.329 210 A C -1.282 175.660 177.584 -1.070 0.000 1.135 210 A CA -0.423 51.188 52.037 -0.710 0.000 0.817 210 A CB 1.134 19.892 19.000 -0.404 0.000 1.269 210 A HN 0.652 nan 8.150 nan 0.000 0.469 211 F N -0.033 119.594 119.950 -0.538 0.000 2.556 211 F HA 0.737 5.264 4.527 -0.000 0.000 0.314 211 F C 0.724 176.264 175.800 -0.433 0.000 1.106 211 F CA 0.344 58.034 58.000 -0.515 0.000 0.911 211 F CB 2.703 41.364 39.000 -0.564 0.000 1.190 211 F HN 1.040 nan 8.300 nan 0.000 0.448 212 G N 0.427 109.088 108.800 -0.233 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 -1.847 172.765 174.900 -0.481 0.000 1.246 212 G CA -0.692 44.059 45.100 -0.581 0.000 0.889 212 G HN 0.665 nan 8.290 nan 0.000 0.486 213 S N -0.717 114.582 115.700 -0.668 0.000 2.789 213 S HA 0.541 5.010 4.470 -0.000 0.000 0.286 213 S C 1.195 175.615 174.600 -0.300 0.000 1.153 213 S CA 0.763 58.733 58.200 -0.383 0.000 1.084 213 S CB 0.807 63.839 63.200 -0.281 0.000 1.036 213 S HN 1.765 nan 8.310 nan 0.000 0.484 214 G N 3.424 112.105 108.800 -0.198 0.000 2.448 214 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 214 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 214 G C 1.145 176.010 174.900 -0.059 0.000 1.127 214 G CA 0.945 45.972 45.100 -0.122 0.000 0.766 214 G HN 0.653 nan 8.290 nan 0.000 0.552 215 L N -0.442 120.743 121.223 -0.064 0.000 2.095 215 L HA 0.139 4.479 4.340 -0.000 0.000 0.204 215 L C 2.441 179.417 176.870 0.175 0.000 1.080 215 L CA 1.568 56.418 54.840 0.018 0.000 0.759 215 L CB -0.297 41.741 42.059 -0.034 0.000 0.914 215 L HN 0.167 nan 8.230 nan 0.000 0.439 216 H N -0.027 119.068 119.070 0.041 0.000 2.512 216 H HA 0.349 4.905 4.556 -0.000 0.000 0.279 216 H C 1.559 176.967 175.328 0.134 0.000 0.999 216 H CA 0.122 56.242 56.048 0.120 0.000 1.283 216 H CB -0.105 29.807 29.762 0.250 0.000 1.421 216 H HN 0.422 nan 8.280 nan 0.000 0.554 217 G N -0.278 108.600 108.800 0.131 0.000 2.140 217 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.211 217 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.211 217 G C -0.108 174.927 174.900 0.225 0.000 1.013 217 G CA 0.169 45.349 45.100 0.133 0.000 0.705 217 G HN 0.431 nan 8.290 nan 0.000 0.508 218 W N -0.940 120.439 121.300 0.132 0.000 2.936 218 W HA 0.858 5.518 4.660 -0.000 0.000 0.338 218 W C -0.297 176.306 176.519 0.140 0.000 1.121 218 W CA -1.367 56.064 57.345 0.143 0.000 1.209 218 W CB 1.432 31.013 29.460 0.201 0.000 1.420 218 W HN 1.131 nan 8.180 nan 0.000 0.516 219 A N 2.913 125.953 122.820 0.368 0.000 2.586 219 A HA 0.883 5.203 4.320 -0.000 0.000 0.291 219 A C -2.064 175.727 177.584 0.345 0.000 1.062 219 A CA -0.734 51.418 52.037 0.191 0.000 0.666 219 A CB 1.510 20.472 19.000 -0.063 0.000 1.281 219 A HN 1.210 nan 8.150 nan 0.000 0.421 220 F N -1.310 118.788 119.950 0.247 0.000 2.711 220 F HA 0.883 5.410 4.527 -0.000 0.000 0.313 220 F C -0.288 175.656 175.800 0.241 0.000 1.141 220 F CA -0.151 57.981 58.000 0.220 0.000 0.941 220 F CB 1.229 40.430 39.000 0.335 0.000 1.349 220 F HN 0.964 nan 8.300 nan 0.000 0.464 221 T N -0.712 114.124 114.554 0.469 0.000 2.924 221 T HA 0.482 4.832 4.350 -0.000 0.000 0.291 221 T C 0.629 175.679 174.700 0.584 0.000 1.045 221 T CA -0.811 61.501 62.100 0.353 0.000 1.015 221 T CB 1.609 70.579 68.868 0.169 0.000 1.103 221 T HN 0.652 nan 8.240 nan 0.000 0.496 222 I N 0.439 121.293 120.570 0.473 0.000 2.286 222 I HA -0.086 4.083 4.170 -0.000 0.000 0.248 222 I C 2.714 179.025 176.117 0.324 0.000 1.115 222 I CA 1.295 62.879 61.300 0.473 0.000 1.392 222 I CB -1.089 37.129 38.000 0.362 0.000 1.065 222 I HN 0.834 nan 8.210 nan 0.000 0.418 223 R N 1.144 121.774 120.500 0.217 0.000 2.096 223 R HA -0.236 4.104 4.340 -0.000 0.000 0.240 223 R C 2.294 178.644 176.300 0.084 0.000 1.139 223 R CA 1.854 58.030 56.100 0.128 0.000 0.952 223 R CB -0.118 30.238 30.300 0.093 0.000 0.854 223 R HN 0.463 nan 8.270 nan 0.000 0.436 224 Q N -0.957 118.889 119.800 0.077 0.000 2.124 224 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 224 Q C 1.964 177.848 176.000 -0.194 0.000 0.977 224 Q CA 1.682 57.446 55.803 -0.067 0.000 0.850 224 Q CB -0.116 28.557 28.738 -0.109 0.000 0.901 224 Q HN 0.340 nan 8.270 nan 0.000 0.429 225 F N 0.296 120.186 119.950 -0.100 0.000 2.259 225 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 225 F C 2.297 177.911 175.800 -0.311 0.000 1.088 225 F CA 0.908 58.718 58.000 -0.317 0.000 1.358 225 F CB -0.343 38.502 39.000 -0.258 0.000 1.040 225 F HN 0.046 nan 8.300 nan 0.000 0.505 226 A N -0.714 122.152 122.820 0.076 0.000 1.898 226 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 226 A C 2.251 179.844 177.584 0.015 0.000 1.181 226 A CA 2.210 54.282 52.037 0.060 0.000 0.620 226 A CB -1.237 17.804 19.000 0.067 0.000 0.819 226 A HN 0.306 nan 8.150 nan 0.000 0.442 227 T N -0.815 113.728 114.554 -0.018 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 -0.035 0.000 1.039 227 T CA 1.528 63.614 62.100 -0.024 0.000 1.142 227 T CB -0.226 68.618 68.868 -0.040 0.000 0.866 227 T HN 0.564 nan 8.240 nan 0.000 0.444 228 R N -0.371 120.054 120.500 -0.126 0.000 2.096 228 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 228 R C 1.546 177.872 176.300 0.044 0.000 1.127 228 R CA 1.475 57.491 56.100 -0.141 0.000 0.968 228 R CB -0.129 29.943 30.300 -0.380 0.000 0.861 228 R HN 0.411 nan 8.270 nan 0.000 0.440 229 Y N -0.807 119.565 120.300 0.120 0.000 2.458 229 Y HA 0.357 4.907 4.550 -0.000 0.000 0.254 229 Y C 1.907 177.902 175.900 0.158 0.000 1.120 229 Y CA -0.373 57.826 58.100 0.165 0.000 1.282 229 Y CB -0.360 38.212 38.460 0.187 0.000 1.109 229 Y HN 0.131 nan 8.280 nan 0.000 0.526 230 A N 0.869 123.810 122.820 0.202 0.000 1.835 230 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 230 A C 2.085 179.742 177.584 0.122 0.000 1.199 230 A CA 1.595 53.706 52.037 0.122 0.000 0.615 230 A CB -0.573 18.460 19.000 0.054 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 0.091 0.000 2.585 231 K HA -0.033 4.286 4.320 -0.000 0.000 0.194 231 K C 1.430 178.070 176.600 0.067 0.000 1.037 231 K CA 0.851 57.178 56.287 0.067 0.000 0.964 231 K CB -0.046 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 0.784 177.338 176.600 -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 1.046 176.842 175.800 -0.007 0.000 1.097 233 F CA 0.446 58.420 58.000 -0.042 0.000 1.330 233 F CB 1.068 40.017 39.000 -0.085 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 -0.384 174.566 174.900 0.083 0.000 1.041 234 G CA 0.314 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 0.110 120.069 119.914 0.075 0.000 2.925 235 V HA 0.556 4.676 4.120 -0.000 0.000 0.311 235 V C 0.045 176.137 176.094 -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 33.973 31.823 -0.067 0.000 1.022 235 V HN 0.530 nan 8.190 nan 0.000 0.427 236 D N 1.854 122.242 120.400 -0.020 0.000 2.372 236 D HA 0.125 4.765 4.640 -0.000 0.000 0.243 236 D C 1.027 177.309 176.300 -0.031 0.000 1.121 236 D CA -0.467 53.524 54.000 -0.015 0.000 0.898 236 D CB 0.717 41.509 40.800 -0.014 0.000 1.202 236 D HN 0.689 nan 8.370 nan 0.000 0.428 237 K N 1.142 121.534 120.400 -0.013 0.000 2.280 237 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 237 K C 1.771 178.358 176.600 -0.021 0.000 1.047 237 K CA 0.996 57.275 56.287 -0.014 0.000 0.942 237 K CB -0.329 32.175 32.500 0.006 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 -0.021 0.000 1.902 238 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 238 A C 2.187 179.745 177.584 -0.043 0.000 1.181 238 A CA 1.911 53.936 52.037 -0.020 0.000 0.623 238 A CB -0.408 18.582 19.000 -0.016 0.000 0.818 238 A HN 0.299 nan 8.150 nan 0.000 0.443 239 K N -1.087 119.269 120.400 -0.074 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 1.307 57.517 56.287 -0.129 0.000 0.945 239 K CB -0.303 32.106 32.500 -0.151 0.000 0.722 239 K HN 0.287 nan 8.250 nan 0.000 0.443 240 M N 0.762 120.251 119.600 -0.186 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 -0.098 0.000 1.065 240 M CA 1.665 56.831 55.300 -0.224 0.000 1.114 240 M CB -0.846 31.671 32.600 -0.138 0.000 1.361 240 M HN 0.350 nan 8.290 nan 0.000 0.408 241 M N -2.100 117.493 119.600 -0.011 0.000 2.394 241 M HA -0.088 4.391 4.480 -0.000 0.000 0.264 241 M C 0.854 177.210 176.300 0.094 0.000 1.073 241 M CA 1.343 56.688 55.300 0.076 0.000 1.111 241 M CB -0.782 31.872 32.600 0.089 0.000 1.401 241 M HN 0.004 nan 8.290 nan 0.000 0.448 242 D N 1.613 122.030 120.400 0.028 0.000 2.194 242 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 242 D C 2.037 178.370 176.300 0.055 0.000 0.964 242 D CA 1.014 55.046 54.000 0.053 0.000 0.846 242 D CB -0.130 40.673 40.800 0.005 0.000 0.962 242 D HN 0.504 nan 8.370 nan 0.000 0.490 243 R N 0.048 120.519 120.500 -0.048 0.000 2.236 243 R HA 0.154 4.494 4.340 -0.000 0.000 0.208 243 R C 1.762 178.119 176.300 0.096 0.000 1.036 243 R CA 0.155 56.215 56.100 -0.068 0.000 1.001 243 R CB 0.158 30.161 30.300 -0.494 0.000 0.896 243 R HN 0.150 nan 8.270 nan 0.000 0.464 244 L N -0.073 121.245 121.223 0.158 0.000 2.611 244 L HA 0.159 4.498 4.340 -0.000 0.000 0.229 244 L C 0.159 177.322 176.870 0.488 0.000 1.137 244 L CA -0.147 54.879 54.840 0.309 0.000 0.901 244 L CB 0.070 42.313 42.059 0.306 0.000 1.098 244 L HN 0.258 nan 8.230 nan 0.000 0.456 245 W N -0.103 121.288 121.300 0.151 0.000 3.107 245 W HA 0.445 5.105 4.660 -0.000 0.000 0.331 245 W C 0.356 176.881 176.519 0.011 0.000 1.204 245 W CA 0.226 57.621 57.345 0.083 0.000 1.184 245 W CB 1.646 31.153 29.460 0.078 0.000 1.421 245 W HN 0.072 nan 8.180 nan 0.000 0.544 246 G N 3.367 111.380 108.800 -1.312 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 -0.437 174.168 174.900 -0.491 0.000 1.269 246 G CA 0.335 44.965 45.100 -0.784 0.000 0.919 246 G HN 0.496 nan 8.290 nan 0.000 0.574 247 D N 1.637 121.897 120.400 -0.235 0.000 2.688 247 D HA 0.487 5.126 4.640 -0.000 0.000 0.228 247 D C 0.019 176.275 176.300 -0.073 0.000 1.116 247 D CA 0.644 54.570 54.000 -0.123 0.000 1.023 247 D CB 0.289 41.194 40.800 0.176 0.000 1.100 247 D HN 0.412 nan 8.370 nan 0.000 0.487 248 S N 0.761 116.225 115.700 -0.393 0.000 2.561 248 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 248 S C -0.680 173.706 174.600 -0.357 0.000 1.110 248 S CA -0.615 57.545 58.200 -0.066 0.000 1.034 248 S CB 0.893 64.156 63.200 0.106 0.000 1.010 248 S HN 0.100 nan 8.310 nan 0.000 0.482 249 F N 2.387 122.447 119.950 0.185 0.000 2.551 249 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 249 F C -0.576 175.240 175.800 0.027 0.000 1.089 249 F CA -1.007 57.037 58.000 0.074 0.000 0.915 249 F CB 1.338 40.326 39.000 -0.019 0.000 1.186 249 F HN 0.510 nan 8.300 nan 0.000 0.456 250 F N 3.674 123.504 119.950 -0.200 0.000 2.403 250 F HA 0.422 4.948 4.527 -0.000 0.000 0.355 250 F C -0.425 175.202 175.800 -0.288 0.000 1.119 250 F CA -0.830 56.811 58.000 -0.597 0.000 1.007 250 F CB 0.610 38.967 39.000 -1.072 0.000 1.194 250 F HN 0.375 nan 8.300 nan 0.000 0.443 251 N N 8.218 126.477 118.700 -0.736 0.000 2.406 251 N HA 0.246 4.986 4.740 -0.000 0.000 0.251 251 N C -2.073 172.933 175.510 -0.840 0.000 1.069 251 N CA -2.071 50.643 53.050 -0.559 0.000 0.947 251 N CB 1.652 39.926 38.487 -0.356 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 0.769 177.910 177.300 -0.265 0.000 1.148 252 P CA 1.370 64.253 63.100 -0.361 0.000 0.822 252 P CB 0.431 32.075 31.700 -0.093 0.000 0.784 253 K N -0.937 119.324 120.400 -0.232 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 -0.671 31.751 32.500 -0.130 0.000 0.718 253 K HN 0.306 nan 8.250 nan 0.000 0.442 254 T N -2.239 112.183 114.554 -0.221 0.000 3.037 254 T HA 0.115 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 0.265 69.039 68.868 -0.157 0.000 0.948 254 T HN -0.050 nan 8.240 nan 0.000 0.496 255 K N 0.432 120.615 120.400 -0.362 0.000 3.281 255 K HA -0.110 4.210 4.320 -0.000 0.000 0.295 255 K C -0.475 176.027 176.600 -0.164 0.000 1.233 255 K CA 0.806 56.916 56.287 -0.296 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 -0.589 119.610 120.400 -0.335 0.000 2.267 256 K HA 0.462 4.782 4.320 -0.000 0.000 0.246 256 K C -0.423 176.122 176.600 -0.092 0.000 0.954 256 K CA -0.764 55.499 56.287 -0.040 0.000 0.824 256 K CB 0.969 33.483 32.500 0.024 0.000 1.167 256 K HN -0.059 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 -0.000 0.000 0.309 257 W C 0.513 177.118 176.519 0.142 0.000 1.122 257 W CA -0.160 57.319 57.345 0.223 0.000 1.208 257 W CB 1.681 31.264 29.460 0.206 0.000 1.246 257 W HN 0.407 nan 8.180 nan 0.000 0.490 258 T N 1.381 116.144 114.554 0.349 0.000 2.838 258 T HA 0.325 4.675 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 0.925 119.765 118.700 0.233 0.000 2.187 259 N HA 0.204 4.943 4.740 -0.000 0.000 0.212 259 N C -0.490 175.109 175.510 0.149 0.000 1.152 259 N CA -0.035 53.183 53.050 0.280 0.000 0.872 259 N CB 0.632 39.225 38.487 0.176 0.000 1.025 259 N HN 0.418 nan 8.380 nan 0.000 0.514 260 K N 1.469 121.832 120.400 -0.062 0.000 2.211 260 K HA 0.077 4.397 4.320 -0.000 0.000 0.275 260 K C -0.024 176.066 176.600 -0.849 0.000 1.024 260 K CA -0.417 55.693 56.287 -0.295 0.000 0.887 260 K CB 1.123 33.510 32.500 -0.188 0.000 1.084 260 K HN 0.036 nan 8.250 nan 0.000 0.463 261 D N 0.788 120.596 120.400 -0.987 0.000 2.338 261 D HA -0.076 4.564 4.640 -0.000 0.000 0.239 261 D C 0.115 176.038 176.300 -0.627 0.000 1.095 261 D CA 0.052 53.255 54.000 -1.327 0.000 0.888 261 D CB 0.030 40.419 40.800 -0.684 0.000 0.899 261 D HN 0.425 nan 8.370 nan 0.000 0.525 262 T N -3.171 111.118 114.554 -0.442 0.000 2.883 262 T HA 0.487 4.837 4.350 -0.000 0.000 0.301 262 T C -0.736 173.839 174.700 -0.209 0.000 1.158 262 T CA -1.045 60.900 62.100 -0.258 0.000 1.007 262 T CB 2.324 71.086 68.868 -0.178 0.000 1.186 262 T HN 0.020 nan 8.240 nan 0.000 0.499 263 D N 0.825 121.132 120.400 -0.155 0.000 2.506 263 D HA 0.590 5.230 4.640 -0.000 0.000 0.272 263 D C 1.816 178.057 176.300 -0.098 0.000 1.214 263 D CA -0.324 53.601 54.000 -0.126 0.000 1.067 263 D CB 0.049 40.779 40.800 -0.115 0.000 1.117 263 D HN 0.701 nan 8.370 nan 0.000 0.578 264 A N -0.257 122.515 122.820 -0.080 0.000 1.892 264 A HA -0.251 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 1.936 53.935 52.037 -0.063 0.000 0.631 264 A CB -1.012 17.957 19.000 -0.053 0.000 0.822 264 A HN 0.595 nan 8.150 nan 0.000 0.447 265 E N -1.471 118.692 120.200 -0.061 0.000 2.409 265 E HA 0.230 4.580 4.350 -0.000 0.000 0.198 265 E C 1.349 177.914 176.600 -0.059 0.000 1.024 265 E CA 0.908 57.275 56.400 -0.055 0.000 0.861 265 E CB -0.346 29.322 29.700 -0.053 0.000 0.788 265 E HN 0.898 nan 8.360 nan 0.000 0.521 266 G N 0.441 109.198 108.800 -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 0.035 174.886 174.900 -0.082 0.000 0.982 266 G CA 0.105 45.159 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 -2.476 174.062 176.600 -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 33.086 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 0.287 63.327 63.100 -0.100 0.000 0.763 268 P CB 0.420 32.078 31.700 -0.071 0.000 0.806 269 L N 2.830 123.977 121.223 -0.126 0.000 2.295 269 L HA 0.366 4.706 4.340 -0.000 0.000 0.285 269 L C 0.934 177.881 176.870 0.129 0.000 1.035 269 L CA -0.720 54.089 54.840 -0.052 0.000 0.806 269 L CB 1.352 43.333 42.059 -0.130 0.000 1.214 269 L HN 0.353 nan 8.230 nan 0.000 0.426 270 E N 4.451 124.701 120.200 0.083 0.000 2.259 270 E HA 0.092 4.442 4.350 -0.000 0.000 0.281 270 E C -0.042 176.583 176.600 0.043 0.000 1.037 270 E CA -0.696 55.726 56.400 0.036 0.000 0.854 270 E CB 0.900 30.538 29.700 -0.104 0.000 1.051 270 E HN 0.405 nan 8.360 nan 0.000 0.409 271 R N 3.495 123.928 120.500 -0.112 0.000 2.537 271 R HA -0.066 4.274 4.340 -0.000 0.000 0.281 271 R C 0.777 176.872 176.300 -0.342 0.000 0.988 271 R CA 0.723 56.491 56.100 -0.553 0.000 1.077 271 R CB 0.517 30.491 30.300 -0.544 0.000 0.932 271 R HN 0.746 nan 8.270 nan 0.000 0.409 272 A N 5.535 128.187 122.820 -0.280 0.000 1.948 272 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 272 A C 1.768 179.397 177.584 0.075 0.000 1.177 272 A CA 1.563 53.626 52.037 0.042 0.000 0.636 272 A CB -0.660 18.547 19.000 0.346 0.000 0.815 272 A HN 0.908 nan 8.150 nan 0.000 0.449 273 F N 1.453 121.322 119.950 -0.134 0.000 2.134 273 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 273 F C 1.919 177.635 175.800 -0.140 0.000 1.097 273 F CA 2.152 60.103 58.000 -0.080 0.000 1.264 273 F CB -0.313 38.609 39.000 -0.130 0.000 1.001 273 F HN 0.245 nan 8.300 nan 0.000 0.479 274 N N 0.028 118.603 118.700 -0.209 0.000 2.142 274 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 274 N C 1.982 177.257 175.510 -0.392 0.000 1.023 274 N CA 1.680 54.534 53.050 -0.327 0.000 0.852 274 N CB -0.557 37.773 38.487 -0.262 0.000 0.998 274 N HN 0.412 nan 8.380 nan 0.000 0.424 275 M N -1.152 118.209 119.600 -0.398 0.000 2.200 275 M HA -0.009 4.471 4.480 -0.000 0.000 0.265 275 M C 0.508 176.424 176.300 -0.639 0.000 1.066 275 M CA 1.507 56.470 55.300 -0.562 0.000 1.127 275 M CB 0.112 32.266 32.600 -0.743 0.000 1.379 275 M HN 0.001 nan 8.290 nan 0.000 0.420 276 F N -1.049 118.792 119.950 -0.182 0.000 2.694 276 F HA 0.258 4.785 4.527 -0.000 0.000 0.292 276 F C 1.638 177.334 175.800 -0.173 0.000 1.121 276 F CA 0.299 58.215 58.000 -0.140 0.000 1.352 276 F CB 0.098 39.043 39.000 -0.093 0.000 1.107 276 F HN 0.032 nan 8.300 nan 0.000 0.597 277 I N -1.292 119.065 120.570 -0.355 0.000 3.194 277 I HA -0.047 4.123 4.170 -0.000 0.000 0.271 277 I C 1.904 177.639 176.117 -0.636 0.000 1.150 277 I CA 0.465 61.234 61.300 -0.885 0.000 1.440 277 I CB -0.024 37.170 38.000 -1.343 0.000 1.276 277 I HN -0.061 nan 8.210 nan 0.000 0.457 278 L N 0.507 121.380 121.223 -0.583 0.000 2.044 278 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 278 L C 2.113 178.909 176.870 -0.123 0.000 1.075 278 L CA 1.551 56.217 54.840 -0.291 0.000 0.747 278 L CB -0.573 41.250 42.059 -0.393 0.000 0.903 278 L HN 0.245 nan 8.230 nan 0.000 0.435 279 D N -0.004 120.245 120.400 -0.251 0.000 2.116 279 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 279 D C -0.695 175.620 176.300 0.024 0.000 0.998 279 D CA 1.552 55.463 54.000 -0.148 0.000 0.836 279 D CB -0.611 40.070 40.800 -0.199 0.000 0.951 279 D HN 0.110 nan 8.370 nan 0.000 0.449 280 P HA -0.094 nan 4.420 nan 0.000 0.216 280 P C 1.394 178.781 177.300 0.144 0.000 1.150 280 P CA 1.042 64.204 63.100 0.103 0.000 0.837 280 P CB 0.023 31.847 31.700 0.206 0.000 0.786 281 I N -2.615 118.065 120.570 0.184 0.000 2.202 281 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 281 I C 2.061 178.242 176.117 0.107 0.000 1.091 281 I CA 1.294 62.691 61.300 0.161 0.000 1.368 281 I CB -0.581 37.453 38.000 0.057 0.000 1.058 281 I HN -0.149 nan 8.210 nan 0.000 0.410 282 F N 1.284 121.174 119.950 -0.101 0.000 2.126 282 F HA -0.190 4.336 4.527 -0.000 0.000 0.299 282 F C 2.705 178.518 175.800 0.021 0.000 1.096 282 F CA 1.518 59.467 58.000 -0.084 0.000 1.255 282 F CB -0.607 38.344 39.000 -0.082 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 0.202 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 0.091 0.000 1.127 283 R CA 1.148 57.317 56.100 0.115 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 0.110 0.000 2.027 284 L HA -0.168 4.172 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 -0.077 119.817 119.950 -0.094 0.000 2.051 285 F HA -0.275 4.251 4.527 -0.000 0.000 0.296 285 F C 2.696 178.437 175.800 -0.099 0.000 1.122 285 F CA 1.768 59.702 58.000 -0.111 0.000 1.201 285 F CB -0.606 38.307 39.000 -0.145 0.000 0.978 285 F HN 0.012 nan 8.300 nan 0.000 0.472 286 T N -0.147 114.493 114.554 0.143 0.000 2.720 286 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 286 T C 2.064 176.766 174.700 0.004 0.000 1.037 286 T CA 1.298 63.437 62.100 0.065 0.000 1.144 286 T CB -0.592 68.324 68.868 0.081 0.000 0.864 286 T HN 0.340 nan 8.240 nan 0.000 0.444 287 A N 0.837 123.653 122.820 -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 -0.594 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 -0.646 119.824 120.570 -0.167 0.000 2.286 288 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 288 I C 2.251 178.076 176.117 -0.488 0.000 1.104 288 I CA 0.983 62.111 61.300 -0.286 0.000 1.397 288 I CB -0.269 37.569 38.000 -0.269 0.000 1.072 288 I HN 0.232 nan 8.210 nan 0.000 0.417 289 M N -0.026 119.351 119.600 -0.371 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 -0.374 0.000 1.079 289 M CA 1.229 56.289 55.300 -0.400 0.000 1.104 289 M CB -1.026 31.468 32.600 -0.177 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 -0.236 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 0.278 38.790 38.487 0.042 0.000 1.020 290 N HN 0.209 nan 8.380 nan 0.000 0.509 291 F N 0.456 120.401 119.950 -0.008 0.000 3.100 291 F HA -0.262 4.264 4.527 -0.000 0.000 0.283 291 F C 0.221 176.016 175.800 -0.007 0.000 0.900 291 F CA 0.475 58.468 58.000 -0.011 0.000 1.010 291 F CB -2.155 36.840 39.000 -0.009 0.000 1.029 291 F HN -0.078 nan 8.300 nan 0.000 0.637 292 K N 1.418 121.853 120.400 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 0.145 56.460 56.287 0.047 0.000 1.170 292 K CB -0.066 32.446 32.500 0.019 0.000 1.418 292 K HN 0.517 nan 8.250 nan 0.000 0.255 293 K N -0.206 120.229 120.400 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 57.581 56.287 0.041 0.000 0.938 293 K CB 0.184 32.719 32.500 0.058 0.000 0.767 293 K HN 0.227 nan 8.250 nan 0.000 0.481 294 D N 0.827 121.237 120.400 0.017 0.000 2.407 294 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 294 D C 0.916 177.217 176.300 0.002 0.000 1.083 294 D CA 0.346 54.351 54.000 0.009 0.000 0.844 294 D CB 0.562 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 1.967 178.556 176.600 -0.019 0.000 0.978 295 E CA -0.055 56.341 56.400 -0.007 0.000 0.912 295 E CB 0.840 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 1.557 122.113 120.570 -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 -1.078 36.894 38.000 -0.046 0.000 1.067 296 I HN 0.014 nan 8.210 nan 0.000 0.413 297 P HA -0.124 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 1.216 64.301 63.100 -0.025 0.000 0.853 297 P CB 0.058 31.750 31.700 -0.015 0.000 0.788 298 V N -0.653 119.246 119.914 -0.025 0.000 2.270 298 V HA -0.208 3.911 4.120 -0.000 0.000 0.245 298 V C 2.381 178.455 176.094 -0.035 0.000 1.043 298 V CA 1.485 63.771 62.300 -0.024 0.000 1.014 298 V CB -1.274 30.539 31.823 -0.017 0.000 0.645 298 V HN 0.036 nan 8.190 nan 0.000 0.447 299 L N -0.536 120.662 121.223 -0.041 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 41.325 42.059 -0.058 0.000 0.890 299 L HN 0.187 nan 8.230 nan 0.000 0.432 300 L N -0.663 120.507 121.223 -0.088 0.000 2.083 300 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 300 L C 2.538 179.361 176.870 -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 41.131 42.059 -0.077 0.000 0.899 300 L HN 0.419 nan 8.230 nan 0.000 0.433 301 E N -0.255 119.914 120.200 -0.052 0.000 2.047 301 E HA -0.231 4.119 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 1.128 57.507 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 1.897 178.484 176.600 -0.022 0.000 1.049 302 K CA 0.953 57.226 56.287 -0.023 0.000 0.933 302 K CB -0.028 32.459 32.500 -0.020 0.000 0.717 302 K HN 0.245 nan 8.250 nan 0.000 0.442 303 L N 0.906 122.084 121.223 -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 -0.275 41.558 42.059 -0.377 0.000 1.033 303 L HN 0.222 nan 8.230 nan 0.000 0.450 304 E N 0.958 121.137 120.200 -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 0.159 56.554 56.400 -0.008 0.000 0.713 304 E CB -1.073 28.639 29.700 0.021 0.000 1.226 304 E HN 0.265 nan 8.360 nan 0.000 0.382 305 I N 1.236 121.783 120.570 -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 -0.845 60.439 61.300 -0.026 0.000 1.185 305 I CB 1.399 39.357 38.000 -0.071 0.000 1.341 305 I HN -0.023 nan 8.210 nan 0.000 0.455 306 V N 5.494 125.409 119.914 0.002 0.000 2.378 306 V HA 0.560 4.680 4.120 -0.000 0.000 0.288 306 V C -0.311 175.786 176.094 0.004 0.000 1.016 306 V CA -0.777 61.524 62.300 0.001 0.000 0.840 306 V CB 1.483 33.310 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 0.607 4.947 4.340 -0.000 0.000 0.281 307 L C 0.351 177.223 176.870 0.003 0.000 1.085 307 L CA -0.375 54.465 54.840 -0.000 0.000 0.813 307 L CB 1.293 43.348 42.059 -0.006 0.000 1.157 307 L HN 0.874 nan 8.230 nan 0.000 0.436 308 K N 2.111 122.515 120.400 0.006 0.000 2.378 308 K HA 0.785 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 -0.268 56.023 56.287 0.007 0.000 0.794 308 K CB 2.156 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 3.216 112.020 108.800 0.006 0.000 2.574 309 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.286 309 G HA3 -0.368 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 0.645 45.748 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 2.334 178.637 176.300 0.006 0.000 0.977 310 D CA 1.522 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 0.629 120.832 120.200 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 0.001 0.000 0.988 311 E CA 0.720 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 1.173 177.776 176.600 0.005 0.000 1.045 312 K CA 1.187 57.475 56.287 0.001 0.000 0.935 312 K CB 0.011 32.512 32.500 0.002 0.000 0.737 312 K HN 0.151 nan 8.250 nan 0.000 0.460 313 D N 0.419 120.824 120.400 0.008 0.000 2.327 313 D HA 0.040 4.680 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 40.937 40.800 0.013 0.000 0.955 313 D HN 0.097 nan 8.370 nan 0.000 0.515 314 L N 1.191 122.422 121.223 0.013 0.000 2.492 314 L HA 0.069 4.409 4.340 -0.000 0.000 0.280 314 L C 0.771 177.655 176.870 0.024 0.000 1.240 314 L CA 0.703 55.551 54.840 0.014 0.000 0.831 314 L CB 0.317 42.373 42.059 -0.005 0.000 1.100 314 L HN -0.130 nan 8.230 nan 0.000 0.505 315 E N -0.292 119.935 120.200 0.044 0.000 2.458 315 E HA 0.530 4.880 4.350 -0.000 0.000 0.278 315 E C 0.004 176.603 176.600 -0.001 0.000 1.004 315 E CA -0.416 56.026 56.400 0.070 0.000 0.823 315 E CB 1.677 31.560 29.700 0.304 0.000 1.396 315 E HN 0.722 nan 8.360 nan 0.000 0.463 316 G N 1.125 109.787 108.800 -0.230 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 0.593 175.363 174.900 -0.216 0.000 1.277 316 G CA 0.779 45.700 45.100 -0.298 0.000 0.959 316 G HN 0.579 nan 8.290 nan 0.000 0.554 317 K N 0.199 120.506 120.400 -0.156 0.000 2.074 317 K HA -0.060 4.260 4.320 -0.000 0.000 0.209 317 K C 3.117 179.616 176.600 -0.168 0.000 1.048 317 K CA 2.055 58.226 56.287 -0.193 0.000 0.926 317 K CB -0.443 31.964 32.500 -0.155 0.000 0.713 317 K HN 0.732 nan 8.250 nan 0.000 0.444 318 A N 1.488 124.251 122.820 -0.095 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 -0.074 0.000 1.186 318 A CA 1.473 53.472 52.037 -0.065 0.000 0.624 318 A CB -0.574 18.412 19.000 -0.023 0.000 0.822 318 A HN 0.259 nan 8.150 nan 0.000 0.444 319 L N -0.982 120.187 121.223 -0.089 0.000 2.056 319 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 319 L C 2.246 179.039 176.870 -0.128 0.000 1.078 319 L CA 1.944 56.729 54.840 -0.092 0.000 0.749 319 L CB -0.673 41.326 42.059 -0.101 0.000 0.901 319 L HN 0.354 nan 8.230 nan 0.000 0.433 320 L N -0.075 121.029 121.223 -0.200 0.000 1.970 320 L HA -0.259 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 2.010 56.686 54.840 -0.274 0.000 0.751 320 L CB -0.737 41.058 42.059 -0.441 0.000 0.889 320 L HN 0.256 nan 8.230 nan 0.000 0.432 321 K N -1.171 119.135 120.400 -0.157 0.000 2.044 321 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 321 K C 1.920 178.530 176.600 0.017 0.000 1.049 321 K CA 1.885 58.144 56.287 -0.048 0.000 0.927 321 K CB -0.548 31.914 32.500 -0.064 0.000 0.713 321 K HN 0.283 nan 8.250 nan 0.000 0.443 322 V N 0.853 120.760 119.914 -0.011 0.000 2.427 322 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 322 V C 2.223 178.332 176.094 0.025 0.000 1.051 322 V CA 1.339 63.647 62.300 0.014 0.000 1.048 322 V CB -0.152 31.670 31.823 -0.001 0.000 0.666 322 V HN 0.109 nan 8.190 nan 0.000 0.456 323 V N -0.621 119.289 119.914 -0.007 0.000 2.379 323 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 323 V C 2.435 178.573 176.094 0.073 0.000 1.044 323 V CA 1.674 63.976 62.300 0.003 0.000 1.036 323 V CB -0.442 31.347 31.823 -0.056 0.000 0.664 323 V HN 0.410 nan 8.190 nan 0.000 0.453 324 M N -0.659 118.973 119.600 0.054 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 0.220 0.000 1.063 324 M CA 1.527 56.885 55.300 0.097 0.000 1.114 324 M CB -1.076 31.440 32.600 -0.141 0.000 1.387 324 M HN 0.290 nan 8.290 nan 0.000 0.420 325 R N 0.177 120.799 120.500 0.204 0.000 2.092 325 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 325 R C 2.218 178.614 176.300 0.161 0.000 1.119 325 R CA 1.130 57.350 56.100 0.200 0.000 0.970 325 R CB -0.094 30.295 30.300 0.148 0.000 0.864 325 R HN 0.381 nan 8.270 nan 0.000 0.440 326 K N -0.442 120.046 120.400 0.146 0.000 2.116 326 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 326 K C 1.801 178.517 176.600 0.193 0.000 1.052 326 K CA 0.894 57.262 56.287 0.134 0.000 0.952 326 K CB -0.120 32.440 32.500 0.100 0.000 0.729 326 K HN 0.039 nan 8.250 nan 0.000 0.446 327 F N 1.097 121.065 119.950 0.030 0.000 2.146 327 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 327 F C 0.443 176.258 175.800 0.025 0.000 1.096 327 F CA 1.072 59.080 58.000 0.013 0.000 1.275 327 F CB 0.230 39.230 39.000 0.000 0.000 1.008 327 F HN -0.185 nan 8.300 nan 0.000 0.480 328 L N 1.292 122.510 121.223 -0.007 0.000 2.448 328 L HA 0.307 4.647 4.340 -0.000 0.000 0.257 328 L C -2.616 174.345 176.870 0.152 0.000 1.504 328 L CA -1.780 53.025 54.840 -0.058 0.000 0.852 328 L CB 1.133 43.113 42.059 -0.131 0.000 1.051 328 L HN -0.206 nan 8.230 nan 0.000 0.518 329 P HA -0.021 nan 4.420 nan 0.000 0.258 329 P C 0.905 178.276 177.300 0.118 0.000 1.187 329 P CA 0.319 63.494 63.100 0.125 0.000 0.767 329 P CB 1.202 32.950 31.700 0.080 0.000 0.770 330 A N 5.956 128.847 122.820 0.119 0.000 1.870 330 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 330 A C 2.250 179.836 177.584 0.003 0.000 1.224 330 A CA 2.672 54.720 52.037 0.018 0.000 0.650 330 A CB -1.725 17.244 19.000 -0.051 0.000 0.836 330 A HN 0.500 nan 8.150 nan 0.000 0.454 331 A N -0.350 122.477 122.820 0.011 0.000 1.940 331 A HA -0.338 3.982 4.320 -0.000 0.000 0.221 331 A C 1.730 179.315 177.584 0.002 0.000 1.190 331 A CA 2.521 54.560 52.037 0.004 0.000 0.647 331 A CB -0.994 18.017 19.000 0.018 0.000 0.821 331 A HN 0.553 nan 8.150 nan 0.000 0.457 332 D N -0.331 120.081 120.400 0.020 0.000 2.123 332 D HA -0.052 4.588 4.640 -0.000 0.000 0.196 332 D C 2.252 178.552 176.300 0.001 0.000 0.992 332 D CA 1.633 55.641 54.000 0.014 0.000 0.833 332 D CB -0.457 40.360 40.800 0.028 0.000 0.954 332 D HN 0.481 nan 8.370 nan 0.000 0.455 333 A N 0.454 123.278 122.820 0.007 0.000 1.873 333 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 333 A C 2.365 179.919 177.584 -0.050 0.000 1.186 333 A CA 0.988 53.017 52.037 -0.012 0.000 0.616 333 A CB -0.778 18.206 19.000 -0.026 0.000 0.823 333 A HN 0.212 nan 8.150 nan 0.000 0.442 334 L N -0.672 120.514 121.223 -0.062 0.000 2.017 334 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 334 L C 2.577 179.412 176.870 -0.060 0.000 1.073 334 L CA 1.201 55.997 54.840 -0.073 0.000 0.745 334 L CB -0.793 41.224 42.059 -0.070 0.000 0.894 334 L HN 0.336 nan 8.230 nan 0.000 0.432 335 L N -0.246 120.948 121.223 -0.049 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 -0.092 0.000 1.081 335 L CA 1.250 56.054 54.840 -0.061 0.000 0.752 335 L CB -0.530 41.503 42.059 -0.043 0.000 0.896 335 L HN 0.363 nan 8.230 nan 0.000 0.433 336 E N 0.358 120.515 120.200 -0.072 0.000 2.051 336 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 336 E C 2.328 178.886 176.600 -0.070 0.000 0.991 336 E CA 1.367 57.718 56.400 -0.081 0.000 0.799 336 E CB -0.018 29.661 29.700 -0.036 0.000 0.748 336 E HN 0.460 nan 8.360 nan 0.000 0.449 337 M N 0.119 119.707 119.600 -0.019 0.000 2.175 337 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 337 M C 2.303 178.608 176.300 0.007 0.000 1.063 337 M CA 1.039 56.380 55.300 0.067 0.000 1.119 337 M CB -0.167 32.432 32.600 -0.003 0.000 1.377 337 M HN 0.175 nan 8.290 nan 0.000 0.415 338 I N -0.473 120.062 120.570 -0.058 0.000 2.142 338 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 338 I C 2.339 178.372 176.117 -0.140 0.000 1.078 338 I CA 1.166 62.421 61.300 -0.074 0.000 1.343 338 I CB -0.395 37.563 38.000 -0.069 0.000 1.046 338 I HN 0.046 nan 8.210 nan 0.000 0.405 339 V N 0.918 120.685 119.914 -0.244 0.000 2.307 339 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 339 V C 2.294 178.129 176.094 -0.430 0.000 1.045 339 V CA 1.658 63.682 62.300 -0.460 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 -1.060 119.928 121.223 -0.392 0.000 2.217 340 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 340 L C 2.397 178.899 176.870 -0.613 0.000 1.107 340 L CA 1.206 55.742 54.840 -0.506 0.000 0.783 340 L CB -0.505 41.190 42.059 -0.606 0.000 0.919 340 L HN 0.483 nan 8.230 nan 0.000 0.442 341 H N -1.399 117.611 119.070 -0.101 0.000 2.657 341 H HA 0.291 4.846 4.556 -0.000 0.000 0.262 341 H C 0.847 176.145 175.328 -0.050 0.000 0.965 341 H CA -0.274 55.734 56.048 -0.066 0.000 1.184 341 H CB 0.549 30.271 29.762 -0.067 0.000 1.443 341 H HN 0.115 nan 8.280 nan 0.000 0.462 342 L N 4.709 125.957 121.223 0.042 0.000 2.426 342 L HA 0.136 4.476 4.340 -0.000 0.000 0.271 342 L C -1.904 174.977 176.870 0.018 0.000 1.169 342 L CA -1.612 53.244 54.840 0.026 0.000 0.836 342 L CB 0.398 42.460 42.059 0.004 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 -0.555 176.771 177.300 0.044 0.000 1.231 343 P CA -0.426 62.708 63.100 0.057 0.000 0.790 343 P CB 1.345 33.107 31.700 0.103 0.000 0.951 344 S N 2.287 118.014 115.700 0.044 0.000 2.646 344 S HA 0.382 4.852 4.470 -0.000 0.000 0.273 344 S C -1.810 172.804 174.600 0.023 0.000 1.168 344 S CA -0.985 57.239 58.200 0.041 0.000 1.013 344 S CB -0.308 62.923 63.200 0.052 0.000 1.098 344 S HN 0.250 nan 8.310 nan 0.000 0.544 345 P HA 0.175 nan 4.420 nan 0.000 0.220 345 P C 1.583 178.848 177.300 -0.058 0.000 1.154 345 P CA 0.240 63.310 63.100 -0.050 0.000 0.830 345 P CB -0.134 31.524 31.700 -0.070 0.000 0.803 346 V N -0.120 119.769 119.914 -0.041 0.000 2.287 346 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 346 V C 2.258 178.318 176.094 -0.056 0.000 1.053 346 V CA 2.623 64.899 62.300 -0.039 0.000 1.027 346 V CB -1.737 30.074 31.823 -0.020 0.000 0.646 346 V HN 0.191 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 -0.116 4.233 4.350 -0.000 0.000 0.265 347 T C 2.040 176.622 174.700 -0.197 0.000 1.038 347 T CA 1.677 63.758 62.100 -0.030 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 1.430 124.084 122.820 -0.276 0.000 1.897 348 A HA -0.086 4.233 4.320 -0.000 0.000 0.215 348 A C 2.207 179.353 177.584 -0.730 0.000 1.181 348 A CA 1.119 52.746 52.037 -0.683 0.000 0.620 348 A CB -0.606 18.247 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 -0.055 4.285 4.340 -0.000 0.000 0.211 349 Q C 2.132 178.016 176.000 -0.193 0.000 0.978 349 Q CA 0.812 56.517 55.803 -0.163 0.000 0.897 349 Q CB -0.356 28.382 28.738 -0.001 0.000 0.956 349 Q HN 0.703 nan 8.270 nan 0.000 0.483 350 A N 0.866 123.532 122.820 -0.256 0.000 1.968 350 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 350 A C 1.494 179.044 177.584 -0.056 0.000 1.169 350 A CA 1.063 53.027 52.037 -0.122 0.000 0.638 350 A CB -0.385 18.581 19.000 -0.056 0.000 0.812 350 A HN 0.590 nan 8.150 nan 0.000 0.446 351 Y N -3.619 116.691 120.300 0.016 0.000 2.481 351 Y HA 0.588 5.138 4.550 -0.000 0.000 0.247 351 Y C 1.605 177.509 175.900 0.005 0.000 1.151 351 Y CA -0.313 57.793 58.100 0.010 0.000 1.238 351 Y CB -0.130 38.337 38.460 0.012 0.000 1.179 351 Y HN 0.085 nan 8.280 nan 0.000 0.524 352 R N 0.143 120.615 120.500 -0.047 0.000 2.307 352 R HA 0.370 4.709 4.340 -0.000 0.000 0.200 352 R C 2.242 178.514 176.300 -0.048 0.000 0.893 352 R CA 0.737 56.841 56.100 0.006 0.000 1.042 352 R CB 0.082 30.350 30.300 -0.054 0.000 1.059 352 R HN 0.359 nan 8.270 nan 0.000 0.530 353 A N 1.677 124.459 122.820 -0.063 0.000 1.881 353 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 353 A C 1.755 179.325 177.584 -0.023 0.000 1.215 353 A CA 1.986 53.981 52.037 -0.070 0.000 0.648 353 A CB -0.524 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 -0.653 119.555 120.200 0.012 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 0.009 0.000 0.994 354 E CA 1.432 57.852 56.400 0.033 0.000 0.801 354 E CB -0.255 29.462 29.700 0.028 0.000 0.743 354 E HN 0.766 nan 8.360 nan 0.000 0.453 355 Q N 0.528 120.323 119.800 -0.010 0.000 2.016 355 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 355 Q C 2.484 178.443 176.000 -0.068 0.000 0.978 355 Q CA 1.024 56.809 55.803 -0.031 0.000 0.833 355 Q CB -0.208 28.517 28.738 -0.021 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 -0.118 0.000 2.129 356 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 356 L C 0.832 177.644 176.870 -0.097 0.000 1.087 356 L CA 0.683 55.388 54.840 -0.224 0.000 0.757 356 L CB -0.230 41.563 42.059 -0.444 0.000 0.896 356 L HN 0.197 nan 8.230 nan 0.000 0.434 357 Y N 0.706 120.900 120.300 -0.177 0.000 2.335 357 Y HA 0.146 4.695 4.550 -0.000 0.000 0.339 357 Y C 1.242 177.087 175.900 -0.092 0.000 0.987 357 Y CA -1.069 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 3.319 123.232 120.200 -0.479 0.000 2.106 358 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 358 E C 1.257 177.396 176.600 -0.768 0.000 0.984 358 E CA 0.822 56.946 56.400 -0.460 0.000 0.806 358 E CB -0.237 29.299 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 -2.275 172.351 174.900 -0.456 0.000 1.362 359 G CA -0.689 43.687 45.100 -1.207 0.000 1.065 359 G HN 0.038 nan 8.290 nan 0.000 0.561 360 P HA 0.300 nan 4.420 nan 0.000 0.271 360 P C 0.369 177.736 177.300 0.112 0.000 1.216 360 P CA 0.336 63.442 63.100 0.011 0.000 0.771 360 P CB 1.297 33.029 31.700 0.054 0.000 0.864 361 A N 3.065 125.920 122.820 0.058 0.000 2.067 361 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 361 A C 1.369 178.987 177.584 0.057 0.000 1.158 361 A CA 1.838 53.916 52.037 0.068 0.000 0.661 361 A CB -1.086 17.934 19.000 0.033 0.000 0.801 361 A HN 0.673 nan 8.150 nan 0.000 0.452 362 D N -0.916 119.514 120.400 0.051 0.000 2.360 362 D HA 0.100 4.740 4.640 -0.000 0.000 0.210 362 D C 0.484 176.811 176.300 0.046 0.000 1.047 362 D CA 0.109 54.132 54.000 0.038 0.000 0.854 362 D CB -0.336 40.481 40.800 0.028 0.000 0.936 362 D HN 0.413 nan 8.370 nan 0.000 0.514 363 D N -0.276 120.173 120.400 0.082 0.000 2.449 363 D HA 0.155 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 0.463 54.525 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 4.088 4.320 -0.000 0.000 0.219 364 A C 1.809 179.351 177.584 -0.071 0.000 1.169 364 A CA 1.733 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 -1.106 117.520 118.700 -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 1.125 53.999 53.050 -0.292 0.000 0.866 365 N CB -0.591 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 0.723 119.722 119.300 -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 -0.170 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 -0.037 0.000 2.028 366 C HN 0.338 nan 8.230 nan 0.000 0.477 367 I N 1.795 122.302 120.570 -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 1.965 63.229 61.300 -0.061 0.000 1.363 367 I CB -1.849 36.130 38.000 -0.036 0.000 1.051 367 I HN 0.417 nan 8.210 nan 0.000 0.413 368 A N 0.915 123.683 122.820 -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 1.162 53.159 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 -0.030 120.484 120.570 -0.093 0.000 2.233 369 I HA -0.159 4.010 4.170 -0.000 0.000 0.243 369 I C 2.132 178.230 176.117 -0.031 0.000 1.093 369 I CA 1.298 62.568 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 0.975 121.343 120.400 -0.053 0.000 2.103 370 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 370 K C 1.392 177.972 176.600 -0.033 0.000 1.048 370 K CA 1.240 57.502 56.287 -0.042 0.000 0.930 370 K CB -0.206 32.275 32.500 -0.031 0.000 0.716 370 K HN 0.371 nan 8.250 nan 0.000 0.444 371 N N 0.369 119.052 118.700 -0.028 0.000 2.336 371 N HA -0.036 4.704 4.740 -0.000 0.000 0.189 371 N C 0.352 175.850 175.510 -0.019 0.000 1.113 371 N CA 0.255 53.292 53.050 -0.022 0.000 0.858 371 N CB -0.053 38.422 38.487 -0.020 0.000 0.970 371 N HN 0.176 nan 8.380 nan 0.000 0.471 372 C N 2.295 121.588 119.300 -0.012 0.000 4.028 372 C HA -0.204 4.255 4.460 -0.000 0.000 0.300 372 C C -0.062 174.918 174.990 -0.016 0.000 1.399 372 C CA -0.528 58.486 59.018 -0.006 0.000 2.051 372 C CB -2.384 25.345 27.740 -0.018 0.000 1.318 372 C HN 0.344 nan 8.230 nan 0.000 0.696 373 D N 1.689 122.079 120.400 -0.016 0.000 2.338 373 D HA 0.250 4.890 4.640 -0.000 0.000 0.255 373 D C -0.345 175.944 176.300 -0.018 0.000 1.237 373 D CA -1.754 52.235 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 0.491 177.780 177.300 -0.019 0.000 1.177 374 P CA 0.509 63.596 63.100 -0.021 0.000 0.773 374 P CB 0.493 32.178 31.700 -0.024 0.000 0.878 375 K N -0.666 119.724 120.400 -0.017 0.000 2.367 375 K HA 0.279 4.599 4.320 -0.000 0.000 0.194 375 K C 1.279 177.870 176.600 -0.015 0.000 1.027 375 K CA -0.194 56.084 56.287 -0.016 0.000 1.075 375 K CB 0.380 32.872 32.500 -0.014 0.000 0.845 375 K HN 0.066 nan 8.250 nan 0.000 0.529 376 A N 1.431 124.240 122.820 -0.017 0.000 2.251 376 A HA 0.108 4.428 4.320 -0.000 0.000 0.278 376 A C -0.084 177.489 177.584 -0.017 0.000 1.206 376 A CA -0.382 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 -0.681 119.708 120.400 -0.018 0.000 2.368 377 D HA 0.264 4.904 4.640 -0.000 0.000 0.240 377 D C -0.057 176.235 176.300 -0.013 0.000 1.169 377 D CA 0.020 54.012 54.000 -0.014 0.000 0.906 377 D CB 0.577 41.370 40.800 -0.012 0.000 1.187 377 D HN 0.309 nan 8.370 nan 0.000 0.435 378 L N 1.674 122.893 121.223 -0.008 0.000 2.416 378 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 378 L C -0.428 176.451 176.870 0.015 0.000 1.161 378 L CA 0.452 55.293 54.840 0.002 0.000 0.845 378 L CB 0.214 42.272 42.059 -0.001 0.000 1.119 378 L HN 0.212 nan 8.230 nan 0.000 0.464 379 M N 7.627 127.252 119.600 0.043 0.000 1.962 379 M HA 0.304 4.784 4.480 -0.000 0.000 0.227 379 M C -1.238 175.165 176.300 0.171 0.000 0.890 379 M CA -0.087 55.263 55.300 0.084 0.000 0.843 379 M CB 0.841 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 2.411 123.719 121.223 0.143 0.000 2.287 380 L HA 0.501 4.840 4.340 -0.000 0.000 0.287 380 L C -1.374 175.629 176.870 0.222 0.000 1.022 380 L CA -0.748 54.188 54.840 0.160 0.000 0.814 380 L CB 1.404 43.496 42.059 0.054 0.000 1.217 380 L HN 0.538 nan 8.230 nan 0.000 0.420 381 Y N 4.940 125.362 120.300 0.204 0.000 2.327 381 Y HA 0.374 4.924 4.550 -0.000 0.000 0.336 381 Y C -0.551 175.402 175.900 0.090 0.000 1.035 381 Y CA -0.351 57.856 58.100 0.178 0.000 1.165 381 Y CB 1.359 40.007 38.460 0.313 0.000 1.181 381 Y HN 0.287 nan 8.280 nan 0.000 0.494 382 V N 7.215 126.854 119.914 -0.459 0.000 2.353 382 V HA 0.042 4.162 4.120 -0.000 0.000 0.264 382 V C 0.906 176.674 176.094 -0.544 0.000 1.049 382 V CA 0.397 62.486 62.300 -0.352 0.000 0.896 382 V CB 0.716 32.431 31.823 -0.181 0.000 1.025 382 V HN 1.046 nan 8.190 nan 0.000 0.475 383 S N 4.584 120.147 115.700 -0.229 0.000 2.368 383 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 383 S C 0.688 175.354 174.600 0.110 0.000 1.029 383 S CA 1.481 59.705 58.200 0.039 0.000 0.988 383 S CB 0.025 63.411 63.200 0.310 0.000 0.838 383 S HN 0.895 nan 8.310 nan 0.000 0.462 384 K N -1.358 119.144 120.400 0.171 0.000 2.711 384 K HA 0.287 4.607 4.320 -0.000 0.000 0.294 384 K C -1.590 175.125 176.600 0.191 0.000 1.037 384 K CA -0.946 55.436 56.287 0.158 0.000 0.858 384 K CB 0.324 32.925 32.500 0.169 0.000 1.521 384 K HN -0.033 nan 8.250 nan 0.000 0.386 385 M N 2.374 122.080 119.600 0.176 0.000 2.157 385 M HA 0.305 4.784 4.480 -0.000 0.000 0.354 385 M C -0.614 175.854 176.300 0.281 0.000 1.170 385 M CA -0.906 54.542 55.300 0.247 0.000 1.060 385 M CB 1.058 33.797 32.600 0.232 0.000 1.615 385 M HN 0.559 nan 8.290 nan 0.000 0.460 386 V N 6.419 126.461 119.914 0.213 0.000 2.483 386 V HA 0.590 4.709 4.120 -0.000 0.000 0.295 386 V C -2.431 173.543 176.094 -0.200 0.000 1.035 386 V CA -2.107 60.212 62.300 0.032 0.000 0.896 386 V CB 2.090 33.897 31.823 -0.026 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 -0.592 176.366 177.300 -0.570 0.000 1.220 387 P CA 0.266 62.907 63.100 -0.765 0.000 0.768 387 P CB 0.605 32.002 31.700 -0.504 0.000 0.848 388 T N -1.754 112.415 114.554 -0.642 0.000 2.926 388 T HA 0.408 4.758 4.350 -0.000 0.000 0.289 388 T C 0.910 175.386 174.700 -0.373 0.000 1.054 388 T CA -0.411 61.365 62.100 -0.538 0.000 1.015 388 T CB 1.138 69.521 68.868 -0.808 0.000 1.167 388 T HN 0.199 nan 8.240 nan 0.000 0.526 389 S N -0.924 114.613 115.700 -0.271 0.000 2.575 389 S HA 0.091 4.561 4.470 -0.000 0.000 0.215 389 S C 0.511 175.040 174.600 -0.118 0.000 0.966 389 S CA -0.213 57.885 58.200 -0.169 0.000 0.911 389 S CB -0.377 62.750 63.200 -0.122 0.000 0.780 389 S HN 0.773 nan 8.310 nan 0.000 0.514 390 D N 3.337 123.656 120.400 -0.134 0.000 2.545 390 D HA 0.062 4.701 4.640 -0.000 0.000 0.227 390 D C -0.411 175.874 176.300 -0.024 0.000 1.150 390 D CA -0.012 53.962 54.000 -0.045 0.000 1.046 390 D CB -0.230 40.581 40.800 0.018 0.000 1.098 390 D HN -0.003 nan 8.370 nan 0.000 0.502 391 K N 1.957 122.342 120.400 -0.024 0.000 4.971 391 K HA -0.206 4.114 4.320 -0.000 0.000 0.296 391 K C 1.066 177.679 176.600 0.022 0.000 0.724 391 K CA 0.956 57.240 56.287 -0.004 0.000 0.844 391 K CB -1.727 30.778 32.500 0.008 0.000 1.993 391 K HN 0.763 nan 8.250 nan 0.000 0.384 392 G N 0.883 109.695 108.800 0.020 0.000 2.166 392 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 392 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 392 G C -0.043 174.982 174.900 0.208 0.000 0.986 392 G CA 0.388 45.557 45.100 0.116 0.000 0.683 392 G HN 0.435 nan 8.290 nan 0.000 0.527 393 R N -0.540 120.021 120.500 0.100 0.000 2.368 393 R HA 0.611 4.951 4.340 -0.000 0.000 0.302 393 R C -0.462 175.904 176.300 0.110 0.000 1.002 393 R CA -0.606 55.610 56.100 0.194 0.000 0.929 393 R CB 0.570 30.980 30.300 0.183 0.000 1.073 393 R HN 0.181 nan 8.270 nan 0.000 0.464 394 F N 2.804 122.789 119.950 0.057 0.000 2.427 394 F HA 0.333 4.860 4.527 -0.000 0.000 0.346 394 F C 0.072 176.028 175.800 0.260 0.000 1.120 394 F CA -0.940 57.095 58.000 0.058 0.000 1.033 394 F CB 1.124 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 1.741 122.118 120.300 0.128 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 0.142 0.000 1.151 395 Y CA -2.193 55.973 58.100 0.110 0.000 1.195 395 Y CB 0.950 39.455 38.460 0.075 0.000 1.210 395 Y HN 0.580 nan 8.280 nan 0.000 0.483 396 A N 4.064 127.044 122.820 0.267 0.000 2.366 396 A HA 0.449 4.769 4.320 -0.000 0.000 0.272 396 A C -1.138 176.580 177.584 0.223 0.000 1.135 396 A CA -0.268 51.886 52.037 0.195 0.000 0.804 396 A CB -0.337 18.724 19.000 0.101 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 0.076 0.000 2.469 397 F HA 0.711 5.238 4.527 -0.000 0.000 0.332 397 F C 0.414 176.242 175.800 0.046 0.000 1.103 397 F CA 0.376 58.415 58.000 0.065 0.000 0.979 397 F CB 1.601 40.642 39.000 0.068 0.000 1.137 397 F HN 0.873 nan 8.300 nan 0.000 0.463 398 G N 4.831 113.147 108.800 -0.808 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 43.607 45.100 -0.544 0.000 0.840 398 G HN 0.792 nan 8.290 nan 0.000 0.479 399 R N -0.486 119.879 120.500 -0.226 0.000 2.621 399 R HA 0.588 4.928 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 2.231 32.245 30.300 -0.476 0.000 1.195 399 R HN 0.408 nan 8.270 nan 0.000 0.450 400 V N 6.207 125.956 119.914 -0.275 0.000 2.405 400 V HA 0.178 4.297 4.120 -0.000 0.000 0.264 400 V C 0.326 176.272 176.094 -0.247 0.000 1.048 400 V CA 0.177 62.384 62.300 -0.156 0.000 0.966 400 V CB 0.576 32.333 31.823 -0.109 0.000 1.015 400 V HN 0.772 nan 8.190 nan 0.000 0.477 401 F N 2.736 122.672 119.950 -0.023 0.000 2.530 401 F HA 0.512 5.039 4.527 -0.000 0.000 0.292 401 F C 1.237 177.004 175.800 -0.056 0.000 1.109 401 F CA 0.812 58.787 58.000 -0.041 0.000 1.450 401 F CB 0.316 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 0.257 177.847 177.584 0.010 0.000 1.072 402 A CA -0.248 51.810 52.037 0.035 0.000 0.691 402 A CB 0.518 19.521 19.000 0.006 0.000 1.291 402 A HN 0.645 nan 8.150 nan 0.000 0.404 403 G N -0.122 108.674 108.800 -0.007 0.000 2.598 403 G HA2 0.390 4.350 3.960 -0.000 0.000 0.244 403 G HA3 0.390 4.350 3.960 -0.000 0.000 0.244 403 G C 0.208 175.097 174.900 -0.017 0.000 1.302 403 G CA 0.521 45.614 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 -0.580 174.108 174.700 -0.020 0.000 1.115 404 T CA 0.244 62.330 62.100 -0.022 0.000 1.027 404 T CB 1.757 70.612 68.868 -0.023 0.000 1.116 404 T HN 2.051 nan 8.240 nan 0.000 0.464 405 V N 3.161 123.061 119.914 -0.023 0.000 2.567 405 V HA 0.712 4.832 4.120 -0.000 0.000 0.289 405 V C -0.635 175.446 176.094 -0.020 0.000 1.049 405 V CA -0.299 61.989 62.300 -0.021 0.000 0.969 405 V CB 1.113 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 3.743 124.132 120.400 -0.018 0.000 2.385 406 K HA 0.543 4.863 4.320 -0.000 0.000 0.248 406 K C -0.658 175.932 176.600 -0.017 0.000 0.955 406 K CA -0.622 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 0.609 116.299 115.700 -0.017 0.000 2.533 407 S HA 0.281 4.751 4.470 -0.000 0.000 0.282 407 S C 1.054 175.646 174.600 -0.013 0.000 1.304 407 S CA 0.658 58.848 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 2.072 110.865 108.800 -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 0.345 45.441 45.100 -0.007 0.000 0.670 408 G HN 0.738 nan 8.290 nan 0.000 0.528 409 Q N 0.322 120.115 119.800 -0.011 0.000 2.288 409 Q HA 0.449 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 -0.407 55.389 55.803 -0.013 0.000 0.902 409 Q CB 0.417 29.147 28.738 -0.014 0.000 1.203 409 Q HN 0.341 nan 8.270 nan 0.000 0.415 410 K N 2.795 123.185 120.400 -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 0.384 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 0.446 4.566 4.120 -0.000 0.000 0.312 411 V C -0.469 175.589 176.094 -0.059 0.000 1.157 411 V CA -1.246 61.030 62.300 -0.040 0.000 1.041 411 V CB 2.187 33.992 31.823 -0.031 0.000 1.071 411 V HN 0.662 nan 8.190 nan 0.000 0.441 412 R N 1.440 121.899 120.500 -0.067 0.000 2.275 412 R HA 0.580 4.920 4.340 -0.000 0.000 0.326 412 R C -0.920 175.315 176.300 -0.108 0.000 0.973 412 R CA -0.290 55.752 56.100 -0.097 0.000 0.854 412 R CB 0.972 31.202 30.300 -0.117 0.000 1.156 412 R HN 0.570 nan 8.270 nan 0.000 0.487 413 I N 4.020 124.551 120.570 -0.066 0.000 2.363 413 I HA 0.025 4.195 4.170 -0.000 0.000 0.292 413 I C 0.206 176.328 176.117 0.008 0.000 1.075 413 I CA 0.173 61.474 61.300 0.003 0.000 1.333 413 I CB 0.606 38.656 38.000 0.082 0.000 1.415 413 I HN 0.390 nan 8.210 nan 0.000 0.502 414 Q N 5.860 125.609 119.800 -0.086 0.000 2.394 414 Q HA 0.411 4.750 4.340 -0.000 0.000 0.259 414 Q C 0.457 176.494 176.000 0.061 0.000 1.021 414 Q CA -0.592 55.120 55.803 -0.152 0.000 0.805 414 Q CB 1.960 30.360 28.738 -0.563 0.000 1.226 414 Q HN 0.801 nan 8.270 nan 0.000 0.476 415 G N 2.641 111.558 108.800 0.195 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 0.017 nan 4.420 nan 0.000 0.226 416 P C 0.969 178.340 177.300 0.118 0.000 1.153 416 P CA 0.786 63.957 63.100 0.118 0.000 0.777 416 P CB 0.269 32.025 31.700 0.094 0.000 0.794 417 N N -2.444 116.332 118.700 0.127 0.000 2.187 417 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 417 N C -0.022 175.546 175.510 0.097 0.000 1.152 417 N CA -0.254 52.853 53.050 0.095 0.000 0.872 417 N CB 0.088 38.614 38.487 0.066 0.000 1.025 417 N HN 0.198 nan 8.380 nan 0.000 0.514 418 Y N 1.743 122.053 120.300 0.016 0.000 2.497 418 Y HA 0.182 4.732 4.550 -0.000 0.000 0.334 418 Y C -0.199 175.681 175.900 -0.033 0.000 1.199 418 Y CA 0.109 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 -1.888 173.708 176.094 -0.830 0.000 1.065 419 V CA -1.664 60.340 62.300 -0.492 0.000 0.894 419 V CB 1.911 33.571 31.823 -0.273 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 -0.234 0.000 1.147 420 P CA 1.871 64.839 63.100 -0.220 0.000 0.827 420 P CB 0.320 31.880 31.700 -0.233 0.000 0.778 421 G N -1.392 107.256 108.800 -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 0.191 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 0.271 120.500 120.400 -0.286 0.000 2.109 422 K HA 0.358 4.678 4.320 -0.000 0.000 0.243 422 K C 0.151 176.560 176.600 -0.318 0.000 1.006 422 K CA -0.505 55.630 56.287 -0.253 0.000 0.917 422 K CB 1.085 33.454 32.500 -0.219 0.000 1.081 422 K HN 0.101 nan 8.250 nan 0.000 0.468 423 K N 0.536 120.810 120.400 -0.209 0.000 2.570 423 K HA 0.062 4.382 4.320 -0.000 0.000 0.210 423 K C -0.764 175.729 176.600 -0.177 0.000 1.048 423 K CA -0.359 55.823 56.287 -0.175 0.000 1.167 423 K CB -0.280 32.149 32.500 -0.118 0.000 0.892 423 K HN 0.490 nan 8.250 nan 0.000 0.480 424 D N 0.873 121.156 120.400 -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 0.650 41.389 40.800 -0.101 0.000 1.202 424 D HN 0.031 nan 8.370 nan 0.000 0.426 425 D N -1.246 119.118 120.400 -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 54.677 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 0.267 121.346 121.223 -0.240 0.000 2.416 426 L HA 0.368 4.708 4.340 -0.000 0.000 0.272 426 L C -0.688 175.724 176.870 -0.763 0.000 1.161 426 L CA 0.412 55.123 54.840 -0.216 0.000 0.845 426 L CB 0.179 42.271 42.059 0.055 0.000 1.119 426 L HN -0.084 nan 8.230 nan 0.000 0.464 427 F N 5.890 125.786 119.950 -0.089 0.000 2.915 427 F HA 0.426 4.953 4.527 -0.000 0.000 0.350 427 F C -0.327 175.272 175.800 -0.334 0.000 1.248 427 F CA -0.512 57.330 58.000 -0.263 0.000 1.084 427 F CB 0.926 39.685 39.000 -0.400 0.000 1.391 427 F HN 0.234 nan 8.300 nan 0.000 0.548 428 I N 3.943 124.431 120.570 -0.137 0.000 2.342 428 I HA 0.495 4.665 4.170 -0.000 0.000 0.291 428 I C -0.246 175.755 176.117 -0.193 0.000 1.010 428 I CA -0.441 60.778 61.300 -0.135 0.000 1.308 428 I CB 1.613 39.564 38.000 -0.081 0.000 1.400 428 I HN 0.440 nan 8.210 nan 0.000 0.488 429 K N 4.141 124.435 120.400 -0.177 0.000 2.597 429 K HA 0.684 5.004 4.320 -0.000 0.000 0.282 429 K C -1.324 175.241 176.600 -0.058 0.000 0.975 429 K CA -0.496 55.708 56.287 -0.139 0.000 0.867 429 K CB 1.916 34.258 32.500 -0.264 0.000 1.465 429 K HN 0.583 nan 8.250 nan 0.000 0.417 430 A N 2.715 125.527 122.820 -0.013 0.000 2.340 430 A HA 0.567 4.887 4.320 -0.000 0.000 0.268 430 A C -0.296 177.295 177.584 0.011 0.000 1.100 430 A CA -0.422 51.614 52.037 -0.003 0.000 0.803 430 A CB -0.054 18.948 19.000 0.004 0.000 1.043 430 A HN 0.606 nan 8.150 nan 0.000 0.488 431 I N 2.334 122.904 120.570 0.001 0.000 2.337 431 I HA 0.028 4.198 4.170 -0.000 0.000 0.291 431 I C 1.217 177.330 176.117 -0.008 0.000 1.046 431 I CA 0.044 61.344 61.300 -0.000 0.000 1.324 431 I CB 1.143 39.136 38.000 -0.012 0.000 1.409 431 I HN 0.890 nan 8.210 nan 0.000 0.494 432 Q N 4.211 124.005 119.800 -0.010 0.000 2.084 432 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 432 Q C 0.477 176.455 176.000 -0.038 0.000 0.978 432 Q CA 1.314 57.105 55.803 -0.019 0.000 0.844 432 Q CB 0.172 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 -1.064 119.397 120.500 -0.065 0.000 2.594 433 R HA 0.349 4.689 4.340 -0.000 0.000 0.265 433 R C -2.089 174.163 176.300 -0.079 0.000 1.070 433 R CA -0.278 55.780 56.100 -0.069 0.000 0.909 433 R CB 2.021 32.271 30.300 -0.084 0.000 1.243 433 R HN -0.145 nan 8.270 nan 0.000 0.455 434 V N 4.616 124.500 119.914 -0.050 0.000 2.370 434 V HA 0.569 4.689 4.120 -0.000 0.000 0.283 434 V C -0.421 175.660 176.094 -0.022 0.000 1.023 434 V CA -0.553 61.725 62.300 -0.038 0.000 0.857 434 V CB 1.475 33.283 31.823 -0.024 0.000 0.985 434 V HN 0.583 nan 8.190 nan 0.000 0.443 435 V N 3.981 123.889 119.914 -0.010 0.000 2.769 435 V HA 0.661 4.781 4.120 -0.000 0.000 0.312 435 V C -0.486 175.650 176.094 0.069 0.000 1.061 435 V CA -0.999 61.320 62.300 0.033 0.000 0.931 435 V CB 1.950 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 4.626 125.898 121.223 0.081 0.000 2.331 436 L HA 0.431 4.771 4.340 -0.000 0.000 0.278 436 L C 0.188 177.140 176.870 0.137 0.000 1.106 436 L CA -0.248 54.651 54.840 0.097 0.000 0.824 436 L CB 1.197 43.307 42.059 0.085 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 0.165 0.000 2.261 437 M HA 0.306 4.786 4.480 -0.000 0.000 0.349 437 M C -0.560 175.823 176.300 0.138 0.000 1.305 437 M CA 0.238 55.643 55.300 0.175 0.000 1.240 437 M CB 0.612 33.364 32.600 0.253 0.000 1.394 437 M HN 0.521 nan 8.290 nan 0.000 0.438 438 M N 2.542 122.222 119.600 0.134 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 -0.183 55.197 55.300 0.133 0.000 1.053 438 M CB 0.505 33.201 32.600 0.161 0.000 1.284 438 M HN 0.926 nan 8.290 nan 0.000 0.410 439 G N 3.235 112.059 108.800 0.039 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 -0.156 0.000 1.153 439 G CA 0.067 45.146 45.100 -0.035 0.000 0.968 439 G HN 0.693 nan 8.290 nan 0.000 0.544 440 R N -0.070 120.207 120.500 -0.372 0.000 2.317 440 R HA 0.344 4.684 4.340 -0.000 0.000 0.208 440 R C 0.175 176.036 176.300 -0.732 0.000 0.914 440 R CA 0.258 55.987 56.100 -0.618 0.000 1.060 440 R CB 0.054 29.855 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 0.412 176.238 175.800 0.043 0.000 1.058 441 F CA -1.467 56.540 58.000 0.012 0.000 0.988 441 F CB 1.036 40.044 39.000 0.013 0.000 1.275 441 F HN -0.349 nan 8.300 nan 0.000 0.488 442 V N -1.208 118.875 119.914 0.281 0.000 3.001 442 V HA 0.883 5.002 4.120 -0.000 0.000 0.314 442 V C -1.482 174.710 176.094 0.163 0.000 1.099 442 V CA -0.844 61.581 62.300 0.208 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 2.379 122.652 120.200 0.121 0.000 2.343 443 E HA 0.586 4.936 4.350 -0.000 0.000 0.260 443 E C -3.042 173.592 176.600 0.058 0.000 0.908 443 E CA -2.023 54.425 56.400 0.080 0.000 0.814 443 E CB 2.172 31.913 29.700 0.070 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 -0.613 176.697 177.300 0.016 0.000 1.187 444 P CA 0.279 63.392 63.100 0.021 0.000 0.766 444 P CB 0.498 32.208 31.700 0.016 0.000 0.820 445 I N 1.740 122.315 120.570 0.007 0.000 2.994 445 I HA 0.216 4.386 4.170 -0.000 0.000 0.306 445 I C 0.493 176.608 176.117 -0.005 0.000 1.195 445 I CA -0.707 60.595 61.300 0.003 0.000 1.001 445 I CB 2.437 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 2.102 122.498 120.400 -0.007 0.000 2.120 446 D HA 0.001 4.640 4.640 -0.000 0.000 0.202 446 D C -0.484 175.808 176.300 -0.013 0.000 0.972 446 D CA 1.354 55.348 54.000 -0.010 0.000 0.837 446 D CB 0.118 40.912 40.800 -0.010 0.000 0.989 446 D HN 0.690 nan 8.370 nan 0.000 0.469 447 D N -1.803 118.589 120.400 -0.014 0.000 2.664 447 D HA 0.402 5.041 4.640 -0.000 0.000 0.292 447 D C -1.195 175.094 176.300 -0.019 0.000 1.214 447 D CA -0.913 53.077 54.000 -0.017 0.000 0.932 447 D CB 1.837 42.627 40.800 -0.017 0.000 1.420 447 D HN 0.013 nan 8.370 nan 0.000 0.471 448 C N 1.375 120.661 119.300 -0.024 0.000 2.817 448 C HA 0.614 5.074 4.460 -0.000 0.000 0.385 448 C C -2.874 172.094 174.990 -0.037 0.000 1.050 448 C CA -0.885 58.115 59.018 -0.030 0.000 1.245 448 C CB 0.987 28.707 27.740 -0.033 0.000 1.706 448 C HN 0.580 nan 8.230 nan 0.000 0.488 449 P HA 0.387 nan 4.420 nan 0.000 0.278 449 P C -0.254 177.012 177.300 -0.056 0.000 1.266 449 P CA 0.047 63.123 63.100 -0.040 0.000 0.807 449 P CB 0.896 32.575 31.700 -0.035 0.000 1.094 450 A N 0.286 123.075 122.820 -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 1.103 53.099 52.037 -0.067 0.000 0.755 450 A CB -1.659 17.320 19.000 -0.036 0.000 0.980 450 A HN 0.907 nan 8.150 nan 0.000 0.506 451 G N 1.888 110.596 108.800 -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 0.109 174.909 174.900 -0.166 0.000 0.994 451 G CA 0.123 45.129 45.100 -0.158 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 -0.157 0.000 2.443 452 N HA 0.662 5.402 4.740 -0.000 0.000 0.293 452 N C -0.579 174.832 175.510 -0.165 0.000 1.159 452 N CA -0.418 52.557 53.050 -0.125 0.000 0.904 452 N CB 1.645 40.086 38.487 -0.076 0.000 1.214 452 N HN 0.088 nan 8.380 nan 0.000 0.513 453 I N 1.223 121.722 120.570 -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 -0.143 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 2.678 123.149 120.570 -0.165 0.000 2.961 454 I HA 0.653 4.823 4.170 -0.000 0.000 0.303 454 I C -0.879 175.220 176.117 -0.030 0.000 1.505 454 I CA -0.177 61.090 61.300 -0.054 0.000 0.964 454 I CB 2.140 40.104 38.000 -0.059 0.000 1.348 454 I HN 0.508 nan 8.210 nan 0.000 0.508 455 G N 4.480 113.320 108.800 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 -1.788 173.129 174.900 0.029 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 0.602 4.942 4.340 -0.000 0.000 0.278 456 L C -0.065 176.722 176.870 -0.139 0.000 1.005 456 L CA -1.235 53.574 54.840 -0.052 0.000 0.818 456 L CB 1.966 44.015 42.059 -0.017 0.000 1.259 456 L HN 0.375 nan 8.230 nan 0.000 0.418 457 V N 2.434 122.187 119.914 -0.269 0.000 2.483 457 V HA 0.852 4.972 4.120 -0.000 0.000 0.295 457 V C 0.681 176.683 176.094 -0.154 0.000 1.035 457 V CA 0.786 62.832 62.300 -0.422 0.000 0.896 457 V CB 1.193 32.566 31.823 -0.749 0.000 0.986 457 V HN 0.978 nan 8.190 nan 0.000 0.447 458 G N 5.247 114.012 108.800 -0.058 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 0.279 175.230 174.900 0.084 0.000 0.995 458 G CA 0.154 45.267 45.100 0.021 0.000 0.651 458 G HN 0.786 nan 8.290 nan 0.000 0.511 459 I N 1.627 122.246 120.570 0.082 0.000 3.728 459 I HA 0.142 4.312 4.170 -0.000 0.000 0.307 459 I C 1.990 178.134 176.117 0.044 0.000 1.276 459 I CA 0.924 62.304 61.300 0.133 0.000 1.285 459 I CB -0.799 37.262 38.000 0.102 0.000 1.038 459 I HN 0.082 nan 8.210 nan 0.000 0.445 460 D N 2.272 122.679 120.400 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 -0.478 40.327 40.800 0.007 0.000 0.986 460 D HN 0.420 nan 8.370 nan 0.000 0.456 461 Q N 0.290 119.850 119.800 -0.401 0.000 2.135 461 Q HA -0.169 4.170 4.340 -0.000 0.000 0.204 461 Q C 2.130 177.713 176.000 -0.696 0.000 0.981 461 Q CA 1.384 56.822 55.803 -0.610 0.000 0.856 461 Q CB -0.864 27.354 28.738 -0.867 0.000 0.902 461 Q HN 0.416 nan 8.270 nan 0.000 0.425 462 F N 0.203 119.941 119.950 -0.353 0.000 2.416 462 F HA 0.250 4.777 4.527 -0.000 0.000 0.296 462 F C 0.877 176.441 175.800 -0.393 0.000 1.099 462 F CA -0.020 57.591 58.000 -0.649 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 0.177 121.361 121.223 -0.066 0.000 2.408 463 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 463 L C -1.132 175.705 176.870 -0.055 0.000 0.986 463 L CA -0.672 54.156 54.840 -0.021 0.000 0.820 463 L CB 1.978 44.055 42.059 0.030 0.000 1.303 463 L HN -0.140 nan 8.230 nan 0.000 0.411 464 L N 5.801 126.995 121.223 -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 -0.596 54.200 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 -0.009 0.000 5.647 465 K HA -0.148 4.172 4.320 -0.000 0.000 0.463 465 K C 0.003 176.599 176.600 -0.007 0.000 1.759 465 K CA 0.933 57.228 56.287 0.014 0.000 0.955 465 K CB -0.742 31.770 32.500 0.019 0.000 1.358 465 K HN 0.751 nan 8.250 nan 0.000 0.433 466 T N -0.403 114.142 114.554 -0.015 0.000 2.860 466 T HA 0.554 4.904 4.350 -0.000 0.000 0.299 466 T C 0.589 175.240 174.700 -0.081 0.000 1.045 466 T CA 0.262 62.302 62.100 -0.100 0.000 1.071 466 T CB 1.443 70.285 68.868 -0.042 0.000 0.985 466 T HN 0.870 nan 8.240 nan 0.000 0.537 467 G N -0.148 108.548 108.800 -0.173 0.000 2.490 467 G HA2 0.579 4.539 3.960 -0.000 0.000 0.308 467 G HA3 0.579 4.539 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 -0.798 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 -1.255 173.448 174.700 0.004 0.000 0.960 468 T CA -0.356 61.773 62.100 0.050 0.000 1.041 468 T CB 1.292 70.225 68.868 0.108 0.000 1.065 468 T HN 0.391 nan 8.240 nan 0.000 0.459 469 L N 3.997 125.232 121.223 0.019 0.000 2.292 469 L HA 0.758 5.098 4.340 -0.000 0.000 0.284 469 L C 0.875 177.744 176.870 -0.002 0.000 1.065 469 L CA 0.093 54.929 54.840 -0.006 0.000 0.806 469 L CB 1.293 43.352 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 4.747 4.350 -0.000 0.000 0.296 470 T C 0.135 174.814 174.700 -0.034 0.000 1.117 470 T CA -0.512 61.572 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 0.714 115.256 114.554 -0.021 0.000 3.200 471 T HA 0.428 4.778 4.350 -0.000 0.000 0.284 471 T C -0.042 174.650 174.700 -0.013 0.000 1.009 471 T CA -0.118 61.970 62.100 -0.020 0.000 0.907 471 T CB -0.359 68.500 68.868 -0.015 0.000 1.120 471 T HN 0.829 nan 8.240 nan 0.000 0.534 472 S N 0.234 115.928 115.700 -0.010 0.000 2.519 472 S HA 0.402 4.871 4.470 -0.000 0.000 0.309 472 S C 0.723 175.329 174.600 0.010 0.000 1.100 472 S CA -0.573 57.629 58.200 0.004 0.000 1.059 472 S CB 1.815 65.024 63.200 0.015 0.000 1.008 472 S HN 0.380 nan 8.310 nan 0.000 0.478 473 E N 2.669 122.879 120.200 0.017 0.000 2.338 473 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 473 E C 0.907 177.537 176.600 0.051 0.000 1.007 473 E CA 1.179 57.597 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 0.091 69.005 68.868 0.076 0.000 0.900 474 T HN 0.230 nan 8.240 nan 0.000 0.480 475 A N 1.875 124.758 122.820 0.104 0.000 2.591 475 A HA 0.041 4.361 4.320 -0.000 0.000 0.244 475 A C -0.033 177.663 177.584 0.186 0.000 1.031 475 A CA 0.487 52.622 52.037 0.163 0.000 0.767 475 A CB -0.380 18.668 19.000 0.079 0.000 0.942 475 A HN 0.579 nan 8.150 nan 0.000 0.514 476 H N 1.606 120.858 119.070 0.304 0.000 2.495 476 H HA 0.279 4.835 4.556 -0.000 0.000 0.350 476 H C 0.752 176.173 175.328 0.156 0.000 1.202 476 H CA -0.033 56.099 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 1.213 120.055 118.700 0.237 0.000 2.483 477 N HA 0.103 4.843 4.740 -0.000 0.000 0.269 477 N C -0.253 175.345 175.510 0.146 0.000 1.209 477 N CA -0.061 53.098 53.050 0.182 0.000 0.969 477 N CB 0.855 39.450 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 4.766 4.480 -0.000 0.000 0.235 478 M C 0.845 177.195 176.300 0.083 0.000 1.193 478 M CA 0.034 55.409 55.300 0.126 0.000 0.959 478 M CB 0.731 33.412 32.600 0.135 0.000 1.313 478 M HN 0.404 nan 8.290 nan 0.000 0.530 479 K N -0.607 119.775 120.400 -0.030 0.000 1.726 479 K HA 0.629 4.949 4.320 -0.000 0.000 0.278 479 K C -0.930 175.679 176.600 0.016 0.000 0.842 479 K CA -0.272 56.009 56.287 -0.010 0.000 0.597 479 K CB 1.732 34.203 32.500 -0.048 0.000 2.677 479 K HN 0.514 nan 8.250 nan 0.000 0.945 480 V N -0.341 119.590 119.914 0.027 0.000 4.235 480 V HA 0.194 4.314 4.120 -0.000 0.000 0.562 480 V C -0.206 175.932 176.094 0.074 0.000 1.869 480 V CA -0.123 62.211 62.300 0.057 0.000 2.334 480 V CB -0.295 31.566 31.823 0.063 0.000 1.069 480 V HN 0.979 nan 8.190 nan 0.000 0.558 481 M N 0.454 120.102 119.600 0.079 0.000 7.319 481 M HA -0.247 4.233 4.480 -0.000 0.000 0.207 481 M C 0.360 176.655 176.300 -0.009 0.000 0.480 481 M CA 2.285 57.678 55.300 0.155 0.000 1.311 481 M CB -0.431 32.382 32.600 0.355 0.000 0.421 481 M HN 0.272 nan 8.290 nan 0.000 0.243 482 K N 0.841 121.890 120.400 1.080 0.000 2.414 482 K HA 0.216 4.536 4.320 -0.000 0.000 0.204 482 K C -0.510 176.723 176.600 1.054 0.000 1.026 482 K CA 0.349 56.972 56.287 0.561 0.000 1.108 482 K CB -0.294 32.330 32.500 0.206 0.000 0.855 482 K HN 0.476 nan 8.250 nan 0.000 0.517 483 F N 1.034 120.999 119.950 0.024 0.000 2.304 483 F HA -0.177 4.350 4.527 -0.000 0.000 0.321 483 F C 0.562 176.487 175.800 0.209 0.000 0.865 483 F CA -0.271 57.819 58.000 0.149 0.000 1.105 483 F CB -0.913 38.105 39.000 0.030 0.000 0.864 483 F HN -0.172 nan 8.300 nan 0.000 0.609 484 S N 0.817 116.833 115.700 0.526 0.000 2.568 484 S HA 0.411 4.881 4.470 -0.000 0.000 0.282 484 S C 0.665 175.448 174.600 0.306 0.000 1.338 484 S CA -0.282 58.160 58.200 0.402 0.000 1.045 484 S CB 0.692 64.072 63.200 0.299 0.000 0.873 484 S HN 1.412 nan 8.310 nan 0.000 0.516 485 V N 1.209 121.268 119.914 0.240 0.000 3.330 485 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 485 V C 0.134 176.297 176.094 0.115 0.000 1.481 485 V CA -0.346 62.054 62.300 0.166 0.000 1.068 485 V CB 0.105 32.046 31.823 0.196 0.000 0.935 485 V HN 0.531 nan 8.190 nan 0.000 0.453 486 S N 2.373 118.153 115.700 0.133 0.000 2.472 486 S HA 0.619 5.089 4.470 -0.000 0.000 0.303 486 S C -2.673 172.003 174.600 0.127 0.000 1.099 486 S CA -0.947 57.324 58.200 0.118 0.000 1.077 486 S CB 1.744 65.017 63.200 0.123 0.000 1.031 486 S HN 0.224 nan 8.310 nan 0.000 0.487 487 P HA 0.051 nan 4.420 nan 0.000 0.232 487 P C 0.991 178.378 177.300 0.145 0.000 1.738 487 P CA -0.071 63.112 63.100 0.139 0.000 0.948 487 P CB -0.655 31.127 31.700 0.135 0.000 1.943 488 V N -2.148 117.856 119.914 0.150 0.000 2.970 488 V HA -0.020 4.100 4.120 -0.000 0.000 0.260 488 V C 0.751 176.947 176.094 0.169 0.000 1.100 488 V CA 0.732 63.125 62.300 0.155 0.000 1.122 488 V CB -0.564 31.361 31.823 0.169 0.000 0.721 488 V HN -0.040 nan 8.190 nan 0.000 0.483 489 V N 3.102 123.111 119.914 0.159 0.000 2.347 489 V HA 0.518 4.637 4.120 -0.000 0.000 0.280 489 V C -0.329 175.836 176.094 0.119 0.000 1.021 489 V CA -0.370 62.020 62.300 0.149 0.000 0.847 489 V CB 0.732 32.632 31.823 0.128 0.000 0.990 489 V HN 0.703 nan 8.190 nan 0.000 0.444 490 Q N 4.041 123.914 119.800 0.121 0.000 2.389 490 Q HA 0.877 5.217 4.340 -0.000 0.000 0.277 490 Q C -1.158 174.849 176.000 0.013 0.000 1.082 490 Q CA -0.982 54.863 55.803 0.071 0.000 0.810 490 Q CB 3.162 31.965 28.738 0.108 0.000 1.374 490 Q HN 0.608 nan 8.270 nan 0.000 0.422 491 V N -2.743 117.150 119.914 -0.035 0.000 3.130 491 V HA 0.978 5.098 4.120 -0.000 0.000 0.310 491 V C -0.920 175.126 176.094 -0.080 0.000 1.158 491 V CA -1.178 61.080 62.300 -0.070 0.000 1.029 491 V CB 1.615 33.398 31.823 -0.067 0.000 1.057 491 V HN 0.919 nan 8.190 nan 0.000 0.436 492 A N 1.546 124.320 122.820 -0.076 0.000 2.301 492 A HA 0.829 5.149 4.320 -0.000 0.000 0.298 492 A C -0.414 177.146 177.584 -0.039 0.000 1.185 492 A CA -0.555 51.444 52.037 -0.063 0.000 0.830 492 A CB 0.924 19.892 19.000 -0.053 0.000 1.112 492 A HN 1.366 nan 8.150 nan 0.000 0.508 493 V N 2.356 122.261 119.914 -0.015 0.000 2.555 493 V HA 0.673 4.793 4.120 -0.000 0.000 0.302 493 V C -0.041 176.071 176.094 0.030 0.000 1.038 493 V CA -0.480 61.816 62.300 -0.006 0.000 0.887 493 V CB 1.464 33.271 31.823 -0.026 0.000 0.991 493 V HN 1.021 nan 8.190 nan 0.000 0.434 494 E N 2.566 122.774 120.200 0.012 0.000 2.372 494 E HA 0.531 4.880 4.350 -0.000 0.000 0.279 494 E C -1.213 175.389 176.600 0.002 0.000 0.946 494 E CA -0.745 55.673 56.400 0.029 0.000 0.769 494 E CB 2.716 32.439 29.700 0.038 0.000 1.230 494 E HN 0.642 nan 8.360 nan 0.000 0.442 495 V N 1.757 121.670 119.914 -0.001 0.000 2.715 495 V HA 0.245 4.365 4.120 -0.000 0.000 0.299 495 V C 0.879 176.971 176.094 -0.004 0.000 1.054 495 V CA -0.063 62.230 62.300 -0.011 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 2.131 122.526 120.400 -0.008 0.000 2.288 496 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 496 K C 0.725 177.322 176.600 -0.004 0.000 1.048 496 K CA 0.770 57.053 56.287 -0.005 0.000 0.956 496 K CB 0.022 32.517 32.500 -0.008 0.000 0.746 496 K HN 0.802 nan 8.250 nan 0.000 0.461 497 N N 0.355 119.051 118.700 -0.007 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 -0.006 0.000 0.904 497 N CB 1.445 39.927 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 18.502 19.000 0.007 0.000 0.833 498 A HN 0.818 nan 8.150 nan 0.000 0.482 499 N N 0.087 118.786 118.700 -0.002 0.000 2.519 499 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 499 N C 0.537 176.041 175.510 -0.009 0.000 1.062 499 N CA 1.302 54.349 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 0.873 121.266 120.400 -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 53.910 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 56.582 54.840 -0.024 0.000 0.776 501 L CB -1.719 40.347 42.059 0.012 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 1.294 178.570 177.300 -0.041 0.000 1.153 502 P CA 1.389 64.472 63.100 -0.028 0.000 0.848 502 P CB 0.028 31.718 31.700 -0.017 0.000 0.787 503 K N -1.016 119.359 120.400 -0.041 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 57.133 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 1.158 122.329 121.223 -0.087 0.000 2.005 504 L HA -0.131 4.208 4.340 -0.000 0.000 0.207 504 L C 1.983 178.741 176.870 -0.187 0.000 1.072 504 L CA 1.563 56.321 54.840 -0.137 0.000 0.744 504 L CB -0.484 41.468 42.059 -0.178 0.000 0.895 504 L HN -0.119 nan 8.230 nan 0.000 0.433 505 V N 0.025 119.819 119.914 -0.200 0.000 2.469 505 V HA -0.248 3.871 4.120 -0.000 0.000 0.251 505 V C 2.663 178.697 176.094 -0.100 0.000 1.064 505 V CA 1.827 64.021 62.300 -0.177 0.000 1.066 505 V CB -0.766 31.004 31.823 -0.088 0.000 0.667 505 V HN 0.563 nan 8.190 nan 0.000 0.461 506 E N 0.963 121.119 120.200 -0.074 0.000 2.112 506 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 506 E C 2.233 178.806 176.600 -0.045 0.000 0.979 506 E CA 1.325 57.696 56.400 -0.048 0.000 0.814 506 E CB -0.699 28.983 29.700 -0.030 0.000 0.762 506 E HN 0.418 nan 8.360 nan 0.000 0.460 507 G N 0.972 109.747 108.800 -0.042 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 1.585 176.439 174.900 -0.077 0.000 1.146 507 G CA 0.946 46.040 45.100 -0.009 0.000 0.769 507 G HN 0.307 nan 8.290 nan 0.000 0.547 508 L N -0.037 121.122 121.223 -0.107 0.000 2.046 508 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 508 L C 2.980 179.769 176.870 -0.134 0.000 1.077 508 L CA 1.390 56.155 54.840 -0.126 0.000 0.747 508 L CB -0.328 41.661 42.059 -0.115 0.000 0.896 508 L HN 0.194 nan 8.230 nan 0.000 0.432 509 K N -0.057 120.278 120.400 -0.109 0.000 2.026 509 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 509 K C 2.263 178.767 176.600 -0.161 0.000 1.048 509 K CA 1.297 57.517 56.287 -0.113 0.000 0.929 509 K CB -0.189 32.260 32.500 -0.084 0.000 0.713 509 K HN 0.246 nan 8.250 nan 0.000 0.439 510 R N 0.702 121.117 120.500 -0.141 0.000 2.091 510 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 510 R C 2.415 178.512 176.300 -0.339 0.000 1.136 510 R CA 1.204 57.224 56.100 -0.133 0.000 0.959 510 R CB -0.472 29.866 30.300 0.064 0.000 0.856 510 R HN 0.127 nan 8.270 nan 0.000 0.437 511 L N 0.687 121.566 121.223 -0.572 0.000 2.017 511 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 511 L C 1.937 178.621 176.870 -0.311 0.000 1.073 511 L CA 1.867 56.276 54.840 -0.719 0.000 0.745 511 L CB -0.525 41.223 42.059 -0.518 0.000 0.894 511 L HN -0.020 nan 8.230 nan 0.000 0.432 512 S N -0.147 115.420 115.700 -0.220 0.000 2.356 512 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 512 S C 1.866 176.372 174.600 -0.157 0.000 1.032 512 S CA 1.693 59.810 58.200 -0.139 0.000 1.005 512 S CB -0.328 62.810 63.200 -0.103 0.000 0.867 512 S HN 0.493 nan 8.310 nan 0.000 0.449 513 K N 1.455 121.705 120.400 -0.250 0.000 2.097 513 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 513 K C 2.455 178.835 176.600 -0.366 0.000 1.049 513 K CA 1.588 57.645 56.287 -0.385 0.000 0.933 513 K CB -0.261 31.852 32.500 -0.646 0.000 0.717 513 K HN 0.490 nan 8.250 nan 0.000 0.442 514 S N -0.038 115.559 115.700 -0.171 0.000 2.496 514 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 514 S C 0.417 175.112 174.600 0.159 0.000 0.996 514 S CA 0.216 58.585 58.200 0.281 0.000 0.927 514 S CB 0.195 63.723 63.200 0.547 0.000 0.774 514 S HN 0.075 nan 8.310 nan 0.000 0.524 515 D N 1.360 121.788 120.400 0.046 0.000 2.549 515 D HA 0.408 5.048 4.640 -0.000 0.000 0.251 515 D C -2.417 173.903 176.300 0.032 0.000 1.153 515 D CA -2.141 51.895 54.000 0.060 0.000 0.861 515 D CB 2.362 43.207 40.800 0.074 0.000 1.207 515 D HN -0.107 nan 8.370 nan 0.000 0.543 516 P HA 0.024 nan 4.420 nan 0.000 0.217 516 P C 1.164 178.477 177.300 0.022 0.000 1.151 516 P CA 0.552 63.665 63.100 0.022 0.000 0.828 516 P CB 0.407 32.126 31.700 0.031 0.000 0.788 517 C N -1.235 118.067 119.300 0.003 0.000 2.576 517 C HA 0.225 4.685 4.460 -0.000 0.000 0.267 517 C C 1.226 176.315 174.990 0.165 0.000 1.364 517 C CA -0.229 58.795 59.018 0.010 0.000 1.723 517 C CB -1.209 26.396 27.740 -0.225 0.000 1.778 517 C HN 0.043 nan 8.230 nan 0.000 0.572 518 V N 1.780 121.785 119.914 0.151 0.000 2.567 518 V HA 0.648 4.768 4.120 -0.000 0.000 0.289 518 V C -0.654 175.475 176.094 0.059 0.000 1.049 518 V CA -0.336 62.024 62.300 0.099 0.000 0.969 518 V CB 1.616 33.436 31.823 -0.004 0.000 0.995 518 V HN 0.290 nan 8.190 nan 0.000 0.471 519 L N 5.917 127.179 121.223 0.066 0.000 2.408 519 L HA 0.902 5.242 4.340 -0.000 0.000 0.268 519 L C -0.367 176.559 176.870 0.094 0.000 0.986 519 L CA 0.246 55.146 54.840 0.100 0.000 0.820 519 L CB 2.397 44.550 42.059 0.156 0.000 1.303 519 L HN 0.871 nan 8.230 nan 0.000 0.411 520 T N 1.517 116.134 114.554 0.106 0.000 2.916 520 T HA 0.802 5.152 4.350 -0.000 0.000 0.298 520 T C -0.983 173.807 174.700 0.150 0.000 1.031 520 T CA -0.495 61.630 62.100 0.041 0.000 0.993 520 T CB 1.384 70.245 68.868 -0.010 0.000 1.045 520 T HN 0.829 nan 8.240 nan 0.000 0.454 521 Y N 0.280 120.601 120.300 0.035 0.000 2.677 521 Y HA 0.755 5.305 4.550 -0.000 0.000 0.334 521 Y C -1.194 174.716 175.900 0.017 0.000 1.196 521 Y CA -1.821 56.295 58.100 0.027 0.000 1.059 521 Y CB 1.461 39.927 38.460 0.011 0.000 1.315 521 Y HN 0.832 nan 8.280 nan 0.000 0.455 522 M N 3.594 123.275 119.600 0.134 0.000 2.144 522 M HA 0.503 4.983 4.480 -0.000 0.000 0.356 522 M C -0.067 176.296 176.300 0.105 0.000 1.217 522 M CA -0.122 55.167 55.300 -0.018 0.000 1.087 522 M CB 0.961 33.526 32.600 -0.059 0.000 1.609 522 M HN 0.841 nan 8.290 nan 0.000 0.467 523 S N 2.474 118.172 115.700 -0.004 0.000 2.614 523 S HA 0.194 4.664 4.470 -0.000 0.000 0.265 523 S C 0.851 175.474 174.600 0.039 0.000 1.303 523 S CA -0.327 57.921 58.200 0.080 0.000 1.000 523 S CB 1.060 64.270 63.200 0.018 0.000 0.935 523 S HN 0.852 nan 8.310 nan 0.000 0.551 524 E N 1.180 121.405 120.200 0.041 0.000 2.209 524 E HA -0.098 4.251 4.350 -0.000 0.000 0.196 524 E C 1.337 177.944 176.600 0.011 0.000 0.993 524 E CA 1.601 58.012 56.400 0.018 0.000 0.819 524 E CB -0.471 29.236 29.700 0.010 0.000 0.745 524 E HN 0.630 nan 8.360 nan 0.000 0.477 525 S N -1.111 114.597 115.700 0.012 0.000 2.577 525 S HA 0.300 4.769 4.470 -0.000 0.000 0.219 525 S C 0.942 175.537 174.600 -0.009 0.000 0.962 525 S CA 0.355 58.565 58.200 0.015 0.000 0.921 525 S CB 0.620 63.846 63.200 0.043 0.000 0.789 525 S HN 0.507 nan 8.310 nan 0.000 0.497 526 G N 1.929 110.706 108.800 -0.039 0.000 2.149 526 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.235 526 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.235 526 G C -0.417 174.398 174.900 -0.140 0.000 1.018 526 G CA -0.311 44.738 45.100 -0.085 0.000 0.728 526 G HN 0.518 nan 8.290 nan 0.000 0.508 527 E N 0.162 120.277 120.200 -0.140 0.000 2.195 527 E HA 0.385 4.735 4.350 -0.000 0.000 0.271 527 E C -0.244 176.212 176.600 -0.241 0.000 0.923 527 E CA -0.981 55.325 56.400 -0.157 0.000 0.790 527 E CB 1.066 30.720 29.700 -0.077 0.000 1.155 527 E HN 0.409 nan 8.360 nan 0.000 0.402 528 H N 2.560 121.573 119.070 -0.096 0.000 2.848 528 H HA 0.143 4.699 4.556 -0.000 0.000 0.317 528 H C -0.113 175.088 175.328 -0.211 0.000 1.046 528 H CA 0.213 56.178 56.048 -0.138 0.000 1.470 528 H CB 0.515 30.220 29.762 -0.096 0.000 1.483 528 H HN 0.239 nan 8.280 nan 0.000 0.548 529 I N 4.149 124.551 120.570 -0.279 0.000 2.441 529 I HA 0.178 4.348 4.170 -0.000 0.000 0.295 529 I C 0.240 176.172 176.117 -0.307 0.000 0.994 529 I CA -0.739 60.319 61.300 -0.403 0.000 1.144 529 I CB 1.757 39.232 38.000 -0.876 0.000 1.314 529 I HN 0.186 nan 8.210 nan 0.000 0.445 530 V N 4.898 124.710 119.914 -0.169 0.000 2.487 530 V HA 0.793 4.912 4.120 -0.000 0.000 0.298 530 V C 0.043 176.106 176.094 -0.051 0.000 1.028 530 V CA -0.585 61.657 62.300 -0.096 0.000 0.860 530 V CB 1.746 33.522 31.823 -0.079 0.000 0.991 530 V HN 0.904 nan 8.190 nan 0.000 0.427 531 A N 3.458 126.280 122.820 0.004 0.000 2.386 531 A HA 0.981 5.300 4.320 -0.000 0.000 0.311 531 A C -0.003 177.615 177.584 0.057 0.000 1.068 531 A CA -0.141 51.932 52.037 0.060 0.000 0.743 531 A CB 1.876 20.963 19.000 0.146 0.000 1.258 531 A HN 1.093 nan 8.150 nan 0.000 0.429 532 G N -0.442 108.403 108.800 0.075 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 0.509 175.559 174.900 0.250 0.000 1.269 532 G CA 0.264 45.454 45.100 0.150 0.000 0.959 532 G HN 0.533 nan 8.290 nan 0.000 0.478 533 T N -0.158 114.630 114.554 0.390 0.000 2.720 533 T HA 0.106 4.456 4.350 -0.000 0.000 0.268 533 T C 1.165 175.966 174.700 0.169 0.000 1.037 533 T CA 1.995 64.199 62.100 0.174 0.000 1.144 533 T CB -0.319 68.517 68.868 -0.053 0.000 0.864 533 T HN 0.932 nan 8.240 nan 0.000 0.444 534 G N -0.784 108.130 108.800 0.190 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 -0.155 174.826 174.900 0.135 0.000 1.416 534 G CA -0.566 44.625 45.100 0.151 0.000 0.829 534 G HN 0.039 nan 8.290 nan 0.000 0.480 535 E N -0.498 119.764 120.200 0.103 0.000 2.097 535 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 535 E C 2.360 178.999 176.600 0.065 0.000 1.000 535 E CA 1.148 57.593 56.400 0.076 0.000 0.804 535 E CB -0.051 29.687 29.700 0.063 0.000 0.740 535 E HN 0.313 nan 8.360 nan 0.000 0.454 536 L N 0.433 121.702 121.223 0.077 0.000 2.027 536 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 536 L C 2.250 179.175 176.870 0.091 0.000 1.074 536 L CA 2.030 56.912 54.840 0.070 0.000 0.745 536 L CB -0.736 41.364 42.059 0.068 0.000 0.898 536 L HN 0.307 nan 8.230 nan 0.000 0.433 537 H N -1.073 118.000 119.070 0.005 0.000 2.319 537 H HA -0.208 4.348 4.556 -0.000 0.000 0.299 537 H C 2.191 177.515 175.328 -0.008 0.000 1.092 537 H CA 2.022 58.060 56.048 -0.017 0.000 1.302 537 H CB 0.097 29.836 29.762 -0.039 0.000 1.373 537 H HN 0.367 nan 8.280 nan 0.000 0.497 538 L N 1.641 122.817 121.223 -0.079 0.000 2.079 538 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 538 L C 2.501 179.310 176.870 -0.101 0.000 1.081 538 L CA 2.174 56.930 54.840 -0.140 0.000 0.752 538 L CB -0.754 41.284 42.059 -0.035 0.000 0.896 538 L HN 0.414 nan 8.230 nan 0.000 0.433 539 E N -0.529 119.644 120.200 -0.044 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 1.478 57.861 56.400 -0.028 0.000 0.801 539 E CB -0.030 29.668 29.700 -0.005 0.000 0.750 539 E HN 0.491 nan 8.360 nan 0.000 0.452 540 I N 1.402 121.950 120.570 -0.036 0.000 2.127 540 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 540 I C 2.685 178.777 176.117 -0.041 0.000 1.075 540 I CA 0.828 62.112 61.300 -0.026 0.000 1.334 540 I CB -1.726 36.277 38.000 0.004 0.000 1.040 540 I HN 0.375 nan 8.210 nan 0.000 0.405 541 C N 0.883 120.116 119.300 -0.111 0.000 2.398 541 C HA -0.181 4.278 4.460 -0.000 0.000 0.276 541 C C 3.004 177.976 174.990 -0.030 0.000 1.222 541 C CA 0.699 59.655 59.018 -0.103 0.000 1.746 541 C CB -1.225 26.367 27.740 -0.247 0.000 2.039 541 C HN 0.468 nan 8.230 nan 0.000 0.470 542 L N 0.008 121.204 121.223 -0.045 0.000 2.093 542 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 542 L C 2.784 179.658 176.870 0.008 0.000 1.085 542 L CA 1.480 56.309 54.840 -0.019 0.000 0.755 542 L CB -0.780 41.262 42.059 -0.029 0.000 0.904 542 L HN 0.499 nan 8.230 nan 0.000 0.435 543 Q N -0.096 119.706 119.800 0.002 0.000 2.020 543 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 543 Q C 1.867 177.888 176.000 0.035 0.000 0.982 543 Q CA 1.667 57.477 55.803 0.011 0.000 0.838 543 Q CB -0.139 28.589 28.738 -0.016 0.000 0.899 543 Q HN 0.448 nan 8.270 nan 0.000 0.423 544 D N 0.651 121.071 120.400 0.033 0.000 2.144 544 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 544 D C 1.904 178.269 176.300 0.108 0.000 0.984 544 D CA 0.725 54.743 54.000 0.029 0.000 0.834 544 D CB -0.185 40.656 40.800 0.068 0.000 0.955 544 D HN 0.096 nan 8.370 nan 0.000 0.465 545 L N 1.284 122.631 121.223 0.206 0.000 1.994 545 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 545 L C 2.212 179.140 176.870 0.096 0.000 1.071 545 L CA 1.955 56.916 54.840 0.202 0.000 0.745 545 L CB -0.638 41.468 42.059 0.078 0.000 0.892 545 L HN -0.044 nan 8.230 nan 0.000 0.431 546 E N -1.706 118.528 120.200 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 0.694 nan 8.360 nan 0.000 0.449 547 H N -0.060 118.987 119.070 -0.039 0.000 2.333 547 H HA -0.071 4.485 4.556 -0.000 0.000 0.302 547 H C 1.091 176.371 175.328 -0.079 0.000 1.075 547 H CA 1.830 57.845 56.048 -0.056 0.000 1.348 547 H CB 0.386 30.111 29.762 -0.061 0.000 1.393 547 H HN 0.260 nan 8.280 nan 0.000 0.509 548 D N -0.683 119.719 120.400 0.003 0.000 2.844 548 D HA -0.031 4.609 4.640 -0.000 0.000 0.271 548 D C 2.214 178.452 176.300 -0.104 0.000 1.386 548 D CA 0.022 53.956 54.000 -0.109 0.000 1.053 548 D CB -0.697 39.960 40.800 -0.238 0.000 1.107 548 D HN 0.360 nan 8.370 nan 0.000 0.395 549 H N 1.276 120.356 119.070 0.016 0.000 2.304 549 H HA -0.177 4.379 4.556 -0.000 0.000 0.287 549 H C 1.754 177.069 175.328 -0.021 0.000 1.112 549 H CA 2.147 58.198 56.048 0.004 0.000 1.200 549 H CB -0.301 29.463 29.762 0.003 0.000 1.349 549 H HN 0.225 nan 8.280 nan 0.000 0.477 550 A N -0.667 122.206 122.820 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 -0.025 0.000 1.262 550 A CA 0.949 52.995 52.037 0.015 0.000 0.800 550 A CB -0.096 18.900 19.000 -0.006 0.000 0.909 550 A HN 0.530 nan 8.150 nan 0.000 0.472 551 G N -0.468 108.304 108.800 -0.046 0.000 2.338 551 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.296 551 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.296 551 G C -0.184 174.665 174.900 -0.085 0.000 1.040 551 G CA 0.518 45.556 45.100 -0.103 0.000 1.004 551 G HN 1.196 nan 8.290 nan 0.000 0.509 552 V N -0.599 119.278 119.914 -0.061 0.000 3.048 552 V HA 0.480 4.600 4.120 -0.000 0.000 0.303 552 V C -2.330 173.741 176.094 -0.037 0.000 1.214 552 V CA -1.710 60.560 62.300 -0.049 0.000 0.984 552 V CB 2.605 34.403 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 0.532 63.620 63.100 -0.021 0.000 0.761 553 P CB 0.232 31.921 31.700 -0.018 0.000 0.785 554 L N 3.177 124.391 121.223 -0.016 0.000 2.333 554 L HA 0.555 4.894 4.340 -0.000 0.000 0.269 554 L C 0.510 177.372 176.870 -0.014 0.000 1.010 554 L CA -0.937 53.893 54.840 -0.017 0.000 0.818 554 L CB 2.014 44.062 42.059 -0.019 0.000 1.306 554 L HN 0.225 nan 8.230 nan 0.000 0.430 555 K N 2.547 122.939 120.400 -0.013 0.000 2.323 555 K HA 0.541 4.861 4.320 -0.000 0.000 0.259 555 K C -1.297 175.292 176.600 -0.018 0.000 0.947 555 K CA -0.609 55.670 56.287 -0.013 0.000 0.819 555 K CB 1.285 33.780 32.500 -0.009 0.000 1.109 555 K HN 0.357 nan 8.250 nan 0.000 0.429 556 I N 3.144 123.700 120.570 -0.023 0.000 2.460 556 I HA 0.382 4.552 4.170 -0.000 0.000 0.298 556 I C -0.063 176.029 176.117 -0.041 0.000 0.989 556 I CA -0.310 60.971 61.300 -0.032 0.000 1.173 556 I CB 1.185 39.166 38.000 -0.032 0.000 1.338 556 I HN 0.864 nan 8.210 nan 0.000 0.456 557 S N 5.308 120.975 115.700 -0.055 0.000 2.611 557 S HA 0.685 5.154 4.470 -0.000 0.000 0.268 557 S C -3.211 171.324 174.600 -0.109 0.000 1.156 557 S CA -1.206 56.951 58.200 -0.072 0.000 0.817 557 S CB 1.740 64.909 63.200 -0.053 0.000 1.122 557 S HN 0.266 nan 8.310 nan 0.000 0.466 558 P HA 0.395 nan 4.420 nan 0.000 0.272 558 P C -2.527 174.680 177.300 -0.155 0.000 1.230 558 P CA -0.996 61.949 63.100 -0.258 0.000 0.788 558 P CB -0.227 31.270 31.700 -0.338 0.000 0.949 559 P HA 0.134 nan 4.420 nan 0.000 0.290 559 P C -0.713 176.618 177.300 0.052 0.000 1.276 559 P CA -0.184 62.903 63.100 -0.022 0.000 0.808 559 P CB 0.691 32.413 31.700 0.038 0.000 0.966 560 V N 3.749 123.697 119.914 0.057 0.000 2.655 560 V HA 0.011 4.131 4.120 -0.000 0.000 0.300 560 V C 0.736 176.903 176.094 0.120 0.000 1.044 560 V CA 0.021 62.385 62.300 0.106 0.000 1.095 560 V CB 1.114 32.997 31.823 0.100 0.000 0.952 560 V HN 0.278 nan 8.190 nan 0.000 0.485 561 V N 4.934 124.943 119.914 0.160 0.000 2.509 561 V HA 0.609 4.729 4.120 -0.000 0.000 0.284 561 V C 0.584 176.661 176.094 -0.028 0.000 1.047 561 V CA -0.472 61.843 62.300 0.025 0.000 0.952 561 V CB 1.434 33.242 31.823 -0.024 0.000 0.988 561 V HN 1.008 nan 8.190 nan 0.000 0.469 562 A N 4.684 127.438 122.820 -0.110 0.000 2.327 562 A HA 0.773 5.093 4.320 -0.000 0.000 0.283 562 A C -1.052 176.496 177.584 -0.060 0.000 1.127 562 A CA -0.174 51.876 52.037 0.021 0.000 0.810 562 A CB 0.318 19.371 19.000 0.088 0.000 1.066 562 A HN 0.734 nan 8.150 nan 0.000 0.492 563 Y N 0.213 120.679 120.300 0.277 0.000 2.633 563 Y HA 0.740 5.290 4.550 -0.000 0.000 0.339 563 Y C 0.363 176.247 175.900 -0.026 0.000 1.045 563 Y CA -0.797 57.489 58.100 0.311 0.000 1.098 563 Y CB 1.633 40.337 38.460 0.408 0.000 1.296 563 Y HN 0.644 nan 8.280 nan 0.000 0.494 564 R N 0.657 121.176 120.500 0.031 0.000 2.740 564 R HA 0.423 4.763 4.340 -0.000 0.000 0.282 564 R C -1.460 174.849 176.300 0.014 0.000 0.969 564 R CA -1.168 54.791 56.100 -0.235 0.000 0.918 564 R CB 1.417 31.320 30.300 -0.662 0.000 1.175 564 R HN 0.657 nan 8.270 nan 0.000 0.464 565 E N 0.656 120.854 120.200 -0.003 0.000 2.129 565 E HA 0.353 4.703 4.350 -0.000 0.000 0.268 565 E C -0.632 176.152 176.600 0.306 0.000 0.900 565 E CA -0.338 56.166 56.400 0.173 0.000 0.755 565 E CB 2.103 31.818 29.700 0.024 0.000 1.117 565 E HN 0.398 nan 8.360 nan 0.000 0.410 566 T N 0.960 115.717 114.554 0.339 0.000 2.742 566 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 566 T C -1.243 173.421 174.700 -0.061 0.000 1.025 566 T CA -0.652 61.583 62.100 0.225 0.000 1.020 566 T CB 1.513 70.437 68.868 0.094 0.000 1.317 566 T HN 0.243 nan 8.240 nan 0.000 0.538 567 V N 0.758 120.576 119.914 -0.160 0.000 2.680 567 V HA 0.736 4.856 4.120 -0.000 0.000 0.309 567 V C 0.531 176.541 176.094 -0.139 0.000 1.052 567 V CA -0.612 61.505 62.300 -0.306 0.000 0.908 567 V CB 1.629 33.234 31.823 -0.363 0.000 1.001 567 V HN 0.928 nan 8.190 nan 0.000 0.431 568 E N 2.438 122.559 120.200 -0.132 0.000 2.340 568 E HA 0.215 4.565 4.350 -0.000 0.000 0.194 568 E C 0.763 177.319 176.600 -0.074 0.000 0.996 568 E CA 0.978 57.334 56.400 -0.074 0.000 0.869 568 E CB 0.405 30.072 29.700 -0.057 0.000 0.835 568 E HN 1.119 nan 8.360 nan 0.000 0.493 569 S N -1.787 113.853 115.700 -0.101 0.000 2.752 569 S HA 0.325 4.795 4.470 -0.000 0.000 0.284 569 S C -0.534 174.000 174.600 -0.109 0.000 1.189 569 S CA -1.091 57.053 58.200 -0.092 0.000 0.835 569 S CB 1.088 64.238 63.200 -0.084 0.000 1.192 569 S HN 0.097 nan 8.310 nan 0.000 0.506 570 E N 0.653 120.792 120.200 -0.102 0.000 2.392 570 E HA 0.370 4.719 4.350 -0.000 0.000 0.259 570 E C -0.588 175.939 176.600 -0.122 0.000 1.108 570 E CA -0.439 55.897 56.400 -0.106 0.000 0.916 570 E CB 0.623 30.264 29.700 -0.097 0.000 0.989 570 E HN 0.586 nan 8.360 nan 0.000 0.432 571 S N 1.611 117.238 115.700 -0.121 0.000 2.546 571 S HA -0.071 4.399 4.470 -0.000 0.000 0.290 571 S C 1.174 175.674 174.600 -0.166 0.000 1.290 571 S CA 0.244 58.353 58.200 -0.152 0.000 1.069 571 S CB 0.768 63.896 63.200 -0.120 0.000 0.846 571 S HN 0.625 nan 8.310 nan 0.000 0.495 572 S N 1.881 117.450 115.700 -0.218 0.000 2.500 572 S HA -0.107 4.363 4.470 -0.000 0.000 0.239 572 S C 0.440 174.922 174.600 -0.197 0.000 0.989 572 S CA 0.482 58.561 58.200 -0.201 0.000 0.951 572 S CB -0.533 62.531 63.200 -0.227 0.000 0.759 572 S HN 0.879 nan 8.310 nan 0.000 0.523 573 Q N -1.466 118.201 119.800 -0.221 0.000 2.594 573 Q HA 0.348 4.688 4.340 -0.000 0.000 0.278 573 Q C -1.526 174.416 176.000 -0.097 0.000 0.961 573 Q CA -0.931 54.776 55.803 -0.159 0.000 0.844 573 Q CB 0.216 28.830 28.738 -0.207 0.000 1.475 573 Q HN -0.031 nan 8.270 nan 0.000 0.389 574 T N 1.685 116.242 114.554 0.006 0.000 2.891 574 T HA 0.270 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 0.176 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 3.576 126.494 122.820 0.164 0.000 2.328 575 A HA 0.643 4.963 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 0.238 0.000 0.818 575 A CB 0.318 19.409 19.000 0.152 0.000 1.087 575 A HN 0.691 nan 8.150 nan 0.000 0.504 576 L N 2.268 123.439 121.223 -0.087 0.000 2.381 576 L HA 0.769 5.109 4.340 -0.000 0.000 0.274 576 L C -0.538 176.026 176.870 -0.511 0.000 0.988 576 L CA 0.277 54.815 54.840 -0.503 0.000 0.824 576 L CB 2.032 43.684 42.059 -0.678 0.000 1.263 576 L HN 0.566 nan 8.230 nan 0.000 0.410 577 S N 3.681 119.164 115.700 -0.362 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 -0.218 0.000 0.887 577 S CB 2.033 65.185 63.200 -0.080 0.000 1.094 577 S HN 0.698 nan 8.310 nan 0.000 0.474 578 K N -0.293 120.026 120.400 -0.135 0.000 2.306 578 K HA 0.759 5.079 4.320 -0.000 0.000 0.236 578 K C -0.230 176.344 176.600 -0.043 0.000 1.013 578 K CA -0.711 55.520 56.287 -0.092 0.000 0.857 578 K CB 1.295 33.740 32.500 -0.092 0.000 1.214 578 K HN 0.583 nan 8.250 nan 0.000 0.449 579 S N -0.027 115.666 115.700 -0.013 0.000 2.645 579 S HA 0.202 4.672 4.470 -0.000 0.000 0.266 579 S C -1.942 172.666 174.600 0.014 0.000 1.258 579 S CA -1.161 57.046 58.200 0.011 0.000 0.990 579 S CB 1.055 64.276 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 1.494 64.605 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 -1.006 117.734 118.700 0.065 0.000 2.205 581 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 581 N C 0.516 176.110 175.510 0.139 0.000 1.015 581 N CA 0.940 54.084 53.050 0.157 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 -2.578 117.843 120.400 0.035 0.000 3.509 582 K HA -0.231 4.088 4.320 -0.000 0.000 0.302 582 K C -0.111 176.397 176.600 -0.154 0.000 1.355 582 K CA 0.927 57.167 56.287 -0.079 0.000 0.953 582 K CB -1.486 30.934 32.500 -0.133 0.000 1.321 582 K HN 0.462 nan 8.250 nan 0.000 0.461 583 H N 0.048 119.112 119.070 -0.009 0.000 2.547 583 H HA 0.179 4.734 4.556 -0.000 0.000 0.272 583 H C 0.533 175.895 175.328 0.056 0.000 0.971 583 H CA 0.421 56.484 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 1.299 120.082 118.700 0.138 0.000 2.361 584 N HA 0.381 5.120 4.740 -0.000 0.000 0.302 584 N C -0.620 174.909 175.510 0.031 0.000 1.074 584 N CA -0.431 52.680 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 1.189 121.703 120.500 0.024 0.000 2.673 585 R HA 0.581 4.921 4.340 -0.000 0.000 0.281 585 R C -0.731 175.523 176.300 -0.077 0.000 0.991 585 R CA -0.653 55.396 56.100 -0.086 0.000 0.896 585 R CB 2.182 32.386 30.300 -0.161 0.000 1.201 585 R HN 0.475 nan 8.270 nan 0.000 0.457 586 I N 2.595 123.062 120.570 -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 60.381 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 6.990 127.277 120.300 -0.021 0.000 2.328 587 Y HA 0.610 5.160 4.550 -0.000 0.000 0.337 587 Y C -0.294 175.589 175.900 -0.028 0.000 0.966 587 Y CA -0.875 57.214 58.100 -0.018 0.000 1.136 587 Y CB 1.487 39.937 38.460 -0.017 0.000 1.170 587 Y HN 0.353 nan 8.280 nan 0.000 0.470 588 L N 0.229 121.513 121.223 0.102 0.000 2.600 588 L HA 0.804 5.144 4.340 -0.000 0.000 0.257 588 L C -1.596 175.294 176.870 0.033 0.000 1.048 588 L CA -1.488 53.377 54.840 0.042 0.000 0.869 588 L CB 2.176 44.237 42.059 0.004 0.000 1.482 588 L HN 0.324 nan 8.230 nan 0.000 0.408 589 K N 0.281 120.679 120.400 -0.002 0.000 2.469 589 K HA 0.916 5.236 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 1.851 124.658 122.820 -0.022 0.000 2.355 590 A HA 0.646 4.965 4.320 -0.000 0.000 0.324 590 A C -1.104 176.449 177.584 -0.051 0.000 1.117 590 A CA -0.526 51.508 52.037 -0.005 0.000 0.785 590 A CB 0.939 19.964 19.000 0.042 0.000 1.254 590 A HN 0.836 nan 8.150 nan 0.000 0.453 591 E N 0.877 121.051 120.200 -0.043 0.000 2.412 591 E HA 0.601 4.951 4.350 -0.000 0.000 0.279 591 E C -3.159 173.417 176.600 -0.040 0.000 0.984 591 E CA -2.218 54.140 56.400 -0.069 0.000 0.788 591 E CB 1.684 31.324 29.700 -0.100 0.000 1.277 591 E HN 0.269 nan 8.360 nan 0.000 0.455 592 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 0.073 63.167 63.100 -0.009 0.000 0.771 592 P CB 0.470 32.158 31.700 -0.019 0.000 0.858 593 I N 1.939 122.550 120.570 0.069 0.000 2.392 593 I HA 0.183 4.353 4.170 -0.000 0.000 0.295 593 I C 0.902 177.089 176.117 0.118 0.000 0.985 593 I CA -0.670 60.708 61.300 0.130 0.000 1.221 593 I CB 0.901 39.004 38.000 0.172 0.000 1.366 593 I HN 0.288 nan 8.210 nan 0.000 0.467 594 D N 5.346 125.834 120.400 0.147 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 0.218 54.298 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 2.455 122.720 120.200 0.108 0.000 2.070 595 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 595 E C 1.502 178.173 176.600 0.117 0.000 1.004 595 E CA 0.952 57.415 56.400 0.104 0.000 0.805 595 E CB 0.096 29.847 29.700 0.085 0.000 0.744 595 E HN 0.577 nan 8.360 nan 0.000 0.451 596 E N 0.228 120.515 120.200 0.145 0.000 2.160 596 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 596 E C 2.124 178.817 176.600 0.155 0.000 0.991 596 E CA 0.682 57.200 56.400 0.196 0.000 0.810 596 E CB 0.110 29.979 29.700 0.281 0.000 0.742 596 E HN 0.097 nan 8.360 nan 0.000 0.466 597 V N 0.234 120.200 119.914 0.086 0.000 2.407 597 V HA -0.152 3.968 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 63.613 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 0.325 116.055 115.700 0.051 0.000 2.356 598 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 598 S C 1.917 176.564 174.600 0.078 0.000 1.032 598 S CA 1.372 59.617 58.200 0.075 0.000 1.005 598 S CB -0.374 62.883 63.200 0.095 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 1.743 56.641 54.840 0.096 0.000 0.749 599 L CB -1.443 40.679 42.059 0.105 0.000 0.893 599 L HN 0.310 nan 8.230 nan 0.000 0.432 600 A N -0.769 122.066 122.820 0.024 0.000 1.933 600 A HA -0.189 4.131 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 1.839 53.865 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 0.000 0.000 2.193 601 I HA -0.218 3.951 4.170 -0.000 0.000 0.240 601 I C 2.478 178.625 176.117 0.049 0.000 1.084 601 I CA 1.509 62.839 61.300 0.050 0.000 1.365 601 I CB -0.439 37.646 38.000 0.141 0.000 1.064 601 I HN 0.366 nan 8.210 nan 0.000 0.410 602 E N 0.798 121.042 120.200 0.073 0.000 2.118 602 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 602 E C 1.299 177.937 176.600 0.064 0.000 0.992 602 E CA 1.054 57.504 56.400 0.084 0.000 0.804 602 E CB -0.047 29.728 29.700 0.126 0.000 0.741 602 E HN 0.453 nan 8.360 nan 0.000 0.458 603 N N -1.004 117.729 118.700 0.056 0.000 2.270 603 N HA 0.047 4.787 4.740 -0.000 0.000 0.198 603 N C 0.669 176.196 175.510 0.028 0.000 1.117 603 N CA 0.818 53.896 53.050 0.047 0.000 0.845 603 N CB 1.659 40.180 38.487 0.057 0.000 0.980 603 N HN 0.260 nan 8.380 nan 0.000 0.486 604 G N 0.805 109.612 108.800 0.012 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 -0.001 0.000 0.990 604 G CA -0.082 45.016 45.100 -0.003 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 0.313 4.482 4.170 -0.000 0.000 0.248 605 I C 1.379 177.491 176.117 -0.008 0.000 1.109 605 I CA 0.910 62.223 61.300 0.022 0.000 1.425 605 I CB 0.068 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 2.167 122.713 120.570 -0.040 0.000 2.354 606 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 606 I C -0.724 175.359 176.117 -0.057 0.000 1.007 606 I CA -0.344 60.930 61.300 -0.044 0.000 1.167 606 I CB 0.355 38.303 38.000 -0.086 0.000 1.320 606 I HN 0.140 nan 8.210 nan 0.000 0.458 607 N N 7.595 126.231 118.700 -0.107 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 -0.449 0.000 1.103 607 N CA -1.567 51.330 53.050 -0.254 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 1.153 608 P CA 1.366 63.957 63.100 -0.847 0.000 0.858 608 P CB 0.394 31.693 31.700 -0.667 0.000 0.789 609 R N -1.113 119.278 120.500 -0.181 0.000 2.317 609 R HA 0.167 4.507 4.340 -0.000 0.000 0.208 609 R C 0.220 176.504 176.300 -0.027 0.000 0.914 609 R CA 0.070 56.127 56.100 -0.070 0.000 1.060 609 R CB -1.057 29.207 30.300 -0.060 0.000 1.015 609 R HN 0.310 nan 8.270 nan 0.000 0.498 610 D N 1.670 122.048 120.400 -0.037 0.000 2.362 610 D HA -0.073 4.567 4.640 -0.000 0.000 0.238 610 D C -0.070 176.261 176.300 0.050 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 -0.012 0.000 1.180 610 D HN 0.007 nan 8.370 nan 0.000 0.445 611 D N -0.046 120.379 120.400 0.040 0.000 2.434 611 D HA -0.084 4.556 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 0.014 40.813 40.800 -0.003 0.000 1.148 611 D HN 0.348 nan 8.370 nan 0.000 0.483 612 F N 3.709 123.679 119.950 0.033 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 1.115 59.143 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 1.109 120.796 120.400 -1.188 0.000 1.991 613 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 613 K C 2.421 178.809 176.600 -0.353 0.000 1.045 613 K CA 1.214 56.959 56.287 -0.905 0.000 0.937 613 K CB -0.613 31.408 32.500 -0.797 0.000 0.720 613 K HN 0.306 nan 8.250 nan 0.000 0.438 614 A N 1.651 124.329 122.820 -0.237 0.000 1.933 614 A HA -0.196 4.124 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 1.693 53.659 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 -0.069 0.000 2.081 615 R HA -0.096 4.243 4.340 -0.000 0.000 0.235 615 R C 2.247 178.523 176.300 -0.039 0.000 1.131 615 R CA 1.489 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 1.056 123.847 122.820 -0.048 0.000 1.972 616 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 616 A C 2.115 179.700 177.584 0.001 0.000 1.169 616 A CA 0.924 52.948 52.037 -0.020 0.000 0.635 616 A CB -0.404 18.602 19.000 0.010 0.000 0.810 616 A HN 0.234 nan 8.150 nan 0.000 0.446 617 R N -0.440 120.048 120.500 -0.021 0.000 2.096 617 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 617 R C 1.980 178.301 176.300 0.035 0.000 1.127 617 R CA 1.353 57.454 56.100 0.002 0.000 0.968 617 R CB -0.591 29.696 30.300 -0.022 0.000 0.861 617 R HN 0.641 nan 8.270 nan 0.000 0.440 618 I N 0.519 121.111 120.570 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 1.254 62.611 61.300 0.095 0.000 1.353 618 I CB -0.217 37.840 38.000 0.095 0.000 1.054 618 I HN 0.120 nan 8.210 nan 0.000 0.407 619 M N 0.180 119.832 119.600 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 1.968 57.294 55.300 0.042 0.000 1.102 619 M CB -0.501 31.886 32.600 -0.356 0.000 1.369 619 M HN 0.339 nan 8.290 nan 0.000 0.408 620 A N 0.365 123.293 122.820 0.181 0.000 1.850 620 A HA -0.111 4.209 4.320 -0.000 0.000 0.212 620 A C 1.711 179.383 177.584 0.147 0.000 1.208 620 A CA 1.475 53.635 52.037 0.205 0.000 0.609 620 A CB -0.527 18.562 19.000 0.148 0.000 0.860 620 A HN 0.342 nan 8.150 nan 0.000 0.448 621 D N 0.248 120.706 120.400 0.096 0.000 2.183 621 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 621 D C 0.905 177.218 176.300 0.022 0.000 0.969 621 D CA 1.217 55.248 54.000 0.052 0.000 0.842 621 D CB -0.210 40.608 40.800 0.030 0.000 0.957 621 D HN 0.450 nan 8.370 nan 0.000 0.484 622 D N -1.188 119.225 120.400 0.021 0.000 2.388 622 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 622 D C 0.765 176.877 176.300 -0.312 0.000 1.035 622 D CA 0.276 54.186 54.000 -0.151 0.000 0.875 622 D CB 0.365 41.046 40.800 -0.198 0.000 0.984 622 D HN 0.285 nan 8.370 nan 0.000 0.508 623 Y N -0.088 120.268 120.300 0.093 0.000 2.557 623 Y HA 0.312 4.862 4.550 -0.000 0.000 0.247 623 Y C 1.563 177.601 175.900 0.230 0.000 1.164 623 Y CA -0.041 58.148 58.100 0.150 0.000 1.218 623 Y CB 1.233 39.778 38.460 0.142 0.000 1.210 623 Y HN -0.025 nan 8.280 nan 0.000 0.529 624 G N -0.703 108.257 108.800 0.267 0.000 2.155 624 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 624 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 624 G C -0.003 175.045 174.900 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 0.544 121.894 121.300 0.083 0.000 2.161 625 W HA 0.521 5.180 4.660 -0.000 0.000 0.344 625 W C 0.679 177.220 176.519 0.036 0.000 1.262 625 W CA 0.058 57.435 57.345 0.054 0.000 1.270 625 W CB 0.453 29.947 29.460 0.057 0.000 1.126 625 W HN 0.229 nan 8.180 nan 0.000 0.598 626 D N 0.851 121.376 120.400 0.209 0.000 2.317 626 D HA 0.045 4.685 4.640 -0.000 0.000 0.252 626 D C 0.859 177.284 176.300 0.208 0.000 1.174 626 D CA -0.085 53.995 54.000 0.134 0.000 0.866 626 D CB 1.467 42.293 40.800 0.044 0.000 1.127 626 D HN 0.188 nan 8.370 nan 0.000 0.467 627 V N 3.605 123.612 119.914 0.156 0.000 2.568 627 V HA -0.230 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 -0.533 114.095 114.554 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 1.459 63.628 62.100 0.116 0.000 1.140 628 T CB -0.337 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 1.439 121.931 120.400 0.153 0.000 2.104 629 D HA -0.043 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 1.344 55.459 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 0.983 124.017 122.820 0.357 0.000 1.877 630 A HA -0.181 4.138 4.320 -0.000 0.000 0.216 630 A C 2.141 179.825 177.584 0.166 0.000 1.186 630 A CA 1.350 53.499 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 -0.306 120.325 120.500 0.219 0.000 2.193 631 R HA -0.058 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 1.313 57.635 56.100 0.371 0.000 0.988 631 R CB -0.176 30.350 30.300 0.377 0.000 0.871 631 R HN 0.406 nan 8.270 nan 0.000 0.458 632 K N 1.154 121.678 120.400 0.207 0.000 2.493 632 K HA 0.093 4.413 4.320 -0.000 0.000 0.207 632 K C -0.042 176.646 176.600 0.145 0.000 1.033 632 K CA -0.333 56.051 56.287 0.161 0.000 1.161 632 K CB 0.205 32.754 32.500 0.080 0.000 0.873 632 K HN 0.103 nan 8.250 nan 0.000 0.491 633 I N -1.868 118.789 120.570 0.145 0.000 2.618 633 I HA -0.005 4.165 4.170 -0.000 0.000 0.284 633 I C 0.531 176.795 176.117 0.244 0.000 1.146 633 I CA 0.023 61.370 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 6.196 127.453 121.300 -0.071 0.000 2.640 634 W HA 0.268 4.928 4.660 -0.000 0.000 0.268 634 W C 0.595 177.120 176.519 0.009 0.000 1.263 634 W CA 0.412 57.730 57.345 -0.044 0.000 1.344 634 W CB -0.248 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 -3.713 115.717 119.300 0.217 0.000 3.231 635 C HA 0.592 5.052 4.460 -0.000 0.000 0.343 635 C C -0.751 174.402 174.990 0.272 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 -0.078 nan 8.230 nan 0.000 0.460 636 F N 0.686 120.753 119.950 0.196 0.000 2.523 636 F HA 0.835 5.361 4.527 -0.000 0.000 0.329 636 F C 0.968 176.926 175.800 0.263 0.000 1.061 636 F CA 0.441 58.574 58.000 0.222 0.000 0.967 636 F CB 2.588 41.657 39.000 0.115 0.000 1.218 636 F HN 1.174 nan 8.300 nan 0.000 0.480 637 G N 1.281 110.316 108.800 0.392 0.000 2.698 637 G HA2 0.603 4.563 3.960 -0.000 0.000 0.293 637 G HA3 0.603 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 -1.431 43.751 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 -0.596 176.724 177.300 0.032 0.000 1.304 638 P CA -0.016 63.068 63.100 -0.026 0.000 0.767 638 P CB 0.907 32.575 31.700 -0.054 0.000 1.247 639 D N -2.031 118.385 120.400 0.026 0.000 2.955 639 D HA -0.215 4.425 4.640 -0.000 0.000 0.226 639 D C 1.102 177.431 176.300 0.048 0.000 1.178 639 D CA 1.659 55.676 54.000 0.027 0.000 0.808 639 D CB -1.957 38.851 40.800 0.014 0.000 1.099 639 D HN 0.853 nan 8.370 nan 0.000 0.421 640 G N 1.045 109.901 108.800 0.093 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 0.119 0.000 0.644 640 G HN 0.717 nan 8.290 nan 0.000 0.537 641 N N -0.337 118.414 118.700 0.084 0.000 2.116 641 N HA 0.381 5.120 4.740 -0.000 0.000 0.230 641 N C 0.935 176.513 175.510 0.113 0.000 1.326 641 N CA 0.850 53.907 53.050 0.012 0.000 0.867 641 N CB -0.215 38.234 38.487 -0.063 0.000 1.174 641 N HN 0.731 nan 8.380 nan 0.000 0.506 642 G N 1.023 109.923 108.800 0.167 0.000 2.634 642 G HA2 0.312 4.272 3.960 -0.000 0.000 0.255 642 G HA3 0.312 4.272 3.960 -0.000 0.000 0.255 642 G C -2.088 172.948 174.900 0.225 0.000 1.205 642 G CA -1.139 44.048 45.100 0.145 0.000 0.884 642 G HN 0.089 nan 8.290 nan 0.000 0.549 643 P HA 0.140 nan 4.420 nan 0.000 0.220 643 P C -0.874 176.498 177.300 0.121 0.000 1.778 643 P CA -0.010 63.177 63.100 0.145 0.000 0.912 643 P CB -0.198 31.561 31.700 0.099 0.000 1.861 644 N N 0.972 119.767 118.700 0.159 0.000 2.331 644 N HA 0.477 5.217 4.740 -0.000 0.000 0.280 644 N C -0.835 174.861 175.510 0.310 0.000 1.155 644 N CA -0.464 52.712 53.050 0.210 0.000 0.822 644 N CB 2.292 40.844 38.487 0.109 0.000 1.619 644 N HN 0.036 nan 8.380 nan 0.000 0.476 645 L N 0.495 121.895 121.223 0.296 0.000 2.393 645 L HA 0.639 4.979 4.340 -0.000 0.000 0.260 645 L C -0.747 175.983 176.870 -0.234 0.000 1.002 645 L CA -1.053 53.796 54.840 0.014 0.000 0.818 645 L CB 2.542 44.496 42.059 -0.176 0.000 1.369 645 L HN 0.109 nan 8.230 nan 0.000 0.412 646 V N 2.768 122.383 119.914 -0.498 0.000 2.409 646 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 646 V C -0.587 175.334 176.094 -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 3.843 124.259 120.570 -0.256 0.000 2.474 647 I HA 0.411 4.581 4.170 -0.000 0.000 0.294 647 I C -0.201 175.678 176.117 -0.396 0.000 1.005 647 I CA -0.549 60.626 61.300 -0.209 0.000 1.113 647 I CB 1.836 39.814 38.000 -0.036 0.000 1.289 647 I HN 0.619 nan 8.210 nan 0.000 0.436 648 D N 5.148 125.225 120.400 -0.538 0.000 2.313 648 D HA 0.248 4.888 4.640 -0.000 0.000 0.239 648 D C -0.319 175.796 176.300 -0.308 0.000 1.142 648 D CA 0.057 53.664 54.000 -0.656 0.000 0.847 648 D CB 0.802 41.016 40.800 -0.977 0.000 1.082 648 D HN 0.488 nan 8.370 nan 0.000 0.480 649 Q N 2.403 122.053 119.800 -0.251 0.000 2.141 649 Q HA 0.152 4.492 4.340 -0.000 0.000 0.248 649 Q C -0.088 175.841 176.000 -0.119 0.000 0.834 649 Q CA -0.365 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 -2.947 111.530 114.554 -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 -0.533 61.518 62.100 -0.081 0.000 1.067 650 T CB 2.070 70.898 68.868 -0.066 0.000 0.996 650 T HN 0.027 nan 8.240 nan 0.000 0.513 651 K N 0.969 121.346 120.400 -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 0.314 56.585 56.287 -0.027 0.000 0.953 651 K CB 0.439 32.919 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 1.583 121.498 119.914 0.001 0.000 2.385 653 V HA 0.060 4.179 4.120 -0.000 0.000 0.269 653 V C 1.306 177.393 176.094 -0.013 0.000 1.043 653 V CA 0.027 62.335 62.300 0.015 0.000 0.906 653 V CB 0.835 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 3.275 123.002 119.800 -0.120 0.000 2.002 654 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 654 Q C 0.232 176.058 176.000 -0.290 0.000 0.988 654 Q CA 1.981 57.588 55.803 -0.327 0.000 0.843 654 Q CB -0.034 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 0.055 120.422 120.300 0.113 0.000 2.867 655 Y HA 0.092 4.642 4.550 -0.000 0.000 0.351 655 Y C 0.911 176.821 175.900 0.018 0.000 1.046 655 Y CA -0.427 57.705 58.100 0.054 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 0.928 122.299 121.223 0.245 0.000 1.976 656 L HA -0.226 4.114 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 2.026 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 -0.637 118.488 119.070 0.092 0.000 2.431 657 H HA -0.198 4.358 4.556 -0.000 0.000 0.297 657 H C 1.568 176.883 175.328 -0.023 0.000 1.115 657 H CA 1.927 57.970 56.048 -0.008 0.000 1.277 657 H CB -0.823 28.936 29.762 -0.005 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 -0.521 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 -0.135 0.000 1.010 658 E CA 0.902 57.101 56.400 -0.334 0.000 0.856 658 E CB 0.112 29.599 29.700 -0.356 0.000 0.795 658 E HN 0.760 nan 8.360 nan 0.000 0.504 659 I N -2.222 118.313 120.570 -0.059 0.000 3.968 659 I HA 0.147 4.317 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 -0.124 61.184 61.300 0.014 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 1.929 122.248 120.400 -0.135 0.000 2.034 660 K HA -0.250 4.070 4.320 -0.000 0.000 0.214 660 K C 1.507 177.981 176.600 -0.209 0.000 1.051 660 K CA 2.585 58.621 56.287 -0.418 0.000 0.931 660 K CB -0.121 31.904 32.500 -0.793 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 2.017 178.320 176.300 0.004 0.000 0.992 661 D CA 1.165 55.124 54.000 -0.068 0.000 0.833 661 D CB -0.221 40.544 40.800 -0.059 0.000 0.954 661 D HN 0.163 nan 8.370 nan 0.000 0.455 662 S N -0.125 115.588 115.700 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 0.508 58.747 58.200 0.066 0.000 0.988 662 S CB -0.133 63.103 63.200 0.059 0.000 0.838 662 S HN 0.088 nan 8.310 nan 0.000 0.462 663 V N 1.488 121.487 119.914 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 0.396 120.424 119.914 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 0.222 0.000 1.053 664 V CA 2.192 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 -0.093 122.822 122.820 0.158 0.000 1.908 665 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 665 A C 2.401 180.122 177.584 0.227 0.000 1.181 665 A CA 2.268 54.396 52.037 0.152 0.000 0.627 665 A CB -0.809 18.253 19.000 0.103 0.000 0.818 665 A HN 0.608 nan 8.150 nan 0.000 0.445 666 A N -1.651 121.311 122.820 0.237 0.000 1.969 666 A HA 0.004 4.324 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 1.524 53.704 52.037 0.239 0.000 0.635 666 A CB -0.622 18.460 19.000 0.138 0.000 0.810 666 A HN 0.579 nan 8.150 nan 0.000 0.445 667 F N 0.645 120.642 119.950 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 1.807 59.839 58.000 0.053 0.000 1.275 667 F CB -0.183 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 -0.804 119.112 119.800 0.193 0.000 2.135 668 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 668 Q C 2.091 178.152 176.000 0.102 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 0.110 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 -0.061 0.000 2.407 669 W HA 0.054 4.714 4.660 -0.001 0.000 0.305 669 W C 2.213 178.668 176.519 -0.107 0.000 1.196 669 W CA 1.465 58.770 57.345 -0.067 0.000 1.311 669 W CB -0.719 28.716 29.460 -0.042 0.000 1.135 669 W HN 0.112 nan 8.180 nan 0.000 0.514 670 A N 0.076 122.862 122.820 -0.055 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 -0.258 0.000 0.623 670 A CB -1.456 17.287 19.000 -0.429 0.000 0.818 670 A HN 0.349 nan 8.150 nan 0.000 0.443 671 T N -2.687 111.659 114.554 -0.346 0.000 2.995 671 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 671 T C 1.715 176.300 174.700 -0.192 0.000 1.091 671 T CA 1.568 63.449 62.100 -0.365 0.000 1.128 671 T CB -0.058 68.452 68.868 -0.597 0.000 0.891 671 T HN 0.341 nan 8.240 nan 0.000 0.492 672 K N 2.083 122.426 120.400 -0.095 0.000 2.116 672 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 672 K C 1.124 177.703 176.600 -0.036 0.000 1.052 672 K CA 0.855 57.118 56.287 -0.040 0.000 0.952 672 K CB 0.080 32.595 32.500 0.024 0.000 0.729 672 K HN 0.569 nan 8.250 nan 0.000 0.446 673 E N 0.358 120.566 120.200 0.013 0.000 2.489 673 E HA 0.265 4.615 4.350 -0.000 0.000 0.232 673 E C -0.598 175.949 176.600 -0.087 0.000 0.990 673 E CA -0.632 55.757 56.400 -0.019 0.000 0.768 673 E CB 0.423 30.180 29.700 0.095 0.000 1.270 673 E HN 0.362 nan 8.360 nan 0.000 0.423 674 G N 3.550 112.217 108.800 -0.222 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 -1.362 173.238 174.900 -0.500 0.000 1.248 674 G CA -0.826 44.042 45.100 -0.386 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 0.386 63.068 63.100 -0.697 0.000 0.773 675 P CB 0.360 31.508 31.700 -0.919 0.000 0.878 676 I N -0.188 120.333 120.570 -0.082 0.000 2.163 676 I HA -0.141 4.029 4.170 -0.000 0.000 0.240 676 I C 1.687 177.991 176.117 0.311 0.000 1.081 676 I CA 1.843 63.250 61.300 0.179 0.000 1.353 676 I CB -0.309 37.897 38.000 0.344 0.000 1.054 676 I HN -0.042 nan 8.210 nan 0.000 0.407 677 F N -2.038 117.870 119.950 -0.070 0.000 2.939 677 F HA 0.519 5.045 4.527 -0.000 0.000 0.327 677 F C 0.651 176.427 175.800 -0.041 0.000 1.276 677 F CA -0.099 57.882 58.000 -0.031 0.000 0.973 677 F CB -0.201 38.810 39.000 0.018 0.000 1.460 677 F HN 0.016 nan 8.300 nan 0.000 0.499 678 G N 0.253 108.908 108.800 -0.241 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 -0.283 0.000 0.650 678 G HN 0.413 nan 8.290 nan 0.000 0.529 679 E N 0.774 120.628 120.200 -0.576 0.000 2.345 679 E HA 0.374 4.724 4.350 -0.000 0.000 0.259 679 E C 0.705 177.137 176.600 -0.280 0.000 1.117 679 E CA -0.430 55.702 56.400 -0.447 0.000 0.913 679 E CB 0.619 29.986 29.700 -0.555 0.000 1.057 679 E HN 0.593 nan 8.360 nan 0.000 0.432 680 E N 0.853 120.927 120.200 -0.209 0.000 2.404 680 E HA 0.076 4.426 4.350 -0.000 0.000 0.261 680 E C 0.123 176.606 176.600 -0.194 0.000 1.074 680 E CA 0.081 56.372 56.400 -0.181 0.000 0.917 680 E CB 0.649 30.259 29.700 -0.149 0.000 0.965 680 E HN 0.235 nan 8.360 nan 0.000 0.433 681 M N 1.699 121.192 119.600 -0.179 0.000 2.227 681 M HA 0.335 4.815 4.480 -0.000 0.000 0.316 681 M C 0.155 176.384 176.300 -0.118 0.000 1.144 681 M CA 0.179 55.405 55.300 -0.125 0.000 1.121 681 M CB 0.949 33.478 32.600 -0.119 0.000 1.440 681 M HN 0.381 nan 8.290 nan 0.000 0.473 682 R N -0.634 119.830 120.500 -0.059 0.000 2.561 682 R HA 0.260 4.600 4.340 -0.000 0.000 0.266 682 R C -0.872 175.435 176.300 0.012 0.000 1.091 682 R CA -0.126 55.926 56.100 -0.079 0.000 0.927 682 R CB 1.372 31.524 30.300 -0.247 0.000 1.240 682 R HN 0.786 nan 8.270 nan 0.000 0.449 683 S N 0.479 116.205 115.700 0.043 0.000 3.635 683 S HA -0.125 4.344 4.470 -0.000 0.000 0.328 683 S C -0.501 174.158 174.600 0.100 0.000 1.135 683 S CA 0.949 59.195 58.200 0.077 0.000 0.942 683 S CB -1.191 62.047 63.200 0.063 0.000 0.930 683 S HN 0.371 nan 8.310 nan 0.000 0.512 684 V N 1.565 121.559 119.914 0.133 0.000 2.370 684 V HA 0.544 4.664 4.120 -0.000 0.000 0.283 684 V C 0.426 176.645 176.094 0.208 0.000 1.023 684 V CA -0.586 61.818 62.300 0.174 0.000 0.857 684 V CB 1.685 33.659 31.823 0.252 0.000 0.985 684 V HN 0.435 nan 8.190 nan 0.000 0.443 685 R N 3.790 124.380 120.500 0.149 0.000 2.514 685 R HA 0.779 5.118 4.340 -0.000 0.000 0.301 685 R C -1.785 174.562 176.300 0.078 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 4.799 124.732 119.914 0.031 0.000 2.444 686 V HA 0.342 4.461 4.120 -0.000 0.000 0.294 686 V C -0.825 175.197 176.094 -0.119 0.000 1.022 686 V CA -0.995 61.292 62.300 -0.023 0.000 0.850 686 V CB 1.821 33.640 31.823 -0.006 0.000 0.992 686 V HN 0.798 nan 8.190 nan 0.000 0.426 687 N N 5.071 123.708 118.700 -0.104 0.000 2.424 687 N HA 0.502 5.242 4.740 -0.000 0.000 0.271 687 N C -0.576 174.853 175.510 -0.135 0.000 0.985 687 N CA -0.337 52.630 53.050 -0.138 0.000 0.921 687 N CB 2.387 40.801 38.487 -0.121 0.000 1.149 687 N HN 0.552 nan 8.380 nan 0.000 0.492 688 I N 3.312 123.761 120.570 -0.200 0.000 2.363 688 I HA 0.054 4.224 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 -0.170 61.026 61.300 -0.174 0.000 1.333 688 I CB 0.750 38.574 38.000 -0.294 0.000 1.415 688 I HN 0.384 nan 8.210 nan 0.000 0.502 689 L N 4.348 125.540 121.223 -0.051 0.000 2.162 689 L HA 0.167 4.507 4.340 -0.000 0.000 0.205 689 L C 0.300 177.142 176.870 -0.046 0.000 1.086 689 L CA 0.824 55.636 54.840 -0.047 0.000 0.778 689 L CB -0.099 41.950 42.059 -0.018 0.000 0.928 689 L HN 0.640 nan 8.230 nan 0.000 0.446 690 D N -1.960 118.455 120.400 0.023 0.000 2.685 690 D HA 0.413 5.053 4.640 -0.000 0.000 0.236 690 D C -1.530 174.879 176.300 0.182 0.000 1.233 690 D CA -0.218 53.797 54.000 0.024 0.000 0.760 690 D CB 2.214 42.925 40.800 -0.148 0.000 1.410 690 D HN -0.291 nan 8.370 nan 0.000 0.439 691 V N 1.448 121.445 119.914 0.137 0.000 2.686 691 V HA 0.677 4.797 4.120 -0.000 0.000 0.306 691 V C -0.351 175.840 176.094 0.161 0.000 1.065 691 V CA -0.756 61.645 62.300 0.170 0.000 0.894 691 V CB 1.869 33.765 31.823 0.122 0.000 1.004 691 V HN 0.749 nan 8.190 nan 0.000 0.424 692 T N 3.399 118.067 114.554 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 69.825 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 0.582 4.922 4.340 -0.000 0.000 0.268 693 L C 0.259 177.250 176.870 0.202 0.000 1.010 693 L CA -1.553 53.399 54.840 0.187 0.000 0.814 693 L CB 1.396 43.580 42.059 0.208 0.000 1.304 693 L HN 0.715 nan 8.230 nan 0.000 0.441 694 H N 0.068 119.199 119.070 0.101 0.000 2.629 694 H HA 0.257 4.813 4.556 -0.000 0.000 0.357 694 H C 0.685 176.033 175.328 0.033 0.000 1.121 694 H CA 0.444 56.534 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 3.593 126.045 122.820 -0.614 0.000 1.933 695 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 695 A C 0.361 177.721 177.584 -0.373 0.000 1.175 695 A CA 1.453 53.293 52.037 -0.330 0.000 0.628 695 A CB -0.245 18.588 19.000 -0.277 0.000 0.814 695 A HN 0.811 nan 8.150 nan 0.000 0.444 696 D N -0.290 119.949 120.400 -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 54.482 54.000 -0.047 0.000 0.854 696 D CB 1.545 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 3.529 126.258 122.820 -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 0.484 52.438 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 -0.511 108.280 108.800 -0.016 0.000 2.554 701 G HA2 0.245 4.204 3.960 -0.000 0.000 0.238 701 G HA3 0.245 4.204 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 0.236 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 1.124 109.931 108.800 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 1.843 176.773 174.900 0.049 0.000 1.156 702 G CA 1.475 46.595 45.100 0.033 0.000 0.766 702 G HN 1.127 nan 8.290 nan 0.000 0.583 703 G N -1.027 107.796 108.800 0.038 0.000 2.527 703 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.219 703 G HA3 -0.053 3.907 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 1.183 46.311 45.100 0.047 0.000 0.759 703 G HN 0.438 nan 8.290 nan 0.000 0.556 704 Q N -0.651 119.171 119.800 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 0.141 28.893 28.738 0.023 0.000 1.057 704 Q HN 0.538 nan 8.270 nan 0.000 0.581 705 I N 0.598 121.197 120.570 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 0.513 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 1.364 121.983 120.570 0.082 0.000 2.226 706 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 706 I C -0.412 175.748 176.117 0.071 0.000 1.100 706 I CA 1.677 63.047 61.300 0.117 0.000 1.374 706 I CB -1.461 36.649 38.000 0.184 0.000 1.057 706 I HN 0.154 nan 8.210 nan 0.000 0.413 707 P HA -0.088 nan 4.420 nan 0.000 0.217 707 P C 1.602 178.875 177.300 -0.044 0.000 1.151 707 P CA 1.413 64.501 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 -0.384 114.164 114.554 -0.011 0.000 2.674 708 T HA -0.203 4.147 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 1.663 63.752 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 1.409 120.999 119.600 -0.016 0.000 2.117 709 M HA 0.006 4.486 4.480 -0.000 0.000 0.262 709 M C 2.172 178.415 176.300 -0.096 0.000 1.065 709 M CA 1.528 56.818 55.300 -0.015 0.000 1.114 709 M CB -0.450 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 -0.115 4.225 4.340 -0.000 0.000 0.231 710 R C 2.490 178.464 176.300 -0.544 0.000 1.119 710 R CA 1.579 57.391 56.100 -0.481 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 -0.130 120.240 120.500 -0.216 0.000 2.075 711 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 711 R C 2.102 178.423 176.300 0.035 0.000 1.126 711 R CA 1.385 57.496 56.100 0.017 0.000 0.963 711 R CB -0.228 30.122 30.300 0.084 0.000 0.858 711 R HN 0.312 nan 8.270 nan 0.000 0.435 712 A N -0.178 122.630 122.820 -0.021 0.000 1.898 712 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 712 A C 2.138 179.734 177.584 0.021 0.000 1.181 712 A CA 1.912 53.955 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 -0.948 113.576 114.554 -0.050 0.000 2.708 713 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 713 T C 1.765 176.501 174.700 0.060 0.000 1.037 713 T CA 1.730 63.830 62.100 0.000 0.000 1.146 713 T CB -0.459 68.386 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 -0.033 4.517 4.550 -0.000 0.000 0.286 714 Y C 2.711 178.499 175.900 -0.186 0.000 1.155 714 Y CA 0.150 58.044 58.100 -0.343 0.000 1.164 714 Y CB -1.316 36.640 38.460 -0.841 0.000 0.978 714 Y HN 0.220 nan 8.280 nan 0.000 0.513 715 A N -0.148 122.738 122.820 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 -1.313 107.583 108.800 0.160 0.000 2.422 716 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 716 G HA3 -0.194 3.766 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 1.078 46.235 45.100 0.094 0.000 0.769 716 G HN 0.480 nan 8.290 nan 0.000 0.547 717 F N 0.800 120.766 119.950 0.027 0.000 2.051 717 F HA -0.056 4.471 4.527 -0.000 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 0.479 121.884 121.223 0.304 0.000 2.187 718 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 718 L C 2.124 179.007 176.870 0.022 0.000 1.100 718 L CA 1.467 56.437 54.840 0.216 0.000 0.765 718 L CB -1.371 40.905 42.059 0.362 0.000 0.904 718 L HN 0.306 nan 8.230 nan 0.000 0.437 719 L N -1.058 120.105 121.223 -0.099 0.000 2.599 719 L HA 0.039 4.379 4.340 -0.000 0.000 0.230 719 L C 1.400 178.110 176.870 -0.267 0.000 1.141 719 L CA 0.218 54.846 54.840 -0.354 0.000 0.877 719 L CB -0.221 41.560 42.059 -0.463 0.000 1.009 719 L HN 0.193 nan 8.230 nan 0.000 0.447 720 A N -0.750 121.933 122.820 -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 -0.238 0.000 1.293 720 A CA -0.312 51.587 52.037 -0.230 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 -0.236 120.050 120.400 -0.190 0.000 3.082 721 D HA -0.097 4.543 4.640 -0.000 0.000 0.234 721 D C -2.630 173.559 176.300 -0.185 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 -0.107 0.000 0.946 721 D HN 0.312 nan 8.370 nan 0.000 0.411 722 P HA 0.248 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 -0.242 0.000 0.768 722 P CB 0.685 32.352 31.700 -0.056 0.000 0.838 723 K N 1.665 122.062 120.400 -0.005 0.000 2.536 723 K HA 0.620 4.940 4.320 -0.000 0.000 0.269 723 K C -0.520 176.170 176.600 0.151 0.000 0.965 723 K CA -0.718 55.607 56.287 0.063 0.000 0.860 723 K CB 1.299 33.820 32.500 0.035 0.000 1.423 723 K HN 0.396 nan 8.250 nan 0.000 0.438 731 V N 1.799 121.687 119.914 -0.043 0.000 2.378 731 V HA 0.581 4.700 4.120 -0.000 0.000 0.288 731 V C -0.149 175.935 176.094 -0.017 0.000 1.016 731 V CA -0.114 62.157 62.300 -0.047 0.000 0.840 731 V CB 2.001 33.749 31.823 -0.125 0.000 0.994 731 V HN 0.628 nan 8.190 nan 0.000 0.431 732 E N 6.587 126.796 120.200 0.015 0.000 2.134 732 E HA 0.516 4.866 4.350 -0.000 0.000 0.278 732 E C -1.198 175.441 176.600 0.064 0.000 0.959 732 E CA -0.590 55.825 56.400 0.026 0.000 0.783 732 E CB 1.313 31.025 29.700 0.021 0.000 1.095 732 E HN 0.769 nan 8.360 nan 0.000 0.399 733 I N 3.980 124.588 120.570 0.063 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 0.091 0.000 1.008 733 I CA -0.862 60.492 61.300 0.090 0.000 1.104 733 I CB 1.865 39.910 38.000 0.075 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 5.009 4.340 -0.000 0.000 0.255 734 Q C -0.773 175.334 176.000 0.178 0.000 0.920 734 Q CA -0.144 55.736 55.803 0.128 0.000 0.927 734 Q CB 1.964 30.750 28.738 0.079 0.000 1.229 734 Q HN 0.833 nan 8.270 nan 0.000 0.433 735 C N 1.148 120.549 119.300 0.168 0.000 3.231 735 C HA 0.673 5.132 4.460 -0.000 0.000 0.343 735 C C -2.945 172.163 174.990 0.197 0.000 1.349 735 C CA -1.841 57.272 59.018 0.159 0.000 1.209 735 C CB 0.753 28.531 27.740 0.063 0.000 1.475 735 C HN 0.553 nan 8.230 nan 0.000 0.460 736 P HA 0.217 nan 4.420 nan 0.000 0.272 736 P C 0.727 178.085 177.300 0.098 0.000 1.223 736 P CA 0.477 63.685 63.100 0.180 0.000 0.784 736 P CB 0.556 32.330 31.700 0.123 0.000 0.923 737 E N 2.184 122.448 120.200 0.107 0.000 2.013 737 E HA -0.333 4.017 4.350 -0.000 0.000 0.202 737 E C 1.333 177.809 176.600 -0.207 0.000 1.018 737 E CA 1.852 58.071 56.400 -0.301 0.000 0.834 737 E CB -0.315 29.324 29.700 -0.103 0.000 0.770 737 E HN 0.362 nan 8.360 nan 0.000 0.459 738 Q N 0.277 120.032 119.800 -0.076 0.000 2.389 738 Q HA -0.146 4.194 4.340 -0.000 0.000 0.213 738 Q C 1.705 177.668 176.000 -0.062 0.000 0.989 738 Q CA 1.723 57.493 55.803 -0.055 0.000 0.891 738 Q CB -0.478 28.251 28.738 -0.014 0.000 0.923 738 Q HN 0.394 nan 8.270 nan 0.000 0.455 739 A N 0.081 122.859 122.820 -0.071 0.000 2.044 739 A HA 0.098 4.418 4.320 -0.000 0.000 0.213 739 A C 2.144 179.658 177.584 -0.117 0.000 1.169 739 A CA 0.350 52.342 52.037 -0.074 0.000 0.724 739 A CB -0.246 18.723 19.000 -0.052 0.000 0.840 739 A HN 0.200 nan 8.150 nan 0.000 0.463 740 V N 0.456 120.268 119.914 -0.170 0.000 2.370 740 V HA -0.294 3.825 4.120 -0.000 0.000 0.252 740 V C 2.748 178.708 176.094 -0.223 0.000 1.068 740 V CA 2.066 64.218 62.300 -0.246 0.000 1.061 740 V CB -1.376 30.260 31.823 -0.312 0.000 0.656 740 V HN 0.605 nan 8.190 nan 0.000 0.455 741 G N -0.175 108.580 108.800 -0.075 0.000 2.450 741 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 741 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 741 G C 1.552 176.451 174.900 -0.001 0.000 1.130 741 G CA 0.933 46.056 45.100 0.038 0.000 0.760 741 G HN 0.615 nan 8.290 nan 0.000 0.557 742 G N 0.862 109.621 108.800 -0.067 0.000 2.421 742 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 742 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 742 G C 1.726 176.569 174.900 -0.096 0.000 1.143 742 G CA 0.620 45.678 45.100 -0.069 0.000 0.784 742 G HN 0.450 nan 8.290 nan 0.000 0.541 743 I N -0.320 120.138 120.570 -0.186 0.000 2.163 743 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 743 I C 2.418 178.439 176.117 -0.160 0.000 1.085 743 I CA 1.128 62.294 61.300 -0.222 0.000 1.347 743 I CB -0.323 37.448 38.000 -0.383 0.000 1.044 743 I HN 0.119 nan 8.210 nan 0.000 0.408 744 Y N 0.202 120.510 120.300 0.013 0.000 2.242 744 Y HA -0.217 4.333 4.550 -0.000 0.000 0.291 744 Y C 2.998 178.912 175.900 0.024 0.000 1.137 744 Y CA 1.341 59.453 58.100 0.019 0.000 1.181 744 Y CB -1.070 37.390 38.460 -0.000 0.000 0.989 744 Y HN 0.124 nan 8.280 nan 0.000 0.527 745 S N -0.272 115.510 115.700 0.137 0.000 2.359 745 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 745 S C 2.168 176.810 174.600 0.070 0.000 1.035 745 S CA 1.649 59.899 58.200 0.084 0.000 1.018 745 S CB -0.705 62.520 63.200 0.042 0.000 0.876 745 S HN 0.180 nan 8.310 nan 0.000 0.448 746 V N 2.333 122.277 119.914 0.051 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 0.149 0.000 1.043 746 V CA 1.886 64.226 62.300 0.067 0.000 1.014 746 V CB -0.867 30.954 31.823 -0.003 0.000 0.645 746 V HN 0.468 nan 8.190 nan 0.000 0.447 747 L N 0.566 121.897 121.223 0.181 0.000 2.021 747 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 747 L C 2.475 179.425 176.870 0.133 0.000 1.074 747 L CA 1.811 56.758 54.840 0.179 0.000 0.760 747 L CB -0.874 41.284 42.059 0.166 0.000 0.889 747 L HN 0.419 nan 8.230 nan 0.000 0.433 748 N N 0.284 119.058 118.700 0.124 0.000 2.364 748 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 748 N C 1.519 177.077 175.510 0.080 0.000 1.022 748 N CA 1.114 54.221 53.050 0.095 0.000 0.883 748 N CB -0.144 38.395 38.487 0.086 0.000 0.965 748 N HN 0.451 nan 8.380 nan 0.000 0.438 749 K N 0.515 120.965 120.400 0.085 0.000 2.459 749 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 749 K C 0.253 176.901 176.600 0.080 0.000 1.030 749 K CA 0.559 56.890 56.287 0.073 0.000 1.026 749 K CB 0.355 32.895 32.500 0.067 0.000 0.809 749 K HN 0.113 nan 8.250 nan 0.000 0.504 750 K N 0.823 121.278 120.400 0.092 0.000 3.239 750 K HA 0.244 4.564 4.320 -0.000 0.000 0.204 750 K C -0.761 175.874 176.600 0.058 0.000 1.126 750 K CA -0.243 56.093 56.287 0.081 0.000 0.948 750 K CB 0.895 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 -0.066 120.470 120.500 0.060 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 0.062 0.000 1.102 751 R CA 0.673 56.808 56.100 0.058 0.000 0.732 751 R CB -1.889 28.442 30.300 0.051 0.000 1.117 751 R HN 0.537 nan 8.270 nan 0.000 0.472 752 G N 0.241 109.083 108.800 0.069 0.000 2.621 752 G HA2 0.311 4.271 3.960 -0.000 0.000 0.271 752 G HA3 0.311 4.271 3.960 -0.000 0.000 0.271 752 G C -0.491 174.468 174.900 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 -0.641 119.224 119.800 0.108 0.000 2.313 753 Q HA 0.360 4.700 4.340 -0.000 0.000 0.255 753 Q C -1.242 174.798 176.000 0.066 0.000 0.944 753 Q CA -0.623 55.246 55.803 0.110 0.000 0.881 753 Q CB 2.014 30.847 28.738 0.159 0.000 1.375 753 Q HN 0.434 nan 8.270 nan 0.000 0.422 754 V N 3.742 123.704 119.914 0.081 0.000 2.811 754 V HA 0.106 4.226 4.120 -0.000 0.000 0.302 754 V C 0.756 176.837 176.094 -0.022 0.000 1.063 754 V CA 0.052 62.398 62.300 0.075 0.000 1.088 754 V CB 1.230 33.170 31.823 0.195 0.000 0.982 754 V HN 0.806 nan 8.190 nan 0.000 0.485 755 V N 1.877 121.739 119.914 -0.087 0.000 2.996 755 V HA 0.218 4.338 4.120 -0.000 0.000 0.235 755 V C 0.517 176.573 176.094 -0.063 0.000 1.205 755 V CA 1.087 63.295 62.300 -0.153 0.000 1.225 755 V CB 1.103 32.697 31.823 -0.382 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 -0.028 0.000 2.535 756 S HA 0.543 5.013 4.470 -0.000 0.000 0.272 756 S C -1.159 173.478 174.600 0.062 0.000 1.149 756 S CA -0.581 57.627 58.200 0.014 0.000 0.888 756 S CB 2.361 65.557 63.200 -0.007 0.000 1.110 756 S HN 0.334 nan 8.310 nan 0.000 0.463 757 E N 2.111 122.368 120.200 0.096 0.000 2.346 757 E HA 0.311 4.660 4.350 -0.000 0.000 0.239 757 E C -0.186 176.506 176.600 0.154 0.000 0.943 757 E CA -0.375 56.121 56.400 0.159 0.000 0.751 757 E CB 0.571 30.398 29.700 0.213 0.000 1.241 757 E HN 0.793 nan 8.360 nan 0.000 0.423 758 E N 2.929 123.199 120.200 0.116 0.000 2.664 758 E HA 0.475 4.825 4.350 -0.000 0.000 0.245 758 E C -0.155 176.428 176.600 -0.028 0.000 1.016 758 E CA -0.860 55.569 56.400 0.048 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 0.320 nan 4.420 nan 0.000 0.317 764 P C 0.680 177.935 177.300 -0.076 0.000 1.427 764 P CA -0.360 62.699 63.100 -0.069 0.000 0.820 764 P CB 0.353 32.021 31.700 -0.053 0.000 1.894 765 L N -2.502 118.698 121.223 -0.038 0.000 2.891 765 L HA 0.356 4.696 4.340 -0.000 0.000 0.216 765 L C 0.368 177.179 176.870 -0.099 0.000 1.209 765 L CA -0.721 54.135 54.840 0.026 0.000 0.957 765 L CB -0.296 41.825 42.059 0.103 0.000 1.876 765 L HN 0.077 nan 8.230 nan 0.000 0.532 766 F N -1.006 118.953 119.950 0.015 0.000 2.509 766 F HA 0.502 5.029 4.527 -0.000 0.000 0.334 766 F C 0.071 175.875 175.800 0.006 0.000 1.060 766 F CA -0.430 57.576 58.000 0.010 0.000 0.997 766 F CB 2.069 41.076 39.000 0.012 0.000 1.271 766 F HN 0.325 nan 8.300 nan 0.000 0.488 767 T N -0.596 114.076 114.554 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 0.101 0.000 0.979 767 T CA -0.726 61.437 62.100 0.106 0.000 1.025 767 T CB 0.297 69.192 68.868 0.045 0.000 1.002 767 T HN 0.298 nan 8.240 nan 0.000 0.453 768 V N 4.128 124.083 119.914 0.068 0.000 2.407 768 V HA 0.507 4.627 4.120 -0.000 0.000 0.278 768 V C 0.215 176.315 176.094 0.010 0.000 1.037 768 V CA -0.671 61.650 62.300 0.034 0.000 0.900 768 V CB 1.386 33.176 31.823 -0.054 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 -0.006 0.000 2.221 769 K HA 0.879 5.198 4.320 -0.000 0.000 0.258 769 K C -0.480 176.055 176.600 -0.109 0.000 0.944 769 K CA -0.385 55.868 56.287 -0.057 0.000 0.823 769 K CB 2.226 34.681 32.500 -0.074 0.000 1.113 769 K HN 0.856 nan 8.250 nan 0.000 0.431 770 A N 2.069 124.799 122.820 -0.150 0.000 2.610 770 A HA 0.554 4.874 4.320 -0.000 0.000 0.291 770 A C -2.009 175.462 177.584 -0.189 0.000 1.086 770 A CA -0.749 51.176 52.037 -0.187 0.000 0.677 770 A CB 0.722 19.695 19.000 -0.045 0.000 1.278 770 A HN 0.519 nan 8.150 nan 0.000 0.414 771 Y N -0.194 120.102 120.300 -0.006 0.000 2.320 771 Y HA 0.635 5.184 4.550 -0.000 0.000 0.334 771 Y C -0.191 175.659 175.900 -0.084 0.000 1.055 771 Y CA -0.889 57.189 58.100 -0.037 0.000 1.143 771 Y CB 1.689 40.176 38.460 0.043 0.000 1.193 771 Y HN 0.565 nan 8.280 nan 0.000 0.477 772 L N 6.564 127.797 121.223 0.018 0.000 2.404 772 L HA 0.658 4.998 4.340 -0.000 0.000 0.272 772 L C -2.783 174.005 176.870 -0.137 0.000 0.980 772 L CA -2.093 52.677 54.840 -0.117 0.000 0.836 772 L CB 1.560 43.427 42.059 -0.320 0.000 1.238 772 L HN 0.350 nan 8.230 nan 0.000 0.408 773 P HA 0.058 nan 4.420 nan 0.000 0.264 773 P C 0.926 178.126 177.300 -0.166 0.000 1.183 773 P CA -0.214 62.826 63.100 -0.100 0.000 0.763 773 P CB 0.836 32.513 31.700 -0.038 0.000 0.807 774 V N 2.410 122.224 119.914 -0.166 0.000 2.407 774 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 774 V C 1.790 177.644 176.094 -0.399 0.000 1.055 774 V CA 2.293 64.448 62.300 -0.242 0.000 1.049 774 V CB -1.233 30.493 31.823 -0.162 0.000 0.662 774 V HN 0.695 nan 8.190 nan 0.000 0.455 775 N N 0.151 118.717 118.700 -0.224 0.000 2.575 775 N HA -0.116 4.624 4.740 -0.000 0.000 0.192 775 N C 1.042 176.422 175.510 -0.218 0.000 1.200 775 N CA 0.707 53.639 53.050 -0.196 0.000 0.897 775 N CB -0.214 38.319 38.487 0.075 0.000 0.990 775 N HN 0.457 nan 8.380 nan 0.000 0.449 776 E N -0.643 119.405 120.200 -0.253 0.000 2.603 776 E HA 0.095 4.445 4.350 -0.000 0.000 0.211 776 E C 0.228 176.720 176.600 -0.179 0.000 0.995 776 E CA 0.140 56.457 56.400 -0.138 0.000 0.990 776 E CB 0.462 30.125 29.700 -0.063 0.000 1.036 776 E HN 0.529 nan 8.360 nan 0.000 0.475 777 S N -0.413 115.043 115.700 -0.407 0.000 2.557 777 S HA 0.192 4.662 4.470 -0.000 0.000 0.223 777 S C 0.335 174.866 174.600 -0.114 0.000 0.969 777 S CA -0.524 57.508 58.200 -0.279 0.000 0.927 777 S CB -0.365 62.628 63.200 -0.345 0.000 0.806 777 S HN -0.076 nan 8.310 nan 0.000 0.489 778 F N 2.742 122.758 119.950 0.110 0.000 2.438 778 F HA 0.618 5.145 4.527 -0.000 0.000 0.360 778 F C 1.623 177.493 175.800 0.116 0.000 1.118 778 F CA -0.409 57.652 58.000 0.101 0.000 1.164 778 F CB 0.392 39.435 39.000 0.073 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 0.291 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 1.060 176.056 174.900 0.160 0.000 0.982 779 G CA 0.218 45.430 45.100 0.187 0.000 0.641 779 G HN 0.592 nan 8.290 nan 0.000 0.527 780 F N 1.919 121.905 119.950 0.060 0.000 2.091 780 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 780 F C 2.628 178.442 175.800 0.024 0.000 1.103 780 F CA 2.989 61.005 58.000 0.027 0.000 1.228 780 F CB -0.588 38.415 39.000 0.004 0.000 0.984 780 F HN 0.204 nan 8.300 nan 0.000 0.477 781 T N -0.514 114.080 114.554 0.066 0.000 2.778 781 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 781 T C 2.065 176.686 174.700 -0.132 0.000 1.050 781 T CA 1.761 63.837 62.100 -0.040 0.000 1.137 781 T CB -1.078 67.855 68.868 0.107 0.000 0.860 781 T HN 0.464 nan 8.240 nan 0.000 0.468 782 G N 0.273 109.028 108.800 -0.075 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 -0.129 0.000 1.189 782 G CA 0.547 45.605 45.100 -0.070 0.000 0.789 782 G HN 0.575 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 4.271 4.350 -0.000 0.000 0.196 783 E C 2.316 178.755 176.600 -0.267 0.000 0.996 783 E CA 0.404 56.702 56.400 -0.171 0.000 0.832 783 E CB -0.048 29.576 29.700 -0.127 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 2.375 179.078 176.870 -0.278 0.000 1.076 784 L CA 1.608 56.176 54.840 -0.454 0.000 0.753 784 L CB -0.200 41.445 42.059 -0.689 0.000 0.910 784 L HN -0.054 nan 8.230 nan 0.000 0.439 785 R N -1.093 119.263 120.500 -0.241 0.000 2.120 785 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 785 R C 2.133 178.349 176.300 -0.140 0.000 1.123 785 R CA 1.475 57.459 56.100 -0.195 0.000 0.975 785 R CB -0.862 29.340 30.300 -0.163 0.000 0.866 785 R HN 0.329 nan 8.270 nan 0.000 0.446 786 Q N 1.028 120.754 119.800 -0.123 0.000 2.224 786 Q HA 0.051 4.391 4.340 -0.000 0.000 0.203 786 Q C 1.802 177.753 176.000 -0.082 0.000 0.970 786 Q CA 1.889 57.642 55.803 -0.084 0.000 0.865 786 Q CB -0.052 28.644 28.738 -0.069 0.000 0.922 786 Q HN 0.534 nan 8.270 nan 0.000 0.445 787 A N -1.047 121.709 122.820 -0.107 0.000 2.238 787 A HA 0.093 4.413 4.320 -0.000 0.000 0.210 787 A C 1.479 179.009 177.584 -0.091 0.000 1.179 787 A CA 0.999 52.983 52.037 -0.089 0.000 0.827 787 A CB -0.024 18.919 19.000 -0.096 0.000 0.856 787 A HN 0.399 nan 8.150 nan 0.000 0.488 788 T N -5.288 109.199 114.554 -0.111 0.000 3.145 788 T HA 0.426 4.776 4.350 -0.000 0.000 0.281 788 T C 1.069 175.716 174.700 -0.089 0.000 1.003 788 T CA 0.867 62.904 62.100 -0.105 0.000 0.901 788 T CB -0.071 68.715 68.868 -0.137 0.000 1.112 788 T HN 1.551 nan 8.240 nan 0.000 0.535 789 G N 1.099 109.854 108.800 -0.077 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 1.118 175.975 174.900 -0.070 0.000 1.047 789 G CA 0.257 45.323 45.100 -0.056 0.000 0.869 789 G HN 1.840 nan 8.290 nan 0.000 0.502 790 G N -1.501 107.229 108.800 -0.116 0.000 2.203 790 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 790 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 790 G C 0.837 175.597 174.900 -0.232 0.000 1.012 790 G CA 1.352 46.354 45.100 -0.163 0.000 0.749 790 G HN 0.963 nan 8.290 nan 0.000 0.512 791 Q N -0.851 118.824 119.800 -0.210 0.000 2.378 791 Q HA 0.497 4.837 4.340 -0.000 0.000 0.216 791 Q C 1.467 177.307 176.000 -0.265 0.000 0.892 791 Q CA 0.578 56.283 55.803 -0.163 0.000 0.931 791 Q CB 0.707 29.424 28.738 -0.035 0.000 1.086 791 Q HN 0.771 nan 8.270 nan 0.000 0.528 792 A N 0.726 123.336 122.820 -0.349 0.000 2.310 792 A HA 0.564 4.884 4.320 -0.000 0.000 0.299 792 A C -1.012 176.275 177.584 -0.496 0.000 1.147 792 A CA -0.225 51.650 52.037 -0.269 0.000 0.818 792 A CB 0.215 19.112 19.000 -0.171 0.000 1.096 792 A HN 0.165 nan 8.150 nan 0.000 0.495 793 F N 3.790 123.766 119.950 0.043 0.000 2.434 793 F HA 0.391 4.918 4.527 -0.000 0.000 0.355 793 F C -1.998 173.849 175.800 0.078 0.000 1.115 793 F CA -2.015 56.026 58.000 0.068 0.000 1.010 793 F CB 2.104 41.149 39.000 0.076 0.000 1.234 793 F HN 0.390 nan 8.300 nan 0.000 0.439 794 P HA 0.213 nan 4.420 nan 0.000 0.276 794 P C -1.415 176.004 177.300 0.199 0.000 1.244 794 P CA -0.463 62.777 63.100 0.233 0.000 0.801 794 P CB 2.020 33.918 31.700 0.330 0.000 1.006 795 Q N 1.018 120.905 119.800 0.146 0.000 2.295 795 Q HA 0.566 4.906 4.340 -0.000 0.000 0.268 795 Q C -1.603 174.434 176.000 0.062 0.000 1.010 795 Q CA -0.474 55.390 55.803 0.103 0.000 0.856 795 Q CB 1.733 30.520 28.738 0.081 0.000 1.349 795 Q HN 0.409 nan 8.270 nan 0.000 0.412 796 M N 2.769 122.398 119.600 0.049 0.000 2.386 796 M HA 0.636 5.115 4.480 -0.000 0.000 0.293 796 M C -1.482 174.828 176.300 0.016 0.000 1.120 796 M CA -1.016 54.290 55.300 0.010 0.000 0.909 796 M CB 2.527 35.117 32.600 -0.018 0.000 1.661 796 M HN 0.384 nan 8.290 nan 0.000 0.452 797 V N 2.828 122.744 119.914 0.003 0.000 2.841 797 V HA 0.553 4.672 4.120 -0.000 0.000 0.310 797 V C -1.465 174.631 176.094 0.003 0.000 1.090 797 V CA -0.702 61.606 62.300 0.014 0.000 0.930 797 V CB 2.328 34.157 31.823 0.009 0.000 1.014 797 V HN 0.731 nan 8.190 nan 0.000 0.425 798 F N 4.718 124.594 119.950 -0.123 0.000 2.608 798 F HA 0.239 4.766 4.527 -0.000 0.000 0.380 798 F C 0.734 176.426 175.800 -0.180 0.000 1.083 798 F CA 1.076 58.958 58.000 -0.197 0.000 1.266 798 F CB 1.044 39.902 39.000 -0.237 0.000 1.076 798 F HN 0.814 nan 8.300 nan 0.000 0.574 799 D N 2.759 122.511 120.400 -1.081 0.000 2.995 799 D HA 0.077 4.716 4.640 -0.000 0.000 0.289 799 D C -0.473 175.204 176.300 -1.039 0.000 1.116 799 D CA 0.683 54.193 54.000 -0.816 0.000 0.994 799 D CB 0.270 40.874 40.800 -0.327 0.000 1.209 799 D HN 0.671 nan 8.370 nan 0.000 0.458 800 H N -2.814 115.562 119.070 -1.156 0.000 3.014 800 H HA 0.223 4.779 4.556 -0.000 0.000 0.337 800 H C -1.533 173.521 175.328 -0.456 0.000 1.320 800 H CA -1.087 54.525 56.048 -0.727 0.000 1.128 800 H CB -0.347 29.184 29.762 -0.385 0.000 1.862 800 H HN 0.026 nan 8.280 nan 0.000 0.536 801 W N 1.148 122.531 121.300 0.139 0.000 2.316 801 W HA 0.474 5.134 4.660 -0.000 0.000 0.321 801 W C 0.477 177.120 176.519 0.206 0.000 1.203 801 W CA -0.340 57.123 57.345 0.197 0.000 1.214 801 W CB 1.627 31.207 29.460 0.201 0.000 1.169 801 W HN 0.517 nan 8.180 nan 0.000 0.561 802 S N 1.631 117.602 115.700 0.451 0.000 2.561 802 S HA 0.439 4.908 4.470 -0.000 0.000 0.303 802 S C -0.536 174.224 174.600 0.266 0.000 1.110 802 S CA -0.693 57.697 58.200 0.317 0.000 1.034 802 S CB 0.657 64.030 63.200 0.289 0.000 1.010 802 S HN 0.309 nan 8.310 nan 0.000 0.482 803 T N 5.837 120.506 114.554 0.191 0.000 2.752 803 T HA 0.291 4.641 4.350 -0.000 0.000 0.295 803 T C 0.138 174.916 174.700 0.131 0.000 0.923 803 T CA -0.153 62.042 62.100 0.159 0.000 1.112 803 T CB -0.132 68.801 68.868 0.109 0.000 0.884 803 T HN 0.537 nan 8.240 nan 0.000 0.525 804 L N 3.046 124.353 121.223 0.141 0.000 2.360 804 L HA 0.291 4.631 4.340 -0.000 0.000 0.276 804 L C 1.771 178.684 176.870 0.073 0.000 1.121 804 L CA -0.351 54.554 54.840 0.107 0.000 0.845 804 L CB 0.600 42.725 42.059 0.110 0.000 1.143 804 L HN 0.861 nan 8.230 nan 0.000 0.452 805 G N 1.734 110.567 108.800 0.056 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 0.027 0.000 1.130 805 G CA 0.238 45.361 45.100 0.037 0.000 0.784 805 G HN 0.651 nan 8.290 nan 0.000 0.543 806 S N 0.231 115.947 115.700 0.027 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 57.542 58.200 0.015 0.000 1.018 806 S CB 1.535 64.741 63.200 0.011 0.000 0.899 806 S HN 0.137 nan 8.310 nan 0.000 0.542 807 D N 1.445 121.848 120.400 0.005 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 -0.006 0.000 1.223 807 D CA -1.951 52.052 54.000 0.005 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 1.044 178.325 177.300 -0.032 0.000 1.147 808 P CA 0.439 63.524 63.100 -0.026 0.000 0.790 808 P CB 0.333 32.050 31.700 0.028 0.000 0.780 809 L N -1.401 119.825 121.223 0.004 0.000 2.591 809 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 809 L C 0.653 177.521 176.870 -0.004 0.000 1.133 809 L CA 0.750 55.596 54.840 0.010 0.000 0.880 809 L CB -0.940 41.145 42.059 0.044 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 -0.013 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 -0.029 0.000 1.097 810 D CA -2.371 51.621 54.000 -0.014 0.000 0.865 810 D CB 1.641 42.437 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 0.892 178.170 177.300 -0.035 0.000 1.141 811 P CA 1.391 64.467 63.100 -0.040 0.000 0.794 811 P CB 0.194 31.876 31.700 -0.030 0.000 0.764 812 T N -6.191 108.349 114.554 -0.024 0.000 3.054 812 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 812 T C 0.820 175.511 174.700 -0.015 0.000 1.035 812 T CA -0.213 61.876 62.100 -0.018 0.000 0.941 812 T CB -0.429 68.433 68.868 -0.010 0.000 1.026 812 T HN 0.104 nan 8.240 nan 0.000 0.533 813 S N 0.875 116.563 115.700 -0.020 0.000 2.669 813 S HA 0.420 4.890 4.470 -0.000 0.000 0.270 813 S C 1.130 175.717 174.600 -0.021 0.000 1.225 813 S CA -0.971 57.221 58.200 -0.014 0.000 0.991 813 S CB 1.520 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 0.621 121.016 120.400 -0.009 0.000 2.032 814 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 814 K C 2.430 179.008 176.600 -0.037 0.000 1.048 814 K CA 1.522 57.804 56.287 -0.007 0.000 0.927 814 K CB -0.804 31.706 32.500 0.017 0.000 0.712 814 K HN 0.730 nan 8.250 nan 0.000 0.441 815 A N 1.211 124.007 122.820 -0.040 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 -0.154 0.000 1.186 815 A CA 1.867 53.852 52.037 -0.086 0.000 0.616 815 A CB -1.207 17.769 19.000 -0.040 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 -0.108 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 1.393 176.208 174.900 -0.141 0.000 1.141 816 G CA 1.040 46.067 45.100 -0.122 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 -0.109 0.000 2.077 817 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 817 E C 2.515 179.031 176.600 -0.141 0.000 0.989 817 E CA 0.661 57.005 56.400 -0.094 0.000 0.800 817 E CB -0.160 29.509 29.700 -0.051 0.000 0.746 817 E HN 0.495 nan 8.360 nan 0.000 0.452 818 I N 0.905 121.357 120.570 -0.196 0.000 2.226 818 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 818 I C 2.388 178.232 176.117 -0.456 0.000 1.100 818 I CA 0.790 61.916 61.300 -0.290 0.000 1.374 818 I CB -0.190 37.556 38.000 -0.424 0.000 1.057 818 I HN -0.024 nan 8.210 nan 0.000 0.413 819 V N 0.634 120.204 119.914 -0.573 0.000 2.427 819 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 819 V C 2.319 178.178 176.094 -0.391 0.000 1.051 819 V CA 1.433 63.256 62.300 -0.795 0.000 1.048 819 V CB -0.396 31.049 31.823 -0.629 0.000 0.666 819 V HN 0.358 nan 8.190 nan 0.000 0.456 820 L N 0.791 121.877 121.223 -0.229 0.000 2.093 820 L HA 0.023 4.362 4.340 -0.000 0.000 0.208 820 L C 2.390 179.209 176.870 -0.084 0.000 1.085 820 L CA 2.227 56.995 54.840 -0.119 0.000 0.755 820 L CB -0.867 41.142 42.059 -0.084 0.000 0.904 820 L HN 0.203 nan 8.230 nan 0.000 0.435 821 A N -0.500 122.262 122.820 -0.096 0.000 1.898 821 A HA -0.020 4.299 4.320 -0.000 0.000 0.216 821 A C 2.427 179.988 177.584 -0.039 0.000 1.181 821 A CA 1.561 53.566 52.037 -0.054 0.000 0.620 821 A CB -1.053 17.923 19.000 -0.039 0.000 0.819 821 A HN 0.534 nan 8.150 nan 0.000 0.442 822 A N -0.328 122.476 122.820 -0.027 0.000 1.930 822 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 822 A C 2.242 179.912 177.584 0.144 0.000 1.175 822 A CA 1.333 53.428 52.037 0.097 0.000 0.627 822 A CB -0.417 18.822 19.000 0.398 0.000 0.815 822 A HN 0.524 nan 8.150 nan 0.000 0.443 823 R N -0.114 120.458 120.500 0.121 0.000 2.073 823 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 823 R C 2.171 178.523 176.300 0.087 0.000 1.134 823 R CA 1.608 57.794 56.100 0.143 0.000 0.952 823 R CB -0.262 30.082 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 0.026 0.000 2.057 824 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 824 K C 2.154 178.750 176.600 -0.007 0.000 1.050 824 K CA 0.984 57.277 56.287 0.010 0.000 0.935 824 K CB -0.182 32.313 32.500 -0.007 0.000 0.715 824 K HN 0.081 nan 8.250 nan 0.000 0.439 825 R N 0.458 120.920 120.500 -0.063 0.000 2.159 825 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 825 R C 1.332 177.529 176.300 -0.172 0.000 1.131 825 R CA 1.266 57.277 56.100 -0.148 0.000 0.982 825 R CB 0.030 30.182 30.300 -0.246 0.000 0.868 825 R HN 0.319 nan 8.270 nan 0.000 0.453 826 H N -1.580 117.525 119.070 0.059 0.000 2.586 826 H HA 0.195 4.751 4.556 -0.000 0.000 0.273 826 H C 0.860 176.213 175.328 0.042 0.000 0.997 826 H CA 0.663 56.744 56.048 0.055 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 1.557 110.431 108.800 0.123 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 0.286 175.234 174.900 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 -1.016 118.642 119.600 0.095 0.000 2.369 828 M HA 0.557 5.037 4.480 -0.000 0.000 0.291 828 M C 0.705 177.035 176.300 0.050 0.000 1.178 828 M CA -0.896 54.449 55.300 0.075 0.000 0.996 828 M CB 0.769 33.427 32.600 0.097 0.000 1.472 828 M HN 0.051 nan 8.290 nan 0.000 0.496 829 K N 0.921 121.342 120.400 0.035 0.000 2.295 829 K HA 0.045 4.365 4.320 -0.000 0.000 0.270 829 K C 0.430 177.043 176.600 0.021 0.000 1.011 829 K CA 0.504 56.804 56.287 0.021 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 2.084 122.291 120.200 0.011 0.000 2.031 830 E HA -0.146 4.204 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 1.220 57.622 56.400 0.004 0.000 0.800 830 E CB -0.042 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 1.453 121.653 120.200 -0.001 0.000 2.414 831 E HA 0.052 4.402 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 1.262 30.957 29.700 -0.008 0.000 0.948 831 E HN -0.095 nan 8.360 nan 0.000 0.444 832 V N 5.792 125.717 119.914 0.018 0.000 2.455 832 V HA 0.111 4.230 4.120 -0.000 0.000 0.273 832 V C -1.923 174.204 176.094 0.055 0.000 1.045 832 V CA -1.611 60.715 62.300 0.043 0.000 0.976 832 V CB 0.626 32.481 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 0.377 177.771 177.300 0.156 0.000 1.193 833 P CA 0.361 63.501 63.100 0.066 0.000 0.763 833 P CB 0.498 32.225 31.700 0.044 0.000 0.810 834 G N 2.623 111.472 108.800 0.082 0.000 2.580 834 G HA2 0.110 4.070 3.960 -0.000 0.000 0.278 834 G HA3 0.110 4.070 3.960 -0.000 0.000 0.278 834 G C 0.904 175.934 174.900 0.217 0.000 1.212 834 G CA -0.681 44.486 45.100 0.111 0.000 0.939 834 G HN 0.725 nan 8.290 nan 0.000 0.513 835 W N -0.155 121.265 121.300 0.200 0.000 2.325 835 W HA -0.192 4.468 4.660 0.000 0.000 0.299 835 W C 1.453 178.128 176.519 0.260 0.000 1.215 835 W CA 1.205 58.703 57.345 0.255 0.000 1.244 835 W CB -0.648 28.894 29.460 0.137 0.000 1.140 835 W HN 0.510 nan 8.180 nan 0.000 0.523 836 Q N 1.083 120.496 119.800 -0.644 0.000 2.248 836 Q HA -0.186 4.154 4.340 -0.000 0.000 0.208 836 Q C 1.955 177.872 176.000 -0.137 0.000 0.984 836 Q CA 2.127 57.556 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 -0.802 119.330 120.200 -0.113 0.000 2.409 837 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 837 E C 0.496 176.894 176.600 -0.337 0.000 1.024 837 E CA 0.903 57.148 56.400 -0.259 0.000 0.861 837 E CB 0.122 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 0.158 176.175 175.900 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 38.823 38.460 0.211 0.000 1.252 838 Y HN -0.089 nan 8.280 nan 0.000 0.531 839 Y N 2.343 122.787 120.300 0.240 0.000 2.326 839 Y HA 0.363 4.912 4.550 -0.000 0.000 0.337 839 Y C -0.570 175.388 175.900 0.095 0.000 1.023 839 Y CA -0.976 57.254 58.100 0.215 0.000 1.143 839 Y CB 0.648 39.333 38.460 0.375 0.000 1.183 839 Y HN 0.030 nan 8.280 nan 0.000 0.485 840 D N 7.056 127.248 120.400 -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 -0.461 53.401 54.000 -0.229 0.000 0.882 840 D CB 1.176 41.864 40.800 -0.185 0.000 1.037 840 D HN 0.536 nan 8.370 nan 0.000 0.520 841 K N 2.111 122.471 120.400 -0.066 0.000 2.518 841 K HA 0.076 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 56.140 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 0.082 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502