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 2p8y_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 -0.354 0.000 1.274 3 A CA 0.000 51.819 52.037 -0.363 0.000 0.836 3 A CB 0.000 18.890 19.000 -0.183 0.000 0.831 4 F N 0.882 120.784 119.950 -0.080 0.000 2.575 4 F HA 0.807 5.333 4.527 -0.001 0.000 0.330 4 F C 1.191 176.955 175.800 -0.059 0.000 1.056 4 F CA -0.185 57.762 58.000 -0.088 0.000 0.964 4 F CB 2.048 40.986 39.000 -0.104 0.000 1.258 4 F HN 0.632 nan 8.300 nan 0.000 0.484 5 T N -2.039 112.620 114.554 0.175 0.000 2.902 5 T HA 0.384 4.734 4.350 -0.001 0.000 0.280 5 T C 0.961 175.687 174.700 0.044 0.000 0.992 5 T CA -0.670 61.470 62.100 0.067 0.000 1.015 5 T CB 1.185 70.070 68.868 0.029 0.000 1.044 5 T HN 0.285 nan 8.240 nan 0.000 0.520 6 V N 1.273 121.200 119.914 0.022 0.000 2.469 6 V HA -0.163 3.957 4.120 -0.001 0.000 0.251 6 V C 2.473 178.561 176.094 -0.010 0.000 1.064 6 V CA 2.071 64.378 62.300 0.012 0.000 1.066 6 V CB -0.771 31.057 31.823 0.008 0.000 0.667 6 V HN 0.897 nan 8.190 nan 0.000 0.461 7 D N -0.563 119.824 120.400 -0.021 0.000 2.117 7 D HA -0.172 4.468 4.640 -0.001 0.000 0.198 7 D C 2.302 178.555 176.300 -0.079 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 -0.037 0.000 0.967 7 D HN 0.547 nan 8.370 nan 0.000 0.464 8 Q N -0.267 119.469 119.800 -0.107 0.000 2.084 8 Q HA -0.106 4.234 4.340 -0.001 0.000 0.202 8 Q C 2.285 178.128 176.000 -0.263 0.000 0.978 8 Q CA 0.868 56.526 55.803 -0.242 0.000 0.844 8 Q CB 0.025 28.550 28.738 -0.355 0.000 0.898 8 Q HN 0.227 nan 8.270 nan 0.000 0.426 9 M N 0.115 119.633 119.600 -0.136 0.000 2.067 9 M HA -0.160 4.319 4.480 -0.001 0.000 0.260 9 M C 2.189 178.456 176.300 -0.056 0.000 1.069 9 M CA 1.495 56.757 55.300 -0.064 0.000 1.117 9 M CB -0.851 31.766 32.600 0.028 0.000 1.334 9 M HN 0.042 nan 8.290 nan 0.000 0.407 10 R N 0.253 120.726 120.500 -0.045 0.000 2.127 10 R HA -0.097 4.242 4.340 -0.001 0.000 0.238 10 R C 2.392 178.659 176.300 -0.055 0.000 1.134 10 R CA 2.060 58.137 56.100 -0.038 0.000 0.975 10 R CB -0.810 29.472 30.300 -0.030 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 -0.082 0.000 2.387 11 S HA -0.035 4.435 4.470 -0.001 0.000 0.226 11 S C 1.652 176.197 174.600 -0.092 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 -0.111 0.000 0.814 11 S HN 0.298 nan 8.310 nan 0.000 0.477 12 L N 1.549 122.706 121.223 -0.109 0.000 2.093 12 L HA 0.181 4.521 4.340 -0.001 0.000 0.208 12 L C 2.282 179.126 176.870 -0.044 0.000 1.085 12 L CA 1.744 56.534 54.840 -0.083 0.000 0.755 12 L CB -0.765 41.247 42.059 -0.079 0.000 0.904 12 L HN 0.412 nan 8.230 nan 0.000 0.435 13 M N -1.423 118.157 119.600 -0.034 0.000 2.557 13 M HA -0.122 4.357 4.480 -0.001 0.000 0.259 13 M C 1.327 177.609 176.300 -0.030 0.000 1.086 13 M CA 0.703 55.991 55.300 -0.020 0.000 1.096 13 M CB -0.264 32.329 32.600 -0.012 0.000 1.424 13 M HN 0.124 nan 8.290 nan 0.000 0.488 14 D N 1.113 121.488 120.400 -0.041 0.000 2.162 14 D HA -0.023 4.617 4.640 -0.001 0.000 0.203 14 D C 0.527 176.802 176.300 -0.042 0.000 0.967 14 D CA 1.022 54.997 54.000 -0.041 0.000 0.840 14 D CB 0.118 40.891 40.800 -0.045 0.000 0.972 14 D HN 0.316 nan 8.370 nan 0.000 0.482 15 K N 1.512 121.882 120.400 -0.049 0.000 2.502 15 K HA 0.096 4.416 4.320 -0.001 0.000 0.244 15 K C 1.393 177.971 176.600 -0.035 0.000 1.249 15 K CA -0.185 56.071 56.287 -0.053 0.000 1.193 15 K CB 0.813 33.263 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 -0.001 0.000 0.265 16 V C 1.904 178.003 176.094 0.009 0.000 1.122 16 V CA 1.989 64.283 62.300 -0.010 0.000 1.143 16 V CB -1.390 30.420 31.823 -0.022 0.000 0.726 16 V HN 0.560 nan 8.190 nan 0.000 0.507 17 T N -1.680 112.878 114.554 0.006 0.000 2.995 17 T HA -0.033 4.317 4.350 -0.001 0.000 0.269 17 T C 1.151 175.901 174.700 0.083 0.000 1.091 17 T CA 1.438 63.557 62.100 0.032 0.000 1.128 17 T CB -0.596 68.283 68.868 0.019 0.000 0.891 17 T HN 0.541 nan 8.240 nan 0.000 0.492 18 N N 0.706 119.437 118.700 0.051 0.000 2.380 18 N HA 0.410 5.150 4.740 -0.001 0.000 0.255 18 N C -1.125 174.484 175.510 0.165 0.000 1.158 18 N CA -0.154 52.962 53.050 0.111 0.000 0.878 18 N CB 0.943 39.269 38.487 -0.270 0.000 1.138 18 N HN 0.242 nan 8.380 nan 0.000 0.509 19 V N 0.576 120.565 119.914 0.124 0.000 2.815 19 V HA 0.554 4.674 4.120 -0.001 0.000 0.314 19 V C -0.253 175.898 176.094 0.094 0.000 1.064 19 V CA -0.807 61.552 62.300 0.099 0.000 0.952 19 V CB 2.166 34.019 31.823 0.050 0.000 1.020 19 V HN 0.108 nan 8.190 nan 0.000 0.439 20 R N 2.781 123.329 120.500 0.079 0.000 2.500 20 R HA 0.396 4.736 4.340 -0.001 0.000 0.299 20 R C -1.147 175.182 176.300 0.047 0.000 1.038 20 R CA -0.389 55.742 56.100 0.052 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 3.755 122.481 118.700 0.043 0.000 2.437 21 N HA 0.501 5.241 4.740 -0.001 0.000 0.259 21 N C -0.146 175.390 175.510 0.043 0.000 0.983 21 N CA -0.485 52.595 53.050 0.049 0.000 0.937 21 N CB 1.070 39.586 38.487 0.048 0.000 1.122 21 N HN 0.379 nan 8.380 nan 0.000 0.499 22 M N -0.429 119.194 119.600 0.038 0.000 2.924 22 M HA 0.654 5.134 4.480 -0.001 0.000 0.271 22 M C -0.997 175.313 176.300 0.017 0.000 1.280 22 M CA -0.918 54.396 55.300 0.024 0.000 0.813 22 M CB 1.296 33.902 32.600 0.010 0.000 1.658 22 M HN 0.291 nan 8.290 nan 0.000 0.467 23 S N -0.786 114.915 115.700 0.001 0.000 2.705 23 S HA 0.952 5.421 4.470 -0.001 0.000 0.280 23 S C -1.457 173.127 174.600 -0.027 0.000 1.174 23 S CA -0.792 57.401 58.200 -0.011 0.000 0.823 23 S CB 1.577 64.769 63.200 -0.013 0.000 1.162 23 S HN 1.019 nan 8.310 nan 0.000 0.487 24 V N 1.462 121.354 119.914 -0.036 0.000 2.417 24 V HA 0.510 4.629 4.120 -0.001 0.000 0.291 24 V C -0.636 175.426 176.094 -0.054 0.000 1.024 24 V CA -0.593 61.680 62.300 -0.044 0.000 0.861 24 V CB 1.065 32.863 31.823 -0.042 0.000 0.985 24 V HN 0.798 nan 8.190 nan 0.000 0.436 25 I N 4.329 124.865 120.570 -0.056 0.000 2.339 25 I HA 0.801 4.971 4.170 -0.001 0.000 0.290 25 I C 0.197 176.280 176.117 -0.056 0.000 0.994 25 I CA -0.212 61.047 61.300 -0.068 0.000 1.191 25 I CB 1.563 39.522 38.000 -0.068 0.000 1.343 25 I HN 0.762 nan 8.210 nan 0.000 0.458 26 A N 5.365 128.144 122.820 -0.069 0.000 2.577 26 A HA 0.401 4.721 4.320 -0.001 0.000 0.297 26 A C -1.191 176.330 177.584 -0.106 0.000 1.060 26 A CA -0.610 51.399 52.037 -0.048 0.000 0.697 26 A CB 1.331 20.330 19.000 -0.003 0.000 1.281 26 A HN 0.730 nan 8.150 nan 0.000 0.402 27 H N 1.715 120.592 119.070 -0.321 0.000 2.707 27 H HA 0.408 4.963 4.556 -0.001 0.000 0.359 27 H C 0.518 175.625 175.328 -0.368 0.000 1.113 27 H CA 0.841 56.621 56.048 -0.447 0.000 1.422 27 H CB 1.193 30.478 29.762 -0.795 0.000 1.443 27 H HN 0.765 nan 8.280 nan 0.000 0.591 28 V N 2.603 122.440 119.914 -0.127 0.000 2.843 28 V HA -0.060 4.059 4.120 -0.001 0.000 0.305 28 V C 0.822 177.017 176.094 0.169 0.000 1.120 28 V CA 0.446 62.758 62.300 0.019 0.000 1.254 28 V CB 0.128 31.938 31.823 -0.023 0.000 0.901 28 V HN 1.035 nan 8.190 nan 0.000 0.503 29 D N 0.078 120.551 120.400 0.122 0.000 2.946 29 D HA -0.233 4.407 4.640 -0.001 0.000 0.202 29 D C 0.888 177.325 176.300 0.229 0.000 1.068 29 D CA 1.952 56.043 54.000 0.153 0.000 1.011 29 D CB -1.078 39.815 40.800 0.155 0.000 1.105 29 D HN 0.998 nan 8.370 nan 0.000 0.425 30 H N 0.024 119.118 119.070 0.039 0.000 2.556 30 H HA 0.243 4.798 4.556 -0.001 0.000 0.268 30 H C 1.825 177.146 175.328 -0.012 0.000 0.996 30 H CA 0.589 56.642 56.048 0.008 0.000 1.157 30 H CB 0.426 30.197 29.762 0.014 0.000 1.355 30 H HN 0.404 nan 8.280 nan 0.000 0.597 31 G N 1.700 110.560 108.800 0.100 0.000 2.131 31 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.201 31 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.201 31 G C 1.018 175.927 174.900 0.015 0.000 1.000 31 G CA 0.432 45.553 45.100 0.033 0.000 0.680 31 G HN 0.432 nan 8.290 nan 0.000 0.514 32 K N 0.559 120.972 120.400 0.021 0.000 2.063 32 K HA -0.064 4.256 4.320 -0.001 0.000 0.208 32 K C 2.556 179.147 176.600 -0.015 0.000 1.048 32 K CA 2.184 58.468 56.287 -0.005 0.000 0.928 32 K CB -0.299 32.191 32.500 -0.016 0.000 0.713 32 K HN 0.337 nan 8.250 nan 0.000 0.442 33 S N 0.070 115.764 115.700 -0.010 0.000 2.345 33 S HA -0.143 4.327 4.470 -0.001 0.000 0.220 33 S C 2.046 176.640 174.600 -0.011 0.000 1.031 33 S CA 1.837 60.029 58.200 -0.013 0.000 0.996 33 S CB -0.547 62.647 63.200 -0.010 0.000 0.882 33 S HN 0.723 nan 8.310 nan 0.000 0.445 34 T N 0.952 115.502 114.554 -0.007 0.000 2.915 34 T HA 0.082 4.432 4.350 -0.001 0.000 0.269 34 T C 1.700 176.390 174.700 -0.016 0.000 1.071 34 T CA 0.735 62.831 62.100 -0.007 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 -0.025 0.000 2.072 35 L HA -0.011 4.328 4.340 -0.001 0.000 0.205 35 L C 3.348 180.201 176.870 -0.030 0.000 1.079 35 L CA 1.752 56.570 54.840 -0.037 0.000 0.752 35 L CB -0.920 41.111 42.059 -0.047 0.000 0.906 35 L HN 0.537 nan 8.230 nan 0.000 0.436 36 T N -4.120 110.420 114.554 -0.024 0.000 2.904 36 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 36 T C 1.479 176.172 174.700 -0.011 0.000 1.059 36 T CA 1.119 63.207 62.100 -0.019 0.000 1.137 36 T CB -0.245 68.611 68.868 -0.019 0.000 0.879 36 T HN 0.168 nan 8.240 nan 0.000 0.467 37 D N 1.296 121.690 120.400 -0.009 0.000 2.117 37 D HA -0.075 4.565 4.640 -0.001 0.000 0.197 37 D C 2.384 178.683 176.300 -0.001 0.000 0.987 37 D CA 1.452 55.450 54.000 -0.003 0.000 0.829 37 D CB -0.626 40.174 40.800 -0.000 0.000 0.961 37 D HN 0.507 nan 8.370 nan 0.000 0.460 38 S N -0.084 115.612 115.700 -0.006 0.000 2.359 38 S HA -0.114 4.356 4.470 -0.001 0.000 0.224 38 S C 2.146 176.744 174.600 -0.004 0.000 1.035 38 S CA 0.726 58.922 58.200 -0.006 0.000 1.018 38 S CB -0.325 62.863 63.200 -0.021 0.000 0.876 38 S HN 0.193 nan 8.310 nan 0.000 0.448 39 L N 0.911 122.129 121.223 -0.009 0.000 2.017 39 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 39 L C 2.592 179.467 176.870 0.010 0.000 1.073 39 L CA 1.229 56.067 54.840 -0.003 0.000 0.745 39 L CB -0.607 41.447 42.059 -0.008 0.000 0.894 39 L HN 0.254 nan 8.230 nan 0.000 0.432 40 V N -0.476 119.443 119.914 0.008 0.000 2.343 40 V HA -0.315 3.805 4.120 -0.001 0.000 0.247 40 V C 2.423 178.524 176.094 0.012 0.000 1.051 40 V CA 1.722 64.030 62.300 0.014 0.000 1.036 40 V CB -0.541 31.288 31.823 0.010 0.000 0.654 40 V HN 0.513 nan 8.190 nan 0.000 0.451 41 Q N -0.554 119.252 119.800 0.010 0.000 2.167 41 Q HA -0.228 4.112 4.340 -0.001 0.000 0.202 41 Q C 2.419 178.428 176.000 0.014 0.000 0.970 41 Q CA 1.565 57.374 55.803 0.011 0.000 0.855 41 Q CB -0.134 28.611 28.738 0.013 0.000 0.911 41 Q HN 0.479 nan 8.270 nan 0.000 0.438 42 R N 0.043 120.553 120.500 0.018 0.000 2.112 42 R HA 0.056 4.395 4.340 -0.001 0.000 0.216 42 R C 1.012 177.333 176.300 0.036 0.000 1.080 42 R CA 1.471 57.586 56.100 0.025 0.000 0.996 42 R CB 0.133 30.447 30.300 0.023 0.000 0.902 42 R HN 0.108 nan 8.270 nan 0.000 0.449 43 A N -0.767 122.077 122.820 0.040 0.000 2.671 43 A HA 0.430 4.749 4.320 -0.001 0.000 0.265 43 A C 0.616 178.242 177.584 0.070 0.000 1.148 43 A CA -0.018 52.062 52.037 0.071 0.000 0.977 43 A CB 0.031 19.081 19.000 0.083 0.000 1.242 43 A HN 0.348 nan 8.150 nan 0.000 0.591 44 G N 0.356 109.178 108.800 0.036 0.000 2.474 44 G HA2 0.374 4.333 3.960 -0.001 0.000 0.233 44 G HA3 0.374 4.333 3.960 -0.001 0.000 0.233 44 G C -0.126 174.775 174.900 0.003 0.000 1.278 44 G CA 0.315 45.433 45.100 0.030 0.000 0.861 44 G HN 0.352 nan 8.290 nan 0.000 0.567 45 I N 1.066 121.648 120.570 0.021 0.000 2.493 45 I HA 0.482 4.651 4.170 -0.001 0.000 0.298 45 I C -0.046 176.065 176.117 -0.010 0.000 0.998 45 I CA -0.542 60.743 61.300 -0.025 0.000 1.137 45 I CB 1.866 39.923 38.000 0.096 0.000 1.310 45 I HN 0.224 nan 8.210 nan 0.000 0.445 46 I N 3.082 123.614 120.570 -0.063 0.000 2.769 46 I HA 0.239 4.408 4.170 -0.001 0.000 0.298 46 I C -0.081 176.018 176.117 -0.031 0.000 1.128 46 I CA -0.615 60.669 61.300 -0.027 0.000 1.031 46 I CB 2.375 40.350 38.000 -0.042 0.000 1.235 46 I HN 0.446 nan 8.210 nan 0.000 0.423 47 S N 3.023 118.715 115.700 -0.014 0.000 2.558 47 S HA 0.316 4.785 4.470 -0.001 0.000 0.288 47 S C 0.472 175.052 174.600 -0.033 0.000 1.318 47 S CA -0.454 57.738 58.200 -0.013 0.000 1.056 47 S CB 0.880 64.052 63.200 -0.047 0.000 0.853 47 S HN 0.654 nan 8.310 nan 0.000 0.505 68 I N 3.189 123.854 120.570 0.158 0.000 2.315 68 I HA 0.413 4.583 4.170 -0.001 0.000 0.291 68 I C 0.593 176.816 176.117 0.176 0.000 1.006 68 I CA -0.299 61.076 61.300 0.126 0.000 1.265 68 I CB 1.692 39.753 38.000 0.102 0.000 1.387 68 I HN 0.195 nan 8.210 nan 0.000 0.475 69 T N 5.138 119.685 114.554 -0.012 0.000 2.932 69 T HA 0.823 5.172 4.350 -0.001 0.000 0.289 69 T C -0.308 174.213 174.700 -0.299 0.000 1.039 69 T CA -0.740 61.209 62.100 -0.253 0.000 1.024 69 T CB 2.270 71.030 68.868 -0.180 0.000 1.090 69 T HN 0.510 nan 8.240 nan 0.000 0.496 70 I N -2.175 118.140 120.570 -0.425 0.000 3.264 70 I HA 0.673 4.843 4.170 -0.001 0.000 0.315 70 I C -0.684 175.260 176.117 -0.288 0.000 1.154 70 I CA -1.706 59.400 61.300 -0.322 0.000 0.962 70 I CB 2.222 40.041 38.000 -0.302 0.000 1.265 70 I HN 0.710 nan 8.210 nan 0.000 0.463 71 K N 2.013 122.274 120.400 -0.233 0.000 2.297 71 K HA 0.220 4.539 4.320 -0.001 0.000 0.286 71 K C 0.011 176.499 176.600 -0.187 0.000 1.053 71 K CA -0.160 56.014 56.287 -0.188 0.000 0.940 71 K CB 1.061 33.467 32.500 -0.156 0.000 1.019 71 K HN 0.712 nan 8.250 nan 0.000 0.475 72 S N 3.077 118.678 115.700 -0.166 0.000 2.596 72 S HA -0.016 4.453 4.470 -0.001 0.000 0.298 72 S C 0.335 174.856 174.600 -0.132 0.000 1.255 72 S CA 0.047 58.161 58.200 -0.143 0.000 1.083 72 S CB 0.190 63.327 63.200 -0.106 0.000 0.837 72 S HN 0.755 nan 8.310 nan 0.000 0.499 73 T N 3.896 118.362 114.554 -0.146 0.000 2.964 73 T HA 0.538 4.888 4.350 -0.001 0.000 0.249 73 T C 0.151 174.762 174.700 -0.148 0.000 1.000 73 T CA 0.407 62.401 62.100 -0.175 0.000 0.992 73 T CB 0.522 69.230 68.868 -0.268 0.000 1.087 73 T HN 0.822 nan 8.240 nan 0.000 0.489 74 A N 0.949 123.710 122.820 -0.098 0.000 2.589 74 A HA 0.769 5.089 4.320 -0.001 0.000 0.296 74 A C -1.897 175.683 177.584 -0.006 0.000 1.062 74 A CA -0.779 51.232 52.037 -0.044 0.000 0.686 74 A CB 1.048 20.034 19.000 -0.023 0.000 1.282 74 A HN 0.269 nan 8.150 nan 0.000 0.404 75 I N 0.801 121.380 120.570 0.015 0.000 2.608 75 I HA 0.481 4.651 4.170 -0.001 0.000 0.295 75 I C 0.002 176.154 176.117 0.058 0.000 1.049 75 I CA -0.663 60.658 61.300 0.034 0.000 1.063 75 I CB 2.504 40.517 38.000 0.022 0.000 1.248 75 I HN 0.511 nan 8.210 nan 0.000 0.424 76 S N 5.235 120.982 115.700 0.079 0.000 2.489 76 S HA 0.697 5.166 4.470 -0.001 0.000 0.291 76 S C -0.598 174.072 174.600 0.117 0.000 1.151 76 S CA -0.536 57.729 58.200 0.108 0.000 1.082 76 S CB 1.321 64.603 63.200 0.135 0.000 1.019 76 S HN 0.207 nan 8.310 nan 0.000 0.492 77 L N 2.589 123.892 121.223 0.134 0.000 2.341 77 L HA 0.585 4.925 4.340 -0.001 0.000 0.267 77 L C -0.888 176.124 176.870 0.237 0.000 1.009 77 L CA -0.723 54.203 54.840 0.144 0.000 0.819 77 L CB 1.209 43.321 42.059 0.088 0.000 1.323 77 L HN 0.732 nan 8.230 nan 0.000 0.425 78 Y N 0.987 121.360 120.300 0.120 0.000 2.391 78 Y HA 0.719 5.269 4.550 -0.001 0.000 0.341 78 Y C -0.575 175.417 175.900 0.154 0.000 0.965 78 Y CA -0.331 57.880 58.100 0.186 0.000 1.067 78 Y CB 2.000 40.628 38.460 0.280 0.000 1.199 78 Y HN 0.562 nan 8.280 nan 0.000 0.450 79 S N 4.513 119.912 115.700 -0.502 0.000 2.536 79 S HA 0.545 5.015 4.470 -0.001 0.000 0.271 79 S C -1.866 172.556 174.600 -0.297 0.000 1.134 79 S CA -0.721 57.311 58.200 -0.281 0.000 0.897 79 S CB 1.220 64.384 63.200 -0.061 0.000 1.094 79 S HN 0.765 nan 8.310 nan 0.000 0.473 80 E N 3.323 123.456 120.200 -0.111 0.000 2.210 80 E HA 0.479 4.828 4.350 -0.001 0.000 0.266 80 E C -0.792 175.860 176.600 0.086 0.000 0.883 80 E CA -0.897 55.509 56.400 0.010 0.000 0.761 80 E CB 1.650 31.375 29.700 0.040 0.000 1.156 80 E HN 0.475 nan 8.360 nan 0.000 0.412 81 M N 1.257 120.955 119.600 0.163 0.000 2.644 81 M HA 0.309 4.788 4.480 -0.001 0.000 0.316 81 M C 0.350 176.698 176.300 0.081 0.000 1.200 81 M CA -0.839 54.522 55.300 0.101 0.000 0.944 81 M CB 1.696 34.358 32.600 0.103 0.000 1.691 81 M HN 0.553 nan 8.290 nan 0.000 0.471 82 S N -0.140 115.587 115.700 0.045 0.000 2.593 82 S HA 0.133 4.603 4.470 -0.001 0.000 0.269 82 S C 0.613 175.235 174.600 0.038 0.000 1.334 82 S CA -0.434 57.787 58.200 0.035 0.000 1.015 82 S CB 0.759 63.970 63.200 0.019 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 0.030 0.000 2.158 83 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 83 D C 1.961 178.274 176.300 0.022 0.000 0.995 83 D CA 1.998 56.014 54.000 0.027 0.000 0.846 83 D CB -0.159 40.652 40.800 0.019 0.000 0.941 83 D HN 0.959 nan 8.370 nan 0.000 0.456 84 E N 1.125 121.334 120.200 0.015 0.000 2.047 84 E HA -0.180 4.170 4.350 -0.001 0.000 0.191 84 E C 1.440 178.042 176.600 0.003 0.000 0.987 84 E CA 1.090 57.495 56.400 0.008 0.000 0.799 84 E CB -0.138 29.564 29.700 0.005 0.000 0.752 84 E HN -0.005 nan 8.360 nan 0.000 0.449 85 D N 1.124 121.525 120.400 0.001 0.000 2.106 85 D HA -0.164 4.476 4.640 -0.001 0.000 0.191 85 D C 2.199 178.488 176.300 -0.018 0.000 0.997 85 D CA 1.697 55.687 54.000 -0.017 0.000 0.834 85 D CB -0.446 40.341 40.800 -0.022 0.000 0.956 85 D HN 0.117 nan 8.370 nan 0.000 0.448 86 V N 0.832 120.762 119.914 0.025 0.000 2.546 86 V HA -0.246 3.874 4.120 -0.001 0.000 0.254 86 V C 2.216 178.328 176.094 0.031 0.000 1.076 86 V CA 1.501 63.839 62.300 0.063 0.000 1.087 86 V CB -0.386 31.512 31.823 0.126 0.000 0.674 86 V HN 0.231 nan 8.190 nan 0.000 0.470 87 K N -0.350 120.058 120.400 0.014 0.000 2.217 87 K HA -0.121 4.199 4.320 -0.001 0.000 0.202 87 K C 2.026 178.621 176.600 -0.008 0.000 1.051 87 K CA 1.090 57.381 56.287 0.007 0.000 0.952 87 K CB -0.080 32.423 32.500 0.006 0.000 0.736 87 K HN 0.568 nan 8.250 nan 0.000 0.453 88 E N 0.681 120.867 120.200 -0.024 0.000 2.347 88 E HA -0.036 4.313 4.350 -0.001 0.000 0.196 88 E C 0.113 176.671 176.600 -0.070 0.000 1.008 88 E CA 0.171 56.546 56.400 -0.043 0.000 0.852 88 E CB 0.053 29.721 29.700 -0.053 0.000 0.783 88 E HN 0.265 nan 8.360 nan 0.000 0.505 89 I N 2.563 123.087 120.570 -0.077 0.000 2.671 89 I HA -0.075 4.094 4.170 -0.001 0.000 0.285 89 I C 0.678 176.768 176.117 -0.046 0.000 1.148 89 I CA 0.510 61.752 61.300 -0.096 0.000 1.386 89 I CB 0.312 38.269 38.000 -0.072 0.000 1.406 89 I HN -0.173 nan 8.210 nan 0.000 0.540 90 K N 7.625 127.997 120.400 -0.047 0.000 3.225 90 K HA 0.022 4.342 4.320 -0.001 0.000 0.282 90 K C -0.024 176.580 176.600 0.007 0.000 1.060 90 K CA 0.006 56.287 56.287 -0.010 0.000 1.186 90 K CB -0.268 32.235 32.500 0.004 0.000 1.214 90 K HN 0.636 nan 8.250 nan 0.000 0.428 91 Q N -1.209 118.596 119.800 0.009 0.000 2.527 91 Q HA 0.223 4.562 4.340 -0.001 0.000 0.280 91 Q C -1.345 174.676 176.000 0.036 0.000 0.977 91 Q CA -1.113 54.707 55.803 0.028 0.000 0.837 91 Q CB 0.926 29.684 28.738 0.033 0.000 1.454 91 Q HN -0.118 nan 8.270 nan 0.000 0.387 92 K N 1.493 121.916 120.400 0.038 0.000 2.441 92 K HA 0.026 4.345 4.320 -0.001 0.000 0.273 92 K C -1.011 175.620 176.600 0.052 0.000 1.090 92 K CA 1.166 57.475 56.287 0.036 0.000 1.158 92 K CB 0.142 32.659 32.500 0.029 0.000 0.847 92 K HN 0.580 nan 8.250 nan 0.000 0.483 93 T N 3.277 117.861 114.554 0.050 0.000 2.876 93 T HA 0.151 4.500 4.350 -0.001 0.000 0.289 93 T C -1.158 173.549 174.700 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 0.478 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 -0.001 0.000 0.276 94 D C 0.487 176.705 176.300 -0.138 0.000 1.196 94 D CA 0.421 54.377 54.000 -0.072 0.000 0.905 94 D CB -0.064 40.696 40.800 -0.067 0.000 1.081 94 D HN 1.000 nan 8.370 nan 0.000 0.502 95 G N 2.864 111.595 108.800 -0.114 0.000 2.610 95 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.304 95 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.304 95 G C 0.273 175.044 174.900 -0.215 0.000 1.309 95 G CA -0.594 44.420 45.100 -0.144 0.000 0.906 95 G HN 0.365 nan 8.290 nan 0.000 0.521 96 N N -0.101 118.480 118.700 -0.199 0.000 2.203 96 N HA 0.294 5.034 4.740 -0.001 0.000 0.207 96 N C 0.371 175.681 175.510 -0.334 0.000 1.130 96 N CA 0.603 53.560 53.050 -0.155 0.000 0.861 96 N CB 0.932 39.417 38.487 -0.003 0.000 1.005 96 N HN 0.507 nan 8.380 nan 0.000 0.507 97 S N 0.363 115.733 115.700 -0.549 0.000 2.541 97 S HA 0.585 5.055 4.470 -0.001 0.000 0.283 97 S C -0.701 173.329 174.600 -0.950 0.000 1.196 97 S CA -0.333 57.551 58.200 -0.528 0.000 1.062 97 S CB 0.779 63.876 63.200 -0.172 0.000 1.009 97 S HN 0.037 nan 8.310 nan 0.000 0.502 98 F N 1.673 121.459 119.950 -0.272 0.000 2.578 98 F HA 0.545 5.072 4.527 -0.001 0.000 0.311 98 F C -0.576 175.158 175.800 -0.110 0.000 1.094 98 F CA -0.977 56.931 58.000 -0.154 0.000 0.923 98 F CB 1.417 40.333 39.000 -0.140 0.000 1.230 98 F HN 0.311 nan 8.300 nan 0.000 0.450 99 L N 4.680 125.991 121.223 0.146 0.000 2.305 99 L HA 0.696 5.036 4.340 -0.001 0.000 0.284 99 L C -1.213 175.739 176.870 0.136 0.000 1.013 99 L CA -0.374 54.561 54.840 0.158 0.000 0.819 99 L CB 0.839 42.977 42.059 0.132 0.000 1.227 99 L HN 0.504 nan 8.230 nan 0.000 0.417 100 I N 4.735 125.381 120.570 0.127 0.000 2.389 100 I HA 0.352 4.522 4.170 -0.001 0.000 0.288 100 I C -0.442 175.725 176.117 0.084 0.000 0.999 100 I CA -0.427 60.926 61.300 0.089 0.000 1.129 100 I CB 1.381 39.418 38.000 0.061 0.000 1.288 100 I HN 0.632 nan 8.210 nan 0.000 0.444 101 N N 6.423 125.166 118.700 0.073 0.000 2.462 101 N HA 0.334 5.074 4.740 -0.001 0.000 0.242 101 N C -0.885 174.657 175.510 0.053 0.000 1.010 101 N CA -0.564 52.529 53.050 0.072 0.000 0.939 101 N CB 1.169 39.706 38.487 0.082 0.000 1.127 101 N HN 0.367 nan 8.380 nan 0.000 0.509 102 L N 4.830 126.078 121.223 0.041 0.000 2.282 102 L HA 0.415 4.754 4.340 -0.001 0.000 0.287 102 L C -0.830 176.048 176.870 0.014 0.000 1.075 102 L CA -0.221 54.632 54.840 0.021 0.000 0.839 102 L CB 0.039 42.105 42.059 0.012 0.000 1.219 102 L HN 0.495 nan 8.230 nan 0.000 0.434 103 I N 3.578 124.158 120.570 0.016 0.000 2.365 103 I HA 0.163 4.333 4.170 -0.001 0.000 0.291 103 I C 0.199 176.302 176.117 -0.024 0.000 1.004 103 I CA -0.626 60.677 61.300 0.004 0.000 1.311 103 I CB 1.111 39.137 38.000 0.043 0.000 1.401 103 I HN 0.517 nan 8.210 nan 0.000 0.491 104 D N 4.911 125.280 120.400 -0.052 0.000 2.414 104 D HA 0.195 4.835 4.640 -0.001 0.000 0.242 104 D C -0.468 175.794 176.300 -0.063 0.000 1.129 104 D CA 0.209 54.171 54.000 -0.063 0.000 0.885 104 D CB 0.804 41.556 40.800 -0.080 0.000 1.198 104 D HN 0.550 nan 8.370 nan 0.000 0.437 105 S N 2.339 117.997 115.700 -0.071 0.000 2.526 105 S HA 0.718 5.188 4.470 -0.001 0.000 0.293 105 S C -2.623 171.901 174.600 -0.127 0.000 1.092 105 S CA -1.407 56.739 58.200 -0.089 0.000 0.980 105 S CB 1.629 64.774 63.200 -0.091 0.000 1.048 105 S HN 0.251 nan 8.310 nan 0.000 0.483 106 P HA 0.250 nan 4.420 nan 0.000 0.271 106 P C 0.914 178.021 177.300 -0.321 0.000 1.233 106 P CA -0.170 62.779 63.100 -0.253 0.000 0.795 106 P CB 0.186 31.600 31.700 -0.478 0.000 0.936 107 G N -1.058 107.600 108.800 -0.236 0.000 3.126 107 G HA2 0.017 3.977 3.960 -0.001 0.000 0.224 107 G HA3 0.017 3.977 3.960 -0.001 0.000 0.224 107 G C -0.215 174.574 174.900 -0.185 0.000 1.142 107 G CA 0.053 45.042 45.100 -0.185 0.000 0.759 107 G HN 0.703 nan 8.290 nan 0.000 0.550 108 H N -0.307 118.704 119.070 -0.098 0.000 2.742 108 H HA 0.495 5.051 4.556 -0.001 0.000 0.302 108 H C -0.374 174.852 175.328 -0.169 0.000 1.069 108 H CA -1.011 54.970 56.048 -0.112 0.000 1.446 108 H CB 1.425 31.148 29.762 -0.065 0.000 1.462 108 H HN -0.014 nan 8.280 nan 0.000 0.499 109 V N 1.535 121.338 119.914 -0.185 0.000 2.260 109 V HA 0.230 4.349 4.120 -0.001 0.000 0.263 109 V C -0.446 175.416 176.094 -0.387 0.000 1.036 109 V CA -0.710 61.407 62.300 -0.304 0.000 0.874 109 V CB 0.023 31.650 31.823 -0.327 0.000 1.116 109 V HN 0.998 nan 8.190 nan 0.000 0.454 110 D N 0.749 120.912 120.400 -0.395 0.000 2.571 110 D HA 0.318 4.957 4.640 -0.001 0.000 0.239 110 D C 0.269 176.273 176.300 -0.495 0.000 1.267 110 D CA -0.834 52.796 54.000 -0.617 0.000 0.823 110 D CB -0.115 40.431 40.800 -0.422 0.000 1.056 110 D HN 0.267 nan 8.370 nan 0.000 0.494 111 F N 0.553 120.276 119.950 -0.378 0.000 3.080 111 F HA -0.293 4.234 4.527 -0.001 0.000 0.292 111 F C 0.718 176.446 175.800 -0.120 0.000 0.891 111 F CA 0.506 58.392 58.000 -0.191 0.000 1.086 111 F CB -2.123 36.804 39.000 -0.121 0.000 1.095 111 F HN 0.221 nan 8.300 nan 0.000 0.633 112 S N -0.437 115.277 115.700 0.023 0.000 2.593 112 S HA 0.356 4.826 4.470 -0.001 0.000 0.269 112 S C 1.265 175.928 174.600 0.106 0.000 1.334 112 S CA -0.155 58.094 58.200 0.082 0.000 1.015 112 S CB 1.697 65.022 63.200 0.209 0.000 0.912 112 S HN 0.525 nan 8.310 nan 0.000 0.541 113 S N 0.454 116.216 115.700 0.105 0.000 2.527 113 S HA -0.006 4.463 4.470 -0.001 0.000 0.222 113 S C 1.164 175.840 174.600 0.127 0.000 0.985 113 S CA 0.043 58.307 58.200 0.106 0.000 0.921 113 S CB -0.408 62.846 63.200 0.091 0.000 0.772 113 S HN 0.766 nan 8.310 nan 0.000 0.529 114 E N 1.771 122.077 120.200 0.176 0.000 2.107 114 E HA 0.022 4.372 4.350 -0.001 0.000 0.191 114 E C 2.188 178.868 176.600 0.133 0.000 0.982 114 E CA 0.728 57.249 56.400 0.202 0.000 0.809 114 E CB -0.814 29.093 29.700 0.346 0.000 0.756 114 E HN 0.485 nan 8.360 nan 0.000 0.459 115 V N 1.675 121.634 119.914 0.076 0.000 2.323 115 V HA -0.189 3.930 4.120 -0.001 0.000 0.244 115 V C 2.371 178.475 176.094 0.016 0.000 1.041 115 V CA 2.085 64.359 62.300 -0.043 0.000 1.025 115 V CB -0.968 30.771 31.823 -0.140 0.000 0.656 115 V HN 0.250 nan 8.190 nan 0.000 0.451 116 T N 0.572 115.157 114.554 0.052 0.000 2.737 116 T HA -0.218 4.132 4.350 -0.001 0.000 0.269 116 T C 2.033 176.796 174.700 0.105 0.000 1.040 116 T CA 1.730 63.875 62.100 0.074 0.000 1.142 116 T CB -0.422 68.500 68.868 0.090 0.000 0.861 116 T HN 0.576 nan 8.240 nan 0.000 0.456 117 A N 1.312 124.210 122.820 0.130 0.000 1.902 117 A HA 0.167 4.487 4.320 -0.001 0.000 0.217 117 A C 2.653 180.348 177.584 0.185 0.000 1.181 117 A CA 1.817 53.964 52.037 0.183 0.000 0.623 117 A CB -1.094 18.016 19.000 0.183 0.000 0.818 117 A HN 0.512 nan 8.150 nan 0.000 0.443 118 A N -0.325 122.571 122.820 0.127 0.000 1.902 118 A HA -0.015 4.304 4.320 -0.001 0.000 0.217 118 A C 2.156 179.802 177.584 0.103 0.000 1.181 118 A CA 1.480 53.581 52.037 0.107 0.000 0.623 118 A CB -0.580 18.440 19.000 0.033 0.000 0.818 118 A HN 0.469 nan 8.150 nan 0.000 0.443 119 L N -1.321 119.947 121.223 0.074 0.000 2.093 119 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 119 L C 2.681 179.605 176.870 0.091 0.000 1.085 119 L CA 1.421 56.298 54.840 0.062 0.000 0.755 119 L CB -0.421 41.658 42.059 0.034 0.000 0.904 119 L HN 0.417 nan 8.230 nan 0.000 0.435 120 R N 0.479 121.049 120.500 0.116 0.000 2.139 120 R HA -0.160 4.179 4.340 -0.001 0.000 0.243 120 R C 1.862 178.254 176.300 0.153 0.000 1.145 120 R CA 1.715 57.890 56.100 0.125 0.000 0.976 120 R CB -0.128 30.261 30.300 0.147 0.000 0.866 120 R HN 0.415 nan 8.270 nan 0.000 0.449 121 V N -1.754 118.270 119.914 0.183 0.000 3.633 121 V HA 0.164 4.283 4.120 -0.001 0.000 0.283 121 V C 0.476 176.646 176.094 0.127 0.000 1.305 121 V CA 0.380 62.785 62.300 0.176 0.000 1.153 121 V CB -0.435 31.545 31.823 0.262 0.000 0.950 121 V HN 0.308 nan 8.190 nan 0.000 0.432 122 T N -3.504 111.115 114.554 0.107 0.000 2.950 122 T HA 0.565 4.915 4.350 -0.001 0.000 0.288 122 T C 0.045 174.788 174.700 0.072 0.000 1.035 122 T CA -0.208 61.939 62.100 0.079 0.000 1.028 122 T CB 2.359 71.264 68.868 0.062 0.000 1.109 122 T HN 0.187 nan 8.240 nan 0.000 0.514 123 D N -0.027 120.409 120.400 0.061 0.000 2.473 123 D HA 0.263 4.902 4.640 -0.001 0.000 0.242 123 D C 0.850 177.185 176.300 0.058 0.000 1.106 123 D CA 0.189 54.230 54.000 0.068 0.000 0.854 123 D CB 0.881 41.721 40.800 0.067 0.000 1.192 123 D HN 0.826 nan 8.370 nan 0.000 0.503 124 G N -0.053 108.770 108.800 0.040 0.000 2.642 124 G HA2 0.671 4.631 3.960 -0.001 0.000 0.293 124 G HA3 0.671 4.631 3.960 -0.001 0.000 0.293 124 G C -1.605 173.300 174.900 0.008 0.000 1.341 124 G CA -0.498 44.616 45.100 0.024 0.000 0.916 124 G HN 0.132 nan 8.290 nan 0.000 0.474 125 A N -0.166 122.650 122.820 -0.008 0.000 2.486 125 A HA 0.670 4.990 4.320 -0.001 0.000 0.300 125 A C -1.541 176.018 177.584 -0.042 0.000 1.048 125 A CA -0.614 51.410 52.037 -0.023 0.000 0.696 125 A CB 1.956 20.941 19.000 -0.025 0.000 1.278 125 A HN 1.489 nan 8.150 nan 0.000 0.405 126 L N 3.239 124.433 121.223 -0.048 0.000 2.264 126 L HA 0.592 4.931 4.340 -0.001 0.000 0.287 126 L C -0.874 175.955 176.870 -0.069 0.000 1.039 126 L CA -0.173 54.627 54.840 -0.067 0.000 0.829 126 L CB 0.873 42.893 42.059 -0.065 0.000 1.211 126 L HN 0.387 nan 8.230 nan 0.000 0.427 127 V N 6.128 125.994 119.914 -0.080 0.000 2.385 127 V HA 0.321 4.440 4.120 -0.001 0.000 0.269 127 V C 0.190 176.241 176.094 -0.072 0.000 1.043 127 V CA -0.630 61.629 62.300 -0.070 0.000 0.906 127 V CB 1.203 32.984 31.823 -0.070 0.000 0.995 127 V HN 0.499 nan 8.190 nan 0.000 0.467 128 V N 6.251 126.142 119.914 -0.038 0.000 2.432 128 V HA 0.455 4.574 4.120 -0.001 0.000 0.275 128 V C 0.048 176.173 176.094 0.052 0.000 1.043 128 V CA -0.318 61.972 62.300 -0.017 0.000 0.925 128 V CB 1.524 33.352 31.823 0.009 0.000 0.985 128 V HN 0.623 nan 8.190 nan 0.000 0.466 129 V N 3.412 123.334 119.914 0.013 0.000 2.735 129 V HA 0.374 4.494 4.120 -0.001 0.000 0.310 129 V C -0.459 175.608 176.094 -0.046 0.000 1.061 129 V CA -0.814 61.518 62.300 0.053 0.000 0.913 129 V CB 2.239 34.062 31.823 0.001 0.000 1.005 129 V HN 0.943 nan 8.190 nan 0.000 0.428 130 D N 2.188 122.473 120.400 -0.192 0.000 2.304 130 D HA 0.247 4.886 4.640 -0.001 0.000 0.250 130 D C 1.248 177.483 176.300 -0.108 0.000 1.107 130 D CA 0.253 54.053 54.000 -0.333 0.000 0.885 130 D CB 1.797 42.120 40.800 -0.795 0.000 1.192 130 D HN 0.602 nan 8.370 nan 0.000 0.436 131 T N 3.235 117.778 114.554 -0.019 0.000 2.635 131 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 131 T C 1.818 176.542 174.700 0.041 0.000 1.040 131 T CA 1.155 63.323 62.100 0.113 0.000 1.156 131 T CB -0.171 68.794 68.868 0.161 0.000 0.863 131 T HN 0.439 nan 8.240 nan 0.000 0.430 132 I N 0.481 121.038 120.570 -0.022 0.000 2.188 132 I HA -0.058 4.112 4.170 -0.001 0.000 0.237 132 I C 2.581 178.675 176.117 -0.038 0.000 1.073 132 I CA 1.207 62.490 61.300 -0.028 0.000 1.359 132 I CB -0.402 37.577 38.000 -0.034 0.000 1.083 132 I HN 0.257 nan 8.210 nan 0.000 0.412 133 E N 0.983 121.134 120.200 -0.082 0.000 2.265 133 E HA -0.001 4.348 4.350 -0.001 0.000 0.196 133 E C 1.253 177.842 176.600 -0.018 0.000 0.996 133 E CA 0.573 56.940 56.400 -0.056 0.000 0.832 133 E CB -0.168 29.487 29.700 -0.075 0.000 0.756 133 E HN 0.604 nan 8.360 nan 0.000 0.491 134 G N 0.602 109.388 108.800 -0.023 0.000 2.569 134 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.259 134 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.259 134 G C -0.058 174.882 174.900 0.066 0.000 1.263 134 G CA -0.262 44.851 45.100 0.023 0.000 0.928 134 G HN 0.139 nan 8.290 nan 0.000 0.572 135 V N 0.641 120.592 119.914 0.062 0.000 2.455 135 V HA 0.418 4.538 4.120 -0.001 0.000 0.273 135 V C 0.984 177.122 176.094 0.073 0.000 1.045 135 V CA -0.115 62.230 62.300 0.075 0.000 0.976 135 V CB 0.166 32.019 31.823 0.050 0.000 0.993 135 V HN 0.892 nan 8.190 nan 0.000 0.475 136 C N 3.847 123.197 119.300 0.083 0.000 2.401 136 C HA 0.416 4.875 4.460 -0.001 0.000 0.356 136 C C 2.052 177.120 174.990 0.130 0.000 1.192 136 C CA -0.245 58.820 59.018 0.078 0.000 2.028 136 C CB 1.575 29.286 27.740 -0.048 0.000 2.344 136 C HN 0.849 nan 8.230 nan 0.000 0.525 137 V N 0.504 120.501 119.914 0.139 0.000 2.317 137 V HA -0.307 3.813 4.120 -0.001 0.000 0.251 137 V C 1.968 178.111 176.094 0.081 0.000 1.065 137 V CA 2.204 64.578 62.300 0.123 0.000 1.049 137 V CB -1.234 30.676 31.823 0.144 0.000 0.651 137 V HN 0.976 nan 8.190 nan 0.000 0.450 138 Q N 0.171 120.026 119.800 0.091 0.000 2.096 138 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 138 Q C 2.431 178.369 176.000 -0.104 0.000 0.982 138 Q CA 2.557 58.292 55.803 -0.113 0.000 0.850 138 Q CB -0.319 28.136 28.738 -0.472 0.000 0.901 138 Q HN 0.832 nan 8.270 nan 0.000 0.422 139 T N 0.389 114.943 114.554 0.000 0.000 2.708 139 T HA -0.196 4.154 4.350 -0.001 0.000 0.266 139 T C 1.566 176.242 174.700 -0.041 0.000 1.037 139 T CA 1.457 63.544 62.100 -0.021 0.000 1.146 139 T CB -0.229 68.658 68.868 0.033 0.000 0.865 139 T HN 0.400 nan 8.240 nan 0.000 0.435 140 E N 0.413 120.607 120.200 -0.009 0.000 2.110 140 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 140 E C 2.079 178.633 176.600 -0.078 0.000 0.988 140 E CA 1.265 57.661 56.400 -0.008 0.000 0.804 140 E CB -0.068 29.662 29.700 0.050 0.000 0.745 140 E HN 0.379 nan 8.360 nan 0.000 0.458 141 T N 0.207 114.672 114.554 -0.148 0.000 2.708 141 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 141 T C 1.870 176.310 174.700 -0.433 0.000 1.037 141 T CA 1.378 63.227 62.100 -0.419 0.000 1.146 141 T CB -0.064 68.465 68.868 -0.564 0.000 0.865 141 T HN 0.041 nan 8.240 nan 0.000 0.435 142 V N 1.412 121.153 119.914 -0.289 0.000 2.488 142 V HA -0.026 4.094 4.120 -0.001 0.000 0.246 142 V C 2.348 178.357 176.094 -0.141 0.000 1.046 142 V CA 0.920 63.087 62.300 -0.222 0.000 1.053 142 V CB -0.625 31.086 31.823 -0.187 0.000 0.679 142 V HN 0.308 nan 8.190 nan 0.000 0.458 143 L N 0.740 121.895 121.223 -0.114 0.000 2.046 143 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 143 L C 2.538 179.362 176.870 -0.077 0.000 1.077 143 L CA 2.104 56.901 54.840 -0.073 0.000 0.747 143 L CB -0.826 41.204 42.059 -0.048 0.000 0.896 143 L HN 0.220 nan 8.230 nan 0.000 0.432 144 R N -0.944 119.478 120.500 -0.131 0.000 2.073 144 R HA -0.201 4.139 4.340 -0.001 0.000 0.234 144 R C 2.326 178.566 176.300 -0.099 0.000 1.134 144 R CA 1.990 57.947 56.100 -0.237 0.000 0.952 144 R CB -0.253 29.828 30.300 -0.366 0.000 0.850 144 R HN 0.560 nan 8.270 nan 0.000 0.433 145 Q N -0.461 119.323 119.800 -0.028 0.000 2.084 145 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 145 Q C 2.131 178.136 176.000 0.009 0.000 0.978 145 Q CA 1.618 57.440 55.803 0.031 0.000 0.844 145 Q CB -0.088 28.655 28.738 0.009 0.000 0.898 145 Q HN 0.457 nan 8.270 nan 0.000 0.426 146 A N 0.907 123.716 122.820 -0.018 0.000 1.865 146 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 146 A C 2.045 179.639 177.584 0.017 0.000 1.191 146 A CA 1.229 53.265 52.037 -0.002 0.000 0.623 146 A CB -0.829 18.161 19.000 -0.018 0.000 0.826 146 A HN 0.323 nan 8.150 nan 0.000 0.444 147 L N -0.566 120.666 121.223 0.015 0.000 2.127 147 L HA -0.162 4.178 4.340 -0.001 0.000 0.211 147 L C 2.671 179.575 176.870 0.055 0.000 1.089 147 L CA 0.986 55.851 54.840 0.042 0.000 0.757 147 L CB -0.739 41.364 42.059 0.072 0.000 0.899 147 L HN 0.516 nan 8.230 nan 0.000 0.434 148 G N -0.903 107.926 108.800 0.048 0.000 2.509 148 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.218 148 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.218 148 G C 1.248 176.178 174.900 0.050 0.000 1.124 148 G CA 0.240 45.374 45.100 0.056 0.000 0.776 148 G HN 0.271 nan 8.290 nan 0.000 0.547 149 E N 0.145 120.374 120.200 0.049 0.000 2.451 149 E HA 0.145 4.494 4.350 -0.001 0.000 0.194 149 E C 0.496 177.136 176.600 0.066 0.000 1.027 149 E CA -0.460 55.971 56.400 0.052 0.000 0.914 149 E CB 0.122 29.853 29.700 0.052 0.000 1.054 149 E HN 0.347 nan 8.360 nan 0.000 0.461 150 R N 0.499 121.037 120.500 0.064 0.000 3.416 150 R HA -0.179 4.160 4.340 -0.001 0.000 0.263 150 R C -0.198 176.150 176.300 0.080 0.000 1.053 150 R CA 0.400 56.543 56.100 0.072 0.000 0.705 150 R CB -2.066 28.297 30.300 0.103 0.000 1.124 150 R HN 0.213 nan 8.270 nan 0.000 0.444 151 I N 0.718 121.323 120.570 0.058 0.000 2.440 151 I HA 0.158 4.327 4.170 -0.001 0.000 0.294 151 I C 0.809 176.946 176.117 0.033 0.000 0.995 151 I CA -0.393 60.937 61.300 0.051 0.000 1.306 151 I CB 1.329 39.350 38.000 0.036 0.000 1.407 151 I HN 0.021 nan 8.210 nan 0.000 0.501 152 K N 7.923 128.343 120.400 0.033 0.000 2.201 152 K HA 0.453 4.773 4.320 -0.001 0.000 0.278 152 K C -2.530 174.067 176.600 -0.005 0.000 1.027 152 K CA -1.515 54.781 56.287 0.014 0.000 0.909 152 K CB 1.225 33.740 32.500 0.025 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 -1.250 176.002 177.300 -0.079 0.000 1.283 153 P CA -0.669 62.401 63.100 -0.050 0.000 0.869 153 P CB 1.926 33.594 31.700 -0.054 0.000 1.100 154 V N 2.023 121.879 119.914 -0.096 0.000 2.851 154 V HA 0.289 4.409 4.120 -0.001 0.000 0.307 154 V C -0.325 175.676 176.094 -0.155 0.000 1.129 154 V CA -0.726 61.492 62.300 -0.136 0.000 0.932 154 V CB 2.699 34.458 31.823 -0.106 0.000 1.024 154 V HN 0.269 nan 8.190 nan 0.000 0.426 155 V N 5.044 124.831 119.914 -0.212 0.000 2.769 155 V HA 0.675 4.794 4.120 -0.001 0.000 0.312 155 V C -0.667 175.242 176.094 -0.308 0.000 1.058 155 V CA -0.574 61.586 62.300 -0.233 0.000 0.952 155 V CB 2.236 33.910 31.823 -0.248 0.000 1.019 155 V HN 0.582 nan 8.190 nan 0.000 0.445 156 V N 4.779 124.528 119.914 -0.275 0.000 2.482 156 V HA 0.444 4.564 4.120 -0.001 0.000 0.295 156 V C -0.361 175.563 176.094 -0.283 0.000 1.026 156 V CA -0.333 61.776 62.300 -0.318 0.000 0.856 156 V CB 1.714 33.404 31.823 -0.221 0.000 1.001 156 V HN 0.663 nan 8.190 nan 0.000 0.424 157 I N 4.593 124.930 120.570 -0.389 0.000 2.308 157 I HA 0.260 4.430 4.170 -0.001 0.000 0.293 157 I C 0.410 176.449 176.117 -0.131 0.000 1.078 157 I CA 0.126 61.289 61.300 -0.229 0.000 1.292 157 I CB 0.634 38.471 38.000 -0.272 0.000 1.423 157 I HN 0.596 nan 8.210 nan 0.000 0.493 158 N N 4.654 123.300 118.700 -0.089 0.000 2.447 158 N HA 0.224 4.964 4.740 -0.001 0.000 0.271 158 N C 0.146 175.632 175.510 -0.041 0.000 1.226 158 N CA -0.311 52.694 53.050 -0.075 0.000 0.980 158 N CB 0.704 39.143 38.487 -0.081 0.000 1.206 158 N HN 0.294 nan 8.380 nan 0.000 0.558 159 K N -0.818 119.548 120.400 -0.056 0.000 3.160 159 K HA -0.139 4.181 4.320 -0.001 0.000 0.280 159 K C 0.667 177.276 176.600 0.014 0.000 1.154 159 K CA 0.651 56.908 56.287 -0.050 0.000 0.822 159 K CB -1.862 30.595 32.500 -0.072 0.000 1.239 159 K HN 0.326 nan 8.250 nan 0.000 0.489 160 V N 0.161 120.119 119.914 0.073 0.000 2.469 160 V HA -0.329 3.790 4.120 -0.001 0.000 0.251 160 V C 2.065 178.238 176.094 0.133 0.000 1.064 160 V CA 2.346 64.754 62.300 0.180 0.000 1.066 160 V CB -0.571 31.428 31.823 0.292 0.000 0.667 160 V HN 0.679 nan 8.190 nan 0.000 0.461 161 D N -0.121 120.331 120.400 0.087 0.000 2.182 161 D HA -0.240 4.400 4.640 -0.001 0.000 0.201 161 D C 2.169 178.515 176.300 0.077 0.000 0.986 161 D CA 1.145 55.211 54.000 0.110 0.000 0.847 161 D CB -0.315 40.469 40.800 -0.027 0.000 0.942 161 D HN 0.289 nan 8.370 nan 0.000 0.467 162 R N 0.244 120.762 120.500 0.031 0.000 2.081 162 R HA -0.016 4.323 4.340 -0.001 0.000 0.235 162 R C 2.447 178.771 176.300 0.040 0.000 1.131 162 R CA 1.303 57.420 56.100 0.028 0.000 0.960 162 R CB -0.460 29.843 30.300 0.004 0.000 0.856 162 R HN 0.372 nan 8.270 nan 0.000 0.436 163 A N 0.878 123.724 122.820 0.043 0.000 2.015 163 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 163 A C 2.133 179.738 177.584 0.035 0.000 1.163 163 A CA 0.994 53.049 52.037 0.031 0.000 0.646 163 A CB -0.256 18.754 19.000 0.017 0.000 0.806 163 A HN 0.163 nan 8.150 nan 0.000 0.448 164 L N -1.626 119.624 121.223 0.045 0.000 2.168 164 L HA 0.001 4.341 4.340 -0.001 0.000 0.203 164 L C 2.262 179.166 176.870 0.057 0.000 1.078 164 L CA 0.287 55.140 54.840 0.021 0.000 0.780 164 L CB -0.455 41.582 42.059 -0.037 0.000 0.939 164 L HN 0.235 nan 8.230 nan 0.000 0.451 165 L N -0.100 121.178 121.223 0.092 0.000 2.084 165 L HA -0.030 4.310 4.340 -0.001 0.000 0.202 165 L C 2.422 179.335 176.870 0.073 0.000 1.074 165 L CA 1.622 56.523 54.840 0.100 0.000 0.757 165 L CB -0.717 41.424 42.059 0.138 0.000 0.918 165 L HN 0.162 nan 8.230 nan 0.000 0.444 166 E N -0.759 119.478 120.200 0.061 0.000 2.014 166 E HA -0.120 4.230 4.350 -0.001 0.000 0.190 166 E C 1.913 178.537 176.600 0.038 0.000 0.980 166 E CA 0.699 57.127 56.400 0.047 0.000 0.807 166 E CB -0.176 29.547 29.700 0.038 0.000 0.770 166 E HN 0.121 nan 8.360 nan 0.000 0.451 167 L N 1.068 122.311 121.223 0.033 0.000 2.465 167 L HA -0.050 4.290 4.340 -0.001 0.000 0.224 167 L C 0.627 177.516 176.870 0.030 0.000 1.145 167 L CA 1.104 55.960 54.840 0.027 0.000 0.834 167 L CB -0.607 41.463 42.059 0.018 0.000 0.944 167 L HN 0.163 nan 8.230 nan 0.000 0.451 168 Q N -1.560 118.262 119.800 0.038 0.000 2.422 168 Q HA -0.219 4.121 4.340 -0.001 0.000 0.245 168 Q C 0.279 176.307 176.000 0.047 0.000 0.922 168 Q CA 0.345 56.175 55.803 0.044 0.000 1.192 168 Q CB -2.239 26.524 28.738 0.042 0.000 1.641 168 Q HN 0.324 nan 8.270 nan 0.000 0.552 169 V N 1.379 121.316 119.914 0.037 0.000 3.083 169 V HA -0.047 4.073 4.120 -0.001 0.000 0.303 169 V C 1.164 177.295 176.094 0.063 0.000 1.151 169 V CA 0.990 63.309 62.300 0.033 0.000 1.275 169 V CB 0.962 32.789 31.823 0.006 0.000 0.950 169 V HN 0.451 nan 8.190 nan 0.000 0.506 170 S N 2.997 118.727 115.700 0.049 0.000 2.672 170 S HA 0.388 4.858 4.470 -0.001 0.000 0.276 170 S C 0.718 175.354 174.600 0.059 0.000 1.207 170 S CA -0.705 57.533 58.200 0.064 0.000 1.002 170 S CB 1.314 64.533 63.200 0.031 0.000 0.998 170 S HN 0.615 nan 8.310 nan 0.000 0.542 171 K N 0.592 121.017 120.400 0.041 0.000 2.020 171 K HA -0.188 4.131 4.320 -0.001 0.000 0.212 171 K C 2.016 178.628 176.600 0.020 0.000 1.050 171 K CA 1.953 58.237 56.287 -0.004 0.000 0.929 171 K CB -0.338 32.052 32.500 -0.184 0.000 0.714 171 K HN 0.750 nan 8.250 nan 0.000 0.443 172 E N 1.237 121.443 120.200 0.009 0.000 2.204 172 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 172 E C 1.307 177.956 176.600 0.082 0.000 0.989 172 E CA 1.416 57.849 56.400 0.055 0.000 0.824 172 E CB -0.038 29.675 29.700 0.021 0.000 0.756 172 E HN 0.201 nan 8.360 nan 0.000 0.477 173 D N -0.325 120.091 120.400 0.027 0.000 2.123 173 D HA -0.118 4.521 4.640 -0.001 0.000 0.200 173 D C 1.867 178.124 176.300 -0.071 0.000 0.976 173 D CA 0.573 54.570 54.000 -0.004 0.000 0.831 173 D CB -0.250 40.545 40.800 -0.008 0.000 0.974 173 D HN 0.211 nan 8.370 nan 0.000 0.469 174 L N 0.466 121.623 121.223 -0.109 0.000 2.017 174 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 174 L C 2.247 178.828 176.870 -0.481 0.000 1.073 174 L CA 1.509 56.143 54.840 -0.343 0.000 0.745 174 L CB -1.045 40.851 42.059 -0.271 0.000 0.894 174 L HN 0.010 nan 8.230 nan 0.000 0.432 175 Y N 0.219 120.371 120.300 -0.246 0.000 2.053 175 Y HA -0.329 4.221 4.550 -0.001 0.000 0.277 175 Y C 2.608 178.497 175.900 -0.019 0.000 1.159 175 Y CA 2.302 60.350 58.100 -0.086 0.000 1.125 175 Y CB -0.539 37.898 38.460 -0.038 0.000 0.969 175 Y HN 0.298 nan 8.280 nan 0.000 0.492 176 Q N -0.220 119.501 119.800 -0.132 0.000 2.112 176 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 176 Q C 2.241 178.149 176.000 -0.154 0.000 0.987 176 Q CA 2.349 58.055 55.803 -0.163 0.000 0.858 176 Q CB -1.054 27.685 28.738 0.001 0.000 0.905 176 Q HN 0.567 nan 8.270 nan 0.000 0.420 177 T N 1.035 115.504 114.554 -0.141 0.000 2.708 177 T HA -0.104 4.246 4.350 -0.001 0.000 0.266 177 T C 1.575 176.312 174.700 0.061 0.000 1.037 177 T CA 1.059 63.115 62.100 -0.073 0.000 1.146 177 T CB -0.282 68.510 68.868 -0.126 0.000 0.865 177 T HN 0.108 nan 8.240 nan 0.000 0.435 178 F N 1.880 121.810 119.950 -0.034 0.000 2.095 178 F HA 0.030 4.556 4.527 -0.001 0.000 0.298 178 F C 2.746 178.530 175.800 -0.027 0.000 1.104 178 F CA 0.271 58.302 58.000 0.052 0.000 1.232 178 F CB -1.499 37.589 39.000 0.147 0.000 0.987 178 F HN 0.160 nan 8.300 nan 0.000 0.475 179 A N -0.020 122.783 122.820 -0.028 0.000 1.933 179 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 179 A C 2.395 179.970 177.584 -0.014 0.000 1.175 179 A CA 1.423 53.402 52.037 -0.096 0.000 0.628 179 A CB -0.604 18.189 19.000 -0.345 0.000 0.814 179 A HN 0.310 nan 8.150 nan 0.000 0.444 180 R N -1.141 119.353 120.500 -0.011 0.000 2.090 180 R HA -0.055 4.285 4.340 -0.001 0.000 0.228 180 R C 2.149 178.466 176.300 0.028 0.000 1.110 180 R CA 1.633 57.739 56.100 0.010 0.000 0.973 180 R CB -0.608 29.697 30.300 0.007 0.000 0.869 180 R HN 0.498 nan 8.270 nan 0.000 0.440 181 T N 0.788 115.375 114.554 0.056 0.000 2.821 181 T HA -0.068 4.282 4.350 -0.001 0.000 0.267 181 T C 1.950 176.661 174.700 0.017 0.000 1.046 181 T CA 1.049 63.179 62.100 0.050 0.000 1.139 181 T CB -0.045 68.876 68.868 0.088 0.000 0.871 181 T HN -0.010 nan 8.240 nan 0.000 0.454 182 V N 1.379 121.305 119.914 0.019 0.000 2.515 182 V HA -0.080 4.039 4.120 -0.001 0.000 0.250 182 V C 2.680 178.753 176.094 -0.035 0.000 1.058 182 V CA 1.342 63.627 62.300 -0.025 0.000 1.064 182 V CB -0.418 31.406 31.823 0.002 0.000 0.675 182 V HN 0.362 nan 8.190 nan 0.000 0.461 183 E N 0.333 120.529 120.200 -0.007 0.000 2.072 183 E HA -0.114 4.236 4.350 -0.001 0.000 0.190 183 E C 2.494 179.091 176.600 -0.006 0.000 0.982 183 E CA 1.365 57.761 56.400 -0.006 0.000 0.803 183 E CB -0.139 29.568 29.700 0.012 0.000 0.755 183 E HN 0.573 nan 8.360 nan 0.000 0.453 184 S N 0.243 115.946 115.700 0.005 0.000 2.370 184 S HA -0.132 4.338 4.470 -0.001 0.000 0.226 184 S C 2.171 176.776 174.600 0.009 0.000 1.033 184 S CA 1.207 59.415 58.200 0.014 0.000 1.011 184 S CB -0.231 62.983 63.200 0.023 0.000 0.852 184 S HN 0.081 nan 8.310 nan 0.000 0.457 185 V N 2.814 122.721 119.914 -0.011 0.000 2.358 185 V HA -0.111 4.009 4.120 -0.001 0.000 0.246 185 V C 1.803 177.876 176.094 -0.034 0.000 1.047 185 V CA 1.433 63.719 62.300 -0.024 0.000 1.035 185 V CB -0.664 31.124 31.823 -0.058 0.000 0.658 185 V HN 0.432 nan 8.190 nan 0.000 0.452 186 N N -0.205 118.458 118.700 -0.062 0.000 2.571 186 N HA -0.037 4.703 4.740 -0.001 0.000 0.189 186 N C 1.443 176.931 175.510 -0.035 0.000 1.154 186 N CA 0.541 53.542 53.050 -0.080 0.000 0.907 186 N CB 0.291 38.694 38.487 -0.141 0.000 0.977 186 N HN 0.338 nan 8.380 nan 0.000 0.449 187 V N 0.671 120.581 119.914 -0.008 0.000 2.446 187 V HA 0.002 4.121 4.120 -0.001 0.000 0.244 187 V C 2.087 178.201 176.094 0.033 0.000 1.039 187 V CA 0.764 63.068 62.300 0.006 0.000 1.045 187 V CB -0.033 31.801 31.823 0.017 0.000 0.681 187 V HN 0.161 nan 8.190 nan 0.000 0.459 188 I N -0.537 120.078 120.570 0.075 0.000 2.252 188 I HA -0.179 3.991 4.170 -0.001 0.000 0.245 188 I C 2.328 178.561 176.117 0.193 0.000 1.102 188 I CA 1.095 62.505 61.300 0.182 0.000 1.385 188 I CB -0.333 37.758 38.000 0.151 0.000 1.064 188 I HN 0.135 nan 8.210 nan 0.000 0.414 189 V N 0.886 120.849 119.914 0.081 0.000 2.270 189 V HA -0.268 3.852 4.120 -0.001 0.000 0.245 189 V C 2.643 178.758 176.094 0.036 0.000 1.043 189 V CA 2.265 64.598 62.300 0.055 0.000 1.014 189 V CB -0.852 30.963 31.823 -0.013 0.000 0.645 189 V HN 0.595 nan 8.190 nan 0.000 0.447 190 S N -0.746 114.952 115.700 -0.003 0.000 2.419 190 S HA -0.223 4.246 4.470 -0.001 0.000 0.235 190 S C 1.829 176.396 174.600 -0.056 0.000 1.019 190 S CA 1.954 60.141 58.200 -0.022 0.000 0.982 190 S CB -0.702 62.483 63.200 -0.025 0.000 0.789 190 S HN 0.593 nan 8.310 nan 0.000 0.490 191 T N 0.554 115.052 114.554 -0.093 0.000 2.851 191 T HA 0.109 4.459 4.350 -0.001 0.000 0.262 191 T C 0.947 175.415 174.700 -0.387 0.000 1.043 191 T CA 1.181 63.107 62.100 -0.291 0.000 1.140 191 T CB -0.320 68.259 68.868 -0.482 0.000 0.872 191 T HN 0.631 nan 8.240 nan 0.000 0.446 192 Y N 0.765 121.066 120.300 0.002 0.000 2.458 192 Y HA 0.598 5.147 4.550 -0.001 0.000 0.254 192 Y C 1.189 177.090 175.900 0.002 0.000 1.120 192 Y CA -0.968 57.136 58.100 0.007 0.000 1.282 192 Y CB 0.074 38.548 38.460 0.024 0.000 1.109 192 Y HN 0.075 nan 8.280 nan 0.000 0.526 193 A N 0.533 123.423 122.820 0.116 0.000 2.401 193 A HA 0.191 4.511 4.320 -0.001 0.000 0.259 193 A C -0.565 177.037 177.584 0.029 0.000 1.103 193 A CA -0.515 51.560 52.037 0.063 0.000 0.789 193 A CB -0.166 18.854 19.000 0.033 0.000 1.035 193 A HN 0.209 nan 8.150 nan 0.000 0.491 194 D N 1.998 122.410 120.400 0.020 0.000 2.434 194 D HA 0.176 4.816 4.640 -0.001 0.000 0.252 194 D C 1.086 177.375 176.300 -0.018 0.000 1.185 194 D CA 0.479 54.480 54.000 0.001 0.000 0.886 194 D CB 0.672 41.470 40.800 -0.004 0.000 1.148 194 D HN 0.656 nan 8.370 nan 0.000 0.483 195 E N 1.157 121.346 120.200 -0.018 0.000 2.273 195 E HA -0.162 4.188 4.350 -0.001 0.000 0.198 195 E C 1.672 178.252 176.600 -0.033 0.000 1.002 195 E CA 0.580 56.967 56.400 -0.022 0.000 0.828 195 E CB 0.105 29.794 29.700 -0.018 0.000 0.747 195 E HN 0.307 nan 8.360 nan 0.000 0.491 196 V N 0.813 120.702 119.914 -0.042 0.000 2.759 196 V HA -0.194 3.926 4.120 -0.001 0.000 0.256 196 V C 1.773 177.805 176.094 -0.104 0.000 1.080 196 V CA 1.060 63.324 62.300 -0.061 0.000 1.101 196 V CB -0.277 31.512 31.823 -0.058 0.000 0.698 196 V HN 0.210 nan 8.190 nan 0.000 0.477 197 L N 0.151 121.307 121.223 -0.111 0.000 2.478 197 L HA 0.376 4.715 4.340 -0.001 0.000 0.223 197 L C 1.474 178.292 176.870 -0.088 0.000 1.140 197 L CA 1.418 56.169 54.840 -0.147 0.000 0.842 197 L CB -1.226 40.758 42.059 -0.126 0.000 0.953 197 L HN 0.482 nan 8.230 nan 0.000 0.452 198 G N -0.701 108.067 108.800 -0.053 0.000 2.488 198 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.237 198 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.237 198 G C -0.513 174.385 174.900 -0.004 0.000 1.209 198 G CA -0.095 44.991 45.100 -0.024 0.000 0.929 198 G HN 0.160 nan 8.290 nan 0.000 0.578 199 D N 0.523 120.935 120.400 0.020 0.000 2.411 199 D HA 0.421 5.060 4.640 -0.001 0.000 0.225 199 D C 0.971 177.297 176.300 0.043 0.000 1.156 199 D CA 0.406 54.436 54.000 0.050 0.000 0.874 199 D CB 1.123 41.987 40.800 0.107 0.000 1.034 199 D HN 0.719 nan 8.370 nan 0.000 0.502 200 V N 4.250 124.169 119.914 0.009 0.000 3.514 200 V HA 0.106 4.225 4.120 -0.001 0.000 0.301 200 V C 0.832 176.894 176.094 -0.052 0.000 1.346 200 V CA 0.140 62.433 62.300 -0.011 0.000 1.156 200 V CB -0.465 31.349 31.823 -0.015 0.000 1.029 200 V HN 0.502 nan 8.190 nan 0.000 0.428 201 Q N -0.023 119.729 119.800 -0.080 0.000 2.535 201 Q HA 0.283 4.622 4.340 -0.001 0.000 0.228 201 Q C -0.552 175.231 176.000 -0.361 0.000 1.062 201 Q CA 0.100 55.761 55.803 -0.237 0.000 0.967 201 Q CB 1.470 30.002 28.738 -0.344 0.000 1.273 201 Q HN 0.329 nan 8.270 nan 0.000 0.554 202 V N 1.570 121.197 119.914 -0.478 0.000 2.483 202 V HA 0.314 4.434 4.120 -0.001 0.000 0.295 202 V C -1.275 174.460 176.094 -0.597 0.000 1.035 202 V CA -0.551 61.496 62.300 -0.421 0.000 0.896 202 V CB 0.768 32.422 31.823 -0.282 0.000 0.986 202 V HN 0.554 nan 8.190 nan 0.000 0.447 203 Y N 4.739 124.950 120.300 -0.148 0.000 2.329 203 Y HA 0.379 4.928 4.550 -0.001 0.000 0.328 203 Y C -1.942 173.818 175.900 -0.234 0.000 0.992 203 Y CA -2.156 55.870 58.100 -0.123 0.000 1.151 203 Y CB 1.961 40.372 38.460 -0.083 0.000 1.150 203 Y HN 0.425 nan 8.280 nan 0.000 0.450 204 P HA -0.259 nan 4.420 nan 0.000 0.216 204 P C 1.331 178.160 177.300 -0.784 0.000 1.153 204 P CA 2.507 65.328 63.100 -0.466 0.000 0.858 204 P CB 0.342 31.756 31.700 -0.477 0.000 0.789 205 A N -0.266 122.102 122.820 -0.753 0.000 2.019 205 A HA -0.175 4.145 4.320 -0.001 0.000 0.219 205 A C 2.011 179.442 177.584 -0.255 0.000 1.164 205 A CA 1.309 52.959 52.037 -0.644 0.000 0.644 205 A CB -0.909 18.042 19.000 -0.082 0.000 0.805 205 A HN 0.150 nan 8.150 nan 0.000 0.449 206 R N -1.341 119.062 120.500 -0.162 0.000 2.310 206 R HA 0.228 4.567 4.340 -0.001 0.000 0.202 206 R C 1.136 177.348 176.300 -0.147 0.000 0.933 206 R CA 0.471 56.513 56.100 -0.097 0.000 1.054 206 R CB -0.064 30.207 30.300 -0.048 0.000 0.985 206 R HN 0.644 nan 8.270 nan 0.000 0.489 207 G N 1.206 109.880 108.800 -0.210 0.000 2.143 207 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.248 207 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.248 207 G C 0.679 175.377 174.900 -0.336 0.000 0.991 207 G CA 0.750 45.745 45.100 -0.175 0.000 0.689 207 G HN 0.436 nan 8.290 nan 0.000 0.522 208 T N -2.466 111.823 114.554 -0.441 0.000 3.186 208 T HA 0.584 4.934 4.350 -0.001 0.000 0.257 208 T C 0.241 174.729 174.700 -0.352 0.000 1.029 208 T CA 0.277 62.109 62.100 -0.447 0.000 0.916 208 T CB 1.090 69.692 68.868 -0.443 0.000 1.041 208 T HN 0.826 nan 8.240 nan 0.000 0.562 209 V N 1.057 120.737 119.914 -0.390 0.000 2.623 209 V HA 0.800 4.920 4.120 -0.001 0.000 0.304 209 V C -0.230 175.448 176.094 -0.693 0.000 1.054 209 V CA -1.248 60.724 62.300 -0.546 0.000 0.882 209 V CB 1.437 32.898 31.823 -0.604 0.000 1.002 209 V HN 0.587 nan 8.190 nan 0.000 0.424 210 A N 4.393 126.770 122.820 -0.739 0.000 2.330 210 A HA 1.015 5.335 4.320 -0.001 0.000 0.329 210 A C -1.283 175.720 177.584 -0.969 0.000 1.135 210 A CA -0.424 51.225 52.037 -0.648 0.000 0.817 210 A CB 1.135 19.909 19.000 -0.377 0.000 1.269 210 A HN 0.652 nan 8.150 nan 0.000 0.469 211 F N -0.033 119.699 119.950 -0.363 0.000 2.556 211 F HA 0.737 5.263 4.527 -0.001 0.000 0.314 211 F C 0.724 176.356 175.800 -0.279 0.000 1.106 211 F CA 0.342 58.121 58.000 -0.368 0.000 0.911 211 F CB 2.702 41.449 39.000 -0.421 0.000 1.190 211 F HN 1.040 nan 8.300 nan 0.000 0.448 212 G N 0.428 109.191 108.800 -0.062 0.000 2.356 212 G HA2 0.428 4.387 3.960 -0.001 0.000 0.281 212 G HA3 0.428 4.387 3.960 -0.001 0.000 0.281 212 G C -1.847 172.959 174.900 -0.157 0.000 1.246 212 G CA -0.692 44.287 45.100 -0.202 0.000 0.889 212 G HN 0.665 nan 8.290 nan 0.000 0.486 213 S N -0.716 114.829 115.700 -0.258 0.000 2.789 213 S HA 0.541 5.010 4.470 -0.001 0.000 0.286 213 S C 1.196 175.695 174.600 -0.168 0.000 1.153 213 S CA 0.763 58.859 58.200 -0.173 0.000 1.084 213 S CB 0.807 63.930 63.200 -0.128 0.000 1.036 213 S HN 1.765 nan 8.310 nan 0.000 0.484 214 G N 3.426 112.150 108.800 -0.127 0.000 2.448 214 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.219 214 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.219 214 G C 1.145 176.019 174.900 -0.045 0.000 1.127 214 G CA 0.949 45.995 45.100 -0.089 0.000 0.766 214 G HN 0.654 nan 8.290 nan 0.000 0.552 215 L N -0.263 120.931 121.223 -0.048 0.000 2.095 215 L HA 0.212 4.552 4.340 -0.001 0.000 0.204 215 L C 1.896 178.866 176.870 0.167 0.000 1.080 215 L CA 1.035 55.887 54.840 0.020 0.000 0.759 215 L CB -0.332 41.708 42.059 -0.032 0.000 0.914 215 L HN 0.152 nan 8.230 nan 0.000 0.439 216 H N -1.134 117.953 119.070 0.027 0.000 2.681 216 H HA 0.515 5.071 4.556 -0.001 0.000 0.206 216 H C 0.837 176.195 175.328 0.050 0.000 1.531 216 H CA -0.411 55.682 56.048 0.076 0.000 1.575 216 H CB -0.486 29.378 29.762 0.171 0.000 1.559 216 H HN 0.061 nan 8.280 nan 0.000 0.804 217 G N -0.743 108.119 108.800 0.102 0.000 4.908 217 G HA2 0.134 4.094 3.960 -0.001 0.000 0.267 217 G HA3 0.134 4.094 3.960 -0.001 0.000 0.267 217 G C -0.924 174.103 174.900 0.212 0.000 0.958 217 G CA -0.375 44.795 45.100 0.118 0.000 0.743 217 G HN 0.465 nan 8.290 nan 0.000 0.410 218 W N -0.417 120.954 121.300 0.118 0.000 2.936 218 W HA 0.835 5.495 4.660 -0.001 0.000 0.338 218 W C -0.884 175.715 176.519 0.133 0.000 1.121 218 W CA -1.371 56.052 57.345 0.131 0.000 1.209 218 W CB 1.275 30.846 29.460 0.185 0.000 1.420 218 W HN 0.474 nan 8.180 nan 0.000 0.516 219 A N 2.911 125.948 122.820 0.361 0.000 2.586 219 A HA 0.883 5.203 4.320 -0.001 0.000 0.291 219 A C -2.063 175.721 177.584 0.333 0.000 1.062 219 A CA -0.735 51.413 52.037 0.184 0.000 0.666 219 A CB 1.510 20.476 19.000 -0.057 0.000 1.281 219 A HN 1.210 nan 8.150 nan 0.000 0.421 220 F N -1.311 118.774 119.950 0.226 0.000 2.711 220 F HA 0.884 5.410 4.527 -0.001 0.000 0.313 220 F C -0.288 175.635 175.800 0.205 0.000 1.141 220 F CA -0.151 57.965 58.000 0.194 0.000 0.941 220 F CB 1.230 40.415 39.000 0.307 0.000 1.349 220 F HN 0.964 nan 8.300 nan 0.000 0.464 221 T N -0.714 114.104 114.554 0.440 0.000 2.924 221 T HA 0.482 4.832 4.350 -0.001 0.000 0.291 221 T C 0.628 175.657 174.700 0.548 0.000 1.045 221 T CA -0.811 61.482 62.100 0.322 0.000 1.015 221 T CB 1.610 70.568 68.868 0.150 0.000 1.103 221 T HN 0.652 nan 8.240 nan 0.000 0.496 222 I N 0.441 121.271 120.570 0.434 0.000 2.286 222 I HA -0.086 4.083 4.170 -0.001 0.000 0.248 222 I C 2.714 179.012 176.117 0.302 0.000 1.115 222 I CA 1.294 62.860 61.300 0.444 0.000 1.392 222 I CB -1.088 37.111 38.000 0.333 0.000 1.065 222 I HN 0.834 nan 8.210 nan 0.000 0.418 223 R N 1.145 121.761 120.500 0.194 0.000 2.096 223 R HA -0.236 4.104 4.340 -0.001 0.000 0.240 223 R C 2.294 178.637 176.300 0.070 0.000 1.139 223 R CA 1.855 58.020 56.100 0.108 0.000 0.952 223 R CB -0.118 30.222 30.300 0.068 0.000 0.854 223 R HN 0.463 nan 8.270 nan 0.000 0.436 224 Q N -0.956 118.882 119.800 0.063 0.000 2.124 224 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 224 Q C 1.966 177.844 176.000 -0.203 0.000 0.977 224 Q CA 1.685 57.442 55.803 -0.076 0.000 0.850 224 Q CB -0.117 28.550 28.738 -0.118 0.000 0.901 224 Q HN 0.340 nan 8.270 nan 0.000 0.429 225 F N 0.298 120.181 119.950 -0.110 0.000 2.259 225 F HA -0.073 4.453 4.527 -0.001 0.000 0.298 225 F C 2.298 177.907 175.800 -0.318 0.000 1.088 225 F CA 0.908 58.713 58.000 -0.325 0.000 1.358 225 F CB -0.344 38.496 39.000 -0.267 0.000 1.040 225 F HN 0.046 nan 8.300 nan 0.000 0.505 226 A N -0.711 122.150 122.820 0.068 0.000 1.898 226 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 226 A C 2.251 179.842 177.584 0.010 0.000 1.181 226 A CA 2.212 54.281 52.037 0.053 0.000 0.620 226 A CB -1.238 17.797 19.000 0.060 0.000 0.819 226 A HN 0.306 nan 8.150 nan 0.000 0.442 227 T N -0.814 113.726 114.554 -0.024 0.000 2.746 227 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 227 T C 2.085 176.762 174.700 -0.038 0.000 1.039 227 T CA 1.530 63.613 62.100 -0.028 0.000 1.142 227 T CB -0.226 68.616 68.868 -0.043 0.000 0.866 227 T HN 0.564 nan 8.240 nan 0.000 0.444 228 R N -0.370 120.052 120.500 -0.130 0.000 2.096 228 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 228 R C 1.549 177.874 176.300 0.041 0.000 1.127 228 R CA 1.475 57.489 56.100 -0.144 0.000 0.968 228 R CB -0.129 29.940 30.300 -0.384 0.000 0.861 228 R HN 0.411 nan 8.270 nan 0.000 0.440 229 Y N -0.803 119.568 120.300 0.118 0.000 2.478 229 Y HA 0.356 4.906 4.550 -0.001 0.000 0.261 229 Y C 1.908 177.902 175.900 0.156 0.000 1.127 229 Y CA -0.371 57.827 58.100 0.163 0.000 1.288 229 Y CB -0.363 38.208 38.460 0.185 0.000 1.084 229 Y HN 0.131 nan 8.280 nan 0.000 0.530 230 A N 0.868 123.808 122.820 0.200 0.000 1.835 230 A HA -0.201 4.119 4.320 -0.001 0.000 0.215 230 A C 2.085 179.741 177.584 0.121 0.000 1.199 230 A CA 1.594 53.704 52.037 0.121 0.000 0.615 230 A CB -0.573 18.458 19.000 0.052 0.000 0.838 230 A HN 0.278 nan 8.150 nan 0.000 0.444 231 K N -0.695 119.759 120.400 0.090 0.000 2.585 231 K HA -0.034 4.286 4.320 -0.001 0.000 0.194 231 K C 1.429 178.069 176.600 0.066 0.000 1.037 231 K CA 0.853 57.179 56.287 0.065 0.000 0.964 231 K CB -0.046 32.481 32.500 0.045 0.000 0.787 231 K HN 0.415 nan 8.250 nan 0.000 0.488 232 K N -1.345 119.115 120.400 0.100 0.000 2.399 232 K HA 0.101 4.421 4.320 -0.001 0.000 0.196 232 K C 0.785 177.338 176.600 -0.079 0.000 1.117 232 K CA 0.126 56.426 56.287 0.023 0.000 0.965 232 K CB 0.406 32.938 32.500 0.053 0.000 0.983 232 K HN -0.031 nan 8.250 nan 0.000 0.531 233 F N 0.596 120.532 119.950 -0.023 0.000 2.727 233 F HA 0.194 4.720 4.527 -0.001 0.000 0.302 233 F C 1.047 176.842 175.800 -0.007 0.000 1.097 233 F CA 0.447 58.421 58.000 -0.043 0.000 1.330 233 F CB 1.068 40.017 39.000 -0.086 0.000 1.084 233 F HN 0.154 nan 8.300 nan 0.000 0.578 234 G N 1.310 110.189 108.800 0.131 0.000 2.221 234 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.265 234 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.265 234 G C -0.384 174.565 174.900 0.082 0.000 1.041 234 G CA 0.313 45.466 45.100 0.089 0.000 0.807 234 G HN 0.203 nan 8.290 nan 0.000 0.502 235 V N 0.113 120.071 119.914 0.074 0.000 2.925 235 V HA 0.556 4.675 4.120 -0.001 0.000 0.311 235 V C 0.046 176.137 176.094 -0.005 0.000 1.104 235 V CA -0.574 61.731 62.300 0.009 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 1.856 122.244 120.400 -0.021 0.000 2.372 236 D HA 0.125 4.765 4.640 -0.001 0.000 0.243 236 D C 1.028 177.308 176.300 -0.032 0.000 1.121 236 D CA -0.467 53.524 54.000 -0.016 0.000 0.898 236 D CB 0.717 41.508 40.800 -0.015 0.000 1.202 236 D HN 0.689 nan 8.370 nan 0.000 0.428 237 K N 1.143 121.534 120.400 -0.015 0.000 2.280 237 K HA -0.176 4.144 4.320 -0.001 0.000 0.202 237 K C 1.771 178.357 176.600 -0.025 0.000 1.047 237 K CA 0.997 57.274 56.287 -0.017 0.000 0.942 237 K CB -0.329 32.172 32.500 0.002 0.000 0.739 237 K HN 0.394 nan 8.250 nan 0.000 0.457 238 A N 2.091 124.896 122.820 -0.024 0.000 1.902 238 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 238 A C 2.187 179.745 177.584 -0.044 0.000 1.181 238 A CA 1.911 53.935 52.037 -0.022 0.000 0.623 238 A CB -0.408 18.582 19.000 -0.017 0.000 0.818 238 A HN 0.299 nan 8.150 nan 0.000 0.443 239 K N -1.087 119.268 120.400 -0.075 0.000 2.103 239 K HA 0.024 4.344 4.320 -0.001 0.000 0.204 239 K C 1.925 178.407 176.600 -0.197 0.000 1.052 239 K CA 1.305 57.515 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 0.762 120.250 119.600 -0.187 0.000 2.117 240 M HA -0.090 4.389 4.480 -0.001 0.000 0.262 240 M C 2.034 178.273 176.300 -0.102 0.000 1.065 240 M CA 1.665 56.830 55.300 -0.226 0.000 1.114 240 M CB -0.846 31.670 32.600 -0.141 0.000 1.361 240 M HN 0.350 nan 8.290 nan 0.000 0.408 241 M N -2.101 117.490 119.600 -0.016 0.000 2.394 241 M HA -0.088 4.391 4.480 -0.001 0.000 0.264 241 M C 0.854 177.206 176.300 0.087 0.000 1.073 241 M CA 1.342 56.683 55.300 0.068 0.000 1.111 241 M CB -0.782 31.865 32.600 0.079 0.000 1.401 241 M HN 0.004 nan 8.290 nan 0.000 0.448 242 D N 1.614 122.029 120.400 0.025 0.000 2.194 242 D HA -0.023 4.617 4.640 -0.001 0.000 0.204 242 D C 2.037 178.368 176.300 0.052 0.000 0.964 242 D CA 1.015 55.046 54.000 0.051 0.000 0.846 242 D CB -0.130 40.674 40.800 0.007 0.000 0.962 242 D HN 0.504 nan 8.370 nan 0.000 0.490 243 R N 0.048 120.517 120.500 -0.050 0.000 2.236 243 R HA 0.154 4.493 4.340 -0.001 0.000 0.208 243 R C 1.761 178.118 176.300 0.094 0.000 1.036 243 R CA 0.155 56.214 56.100 -0.069 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 -0.073 121.242 121.223 0.154 0.000 2.611 244 L HA 0.159 4.499 4.340 -0.001 0.000 0.229 244 L C 0.157 177.315 176.870 0.480 0.000 1.137 244 L CA -0.147 54.876 54.840 0.305 0.000 0.901 244 L CB 0.071 42.310 42.059 0.300 0.000 1.098 244 L HN 0.258 nan 8.230 nan 0.000 0.456 245 W N -0.104 121.279 121.300 0.138 0.000 3.167 245 W HA 0.445 5.105 4.660 -0.001 0.000 0.324 245 W C 0.355 176.865 176.519 -0.015 0.000 1.230 245 W CA 0.226 57.604 57.345 0.056 0.000 1.184 245 W CB 1.646 31.128 29.460 0.037 0.000 1.414 245 W HN 0.072 nan 8.180 nan 0.000 0.551 246 G N 3.369 111.357 108.800 -1.354 0.000 2.562 246 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.250 246 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.250 246 G C -0.437 174.164 174.900 -0.499 0.000 1.269 246 G CA 0.334 44.939 45.100 -0.826 0.000 0.919 246 G HN 0.496 nan 8.290 nan 0.000 0.574 247 D N 1.637 121.887 120.400 -0.249 0.000 2.688 247 D HA 0.486 5.126 4.640 -0.001 0.000 0.228 247 D C 0.020 176.276 176.300 -0.074 0.000 1.116 247 D CA 0.645 54.568 54.000 -0.128 0.000 1.023 247 D CB 0.287 41.187 40.800 0.165 0.000 1.100 247 D HN 0.412 nan 8.370 nan 0.000 0.487 248 S N 0.760 116.226 115.700 -0.389 0.000 2.561 248 S HA 0.582 5.052 4.470 -0.001 0.000 0.303 248 S C -0.680 173.710 174.600 -0.350 0.000 1.110 248 S CA -0.615 57.548 58.200 -0.062 0.000 1.034 248 S CB 0.892 64.157 63.200 0.108 0.000 1.010 248 S HN 0.100 nan 8.310 nan 0.000 0.482 249 F N 2.388 122.452 119.950 0.190 0.000 2.551 249 F HA 0.586 5.112 4.527 -0.001 0.000 0.316 249 F C -0.577 175.242 175.800 0.031 0.000 1.089 249 F CA -1.007 57.040 58.000 0.080 0.000 0.915 249 F CB 1.338 40.329 39.000 -0.014 0.000 1.186 249 F HN 0.510 nan 8.300 nan 0.000 0.456 250 F N 3.673 123.505 119.950 -0.196 0.000 2.403 250 F HA 0.422 4.948 4.527 -0.001 0.000 0.355 250 F C -0.427 175.202 175.800 -0.286 0.000 1.119 250 F CA -0.832 56.812 58.000 -0.594 0.000 1.007 250 F CB 0.611 38.970 39.000 -1.068 0.000 1.194 250 F HN 0.375 nan 8.300 nan 0.000 0.443 251 N N 8.216 126.476 118.700 -0.734 0.000 2.406 251 N HA 0.247 4.986 4.740 -0.001 0.000 0.251 251 N C -2.074 172.933 175.510 -0.839 0.000 1.069 251 N CA -2.072 50.643 53.050 -0.558 0.000 0.947 251 N CB 1.655 39.929 38.487 -0.355 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 -0.264 0.000 1.148 252 P CA 1.369 64.253 63.100 -0.359 0.000 0.822 252 P CB 0.431 32.076 31.700 -0.092 0.000 0.784 253 K N -0.936 119.325 120.400 -0.231 0.000 2.097 253 K HA -0.079 4.240 4.320 -0.001 0.000 0.205 253 K C 1.959 178.465 176.600 -0.157 0.000 1.050 253 K CA 2.015 58.208 56.287 -0.156 0.000 0.938 253 K CB -0.671 31.751 32.500 -0.129 0.000 0.718 253 K HN 0.306 nan 8.250 nan 0.000 0.442 254 T N -2.233 112.189 114.554 -0.220 0.000 3.037 254 T HA 0.114 4.464 4.350 -0.001 0.000 0.251 254 T C 0.539 175.129 174.700 -0.183 0.000 1.079 254 T CA -0.174 61.824 62.100 -0.170 0.000 1.067 254 T CB 0.264 69.038 68.868 -0.156 0.000 0.948 254 T HN -0.050 nan 8.240 nan 0.000 0.496 255 K N 0.433 120.616 120.400 -0.361 0.000 3.281 255 K HA -0.110 4.210 4.320 -0.001 0.000 0.295 255 K C -0.475 176.027 176.600 -0.163 0.000 1.233 255 K CA 0.807 56.917 56.287 -0.296 0.000 0.866 255 K CB -1.890 30.632 32.500 0.037 0.000 1.265 255 K HN 0.577 nan 8.250 nan 0.000 0.482 256 K N -0.589 119.611 120.400 -0.334 0.000 2.267 256 K HA 0.462 4.782 4.320 -0.001 0.000 0.246 256 K C -0.422 176.124 176.600 -0.091 0.000 0.954 256 K CA -0.763 55.500 56.287 -0.039 0.000 0.824 256 K CB 0.968 33.483 32.500 0.025 0.000 1.167 256 K HN -0.059 nan 8.250 nan 0.000 0.431 257 W N 1.016 122.437 121.300 0.201 0.000 2.361 257 W HA 0.359 5.019 4.660 -0.001 0.000 0.309 257 W C 0.513 177.118 176.519 0.143 0.000 1.122 257 W CA -0.160 57.319 57.345 0.224 0.000 1.208 257 W CB 1.682 31.266 29.460 0.207 0.000 1.246 257 W HN 0.407 nan 8.180 nan 0.000 0.490 258 T N 1.380 116.144 114.554 0.350 0.000 2.838 258 T HA 0.325 4.675 4.350 -0.001 0.000 0.292 258 T C 0.263 175.163 174.700 0.333 0.000 1.113 258 T CA -0.718 61.531 62.100 0.248 0.000 1.008 258 T CB 1.113 70.049 68.868 0.112 0.000 1.259 258 T HN 0.391 nan 8.240 nan 0.000 0.520 259 N N 0.922 119.762 118.700 0.233 0.000 2.187 259 N HA 0.204 4.943 4.740 -0.001 0.000 0.212 259 N C -0.491 175.107 175.510 0.147 0.000 1.152 259 N CA -0.036 53.182 53.050 0.279 0.000 0.872 259 N CB 0.634 39.225 38.487 0.173 0.000 1.025 259 N HN 0.418 nan 8.380 nan 0.000 0.514 260 K N 1.470 121.831 120.400 -0.064 0.000 2.211 260 K HA 0.077 4.397 4.320 -0.001 0.000 0.275 260 K C -0.025 176.066 176.600 -0.849 0.000 1.024 260 K CA -0.417 55.692 56.287 -0.297 0.000 0.887 260 K CB 1.124 33.510 32.500 -0.189 0.000 1.084 260 K HN 0.036 nan 8.250 nan 0.000 0.463 261 D N 0.789 120.596 120.400 -0.989 0.000 2.338 261 D HA -0.076 4.564 4.640 -0.001 0.000 0.239 261 D C 0.116 176.039 176.300 -0.628 0.000 1.095 261 D CA 0.053 53.255 54.000 -1.328 0.000 0.888 261 D CB 0.029 40.416 40.800 -0.688 0.000 0.899 261 D HN 0.425 nan 8.370 nan 0.000 0.525 262 T N -3.174 111.115 114.554 -0.442 0.000 2.883 262 T HA 0.488 4.837 4.350 -0.001 0.000 0.301 262 T C -0.735 173.839 174.700 -0.209 0.000 1.158 262 T CA -1.044 60.901 62.100 -0.259 0.000 1.007 262 T CB 2.325 71.085 68.868 -0.179 0.000 1.186 262 T HN 0.020 nan 8.240 nan 0.000 0.499 263 D N 0.820 121.127 120.400 -0.155 0.000 2.506 263 D HA 0.591 5.230 4.640 -0.001 0.000 0.272 263 D C 1.815 178.057 176.300 -0.098 0.000 1.214 263 D CA -0.324 53.601 54.000 -0.126 0.000 1.067 263 D CB 0.049 40.780 40.800 -0.115 0.000 1.117 263 D HN 0.701 nan 8.370 nan 0.000 0.578 264 A N -0.259 122.513 122.820 -0.080 0.000 1.892 264 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 264 A C 1.845 179.393 177.584 -0.059 0.000 1.188 264 A CA 1.933 53.932 52.037 -0.063 0.000 0.631 264 A CB -1.011 17.958 19.000 -0.053 0.000 0.822 264 A HN 0.595 nan 8.150 nan 0.000 0.447 265 E N -1.469 118.694 120.200 -0.061 0.000 2.409 265 E HA 0.231 4.580 4.350 -0.001 0.000 0.198 265 E C 1.348 177.913 176.600 -0.059 0.000 1.024 265 E CA 0.906 57.274 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 0.897 nan 8.360 nan 0.000 0.521 266 G N 0.444 109.201 108.800 -0.072 0.000 2.157 266 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.239 266 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.239 266 G C 0.036 174.887 174.900 -0.083 0.000 0.982 266 G CA 0.106 45.160 45.100 -0.076 0.000 0.650 266 G HN 0.256 nan 8.290 nan 0.000 0.527 267 K N 0.975 121.325 120.400 -0.084 0.000 2.295 267 K HA 0.397 4.716 4.320 -0.001 0.000 0.270 267 K C -2.476 174.062 176.600 -0.103 0.000 1.011 267 K CA -1.559 54.678 56.287 -0.083 0.000 0.953 267 K CB 0.631 33.085 32.500 -0.076 0.000 0.956 267 K HN 0.028 nan 8.250 nan 0.000 0.477 268 P HA 0.029 nan 4.420 nan 0.000 0.266 268 P C -0.884 176.357 177.300 -0.098 0.000 1.215 268 P CA 0.287 63.326 63.100 -0.101 0.000 0.763 268 P CB 0.420 32.077 31.700 -0.072 0.000 0.806 269 L N 2.831 123.979 121.223 -0.126 0.000 2.295 269 L HA 0.366 4.705 4.340 -0.001 0.000 0.285 269 L C 0.934 177.883 176.870 0.132 0.000 1.035 269 L CA -0.719 54.091 54.840 -0.050 0.000 0.806 269 L CB 1.351 43.333 42.059 -0.128 0.000 1.214 269 L HN 0.353 nan 8.230 nan 0.000 0.426 270 E N 4.454 124.707 120.200 0.087 0.000 2.259 270 E HA 0.092 4.442 4.350 -0.001 0.000 0.281 270 E C -0.041 176.592 176.600 0.055 0.000 1.037 270 E CA -0.696 55.731 56.400 0.044 0.000 0.854 270 E CB 0.899 30.541 29.700 -0.097 0.000 1.051 270 E HN 0.405 nan 8.360 nan 0.000 0.409 271 R N 3.496 123.941 120.500 -0.091 0.000 2.537 271 R HA -0.067 4.273 4.340 -0.001 0.000 0.281 271 R C 0.777 176.890 176.300 -0.312 0.000 0.988 271 R CA 0.723 56.511 56.100 -0.519 0.000 1.077 271 R CB 0.516 30.530 30.300 -0.476 0.000 0.932 271 R HN 0.746 nan 8.270 nan 0.000 0.409 272 A N 5.535 128.200 122.820 -0.258 0.000 1.948 272 A HA -0.245 4.075 4.320 -0.001 0.000 0.220 272 A C 1.768 179.408 177.584 0.092 0.000 1.177 272 A CA 1.564 53.636 52.037 0.058 0.000 0.636 272 A CB -0.660 18.554 19.000 0.356 0.000 0.815 272 A HN 0.907 nan 8.150 nan 0.000 0.449 273 F N 1.451 121.336 119.950 -0.109 0.000 2.134 273 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 273 F C 1.918 177.646 175.800 -0.120 0.000 1.097 273 F CA 2.150 60.114 58.000 -0.059 0.000 1.264 273 F CB -0.312 38.624 39.000 -0.106 0.000 1.001 273 F HN 0.245 nan 8.300 nan 0.000 0.479 274 N N 0.029 118.620 118.700 -0.180 0.000 2.142 274 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 274 N C 1.982 177.264 175.510 -0.380 0.000 1.023 274 N CA 1.679 54.545 53.050 -0.308 0.000 0.852 274 N CB -0.556 37.788 38.487 -0.239 0.000 0.998 274 N HN 0.412 nan 8.380 nan 0.000 0.424 275 M N -1.152 118.216 119.600 -0.385 0.000 2.200 275 M HA -0.009 4.471 4.480 -0.001 0.000 0.265 275 M C 0.508 176.429 176.300 -0.633 0.000 1.066 275 M CA 1.507 56.475 55.300 -0.554 0.000 1.127 275 M CB 0.112 32.271 32.600 -0.735 0.000 1.379 275 M HN 0.001 nan 8.290 nan 0.000 0.420 276 F N -1.046 118.798 119.950 -0.176 0.000 2.694 276 F HA 0.258 4.785 4.527 -0.001 0.000 0.292 276 F C 1.639 177.337 175.800 -0.170 0.000 1.121 276 F CA 0.301 58.219 58.000 -0.137 0.000 1.352 276 F CB 0.098 39.044 39.000 -0.090 0.000 1.107 276 F HN 0.032 nan 8.300 nan 0.000 0.597 277 I N -1.293 119.067 120.570 -0.350 0.000 3.194 277 I HA -0.047 4.122 4.170 -0.001 0.000 0.271 277 I C 1.904 177.641 176.117 -0.632 0.000 1.150 277 I CA 0.465 61.237 61.300 -0.880 0.000 1.440 277 I CB -0.025 37.174 38.000 -1.335 0.000 1.276 277 I HN -0.061 nan 8.210 nan 0.000 0.457 278 L N 0.507 121.383 121.223 -0.578 0.000 2.044 278 L HA -0.172 4.168 4.340 -0.001 0.000 0.205 278 L C 2.113 178.910 176.870 -0.122 0.000 1.075 278 L CA 1.550 56.217 54.840 -0.289 0.000 0.747 278 L CB -0.573 41.252 42.059 -0.391 0.000 0.903 278 L HN 0.245 nan 8.230 nan 0.000 0.435 279 D N -0.004 120.247 120.400 -0.248 0.000 2.116 279 D HA -0.163 4.476 4.640 -0.001 0.000 0.193 279 D C -0.694 175.620 176.300 0.025 0.000 0.998 279 D CA 1.550 55.462 54.000 -0.146 0.000 0.836 279 D CB -0.609 40.073 40.800 -0.196 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 1.394 178.779 177.300 0.141 0.000 1.150 280 P CA 1.042 64.203 63.100 0.102 0.000 0.837 280 P CB 0.024 31.846 31.700 0.204 0.000 0.786 281 I N -2.615 118.063 120.570 0.181 0.000 2.202 281 I HA -0.222 3.948 4.170 -0.001 0.000 0.242 281 I C 2.061 178.240 176.117 0.103 0.000 1.091 281 I CA 1.294 62.687 61.300 0.156 0.000 1.368 281 I CB -0.580 37.450 38.000 0.050 0.000 1.058 281 I HN -0.149 nan 8.210 nan 0.000 0.410 282 F N 1.285 121.173 119.950 -0.103 0.000 2.126 282 F HA -0.191 4.336 4.527 -0.001 0.000 0.299 282 F C 2.705 178.518 175.800 0.020 0.000 1.096 282 F CA 1.518 59.467 58.000 -0.085 0.000 1.255 282 F CB -0.609 38.342 39.000 -0.081 0.000 0.997 282 F HN -0.091 nan 8.300 nan 0.000 0.479 283 R N -0.190 120.431 120.500 0.201 0.000 2.096 283 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 283 R C 2.251 178.605 176.300 0.089 0.000 1.127 283 R CA 1.149 57.318 56.100 0.114 0.000 0.968 283 R CB -0.622 29.715 30.300 0.063 0.000 0.861 283 R HN 0.328 nan 8.270 nan 0.000 0.440 284 L N -0.550 120.737 121.223 0.107 0.000 2.027 284 L HA -0.168 4.171 4.340 -0.001 0.000 0.206 284 L C 2.148 179.078 176.870 0.101 0.000 1.074 284 L CA 1.441 56.323 54.840 0.070 0.000 0.745 284 L CB -0.378 41.722 42.059 0.069 0.000 0.898 284 L HN 0.141 nan 8.230 nan 0.000 0.433 285 F N -0.077 119.814 119.950 -0.098 0.000 2.051 285 F HA -0.276 4.251 4.527 -0.001 0.000 0.296 285 F C 2.696 178.435 175.800 -0.102 0.000 1.122 285 F CA 1.768 59.699 58.000 -0.115 0.000 1.201 285 F CB -0.606 38.304 39.000 -0.150 0.000 0.978 285 F HN 0.012 nan 8.300 nan 0.000 0.472 286 T N -0.146 114.493 114.554 0.141 0.000 2.720 286 T HA -0.245 4.104 4.350 -0.001 0.000 0.268 286 T C 2.064 176.766 174.700 0.003 0.000 1.037 286 T CA 1.300 63.438 62.100 0.064 0.000 1.144 286 T CB -0.593 68.323 68.868 0.081 0.000 0.864 286 T HN 0.340 nan 8.240 nan 0.000 0.444 287 A N 0.835 123.650 122.820 -0.009 0.000 1.897 287 A HA 0.091 4.410 4.320 -0.001 0.000 0.215 287 A C 2.292 179.804 177.584 -0.121 0.000 1.181 287 A CA 0.937 52.948 52.037 -0.043 0.000 0.620 287 A CB -0.594 18.387 19.000 -0.032 0.000 0.821 287 A HN 0.505 nan 8.150 nan 0.000 0.443 288 I N -0.647 119.822 120.570 -0.168 0.000 2.286 288 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 288 I C 2.252 178.076 176.117 -0.488 0.000 1.104 288 I CA 0.983 62.111 61.300 -0.287 0.000 1.397 288 I CB -0.270 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 -0.024 119.353 119.600 -0.372 0.000 2.476 289 M HA -0.054 4.425 4.480 -0.001 0.000 0.262 289 M C 1.048 177.123 176.300 -0.375 0.000 1.079 289 M CA 1.231 56.289 55.300 -0.402 0.000 1.104 289 M CB -1.027 31.465 32.600 -0.180 0.000 1.409 289 M HN 0.240 nan 8.290 nan 0.000 0.467 290 N N -0.298 118.260 118.700 -0.236 0.000 2.214 290 N HA 0.110 4.850 4.740 -0.001 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 0.279 38.791 38.487 0.042 0.000 1.020 290 N HN 0.209 nan 8.380 nan 0.000 0.509 291 F N 0.457 120.401 119.950 -0.009 0.000 3.100 291 F HA -0.262 4.264 4.527 -0.001 0.000 0.283 291 F C 0.221 176.016 175.800 -0.008 0.000 0.900 291 F CA 0.475 58.469 58.000 -0.011 0.000 1.010 291 F CB -2.154 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 -0.001 0.000 0.226 292 K C 1.351 177.970 176.600 0.031 0.000 1.237 292 K CA 0.144 56.459 56.287 0.047 0.000 1.170 292 K CB -0.065 32.446 32.500 0.019 0.000 1.418 292 K HN 0.517 nan 8.250 nan 0.000 0.255 293 K N -0.204 120.230 120.400 0.057 0.000 2.520 293 K HA -0.172 4.147 4.320 -0.001 0.000 0.197 293 K C 0.133 176.745 176.600 0.020 0.000 1.044 293 K CA 1.267 57.579 56.287 0.040 0.000 0.938 293 K CB 0.185 32.720 32.500 0.058 0.000 0.767 293 K HN 0.227 nan 8.250 nan 0.000 0.481 294 D N 0.828 121.239 120.400 0.017 0.000 2.407 294 D HA 0.023 4.663 4.640 -0.001 0.000 0.208 294 D C 0.916 177.217 176.300 0.002 0.000 1.083 294 D CA 0.345 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 4.511 4.350 -0.001 0.000 0.199 295 E C 1.967 178.555 176.600 -0.019 0.000 0.978 295 E CA -0.055 56.340 56.400 -0.007 0.000 0.912 295 E CB 0.841 30.539 29.700 -0.003 0.000 0.907 295 E HN 0.175 nan 8.360 nan 0.000 0.494 296 I N 1.557 122.113 120.570 -0.024 0.000 2.233 296 I HA -0.130 4.040 4.170 -0.001 0.000 0.243 296 I C -0.805 175.288 176.117 -0.040 0.000 1.093 296 I CA 0.883 62.159 61.300 -0.040 0.000 1.380 296 I CB -1.078 36.894 38.000 -0.047 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 1.970 179.252 177.300 -0.029 0.000 1.153 297 P CA 1.216 64.300 63.100 -0.026 0.000 0.853 297 P CB 0.059 31.750 31.700 -0.015 0.000 0.788 298 V N -0.654 119.245 119.914 -0.025 0.000 2.270 298 V HA -0.208 3.911 4.120 -0.001 0.000 0.245 298 V C 2.381 178.454 176.094 -0.036 0.000 1.043 298 V CA 1.484 63.770 62.300 -0.025 0.000 1.014 298 V CB -1.273 30.539 31.823 -0.018 0.000 0.645 298 V HN 0.036 nan 8.190 nan 0.000 0.447 299 L N -0.535 120.662 121.223 -0.042 0.000 2.013 299 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 299 L C 2.183 178.998 176.870 -0.092 0.000 1.073 299 L CA 1.959 56.763 54.840 -0.060 0.000 0.753 299 L CB -0.700 41.324 42.059 -0.059 0.000 0.890 299 L HN 0.187 nan 8.230 nan 0.000 0.432 300 L N -0.661 120.508 121.223 -0.089 0.000 2.083 300 L HA -0.196 4.143 4.340 -0.001 0.000 0.209 300 L C 2.539 179.360 176.870 -0.081 0.000 1.083 300 L CA 1.729 56.507 54.840 -0.105 0.000 0.752 300 L CB -0.882 41.130 42.059 -0.078 0.000 0.899 300 L HN 0.419 nan 8.230 nan 0.000 0.433 301 E N -0.255 119.913 120.200 -0.053 0.000 2.047 301 E HA -0.231 4.118 4.350 -0.001 0.000 0.191 301 E C 2.111 178.691 176.600 -0.034 0.000 0.987 301 E CA 1.128 57.507 56.400 -0.035 0.000 0.799 301 E CB 0.087 29.773 29.700 -0.024 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 -0.037 0.000 2.097 302 K HA -0.103 4.216 4.320 -0.001 0.000 0.206 302 K C 1.899 178.485 176.600 -0.024 0.000 1.049 302 K CA 0.957 57.230 56.287 -0.024 0.000 0.933 302 K CB -0.029 32.458 32.500 -0.021 0.000 0.717 302 K HN 0.245 nan 8.250 nan 0.000 0.442 303 L N 0.903 122.080 121.223 -0.077 0.000 2.591 303 L HA 0.040 4.379 4.340 -0.001 0.000 0.228 303 L C -0.319 176.512 176.870 -0.065 0.000 1.133 303 L CA 0.126 54.898 54.840 -0.115 0.000 0.880 303 L CB -0.274 41.558 42.059 -0.379 0.000 1.033 303 L HN 0.222 nan 8.230 nan 0.000 0.450 304 E N 0.957 121.135 120.200 -0.037 0.000 2.320 304 E HA -0.207 4.143 4.350 -0.001 0.000 0.234 304 E C -0.378 176.216 176.600 -0.011 0.000 1.183 304 E CA 0.158 56.552 56.400 -0.010 0.000 0.713 304 E CB -1.073 28.638 29.700 0.019 0.000 1.226 304 E HN 0.264 nan 8.360 nan 0.000 0.382 305 I N 1.238 121.783 120.570 -0.042 0.000 2.377 305 I HA 0.271 4.440 4.170 -0.001 0.000 0.293 305 I C 0.710 176.816 176.117 -0.018 0.000 0.987 305 I CA -0.845 60.438 61.300 -0.028 0.000 1.185 305 I CB 1.401 39.357 38.000 -0.073 0.000 1.341 305 I HN -0.023 nan 8.210 nan 0.000 0.455 306 V N 5.496 125.410 119.914 0.000 0.000 2.378 306 V HA 0.560 4.680 4.120 -0.001 0.000 0.288 306 V C -0.311 175.784 176.094 0.003 0.000 1.016 306 V CA -0.776 61.524 62.300 -0.000 0.000 0.840 306 V CB 1.482 33.309 31.823 0.006 0.000 0.994 306 V HN 0.474 nan 8.190 nan 0.000 0.431 307 L N 5.587 126.808 121.223 -0.003 0.000 2.305 307 L HA 0.607 4.946 4.340 -0.001 0.000 0.281 307 L C 0.351 177.222 176.870 0.002 0.000 1.085 307 L CA -0.376 54.464 54.840 -0.001 0.000 0.813 307 L CB 1.294 43.349 42.059 -0.007 0.000 1.157 307 L HN 0.874 nan 8.230 nan 0.000 0.436 308 K N 2.113 122.517 120.400 0.006 0.000 2.378 308 K HA 0.785 5.105 4.320 -0.001 0.000 0.252 308 K C 0.295 176.899 176.600 0.006 0.000 0.931 308 K CA -0.267 56.024 56.287 0.006 0.000 0.794 308 K CB 2.155 34.660 32.500 0.009 0.000 1.181 308 K HN 0.640 nan 8.250 nan 0.000 0.425 309 G N 3.217 112.020 108.800 0.005 0.000 2.574 309 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.286 309 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.286 309 G C 0.247 175.150 174.900 0.005 0.000 1.212 309 G CA 0.644 45.747 45.100 0.006 0.000 0.979 309 G HN 0.762 nan 8.290 nan 0.000 0.557 310 D N 1.333 121.737 120.400 0.006 0.000 2.315 310 D HA 0.006 4.646 4.640 -0.001 0.000 0.211 310 D C 2.333 178.637 176.300 0.006 0.000 0.977 310 D CA 1.523 55.527 54.000 0.006 0.000 0.894 310 D CB -0.235 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 0.629 120.833 120.200 0.005 0.000 2.110 311 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 311 E C 1.777 178.377 176.600 0.001 0.000 0.988 311 E CA 0.720 57.122 56.400 0.003 0.000 0.804 311 E CB -0.090 29.612 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 -0.001 0.000 0.203 312 K C 1.172 177.775 176.600 0.006 0.000 1.045 312 K CA 1.186 57.474 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 0.009 0.000 2.327 313 D HA 0.040 4.679 4.640 -0.001 0.000 0.205 313 D C 0.723 177.036 176.300 0.022 0.000 0.989 313 D CA 0.236 54.245 54.000 0.015 0.000 0.873 313 D CB 0.130 40.938 40.800 0.013 0.000 0.955 313 D HN 0.097 nan 8.370 nan 0.000 0.515 314 L N 1.190 122.421 121.223 0.014 0.000 2.492 314 L HA 0.069 4.409 4.340 -0.001 0.000 0.280 314 L C 0.772 177.657 176.870 0.025 0.000 1.240 314 L CA 0.702 55.552 54.840 0.016 0.000 0.831 314 L CB 0.318 42.375 42.059 -0.003 0.000 1.100 314 L HN -0.131 nan 8.230 nan 0.000 0.505 315 E N -0.292 119.936 120.200 0.046 0.000 2.458 315 E HA 0.530 4.879 4.350 -0.001 0.000 0.278 315 E C 0.003 176.604 176.600 0.002 0.000 1.004 315 E CA -0.416 56.027 56.400 0.071 0.000 0.823 315 E CB 1.679 31.562 29.700 0.305 0.000 1.396 315 E HN 0.723 nan 8.360 nan 0.000 0.463 316 G N 1.124 109.787 108.800 -0.229 0.000 2.581 316 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.291 316 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.291 316 G C 0.592 175.365 174.900 -0.211 0.000 1.277 316 G CA 0.777 45.700 45.100 -0.296 0.000 0.959 316 G HN 0.579 nan 8.290 nan 0.000 0.554 317 K N 0.199 120.508 120.400 -0.150 0.000 2.074 317 K HA -0.059 4.260 4.320 -0.001 0.000 0.209 317 K C 3.117 179.631 176.600 -0.142 0.000 1.048 317 K CA 2.053 58.234 56.287 -0.176 0.000 0.926 317 K CB -0.442 31.972 32.500 -0.143 0.000 0.713 317 K HN 0.732 nan 8.250 nan 0.000 0.444 318 A N 1.487 124.259 122.820 -0.080 0.000 1.883 318 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 318 A C 2.142 179.688 177.584 -0.063 0.000 1.186 318 A CA 1.471 53.477 52.037 -0.052 0.000 0.624 318 A CB -0.573 18.417 19.000 -0.016 0.000 0.822 318 A HN 0.259 nan 8.150 nan 0.000 0.444 319 L N -0.981 120.194 121.223 -0.081 0.000 2.056 319 L HA -0.059 4.281 4.340 -0.001 0.000 0.207 319 L C 2.246 179.043 176.870 -0.120 0.000 1.078 319 L CA 1.944 56.732 54.840 -0.086 0.000 0.749 319 L CB -0.672 41.328 42.059 -0.097 0.000 0.901 319 L HN 0.354 nan 8.230 nan 0.000 0.433 320 L N -0.072 121.038 121.223 -0.189 0.000 1.970 320 L HA -0.260 4.080 4.340 -0.001 0.000 0.212 320 L C 2.526 179.291 176.870 -0.174 0.000 1.071 320 L CA 2.012 56.694 54.840 -0.263 0.000 0.751 320 L CB -0.737 41.064 42.059 -0.429 0.000 0.889 320 L HN 0.257 nan 8.230 nan 0.000 0.432 321 K N -1.169 119.155 120.400 -0.126 0.000 2.044 321 K HA -0.198 4.122 4.320 -0.001 0.000 0.210 321 K C 1.919 178.534 176.600 0.025 0.000 1.049 321 K CA 1.889 58.164 56.287 -0.021 0.000 0.927 321 K CB -0.551 31.935 32.500 -0.024 0.000 0.713 321 K HN 0.284 nan 8.250 nan 0.000 0.443 322 V N 0.854 120.765 119.914 -0.004 0.000 2.427 322 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 322 V C 2.224 178.333 176.094 0.025 0.000 1.051 322 V CA 1.342 63.652 62.300 0.016 0.000 1.048 322 V CB -0.155 31.669 31.823 0.001 0.000 0.666 322 V HN 0.110 nan 8.190 nan 0.000 0.456 323 V N -0.623 119.287 119.914 -0.007 0.000 2.379 323 V HA -0.222 3.897 4.120 -0.001 0.000 0.245 323 V C 2.435 178.570 176.094 0.069 0.000 1.044 323 V CA 1.673 63.974 62.300 0.002 0.000 1.036 323 V CB -0.441 31.347 31.823 -0.058 0.000 0.664 323 V HN 0.410 nan 8.190 nan 0.000 0.453 324 M N -0.659 118.970 119.600 0.048 0.000 2.229 324 M HA -0.095 4.385 4.480 -0.001 0.000 0.264 324 M C 2.279 178.705 176.300 0.211 0.000 1.063 324 M CA 1.526 56.879 55.300 0.087 0.000 1.114 324 M CB -1.075 31.431 32.600 -0.156 0.000 1.387 324 M HN 0.290 nan 8.290 nan 0.000 0.420 325 R N 0.180 120.797 120.500 0.195 0.000 2.092 325 R HA -0.101 4.239 4.340 -0.001 0.000 0.231 325 R C 2.218 178.611 176.300 0.155 0.000 1.119 325 R CA 1.133 57.348 56.100 0.192 0.000 0.970 325 R CB -0.096 30.289 30.300 0.142 0.000 0.864 325 R HN 0.381 nan 8.270 nan 0.000 0.440 326 K N -0.442 120.043 120.400 0.141 0.000 2.116 326 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 326 K C 1.802 178.515 176.600 0.189 0.000 1.052 326 K CA 0.896 57.261 56.287 0.129 0.000 0.952 326 K CB -0.121 32.437 32.500 0.096 0.000 0.729 326 K HN 0.039 nan 8.250 nan 0.000 0.446 327 F N 1.097 121.061 119.950 0.024 0.000 2.146 327 F HA 0.038 4.564 4.527 -0.001 0.000 0.298 327 F C 0.443 176.254 175.800 0.018 0.000 1.096 327 F CA 1.073 59.077 58.000 0.007 0.000 1.275 327 F CB 0.230 39.227 39.000 -0.006 0.000 1.008 327 F HN -0.185 nan 8.300 nan 0.000 0.480 328 L N 1.303 122.517 121.223 -0.015 0.000 2.448 328 L HA 0.305 4.645 4.340 -0.001 0.000 0.257 328 L C -2.603 174.353 176.870 0.144 0.000 1.504 328 L CA -1.755 53.045 54.840 -0.066 0.000 0.852 328 L CB 1.114 43.088 42.059 -0.142 0.000 1.051 328 L HN -0.205 nan 8.230 nan 0.000 0.518 329 P HA -0.020 nan 4.420 nan 0.000 0.257 329 P C 0.939 178.308 177.300 0.115 0.000 1.189 329 P CA 0.308 63.481 63.100 0.121 0.000 0.780 329 P CB 1.169 32.915 31.700 0.077 0.000 0.772 330 A N 5.934 128.735 122.820 -0.032 0.000 1.870 330 A HA -0.303 4.017 4.320 -0.001 0.000 0.219 330 A C 2.256 179.799 177.584 -0.069 0.000 1.224 330 A CA 2.671 54.640 52.037 -0.114 0.000 0.650 330 A CB -1.702 17.208 19.000 -0.150 0.000 0.836 330 A HN 0.490 nan 8.150 nan 0.000 0.454 331 A N -0.378 122.419 122.820 -0.038 0.000 1.940 331 A HA -0.338 3.981 4.320 -0.001 0.000 0.221 331 A C 1.731 179.299 177.584 -0.027 0.000 1.190 331 A CA 2.523 54.543 52.037 -0.028 0.000 0.647 331 A CB -0.994 18.003 19.000 -0.005 0.000 0.821 331 A HN 0.555 nan 8.150 nan 0.000 0.457 332 D N -0.331 120.063 120.400 -0.010 0.000 2.123 332 D HA -0.052 4.587 4.640 -0.001 0.000 0.196 332 D C 2.251 178.535 176.300 -0.028 0.000 0.992 332 D CA 1.633 55.629 54.000 -0.007 0.000 0.833 332 D CB -0.456 40.355 40.800 0.019 0.000 0.954 332 D HN 0.481 nan 8.370 nan 0.000 0.455 333 A N 0.453 123.248 122.820 -0.043 0.000 1.873 333 A HA -0.112 4.208 4.320 -0.001 0.000 0.215 333 A C 2.365 179.895 177.584 -0.091 0.000 1.186 333 A CA 0.985 52.977 52.037 -0.075 0.000 0.616 333 A CB -0.777 18.147 19.000 -0.127 0.000 0.823 333 A HN 0.212 nan 8.150 nan 0.000 0.442 334 L N -0.669 120.497 121.223 -0.095 0.000 2.017 334 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 334 L C 2.578 179.402 176.870 -0.077 0.000 1.073 334 L CA 1.201 55.985 54.840 -0.094 0.000 0.745 334 L CB -0.793 41.214 42.059 -0.087 0.000 0.894 334 L HN 0.336 nan 8.230 nan 0.000 0.432 335 L N -0.245 120.938 121.223 -0.066 0.000 2.079 335 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 335 L C 2.685 179.492 176.870 -0.104 0.000 1.081 335 L CA 1.254 56.050 54.840 -0.074 0.000 0.752 335 L CB -0.531 41.495 42.059 -0.055 0.000 0.896 335 L HN 0.363 nan 8.230 nan 0.000 0.433 336 E N 0.357 120.504 120.200 -0.088 0.000 2.051 336 E HA -0.248 4.101 4.350 -0.001 0.000 0.192 336 E C 2.328 178.876 176.600 -0.087 0.000 0.991 336 E CA 1.367 57.709 56.400 -0.096 0.000 0.799 336 E CB -0.018 29.649 29.700 -0.056 0.000 0.748 336 E HN 0.460 nan 8.360 nan 0.000 0.449 337 M N 0.119 119.696 119.600 -0.038 0.000 2.175 337 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 337 M C 2.303 178.601 176.300 -0.004 0.000 1.063 337 M CA 1.038 56.369 55.300 0.052 0.000 1.119 337 M CB -0.166 32.424 32.600 -0.017 0.000 1.377 337 M HN 0.175 nan 8.290 nan 0.000 0.415 338 I N -0.473 120.056 120.570 -0.068 0.000 2.142 338 I HA -0.255 3.914 4.170 -0.001 0.000 0.240 338 I C 2.339 178.368 176.117 -0.147 0.000 1.078 338 I CA 1.167 62.418 61.300 -0.082 0.000 1.343 338 I CB -0.395 37.559 38.000 -0.076 0.000 1.046 338 I HN 0.046 nan 8.210 nan 0.000 0.405 339 V N 0.917 120.681 119.914 -0.251 0.000 2.307 339 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 339 V C 2.294 178.127 176.094 -0.436 0.000 1.045 339 V CA 1.656 63.677 62.300 -0.465 0.000 1.024 339 V CB -0.442 30.948 31.823 -0.722 0.000 0.651 339 V HN 0.356 nan 8.190 nan 0.000 0.449 340 L N -1.056 119.928 121.223 -0.399 0.000 2.217 340 L HA -0.072 4.268 4.340 -0.001 0.000 0.211 340 L C 2.399 178.898 176.870 -0.619 0.000 1.107 340 L CA 1.212 55.744 54.840 -0.514 0.000 0.783 340 L CB -0.508 41.181 42.059 -0.617 0.000 0.919 340 L HN 0.482 nan 8.230 nan 0.000 0.442 341 H N -1.397 117.608 119.070 -0.108 0.000 2.657 341 H HA 0.291 4.846 4.556 -0.001 0.000 0.262 341 H C 0.848 176.144 175.328 -0.055 0.000 0.965 341 H CA -0.274 55.731 56.048 -0.073 0.000 1.184 341 H CB 0.545 30.263 29.762 -0.073 0.000 1.443 341 H HN 0.115 nan 8.280 nan 0.000 0.462 342 L N 4.706 125.951 121.223 0.037 0.000 2.426 342 L HA 0.136 4.475 4.340 -0.001 0.000 0.271 342 L C -1.902 174.976 176.870 0.015 0.000 1.169 342 L CA -1.612 53.241 54.840 0.022 0.000 0.836 342 L CB 0.396 42.455 42.059 0.000 0.000 1.112 342 L HN -0.040 nan 8.230 nan 0.000 0.465 343 P HA 0.088 nan 4.420 nan 0.000 0.274 343 P C -0.431 176.897 177.300 0.048 0.000 1.231 343 P CA -0.412 62.722 63.100 0.056 0.000 0.790 343 P CB 1.441 33.199 31.700 0.097 0.000 0.951 344 S N 2.823 118.553 115.700 0.050 0.000 2.232 344 S HA 0.384 4.854 4.470 -0.001 0.000 0.240 344 S C -1.737 172.884 174.600 0.035 0.000 1.224 344 S CA -0.444 57.785 58.200 0.048 0.000 1.019 344 S CB -0.957 62.277 63.200 0.057 0.000 1.039 344 S HN 0.277 nan 8.310 nan 0.000 0.439 345 P HA 0.365 nan 4.420 nan 0.000 0.233 345 P C 1.564 178.828 177.300 -0.059 0.000 1.119 345 P CA 0.067 63.136 63.100 -0.052 0.000 0.951 345 P CB 0.014 31.671 31.700 -0.072 0.000 1.004 346 V N 0.128 120.016 119.914 -0.043 0.000 2.287 346 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 346 V C 2.193 178.253 176.094 -0.057 0.000 1.053 346 V CA 2.738 65.013 62.300 -0.041 0.000 1.027 346 V CB -1.678 30.132 31.823 -0.022 0.000 0.646 346 V HN 0.184 nan 8.190 nan 0.000 0.447 347 T N 0.213 114.741 114.554 -0.043 0.000 2.737 347 T HA -0.117 4.233 4.350 -0.001 0.000 0.265 347 T C 2.040 176.622 174.700 -0.197 0.000 1.038 347 T CA 1.677 63.759 62.100 -0.030 0.000 1.144 347 T CB -0.406 68.490 68.868 0.045 0.000 0.866 347 T HN 0.565 nan 8.240 nan 0.000 0.434 348 A N 1.432 124.087 122.820 -0.276 0.000 1.897 348 A HA -0.087 4.232 4.320 -0.001 0.000 0.215 348 A C 2.208 179.354 177.584 -0.730 0.000 1.181 348 A CA 1.123 52.751 52.037 -0.682 0.000 0.620 348 A CB -0.608 18.246 19.000 -0.243 0.000 0.821 348 A HN 0.534 nan 8.150 nan 0.000 0.443 349 Q N -0.421 119.199 119.800 -0.300 0.000 2.439 349 Q HA -0.056 4.283 4.340 -0.001 0.000 0.211 349 Q C 2.133 178.017 176.000 -0.193 0.000 0.978 349 Q CA 0.815 56.520 55.803 -0.163 0.000 0.897 349 Q CB -0.357 28.381 28.738 -0.001 0.000 0.956 349 Q HN 0.703 nan 8.270 nan 0.000 0.483 350 A N 0.866 123.533 122.820 -0.255 0.000 1.968 350 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 350 A C 1.492 179.043 177.584 -0.055 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 -0.055 0.000 0.812 350 A HN 0.590 nan 8.150 nan 0.000 0.446 351 Y N -3.625 116.686 120.300 0.018 0.000 2.481 351 Y HA 0.589 5.139 4.550 -0.001 0.000 0.247 351 Y C 1.605 177.509 175.900 0.007 0.000 1.151 351 Y CA -0.315 57.792 58.100 0.012 0.000 1.238 351 Y CB -0.130 38.338 38.460 0.014 0.000 1.179 351 Y HN 0.085 nan 8.280 nan 0.000 0.524 352 R N 0.142 120.615 120.500 -0.046 0.000 2.307 352 R HA 0.370 4.709 4.340 -0.001 0.000 0.200 352 R C 2.243 178.515 176.300 -0.046 0.000 0.893 352 R CA 0.738 56.842 56.100 0.007 0.000 1.042 352 R CB 0.082 30.351 30.300 -0.052 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 -0.062 0.000 1.881 353 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 353 A C 1.754 179.325 177.584 -0.021 0.000 1.215 353 A CA 1.986 53.982 52.037 -0.069 0.000 0.648 353 A CB -0.524 18.445 19.000 -0.051 0.000 0.832 353 A HN 0.407 nan 8.150 nan 0.000 0.455 354 E N -0.653 119.556 120.200 0.014 0.000 2.085 354 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 354 E C 2.368 178.975 176.600 0.011 0.000 0.994 354 E CA 1.433 57.853 56.400 0.035 0.000 0.801 354 E CB -0.255 29.463 29.700 0.030 0.000 0.743 354 E HN 0.767 nan 8.360 nan 0.000 0.453 355 Q N 0.527 120.323 119.800 -0.008 0.000 2.016 355 Q HA -0.127 4.213 4.340 -0.001 0.000 0.200 355 Q C 2.483 178.443 176.000 -0.066 0.000 0.978 355 Q CA 1.022 56.808 55.803 -0.029 0.000 0.833 355 Q CB -0.206 28.520 28.738 -0.019 0.000 0.895 355 Q HN 0.306 nan 8.270 nan 0.000 0.427 356 L N -0.450 120.704 121.223 -0.116 0.000 2.129 356 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 356 L C 0.830 177.642 176.870 -0.096 0.000 1.087 356 L CA 0.682 55.388 54.840 -0.223 0.000 0.757 356 L CB -0.228 41.565 42.059 -0.443 0.000 0.896 356 L HN 0.196 nan 8.230 nan 0.000 0.434 357 Y N 0.705 120.899 120.300 -0.176 0.000 2.335 357 Y HA 0.146 4.696 4.550 -0.001 0.000 0.339 357 Y C 1.241 177.086 175.900 -0.091 0.000 0.987 357 Y CA -1.071 56.958 58.100 -0.118 0.000 1.140 357 Y CB 0.734 39.134 38.460 -0.100 0.000 1.173 357 Y HN -0.036 nan 8.280 nan 0.000 0.486 358 E N 3.318 123.231 120.200 -0.478 0.000 2.106 358 E HA -0.027 4.323 4.350 -0.001 0.000 0.192 358 E C 1.257 177.397 176.600 -0.767 0.000 0.984 358 E CA 0.821 56.946 56.400 -0.458 0.000 0.806 358 E CB -0.235 29.301 29.700 -0.273 0.000 0.750 358 E HN 0.906 nan 8.360 nan 0.000 0.458 359 G N 2.282 110.213 108.800 -1.449 0.000 2.518 359 G HA2 0.027 3.987 3.960 -0.001 0.000 0.284 359 G HA3 0.027 3.987 3.960 -0.001 0.000 0.284 359 G C -2.275 172.352 174.900 -0.454 0.000 1.362 359 G CA -0.689 43.688 45.100 -1.205 0.000 1.065 359 G HN 0.038 nan 8.290 nan 0.000 0.561 360 P HA 0.301 nan 4.420 nan 0.000 0.271 360 P C 0.369 177.737 177.300 0.113 0.000 1.216 360 P CA 0.334 63.441 63.100 0.011 0.000 0.771 360 P CB 1.300 33.032 31.700 0.054 0.000 0.864 361 A N 3.067 125.922 122.820 0.059 0.000 2.067 361 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 361 A C 1.369 178.988 177.584 0.058 0.000 1.158 361 A CA 1.842 53.920 52.037 0.069 0.000 0.661 361 A CB -1.087 17.933 19.000 0.034 0.000 0.801 361 A HN 0.673 nan 8.150 nan 0.000 0.452 362 D N -0.916 119.515 120.400 0.052 0.000 2.360 362 D HA 0.100 4.739 4.640 -0.001 0.000 0.210 362 D C 0.484 176.812 176.300 0.047 0.000 1.047 362 D CA 0.111 54.133 54.000 0.038 0.000 0.854 362 D CB -0.336 40.481 40.800 0.029 0.000 0.936 362 D HN 0.413 nan 8.370 nan 0.000 0.514 363 D N -0.277 120.172 120.400 0.083 0.000 2.449 363 D HA 0.156 4.796 4.640 -0.001 0.000 0.236 363 D C 1.539 177.859 176.300 0.033 0.000 1.149 363 D CA 0.462 54.524 54.000 0.103 0.000 0.878 363 D CB 1.078 42.030 40.800 0.253 0.000 1.198 363 D HN 0.098 nan 8.370 nan 0.000 0.446 364 A N 3.346 126.182 122.820 0.025 0.000 1.972 364 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 364 A C 1.809 179.351 177.584 -0.071 0.000 1.169 364 A CA 1.736 53.766 52.037 -0.013 0.000 0.635 364 A CB -0.633 18.369 19.000 0.003 0.000 0.810 364 A HN 0.775 nan 8.150 nan 0.000 0.446 365 N N -1.103 117.522 118.700 -0.125 0.000 2.250 365 N HA -0.081 4.658 4.740 -0.001 0.000 0.181 365 N C 1.604 176.830 175.510 -0.474 0.000 1.017 365 N CA 1.126 54.001 53.050 -0.292 0.000 0.866 365 N CB -0.593 37.679 38.487 -0.359 0.000 0.985 365 N HN 0.532 nan 8.380 nan 0.000 0.429 366 C N 0.724 119.723 119.300 -0.501 0.000 2.432 366 C HA 0.013 4.472 4.460 -0.001 0.000 0.277 366 C C 2.316 177.205 174.990 -0.169 0.000 1.249 366 C CA 0.495 59.296 59.018 -0.361 0.000 1.725 366 C CB -1.125 26.594 27.740 -0.036 0.000 2.028 366 C HN 0.338 nan 8.230 nan 0.000 0.477 367 I N 1.792 122.300 120.570 -0.104 0.000 2.208 367 I HA -0.141 4.028 4.170 -0.001 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 -0.060 0.000 1.363 367 I CB -1.848 36.130 38.000 -0.035 0.000 1.051 367 I HN 0.416 nan 8.210 nan 0.000 0.413 368 A N 0.914 123.682 122.820 -0.087 0.000 2.019 368 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 368 A C 2.201 179.750 177.584 -0.058 0.000 1.164 368 A CA 1.161 53.158 52.037 -0.067 0.000 0.644 368 A CB -0.454 18.503 19.000 -0.071 0.000 0.805 368 A HN 0.293 nan 8.150 nan 0.000 0.449 369 I N -0.031 120.483 120.570 -0.093 0.000 2.233 369 I HA -0.159 4.010 4.170 -0.001 0.000 0.243 369 I C 2.132 178.230 176.117 -0.031 0.000 1.093 369 I CA 1.298 62.567 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 0.975 121.344 120.400 -0.052 0.000 2.103 370 K HA -0.151 4.169 4.320 -0.001 0.000 0.207 370 K C 1.392 177.972 176.600 -0.033 0.000 1.048 370 K CA 1.239 57.501 56.287 -0.041 0.000 0.930 370 K CB -0.206 32.276 32.500 -0.031 0.000 0.716 370 K HN 0.371 nan 8.250 nan 0.000 0.444 371 N N 0.370 119.053 118.700 -0.028 0.000 2.336 371 N HA -0.036 4.704 4.740 -0.001 0.000 0.189 371 N C 0.352 175.850 175.510 -0.020 0.000 1.113 371 N CA 0.255 53.291 53.050 -0.022 0.000 0.858 371 N CB -0.054 38.421 38.487 -0.020 0.000 0.970 371 N HN 0.175 nan 8.380 nan 0.000 0.471 372 C N 2.295 121.588 119.300 -0.013 0.000 4.028 372 C HA -0.204 4.255 4.460 -0.001 0.000 0.300 372 C C -0.062 174.919 174.990 -0.016 0.000 1.399 372 C CA -0.528 58.486 59.018 -0.007 0.000 2.051 372 C CB -2.384 25.345 27.740 -0.019 0.000 1.318 372 C HN 0.344 nan 8.230 nan 0.000 0.696 373 D N 1.687 122.078 120.400 -0.016 0.000 2.338 373 D HA 0.250 4.890 4.640 -0.001 0.000 0.255 373 D C -0.347 175.942 176.300 -0.019 0.000 1.237 373 D CA -1.754 52.234 54.000 -0.019 0.000 0.883 373 D CB 1.125 41.912 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 0.507 63.594 63.100 -0.022 0.000 0.773 374 P CB 0.492 32.178 31.700 -0.025 0.000 0.878 375 K N -0.665 119.725 120.400 -0.018 0.000 2.367 375 K HA 0.279 4.598 4.320 -0.001 0.000 0.194 375 K C 1.279 177.870 176.600 -0.015 0.000 1.027 375 K CA -0.193 56.084 56.287 -0.016 0.000 1.075 375 K CB 0.380 32.871 32.500 -0.014 0.000 0.845 375 K HN 0.066 nan 8.250 nan 0.000 0.529 376 A N 1.431 124.241 122.820 -0.017 0.000 2.251 376 A HA 0.108 4.428 4.320 -0.001 0.000 0.278 376 A C -0.084 177.489 177.584 -0.017 0.000 1.206 376 A CA -0.383 51.643 52.037 -0.019 0.000 0.822 376 A CB 0.190 19.174 19.000 -0.027 0.000 1.187 376 A HN 0.044 nan 8.150 nan 0.000 0.504 377 D N -0.683 119.706 120.400 -0.018 0.000 2.368 377 D HA 0.264 4.904 4.640 -0.001 0.000 0.240 377 D C -0.058 176.234 176.300 -0.013 0.000 1.169 377 D CA 0.021 54.012 54.000 -0.015 0.000 0.906 377 D CB 0.578 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 1.670 122.888 121.223 -0.008 0.000 2.416 378 L HA 0.132 4.472 4.340 -0.001 0.000 0.272 378 L C -0.429 176.450 176.870 0.014 0.000 1.161 378 L CA 0.449 55.290 54.840 0.001 0.000 0.845 378 L CB 0.216 42.274 42.059 -0.002 0.000 1.119 378 L HN 0.212 nan 8.230 nan 0.000 0.464 379 M N 7.624 127.250 119.600 0.042 0.000 1.962 379 M HA 0.304 4.783 4.480 -0.001 0.000 0.227 379 M C -1.239 175.164 176.300 0.171 0.000 0.890 379 M CA -0.087 55.263 55.300 0.084 0.000 0.843 379 M CB 0.841 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 2.409 123.717 121.223 0.142 0.000 2.287 380 L HA 0.501 4.840 4.340 -0.001 0.000 0.287 380 L C -1.374 175.629 176.870 0.221 0.000 1.022 380 L CA -0.748 54.187 54.840 0.160 0.000 0.814 380 L CB 1.407 43.498 42.059 0.054 0.000 1.217 380 L HN 0.538 nan 8.230 nan 0.000 0.420 381 Y N 4.940 125.363 120.300 0.204 0.000 2.327 381 Y HA 0.374 4.924 4.550 -0.001 0.000 0.336 381 Y C -0.551 175.403 175.900 0.090 0.000 1.035 381 Y CA -0.350 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 -0.458 0.000 2.353 382 V HA 0.042 4.161 4.120 -0.001 0.000 0.264 382 V C 0.906 176.674 176.094 -0.543 0.000 1.049 382 V CA 0.397 62.486 62.300 -0.351 0.000 0.896 382 V CB 0.717 32.432 31.823 -0.180 0.000 1.025 382 V HN 1.046 nan 8.190 nan 0.000 0.475 383 S N 4.584 120.148 115.700 -0.227 0.000 2.368 383 S HA 0.001 4.471 4.470 -0.001 0.000 0.224 383 S C 0.688 175.356 174.600 0.114 0.000 1.029 383 S CA 1.480 59.705 58.200 0.042 0.000 0.988 383 S CB 0.025 63.413 63.200 0.313 0.000 0.838 383 S HN 0.895 nan 8.310 nan 0.000 0.462 384 K N -1.359 119.146 120.400 0.175 0.000 2.711 384 K HA 0.287 4.607 4.320 -0.001 0.000 0.294 384 K C -1.590 175.127 176.600 0.195 0.000 1.037 384 K CA -0.946 55.439 56.287 0.163 0.000 0.858 384 K CB 0.323 32.929 32.500 0.177 0.000 1.521 384 K HN -0.033 nan 8.250 nan 0.000 0.386 385 M N 2.372 122.080 119.600 0.180 0.000 2.157 385 M HA 0.305 4.785 4.480 -0.001 0.000 0.354 385 M C -0.616 175.853 176.300 0.282 0.000 1.170 385 M CA -0.907 54.543 55.300 0.250 0.000 1.060 385 M CB 1.060 33.800 32.600 0.234 0.000 1.615 385 M HN 0.559 nan 8.290 nan 0.000 0.460 386 V N 6.413 126.455 119.914 0.212 0.000 2.483 386 V HA 0.590 4.710 4.120 -0.001 0.000 0.295 386 V C -2.428 173.542 176.094 -0.206 0.000 1.035 386 V CA -2.100 60.218 62.300 0.029 0.000 0.896 386 V CB 2.084 33.890 31.823 -0.027 0.000 0.986 386 V HN 0.608 nan 8.190 nan 0.000 0.447 387 P HA 0.287 nan 4.420 nan 0.000 0.271 387 P C -0.589 176.362 177.300 -0.581 0.000 1.220 387 P CA 0.266 62.897 63.100 -0.782 0.000 0.768 387 P CB 0.601 31.984 31.700 -0.528 0.000 0.848 388 T N -1.760 112.402 114.554 -0.655 0.000 2.926 388 T HA 0.408 4.758 4.350 -0.001 0.000 0.289 388 T C 0.910 175.381 174.700 -0.381 0.000 1.054 388 T CA -0.410 61.362 62.100 -0.547 0.000 1.015 388 T CB 1.141 69.520 68.868 -0.815 0.000 1.167 388 T HN 0.199 nan 8.240 nan 0.000 0.526 389 S N -0.923 114.611 115.700 -0.276 0.000 2.575 389 S HA 0.091 4.561 4.470 -0.001 0.000 0.215 389 S C 0.511 175.037 174.600 -0.123 0.000 0.966 389 S CA -0.213 57.883 58.200 -0.174 0.000 0.911 389 S CB -0.377 62.748 63.200 -0.126 0.000 0.780 389 S HN 0.773 nan 8.310 nan 0.000 0.514 390 D N 3.337 123.653 120.400 -0.141 0.000 2.545 390 D HA 0.061 4.701 4.640 -0.001 0.000 0.227 390 D C -0.411 175.870 176.300 -0.032 0.000 1.150 390 D CA -0.012 53.958 54.000 -0.051 0.000 1.046 390 D CB -0.231 40.577 40.800 0.012 0.000 1.098 390 D HN -0.003 nan 8.370 nan 0.000 0.502 391 K N 1.960 122.341 120.400 -0.031 0.000 4.971 391 K HA -0.205 4.114 4.320 -0.001 0.000 0.296 391 K C 1.066 177.672 176.600 0.009 0.000 0.724 391 K CA 0.956 57.234 56.287 -0.013 0.000 0.844 391 K CB -1.728 30.773 32.500 0.001 0.000 1.993 391 K HN 0.763 nan 8.250 nan 0.000 0.384 392 G N 0.887 109.688 108.800 0.002 0.000 2.166 392 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.260 392 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.260 392 G C -0.043 174.970 174.900 0.188 0.000 0.986 392 G CA 0.389 45.544 45.100 0.091 0.000 0.683 392 G HN 0.435 nan 8.290 nan 0.000 0.527 393 R N -0.542 120.009 120.500 0.085 0.000 2.368 393 R HA 0.611 4.950 4.340 -0.001 0.000 0.302 393 R C -0.461 175.898 176.300 0.098 0.000 1.002 393 R CA -0.606 55.604 56.100 0.183 0.000 0.929 393 R CB 0.571 30.976 30.300 0.175 0.000 1.073 393 R HN 0.181 nan 8.270 nan 0.000 0.464 394 F N 2.802 122.780 119.950 0.048 0.000 2.427 394 F HA 0.333 4.860 4.527 -0.001 0.000 0.346 394 F C 0.072 176.025 175.800 0.255 0.000 1.120 394 F CA -0.940 57.090 58.000 0.050 0.000 1.033 394 F CB 1.125 40.142 39.000 0.028 0.000 1.126 394 F HN 0.241 nan 8.300 nan 0.000 0.462 395 Y N 1.740 122.114 120.300 0.123 0.000 2.310 395 Y HA 0.553 5.102 4.550 -0.001 0.000 0.326 395 Y C 0.418 176.402 175.900 0.141 0.000 1.151 395 Y CA -2.194 55.970 58.100 0.107 0.000 1.195 395 Y CB 0.951 39.454 38.460 0.072 0.000 1.210 395 Y HN 0.580 nan 8.280 nan 0.000 0.483 396 A N 4.061 127.040 122.820 0.266 0.000 2.366 396 A HA 0.450 4.769 4.320 -0.001 0.000 0.272 396 A C -1.138 176.580 177.584 0.223 0.000 1.135 396 A CA -0.268 51.885 52.037 0.194 0.000 0.804 396 A CB -0.336 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 0.077 0.000 2.469 397 F HA 0.711 5.237 4.527 -0.001 0.000 0.332 397 F C 0.415 176.243 175.800 0.047 0.000 1.103 397 F CA 0.377 58.416 58.000 0.066 0.000 0.979 397 F CB 1.601 40.643 39.000 0.070 0.000 1.137 397 F HN 0.873 nan 8.300 nan 0.000 0.463 398 G N 4.829 113.145 108.800 -0.807 0.000 2.494 398 G HA2 0.475 4.434 3.960 -0.001 0.000 0.308 398 G HA3 0.475 4.434 3.960 -0.001 0.000 0.308 398 G C -2.083 172.518 174.900 -0.498 0.000 1.263 398 G CA -1.166 43.608 45.100 -0.543 0.000 0.840 398 G HN 0.792 nan 8.290 nan 0.000 0.479 399 R N -0.485 119.880 120.500 -0.225 0.000 2.621 399 R HA 0.588 4.927 4.340 -0.001 0.000 0.284 399 R C -1.418 174.716 176.300 -0.277 0.000 0.998 399 R CA -0.552 55.355 56.100 -0.322 0.000 0.895 399 R CB 2.230 32.244 30.300 -0.477 0.000 1.195 399 R HN 0.409 nan 8.270 nan 0.000 0.450 400 V N 6.209 125.958 119.914 -0.276 0.000 2.405 400 V HA 0.177 4.297 4.120 -0.001 0.000 0.264 400 V C 0.328 176.273 176.094 -0.248 0.000 1.048 400 V CA 0.178 62.384 62.300 -0.157 0.000 0.966 400 V CB 0.574 32.331 31.823 -0.110 0.000 1.015 400 V HN 0.772 nan 8.190 nan 0.000 0.477 401 F N 2.735 122.671 119.950 -0.023 0.000 2.530 401 F HA 0.511 5.038 4.527 -0.001 0.000 0.292 401 F C 1.237 177.004 175.800 -0.056 0.000 1.109 401 F CA 0.813 58.788 58.000 -0.041 0.000 1.450 401 F CB 0.315 39.291 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 0.113 0.000 2.572 402 A HA 0.664 4.984 4.320 -0.001 0.000 0.295 402 A C 0.258 177.848 177.584 0.010 0.000 1.072 402 A CA -0.248 51.810 52.037 0.035 0.000 0.691 402 A CB 0.517 19.520 19.000 0.005 0.000 1.291 402 A HN 0.645 nan 8.150 nan 0.000 0.404 403 G N -0.123 108.672 108.800 -0.008 0.000 2.598 403 G HA2 0.390 4.349 3.960 -0.001 0.000 0.244 403 G HA3 0.390 4.349 3.960 -0.001 0.000 0.244 403 G C 0.208 175.098 174.900 -0.017 0.000 1.302 403 G CA 0.523 45.615 45.100 -0.012 0.000 0.903 403 G HN 2.897 nan 8.290 nan 0.000 0.575 404 T N -3.801 110.742 114.554 -0.018 0.000 2.993 404 T HA 0.638 4.987 4.350 -0.001 0.000 0.312 404 T C -0.579 174.108 174.700 -0.021 0.000 1.115 404 T CA 0.243 62.329 62.100 -0.023 0.000 1.027 404 T CB 1.759 70.613 68.868 -0.023 0.000 1.116 404 T HN 2.050 nan 8.240 nan 0.000 0.464 405 V N 3.160 123.060 119.914 -0.024 0.000 2.567 405 V HA 0.712 4.832 4.120 -0.001 0.000 0.289 405 V C -0.635 175.446 176.094 -0.022 0.000 1.049 405 V CA -0.298 61.989 62.300 -0.022 0.000 0.969 405 V CB 1.112 32.920 31.823 -0.025 0.000 0.995 405 V HN 1.024 nan 8.190 nan 0.000 0.471 406 K N 3.742 124.131 120.400 -0.019 0.000 2.385 406 K HA 0.543 4.862 4.320 -0.001 0.000 0.248 406 K C -0.658 175.931 176.600 -0.018 0.000 0.955 406 K CA -0.623 55.653 56.287 -0.018 0.000 0.816 406 K CB 2.025 34.516 32.500 -0.016 0.000 1.250 406 K HN 0.575 nan 8.250 nan 0.000 0.434 407 S N 0.609 116.298 115.700 -0.018 0.000 2.533 407 S HA 0.281 4.751 4.470 -0.001 0.000 0.282 407 S C 1.053 175.645 174.600 -0.014 0.000 1.304 407 S CA 0.658 58.847 58.200 -0.019 0.000 1.063 407 S CB 0.606 63.795 63.200 -0.018 0.000 0.881 407 S HN 0.945 nan 8.310 nan 0.000 0.493 408 G N 2.073 110.865 108.800 -0.013 0.000 2.143 408 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.248 408 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.248 408 G C -0.026 174.868 174.900 -0.009 0.000 0.991 408 G CA 0.344 45.439 45.100 -0.008 0.000 0.689 408 G HN 0.738 nan 8.290 nan 0.000 0.522 409 Q N 0.322 120.115 119.800 -0.012 0.000 2.288 409 Q HA 0.448 4.788 4.340 -0.001 0.000 0.254 409 Q C 0.155 176.146 176.000 -0.015 0.000 0.932 409 Q CA -0.406 55.389 55.803 -0.013 0.000 0.902 409 Q CB 0.417 29.146 28.738 -0.015 0.000 1.203 409 Q HN 0.341 nan 8.270 nan 0.000 0.415 410 K N 2.798 123.188 120.400 -0.017 0.000 2.316 410 K HA 0.292 4.611 4.320 -0.001 0.000 0.289 410 K C -0.964 175.620 176.600 -0.028 0.000 1.070 410 K CA -0.282 55.992 56.287 -0.023 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 -0.037 0.000 3.141 411 V HA 0.446 4.566 4.120 -0.001 0.000 0.312 411 V C -0.469 175.589 176.094 -0.059 0.000 1.157 411 V CA -1.246 61.029 62.300 -0.040 0.000 1.041 411 V CB 2.187 33.991 31.823 -0.032 0.000 1.071 411 V HN 0.662 nan 8.190 nan 0.000 0.441 412 R N 1.441 121.900 120.500 -0.068 0.000 2.275 412 R HA 0.580 4.920 4.340 -0.001 0.000 0.326 412 R C -0.921 175.314 176.300 -0.109 0.000 0.973 412 R CA -0.290 55.752 56.100 -0.097 0.000 0.854 412 R CB 0.973 31.203 30.300 -0.117 0.000 1.156 412 R HN 0.570 nan 8.270 nan 0.000 0.487 413 I N 4.019 124.549 120.570 -0.066 0.000 2.363 413 I HA 0.025 4.195 4.170 -0.001 0.000 0.292 413 I C 0.206 176.327 176.117 0.008 0.000 1.075 413 I CA 0.171 61.472 61.300 0.002 0.000 1.333 413 I CB 0.610 38.659 38.000 0.082 0.000 1.415 413 I HN 0.391 nan 8.210 nan 0.000 0.502 414 Q N 5.859 125.607 119.800 -0.086 0.000 2.394 414 Q HA 0.411 4.750 4.340 -0.001 0.000 0.259 414 Q C 0.456 176.493 176.000 0.061 0.000 1.021 414 Q CA -0.593 55.119 55.803 -0.152 0.000 0.805 414 Q CB 1.961 30.361 28.738 -0.563 0.000 1.226 414 Q HN 0.801 nan 8.270 nan 0.000 0.476 415 G N 2.641 111.557 108.800 0.194 0.000 2.527 415 G HA2 0.044 4.004 3.960 -0.001 0.000 0.279 415 G HA3 0.044 4.004 3.960 -0.001 0.000 0.279 415 G C -1.668 173.328 174.900 0.159 0.000 1.374 415 G CA -0.843 44.372 45.100 0.192 0.000 1.053 415 G HN 0.389 nan 8.290 nan 0.000 0.539 416 P HA 0.016 nan 4.420 nan 0.000 0.226 416 P C 0.969 178.341 177.300 0.119 0.000 1.153 416 P CA 0.788 63.958 63.100 0.118 0.000 0.777 416 P CB 0.268 32.025 31.700 0.094 0.000 0.794 417 N N -2.447 116.329 118.700 0.128 0.000 2.187 417 N HA 0.026 4.765 4.740 -0.001 0.000 0.212 417 N C -0.021 175.548 175.510 0.098 0.000 1.152 417 N CA -0.254 52.853 53.050 0.095 0.000 0.872 417 N CB 0.087 38.614 38.487 0.067 0.000 1.025 417 N HN 0.198 nan 8.380 nan 0.000 0.514 418 Y N 1.748 122.058 120.300 0.016 0.000 2.497 418 Y HA 0.181 4.731 4.550 -0.001 0.000 0.334 418 Y C -0.198 175.682 175.900 -0.033 0.000 1.199 418 Y CA 0.110 58.200 58.100 -0.017 0.000 1.425 418 Y CB 0.645 39.096 38.460 -0.014 0.000 1.291 418 Y HN -0.288 nan 8.280 nan 0.000 0.562 419 V N 8.607 128.088 119.914 -0.721 0.000 2.686 419 V HA 0.210 4.330 4.120 -0.001 0.000 0.306 419 V C -1.887 173.709 176.094 -0.830 0.000 1.065 419 V CA -1.665 60.340 62.300 -0.492 0.000 0.894 419 V CB 1.911 33.571 31.823 -0.272 0.000 1.004 419 V HN 0.675 nan 8.190 nan 0.000 0.424 420 P HA -0.188 nan 4.420 nan 0.000 0.218 420 P C 1.420 178.580 177.300 -0.233 0.000 1.147 420 P CA 1.873 64.841 63.100 -0.220 0.000 0.827 420 P CB 0.320 31.880 31.700 -0.233 0.000 0.778 421 G N -1.395 107.253 108.800 -0.253 0.000 2.441 421 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.212 421 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.212 421 G C 0.532 175.311 174.900 -0.202 0.000 1.164 421 G CA 0.190 45.185 45.100 -0.175 0.000 0.811 421 G HN 0.266 nan 8.290 nan 0.000 0.535 422 K N 0.273 120.501 120.400 -0.286 0.000 2.109 422 K HA 0.358 4.678 4.320 -0.001 0.000 0.243 422 K C 0.149 176.558 176.600 -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 33.453 32.500 -0.219 0.000 1.081 422 K HN 0.101 nan 8.250 nan 0.000 0.468 423 K N 0.538 120.812 120.400 -0.209 0.000 2.570 423 K HA 0.062 4.381 4.320 -0.001 0.000 0.210 423 K C -0.765 175.729 176.600 -0.177 0.000 1.048 423 K CA -0.360 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 0.873 121.155 120.400 -0.196 0.000 2.341 424 D HA 0.025 4.664 4.640 -0.001 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 41.390 40.800 -0.101 0.000 1.202 424 D HN 0.031 nan 8.370 nan 0.000 0.426 425 D N -1.245 119.119 120.400 -0.060 0.000 2.979 425 D HA -0.217 4.423 4.640 -0.001 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 0.268 121.347 121.223 -0.240 0.000 2.416 426 L HA 0.368 4.707 4.340 -0.001 0.000 0.272 426 L C -0.688 175.724 176.870 -0.763 0.000 1.161 426 L CA 0.414 55.124 54.840 -0.217 0.000 0.845 426 L CB 0.178 42.270 42.059 0.054 0.000 1.119 426 L HN -0.084 nan 8.230 nan 0.000 0.464 427 F N 5.891 125.788 119.950 -0.089 0.000 2.915 427 F HA 0.426 4.953 4.527 -0.001 0.000 0.350 427 F C -0.327 175.272 175.800 -0.335 0.000 1.248 427 F CA -0.513 57.329 58.000 -0.263 0.000 1.084 427 F CB 0.925 39.685 39.000 -0.401 0.000 1.391 427 F HN 0.234 nan 8.300 nan 0.000 0.548 428 I N 3.943 124.431 120.570 -0.137 0.000 2.342 428 I HA 0.495 4.665 4.170 -0.001 0.000 0.291 428 I C -0.246 175.755 176.117 -0.194 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 -0.082 0.000 1.400 428 I HN 0.440 nan 8.210 nan 0.000 0.488 429 K N 4.141 124.434 120.400 -0.178 0.000 2.597 429 K HA 0.684 5.004 4.320 -0.001 0.000 0.282 429 K C -1.324 175.240 176.600 -0.059 0.000 0.975 429 K CA -0.495 55.708 56.287 -0.140 0.000 0.867 429 K CB 1.917 34.257 32.500 -0.265 0.000 1.465 429 K HN 0.583 nan 8.250 nan 0.000 0.417 430 A N 2.711 125.522 122.820 -0.014 0.000 2.340 430 A HA 0.567 4.887 4.320 -0.001 0.000 0.268 430 A C -0.297 177.293 177.584 0.010 0.000 1.100 430 A CA -0.422 51.613 52.037 -0.004 0.000 0.803 430 A CB -0.053 18.949 19.000 0.003 0.000 1.043 430 A HN 0.606 nan 8.150 nan 0.000 0.488 431 I N 2.330 122.900 120.570 -0.000 0.000 2.337 431 I HA 0.029 4.198 4.170 -0.001 0.000 0.291 431 I C 1.217 177.329 176.117 -0.009 0.000 1.046 431 I CA 0.043 61.342 61.300 -0.001 0.000 1.324 431 I CB 1.145 39.138 38.000 -0.013 0.000 1.409 431 I HN 0.890 nan 8.210 nan 0.000 0.494 432 Q N 4.211 124.004 119.800 -0.012 0.000 2.084 432 Q HA -0.067 4.272 4.340 -0.001 0.000 0.202 432 Q C 0.478 176.454 176.000 -0.040 0.000 0.978 432 Q CA 1.317 57.107 55.803 -0.021 0.000 0.844 432 Q CB 0.171 28.895 28.738 -0.024 0.000 0.898 432 Q HN 0.464 nan 8.270 nan 0.000 0.426 433 R N -1.064 119.396 120.500 -0.067 0.000 2.594 433 R HA 0.349 4.688 4.340 -0.001 0.000 0.265 433 R C -2.089 174.162 176.300 -0.081 0.000 1.070 433 R CA -0.278 55.780 56.100 -0.070 0.000 0.909 433 R CB 2.022 32.270 30.300 -0.086 0.000 1.243 433 R HN -0.144 nan 8.270 nan 0.000 0.455 434 V N 4.620 124.503 119.914 -0.051 0.000 2.370 434 V HA 0.569 4.688 4.120 -0.001 0.000 0.283 434 V C -0.420 175.659 176.094 -0.024 0.000 1.023 434 V CA -0.552 61.724 62.300 -0.040 0.000 0.857 434 V CB 1.474 33.282 31.823 -0.026 0.000 0.985 434 V HN 0.583 nan 8.190 nan 0.000 0.443 435 V N 3.984 123.890 119.914 -0.012 0.000 2.769 435 V HA 0.661 4.780 4.120 -0.001 0.000 0.312 435 V C -0.486 175.648 176.094 0.066 0.000 1.061 435 V CA -0.999 61.319 62.300 0.030 0.000 0.931 435 V CB 1.949 33.800 31.823 0.046 0.000 1.010 435 V HN 0.618 nan 8.190 nan 0.000 0.433 436 L N 4.632 125.901 121.223 0.077 0.000 2.331 436 L HA 0.430 4.770 4.340 -0.001 0.000 0.278 436 L C 0.189 177.139 176.870 0.134 0.000 1.106 436 L CA -0.247 54.649 54.840 0.093 0.000 0.824 436 L CB 1.195 43.302 42.059 0.079 0.000 1.142 436 L HN 0.552 nan 8.230 nan 0.000 0.443 437 M N 5.795 125.492 119.600 0.162 0.000 2.261 437 M HA 0.306 4.786 4.480 -0.001 0.000 0.349 437 M C -0.559 175.823 176.300 0.137 0.000 1.305 437 M CA 0.239 55.643 55.300 0.174 0.000 1.240 437 M CB 0.610 33.362 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 -0.001 0.000 0.340 438 M C 0.966 177.339 176.300 0.120 0.000 1.099 438 M CA -0.183 55.198 55.300 0.135 0.000 1.053 438 M CB 0.507 33.204 32.600 0.162 0.000 1.284 438 M HN 0.926 nan 8.290 nan 0.000 0.410 439 G N 3.237 112.062 108.800 0.041 0.000 2.543 439 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.286 439 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.286 439 G C 0.590 175.397 174.900 -0.155 0.000 1.153 439 G CA 0.069 45.150 45.100 -0.032 0.000 0.968 439 G HN 0.694 nan 8.290 nan 0.000 0.544 440 R N -0.069 120.209 120.500 -0.370 0.000 2.317 440 R HA 0.344 4.683 4.340 -0.001 0.000 0.208 440 R C 0.178 176.039 176.300 -0.731 0.000 0.914 440 R CA 0.261 55.990 56.100 -0.617 0.000 1.060 440 R CB 0.053 29.855 30.300 -0.831 0.000 1.015 440 R HN 0.247 nan 8.270 nan 0.000 0.498 441 F N -0.144 119.802 119.950 -0.007 0.000 2.557 441 F HA 0.444 4.971 4.527 -0.001 0.000 0.336 441 F C 0.413 176.239 175.800 0.043 0.000 1.058 441 F CA -1.468 56.540 58.000 0.012 0.000 0.988 441 F CB 1.034 40.042 39.000 0.014 0.000 1.275 441 F HN -0.349 nan 8.300 nan 0.000 0.488 442 V N -1.209 118.873 119.914 0.280 0.000 3.001 442 V HA 0.883 5.002 4.120 -0.001 0.000 0.314 442 V C -1.482 174.709 176.094 0.162 0.000 1.099 442 V CA -0.844 61.580 62.300 0.207 0.000 0.989 442 V CB 1.935 33.902 31.823 0.240 0.000 1.040 442 V HN 0.719 nan 8.190 nan 0.000 0.434 443 E N 2.379 122.650 120.200 0.119 0.000 2.343 443 E HA 0.586 4.936 4.350 -0.001 0.000 0.260 443 E C -3.042 173.590 176.600 0.054 0.000 0.908 443 E CA -2.022 54.425 56.400 0.077 0.000 0.814 443 E CB 2.169 31.909 29.700 0.066 0.000 1.302 443 E HN 0.646 nan 8.360 nan 0.000 0.408 444 P HA 0.127 nan 4.420 nan 0.000 0.265 444 P C -0.612 176.695 177.300 0.013 0.000 1.187 444 P CA 0.279 63.390 63.100 0.019 0.000 0.766 444 P CB 0.498 32.206 31.700 0.013 0.000 0.820 445 I N 1.738 122.310 120.570 0.004 0.000 2.994 445 I HA 0.216 4.385 4.170 -0.001 0.000 0.306 445 I C 0.494 176.607 176.117 -0.007 0.000 1.195 445 I CA -0.708 60.593 61.300 0.000 0.000 1.001 445 I CB 2.437 40.439 38.000 0.003 0.000 1.244 445 I HN 0.207 nan 8.210 nan 0.000 0.437 446 D N 2.100 122.495 120.400 -0.009 0.000 2.120 446 D HA 0.000 4.640 4.640 -0.001 0.000 0.202 446 D C -0.483 175.808 176.300 -0.014 0.000 0.972 446 D CA 1.356 55.349 54.000 -0.012 0.000 0.837 446 D CB 0.117 40.910 40.800 -0.011 0.000 0.989 446 D HN 0.690 nan 8.370 nan 0.000 0.469 447 D N -1.804 118.587 120.400 -0.015 0.000 2.664 447 D HA 0.402 5.041 4.640 -0.001 0.000 0.292 447 D C -1.195 175.093 176.300 -0.021 0.000 1.214 447 D CA -0.913 53.076 54.000 -0.018 0.000 0.932 447 D CB 1.838 42.627 40.800 -0.018 0.000 1.420 447 D HN 0.013 nan 8.370 nan 0.000 0.471 448 C N 1.374 120.659 119.300 -0.026 0.000 2.817 448 C HA 0.614 5.074 4.460 -0.001 0.000 0.385 448 C C -2.873 172.094 174.990 -0.038 0.000 1.050 448 C CA -0.884 58.115 59.018 -0.032 0.000 1.245 448 C CB 0.985 28.703 27.740 -0.036 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 -0.255 177.010 177.300 -0.057 0.000 1.266 449 P CA 0.046 63.121 63.100 -0.042 0.000 0.807 449 P CB 0.895 32.574 31.700 -0.036 0.000 1.094 450 A N 0.280 123.069 122.820 -0.053 0.000 2.565 450 A HA 0.374 4.693 4.320 -0.001 0.000 0.237 450 A C 1.422 178.951 177.584 -0.092 0.000 1.053 450 A CA 1.101 53.097 52.037 -0.068 0.000 0.755 450 A CB -1.657 17.321 19.000 -0.037 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 -0.154 0.000 2.218 451 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.216 451 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.216 451 G C 0.109 174.908 174.900 -0.168 0.000 0.994 451 G CA 0.123 45.127 45.100 -0.160 0.000 0.637 451 G HN 0.826 nan 8.290 nan 0.000 0.505 452 N N 0.010 118.614 118.700 -0.160 0.000 2.472 452 N HA 0.662 5.401 4.740 -0.001 0.000 0.289 452 N C -0.579 174.831 175.510 -0.168 0.000 1.156 452 N CA -0.417 52.556 53.050 -0.129 0.000 0.940 452 N CB 1.644 40.083 38.487 -0.080 0.000 1.200 452 N HN 0.088 nan 8.380 nan 0.000 0.511 453 I N 1.223 121.721 120.570 -0.120 0.000 2.499 453 I HA 0.400 4.570 4.170 -0.001 0.000 0.296 453 I C 0.069 176.124 176.117 -0.104 0.000 0.992 453 I CA -0.144 61.065 61.300 -0.153 0.000 1.297 453 I CB 0.840 38.817 38.000 -0.039 0.000 1.410 453 I HN 0.439 nan 8.210 nan 0.000 0.507 454 I N 2.684 123.154 120.570 -0.167 0.000 2.961 454 I HA 0.654 4.823 4.170 -0.001 0.000 0.303 454 I C -0.878 175.220 176.117 -0.032 0.000 1.505 454 I CA -0.177 61.090 61.300 -0.056 0.000 0.964 454 I CB 2.141 40.104 38.000 -0.061 0.000 1.348 454 I HN 0.508 nan 8.210 nan 0.000 0.508 455 G N 4.488 113.327 108.800 0.064 0.000 2.461 455 G HA2 0.695 4.654 3.960 -0.001 0.000 0.323 455 G HA3 0.695 4.654 3.960 -0.001 0.000 0.323 455 G C -1.787 173.130 174.900 0.028 0.000 1.229 455 G CA -0.570 44.600 45.100 0.118 0.000 0.941 455 G HN 0.565 nan 8.290 nan 0.000 0.477 456 L N 1.994 123.225 121.223 0.013 0.000 2.341 456 L HA 0.601 4.941 4.340 -0.001 0.000 0.278 456 L C -0.064 176.722 176.870 -0.141 0.000 1.005 456 L CA -1.235 53.574 54.840 -0.053 0.000 0.818 456 L CB 1.965 44.014 42.059 -0.018 0.000 1.259 456 L HN 0.375 nan 8.230 nan 0.000 0.418 457 V N 2.440 122.192 119.914 -0.271 0.000 2.483 457 V HA 0.852 4.972 4.120 -0.001 0.000 0.295 457 V C 0.681 176.682 176.094 -0.156 0.000 1.035 457 V CA 0.786 62.831 62.300 -0.425 0.000 0.896 457 V CB 1.191 32.563 31.823 -0.752 0.000 0.986 457 V HN 0.978 nan 8.190 nan 0.000 0.447 458 G N 5.249 114.013 108.800 -0.061 0.000 2.184 458 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.206 458 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.206 458 G C 0.279 175.228 174.900 0.082 0.000 0.995 458 G CA 0.154 45.265 45.100 0.019 0.000 0.651 458 G HN 0.785 nan 8.290 nan 0.000 0.511 459 I N 1.628 122.246 120.570 0.080 0.000 3.728 459 I HA 0.142 4.312 4.170 -0.001 0.000 0.307 459 I C 1.991 178.133 176.117 0.043 0.000 1.276 459 I CA 0.924 62.303 61.300 0.132 0.000 1.285 459 I CB -0.800 37.261 38.000 0.101 0.000 1.038 459 I HN 0.083 nan 8.210 nan 0.000 0.445 460 D N 2.275 122.681 120.400 0.010 0.000 2.355 460 D HA -0.302 4.337 4.640 -0.001 0.000 0.192 460 D C 2.209 178.384 176.300 -0.209 0.000 1.014 460 D CA 2.067 56.042 54.000 -0.042 0.000 0.862 460 D CB -0.482 40.321 40.800 0.004 0.000 0.986 460 D HN 0.421 nan 8.370 nan 0.000 0.456 461 Q N 0.291 119.849 119.800 -0.402 0.000 2.135 461 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 461 Q C 2.132 177.714 176.000 -0.697 0.000 0.981 461 Q CA 1.385 56.822 55.803 -0.610 0.000 0.856 461 Q CB -0.863 27.354 28.738 -0.868 0.000 0.902 461 Q HN 0.417 nan 8.270 nan 0.000 0.425 462 F N 0.204 119.941 119.950 -0.354 0.000 2.416 462 F HA 0.250 4.777 4.527 -0.001 0.000 0.296 462 F C 0.877 176.441 175.800 -0.393 0.000 1.099 462 F CA -0.019 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 0.179 121.362 121.223 -0.066 0.000 2.408 463 L HA 0.561 4.901 4.340 -0.001 0.000 0.268 463 L C -1.133 175.705 176.870 -0.054 0.000 0.986 463 L CA -0.672 54.155 54.840 -0.021 0.000 0.820 463 L CB 1.977 44.054 42.059 0.030 0.000 1.303 463 L HN -0.140 nan 8.230 nan 0.000 0.411 464 L N 5.804 126.998 121.223 -0.048 0.000 2.415 464 L HA 0.533 4.873 4.340 -0.001 0.000 0.268 464 L C 0.048 176.902 176.870 -0.027 0.000 0.984 464 L CA -0.596 54.202 54.840 -0.071 0.000 0.853 464 L CB 1.370 43.364 42.059 -0.108 0.000 1.215 464 L HN 0.724 nan 8.230 nan 0.000 0.419 465 K N 0.006 120.403 120.400 -0.006 0.000 5.647 465 K HA -0.148 4.171 4.320 -0.001 0.000 0.463 465 K C 0.003 176.600 176.600 -0.005 0.000 1.759 465 K CA 0.934 57.231 56.287 0.017 0.000 0.955 465 K CB -0.742 31.770 32.500 0.021 0.000 1.358 465 K HN 0.751 nan 8.250 nan 0.000 0.433 466 T N -0.404 114.143 114.554 -0.013 0.000 2.860 466 T HA 0.554 4.903 4.350 -0.001 0.000 0.299 466 T C 0.588 175.240 174.700 -0.080 0.000 1.045 466 T CA 0.262 62.303 62.100 -0.099 0.000 1.071 466 T CB 1.443 70.286 68.868 -0.041 0.000 0.985 466 T HN 0.869 nan 8.240 nan 0.000 0.537 467 G N -0.148 108.549 108.800 -0.173 0.000 2.490 467 G HA2 0.580 4.539 3.960 -0.001 0.000 0.308 467 G HA3 0.580 4.539 3.960 -0.001 0.000 0.308 467 G C -1.369 173.494 174.900 -0.061 0.000 1.286 467 G CA -0.799 44.266 45.100 -0.059 0.000 0.825 467 G HN 0.887 nan 8.290 nan 0.000 0.479 468 T N 0.566 115.122 114.554 0.004 0.000 3.548 468 T HA 0.446 4.796 4.350 -0.001 0.000 0.329 468 T C -1.254 173.448 174.700 0.004 0.000 0.960 468 T CA -0.356 61.774 62.100 0.050 0.000 1.041 468 T CB 1.291 70.223 68.868 0.108 0.000 1.065 468 T HN 0.391 nan 8.240 nan 0.000 0.459 469 L N 3.993 125.228 121.223 0.019 0.000 2.292 469 L HA 0.759 5.099 4.340 -0.001 0.000 0.284 469 L C 0.874 177.743 176.870 -0.002 0.000 1.065 469 L CA 0.093 54.929 54.840 -0.007 0.000 0.806 469 L CB 1.297 43.356 42.059 0.000 0.000 1.175 469 L HN 0.879 nan 8.230 nan 0.000 0.431 470 T N -2.149 112.384 114.554 -0.036 0.000 2.883 470 T HA 0.397 4.746 4.350 -0.001 0.000 0.296 470 T C 0.134 174.813 174.700 -0.034 0.000 1.117 470 T CA -0.511 61.573 62.100 -0.026 0.000 1.006 470 T CB 1.729 70.576 68.868 -0.034 0.000 1.191 470 T HN 0.301 nan 8.240 nan 0.000 0.508 471 T N 0.713 115.255 114.554 -0.021 0.000 3.200 471 T HA 0.428 4.778 4.350 -0.001 0.000 0.284 471 T C -0.041 174.650 174.700 -0.014 0.000 1.009 471 T CA -0.117 61.971 62.100 -0.020 0.000 0.907 471 T CB -0.359 68.500 68.868 -0.016 0.000 1.120 471 T HN 0.829 nan 8.240 nan 0.000 0.534 472 S N 0.235 115.929 115.700 -0.010 0.000 2.519 472 S HA 0.402 4.871 4.470 -0.001 0.000 0.309 472 S C 0.722 175.328 174.600 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 2.668 122.878 120.200 0.016 0.000 2.338 473 E HA -0.079 4.271 4.350 -0.001 0.000 0.197 473 E C 0.907 177.537 176.600 0.051 0.000 1.007 473 E CA 1.177 57.595 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 0.169 4.518 4.350 -0.001 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 0.092 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 1.873 124.756 122.820 0.104 0.000 2.591 475 A HA 0.042 4.362 4.320 -0.001 0.000 0.244 475 A C -0.033 177.662 177.584 0.186 0.000 1.031 475 A CA 0.486 52.621 52.037 0.163 0.000 0.767 475 A CB -0.379 18.669 19.000 0.079 0.000 0.942 475 A HN 0.579 nan 8.150 nan 0.000 0.514 476 H N 1.605 120.857 119.070 0.304 0.000 2.495 476 H HA 0.279 4.835 4.556 -0.001 0.000 0.350 476 H C 0.752 176.174 175.328 0.157 0.000 1.202 476 H CA -0.033 56.098 56.048 0.139 0.000 1.322 476 H CB 0.647 30.284 29.762 -0.209 0.000 1.544 476 H HN 0.805 nan 8.280 nan 0.000 0.565 477 N N 1.212 120.054 118.700 0.237 0.000 2.483 477 N HA 0.103 4.842 4.740 -0.001 0.000 0.269 477 N C -0.253 175.344 175.510 0.146 0.000 1.209 477 N CA -0.059 53.100 53.050 0.182 0.000 0.969 477 N CB 0.854 39.449 38.487 0.179 0.000 1.173 477 N HN 0.445 nan 8.380 nan 0.000 0.475 478 M N 0.966 120.677 119.600 0.185 0.000 2.116 478 M HA 0.287 4.767 4.480 -0.001 0.000 0.235 478 M C 0.845 177.195 176.300 0.084 0.000 1.193 478 M CA 0.030 55.406 55.300 0.126 0.000 0.959 478 M CB 0.734 33.415 32.600 0.135 0.000 1.313 478 M HN 0.404 nan 8.290 nan 0.000 0.530 479 K N -0.607 119.776 120.400 -0.030 0.000 1.726 479 K HA 0.629 4.949 4.320 -0.001 0.000 0.278 479 K C -0.930 175.679 176.600 0.015 0.000 0.842 479 K CA -0.271 56.010 56.287 -0.010 0.000 0.597 479 K CB 1.731 34.203 32.500 -0.047 0.000 2.677 479 K HN 0.514 nan 8.250 nan 0.000 0.945 480 V N -0.324 119.606 119.914 0.026 0.000 4.235 480 V HA 0.186 4.306 4.120 -0.001 0.000 0.562 480 V C -0.154 175.978 176.094 0.064 0.000 1.869 480 V CA -0.052 62.278 62.300 0.051 0.000 2.334 480 V CB -0.291 31.566 31.823 0.058 0.000 1.069 480 V HN 0.986 nan 8.190 nan 0.000 0.558 481 M N -0.117 119.529 119.600 0.076 0.000 7.319 481 M HA -0.212 4.268 4.480 -0.001 0.000 0.181 481 M C -0.480 175.885 176.300 0.109 0.000 0.480 481 M CA 1.831 57.202 55.300 0.118 0.000 1.311 481 M CB -0.386 32.342 32.600 0.213 0.000 0.421 481 M HN 0.382 nan 8.290 nan 0.000 0.232 482 K N 2.007 122.702 120.400 0.492 0.000 2.265 482 K HA 0.620 4.939 4.320 -0.001 0.000 0.267 482 K C -1.460 175.376 176.600 0.393 0.000 0.994 482 K CA 0.273 56.677 56.287 0.194 0.000 0.860 482 K CB 0.138 32.742 32.500 0.172 0.000 1.099 482 K HN 1.111 nan 8.250 nan 0.000 0.448 483 F N -1.801 118.478 119.950 0.548 0.000 2.183 483 F HA -0.190 4.337 4.527 -0.001 0.000 0.318 483 F C -0.687 175.289 175.800 0.292 0.000 1.293 483 F CA -0.662 57.533 58.000 0.325 0.000 0.912 483 F CB -1.685 37.429 39.000 0.191 0.000 4.134 483 F HN 0.390 nan 8.300 nan 0.000 0.138 484 S N 0.149 116.148 115.700 0.497 0.000 2.568 484 S HA 0.580 5.050 4.470 -0.001 0.000 0.282 484 S C 0.636 175.409 174.600 0.288 0.000 1.338 484 S CA 0.015 58.428 58.200 0.356 0.000 1.045 484 S CB 1.035 64.385 63.200 0.251 0.000 0.873 484 S HN 2.026 nan 8.310 nan 0.000 0.516 485 V N 1.205 121.247 119.914 0.213 0.000 3.330 485 V HA 0.470 4.590 4.120 -0.001 0.000 0.309 485 V C 0.134 176.289 176.094 0.103 0.000 1.481 485 V CA -0.346 62.036 62.300 0.136 0.000 1.068 485 V CB 0.105 31.995 31.823 0.112 0.000 0.935 485 V HN 0.531 nan 8.190 nan 0.000 0.453 486 S N 2.373 118.147 115.700 0.124 0.000 2.472 486 S HA 0.619 5.088 4.470 -0.001 0.000 0.303 486 S C -2.675 172.004 174.600 0.131 0.000 1.099 486 S CA -0.950 57.318 58.200 0.113 0.000 1.077 486 S CB 1.745 65.011 63.200 0.110 0.000 1.031 486 S HN 0.223 nan 8.310 nan 0.000 0.487 487 P HA 0.050 nan 4.420 nan 0.000 0.232 487 P C 0.992 178.382 177.300 0.150 0.000 1.738 487 P CA -0.070 63.120 63.100 0.151 0.000 0.948 487 P CB -0.655 31.134 31.700 0.148 0.000 1.943 488 V N -2.146 117.859 119.914 0.151 0.000 2.970 488 V HA -0.020 4.100 4.120 -0.001 0.000 0.260 488 V C 0.751 176.948 176.094 0.170 0.000 1.100 488 V CA 0.733 63.123 62.300 0.149 0.000 1.122 488 V CB -0.564 31.350 31.823 0.152 0.000 0.721 488 V HN -0.041 nan 8.190 nan 0.000 0.483 489 V N 3.105 123.121 119.914 0.170 0.000 2.347 489 V HA 0.517 4.637 4.120 -0.001 0.000 0.280 489 V C -0.328 175.843 176.094 0.129 0.000 1.021 489 V CA -0.369 62.030 62.300 0.164 0.000 0.847 489 V CB 0.728 32.639 31.823 0.147 0.000 0.990 489 V HN 0.704 nan 8.190 nan 0.000 0.444 490 Q N 4.041 123.917 119.800 0.127 0.000 2.389 490 Q HA 0.877 5.217 4.340 -0.001 0.000 0.277 490 Q C -1.158 174.866 176.000 0.040 0.000 1.082 490 Q CA -0.982 54.869 55.803 0.080 0.000 0.810 490 Q CB 3.162 31.964 28.738 0.107 0.000 1.374 490 Q HN 0.608 nan 8.270 nan 0.000 0.422 491 V N -2.744 117.167 119.914 -0.006 0.000 3.130 491 V HA 0.978 5.098 4.120 -0.001 0.000 0.310 491 V C -0.920 175.147 176.094 -0.045 0.000 1.158 491 V CA -1.178 61.107 62.300 -0.024 0.000 1.029 491 V CB 1.615 33.420 31.823 -0.030 0.000 1.057 491 V HN 0.919 nan 8.190 nan 0.000 0.436 492 A N 1.545 124.344 122.820 -0.036 0.000 2.301 492 A HA 0.829 5.148 4.320 -0.001 0.000 0.298 492 A C -0.415 177.160 177.584 -0.016 0.000 1.185 492 A CA -0.555 51.462 52.037 -0.033 0.000 0.830 492 A CB 0.925 19.913 19.000 -0.020 0.000 1.112 492 A HN 1.366 nan 8.150 nan 0.000 0.508 493 V N 2.355 122.271 119.914 0.002 0.000 2.555 493 V HA 0.672 4.792 4.120 -0.001 0.000 0.302 493 V C -0.041 176.077 176.094 0.040 0.000 1.038 493 V CA -0.481 61.824 62.300 0.007 0.000 0.887 493 V CB 1.465 33.278 31.823 -0.017 0.000 0.991 493 V HN 1.021 nan 8.190 nan 0.000 0.434 494 E N 2.566 122.778 120.200 0.021 0.000 2.372 494 E HA 0.531 4.881 4.350 -0.001 0.000 0.279 494 E C -1.212 175.392 176.600 0.007 0.000 0.946 494 E CA -0.745 55.676 56.400 0.035 0.000 0.769 494 E CB 2.716 32.444 29.700 0.045 0.000 1.230 494 E HN 0.642 nan 8.360 nan 0.000 0.442 495 V N 1.757 121.673 119.914 0.002 0.000 2.715 495 V HA 0.245 4.364 4.120 -0.001 0.000 0.299 495 V C 0.878 176.972 176.094 -0.001 0.000 1.054 495 V CA -0.063 62.232 62.300 -0.009 0.000 1.077 495 V CB 1.196 33.010 31.823 -0.015 0.000 0.972 495 V HN 0.783 nan 8.190 nan 0.000 0.484 496 K N 2.132 122.529 120.400 -0.006 0.000 2.288 496 K HA 0.028 4.348 4.320 -0.001 0.000 0.201 496 K C 0.724 177.323 176.600 -0.003 0.000 1.048 496 K CA 0.769 57.054 56.287 -0.003 0.000 0.956 496 K CB 0.022 32.519 32.500 -0.006 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 -0.006 0.000 2.569 497 N HA 0.155 4.894 4.740 -0.001 0.000 0.254 497 N C 0.355 175.862 175.510 -0.004 0.000 1.004 497 N CA 0.056 53.102 53.050 -0.006 0.000 0.904 497 N CB 1.446 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 4.066 126.887 122.820 0.000 0.000 1.957 498 A HA -0.302 4.017 4.320 -0.001 0.000 0.224 498 A C 1.687 179.271 177.584 0.000 0.000 1.287 498 A CA 1.863 53.903 52.037 0.004 0.000 0.682 498 A CB -0.502 18.501 19.000 0.005 0.000 0.833 498 A HN 0.819 nan 8.150 nan 0.000 0.482 499 N N 0.086 118.784 118.700 -0.003 0.000 2.519 499 N HA -0.107 4.633 4.740 -0.001 0.000 0.186 499 N C 0.537 176.041 175.510 -0.010 0.000 1.062 499 N CA 1.301 54.348 53.050 -0.006 0.000 0.910 499 N CB -0.365 38.118 38.487 -0.007 0.000 0.958 499 N HN 0.558 nan 8.380 nan 0.000 0.445 500 D N 0.873 121.265 120.400 -0.013 0.000 2.347 500 D HA 0.056 4.696 4.640 -0.001 0.000 0.213 500 D C 2.052 178.335 176.300 -0.028 0.000 0.985 500 D CA -0.078 53.909 54.000 -0.021 0.000 0.879 500 D CB 0.201 40.987 40.800 -0.025 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 -0.020 0.000 2.085 501 L HA -0.229 4.111 4.340 -0.001 0.000 0.218 501 L C -0.451 176.394 176.870 -0.042 0.000 1.080 501 L CA 1.754 56.580 54.840 -0.024 0.000 0.776 501 L CB -1.717 40.348 42.059 0.011 0.000 0.891 501 L HN 0.082 nan 8.230 nan 0.000 0.437 502 P HA -0.171 nan 4.420 nan 0.000 0.216 502 P C 1.295 178.569 177.300 -0.044 0.000 1.153 502 P CA 1.389 64.471 63.100 -0.030 0.000 0.848 502 P CB 0.028 31.716 31.700 -0.020 0.000 0.787 503 K N -1.013 119.361 120.400 -0.042 0.000 2.097 503 K HA -0.096 4.224 4.320 -0.001 0.000 0.205 503 K C 1.952 178.516 176.600 -0.060 0.000 1.050 503 K CA 0.873 57.135 56.287 -0.042 0.000 0.938 503 K CB -0.818 31.661 32.500 -0.035 0.000 0.718 503 K HN 0.067 nan 8.250 nan 0.000 0.442 504 L N 1.163 122.333 121.223 -0.088 0.000 2.005 504 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 504 L C 1.984 178.741 176.870 -0.188 0.000 1.072 504 L CA 1.565 56.323 54.840 -0.137 0.000 0.744 504 L CB -0.486 41.467 42.059 -0.178 0.000 0.895 504 L HN -0.118 nan 8.230 nan 0.000 0.433 505 V N 0.022 119.815 119.914 -0.201 0.000 2.469 505 V HA -0.248 3.871 4.120 -0.001 0.000 0.251 505 V C 2.663 178.695 176.094 -0.103 0.000 1.064 505 V CA 1.826 64.020 62.300 -0.177 0.000 1.066 505 V CB -0.767 31.002 31.823 -0.089 0.000 0.667 505 V HN 0.563 nan 8.190 nan 0.000 0.461 506 E N 0.964 121.117 120.200 -0.078 0.000 2.112 506 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 506 E C 2.233 178.801 176.600 -0.053 0.000 0.979 506 E CA 1.325 57.691 56.400 -0.057 0.000 0.814 506 E CB -0.699 28.977 29.700 -0.039 0.000 0.762 506 E HN 0.418 nan 8.360 nan 0.000 0.460 507 G N 0.975 109.747 108.800 -0.047 0.000 2.422 507 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.218 507 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.218 507 G C 1.586 176.436 174.900 -0.082 0.000 1.146 507 G CA 0.948 46.039 45.100 -0.014 0.000 0.769 507 G HN 0.307 nan 8.290 nan 0.000 0.547 508 L N -0.039 121.120 121.223 -0.108 0.000 2.046 508 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 508 L C 2.980 179.775 176.870 -0.124 0.000 1.077 508 L CA 1.388 56.155 54.840 -0.123 0.000 0.747 508 L CB -0.327 41.666 42.059 -0.110 0.000 0.896 508 L HN 0.194 nan 8.230 nan 0.000 0.432 509 K N -0.057 120.283 120.400 -0.100 0.000 2.026 509 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 509 K C 2.263 178.788 176.600 -0.126 0.000 1.048 509 K CA 1.295 57.527 56.287 -0.092 0.000 0.929 509 K CB -0.189 32.265 32.500 -0.077 0.000 0.713 509 K HN 0.246 nan 8.250 nan 0.000 0.439 510 R N 0.703 121.123 120.500 -0.133 0.000 2.091 510 R HA -0.146 4.194 4.340 -0.001 0.000 0.238 510 R C 2.415 178.511 176.300 -0.341 0.000 1.136 510 R CA 1.206 57.224 56.100 -0.136 0.000 0.959 510 R CB -0.473 29.841 30.300 0.023 0.000 0.856 510 R HN 0.127 nan 8.270 nan 0.000 0.437 511 L N 0.688 121.560 121.223 -0.584 0.000 2.017 511 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 511 L C 1.938 178.621 176.870 -0.312 0.000 1.073 511 L CA 1.868 56.261 54.840 -0.744 0.000 0.745 511 L CB -0.526 41.212 42.059 -0.535 0.000 0.894 511 L HN -0.020 nan 8.230 nan 0.000 0.432 512 S N -0.150 115.435 115.700 -0.190 0.000 2.356 512 S HA -0.203 4.266 4.470 -0.001 0.000 0.223 512 S C 1.866 176.426 174.600 -0.068 0.000 1.032 512 S CA 1.691 59.836 58.200 -0.092 0.000 1.005 512 S CB -0.328 62.840 63.200 -0.054 0.000 0.867 512 S HN 0.493 nan 8.310 nan 0.000 0.449 513 K N 1.455 121.807 120.400 -0.079 0.000 2.097 513 K HA -0.065 4.254 4.320 -0.001 0.000 0.206 513 K C 2.454 179.043 176.600 -0.018 0.000 1.049 513 K CA 1.587 57.848 56.287 -0.043 0.000 0.933 513 K CB -0.259 32.207 32.500 -0.056 0.000 0.717 513 K HN 0.490 nan 8.250 nan 0.000 0.442 514 S N -0.039 115.639 115.700 -0.037 0.000 2.496 514 S HA -0.037 4.432 4.470 -0.001 0.000 0.224 514 S C 0.416 174.998 174.600 -0.030 0.000 0.996 514 S CA 0.215 58.416 58.200 0.002 0.000 0.927 514 S CB 0.196 63.428 63.200 0.053 0.000 0.774 514 S HN 0.075 nan 8.310 nan 0.000 0.524 515 D N 1.359 121.734 120.400 -0.042 0.000 2.549 515 D HA 0.407 5.047 4.640 -0.001 0.000 0.251 515 D C -2.426 173.884 176.300 0.017 0.000 1.153 515 D CA -2.153 51.831 54.000 -0.027 0.000 0.861 515 D CB 2.369 43.163 40.800 -0.009 0.000 1.207 515 D HN -0.108 nan 8.370 nan 0.000 0.543 516 P HA 0.023 nan 4.420 nan 0.000 0.217 516 P C 1.164 178.497 177.300 0.056 0.000 1.151 516 P CA 0.558 63.684 63.100 0.044 0.000 0.828 516 P CB 0.406 32.136 31.700 0.050 0.000 0.788 517 C N -1.243 118.094 119.300 0.063 0.000 2.576 517 C HA 0.224 4.684 4.460 -0.001 0.000 0.267 517 C C 1.228 176.352 174.990 0.223 0.000 1.364 517 C CA -0.224 58.847 59.018 0.088 0.000 1.723 517 C CB -1.212 26.491 27.740 -0.062 0.000 1.778 517 C HN 0.043 nan 8.230 nan 0.000 0.572 518 V N 1.781 121.808 119.914 0.188 0.000 2.567 518 V HA 0.648 4.767 4.120 -0.001 0.000 0.289 518 V C -0.653 175.489 176.094 0.080 0.000 1.049 518 V CA -0.335 62.040 62.300 0.125 0.000 0.969 518 V CB 1.615 33.441 31.823 0.006 0.000 0.995 518 V HN 0.290 nan 8.190 nan 0.000 0.471 519 L N 5.918 127.191 121.223 0.084 0.000 2.408 519 L HA 0.902 5.242 4.340 -0.001 0.000 0.268 519 L C -0.367 176.568 176.870 0.108 0.000 0.986 519 L CA 0.246 55.156 54.840 0.116 0.000 0.820 519 L CB 2.397 44.559 42.059 0.171 0.000 1.303 519 L HN 0.871 nan 8.230 nan 0.000 0.411 520 T N 1.517 116.142 114.554 0.120 0.000 2.916 520 T HA 0.802 5.152 4.350 -0.001 0.000 0.298 520 T C -0.984 173.813 174.700 0.161 0.000 1.031 520 T CA -0.495 61.637 62.100 0.053 0.000 0.993 520 T CB 1.384 70.253 68.868 0.001 0.000 1.045 520 T HN 0.830 nan 8.240 nan 0.000 0.454 521 Y N 0.280 120.606 120.300 0.044 0.000 2.677 521 Y HA 0.754 5.304 4.550 -0.001 0.000 0.334 521 Y C -1.197 174.718 175.900 0.025 0.000 1.196 521 Y CA -1.821 56.301 58.100 0.036 0.000 1.059 521 Y CB 1.459 39.932 38.460 0.021 0.000 1.315 521 Y HN 0.832 nan 8.280 nan 0.000 0.455 522 M N 3.595 123.279 119.600 0.141 0.000 2.144 522 M HA 0.503 4.983 4.480 -0.001 0.000 0.356 522 M C -0.067 176.298 176.300 0.109 0.000 1.217 522 M CA -0.122 55.169 55.300 -0.014 0.000 1.087 522 M CB 0.963 33.530 32.600 -0.055 0.000 1.609 522 M HN 0.841 nan 8.290 nan 0.000 0.467 523 S N 2.474 118.173 115.700 -0.001 0.000 2.614 523 S HA 0.194 4.664 4.470 -0.001 0.000 0.265 523 S C 0.851 175.474 174.600 0.038 0.000 1.303 523 S CA -0.327 57.922 58.200 0.081 0.000 1.000 523 S CB 1.060 64.270 63.200 0.017 0.000 0.935 523 S HN 0.852 nan 8.310 nan 0.000 0.551 524 E N 1.180 121.404 120.200 0.040 0.000 2.209 524 E HA -0.099 4.251 4.350 -0.001 0.000 0.196 524 E C 1.337 177.933 176.600 -0.006 0.000 0.993 524 E CA 1.603 58.010 56.400 0.012 0.000 0.819 524 E CB -0.470 29.232 29.700 0.004 0.000 0.745 524 E HN 0.630 nan 8.360 nan 0.000 0.477 525 S N -1.111 114.586 115.700 -0.005 0.000 2.577 525 S HA 0.300 4.769 4.470 -0.001 0.000 0.219 525 S C 0.941 175.524 174.600 -0.029 0.000 0.962 525 S CA 0.355 58.548 58.200 -0.011 0.000 0.921 525 S CB 0.621 63.834 63.200 0.020 0.000 0.789 525 S HN 0.507 nan 8.310 nan 0.000 0.497 526 G N 1.930 110.700 108.800 -0.051 0.000 2.149 526 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.235 526 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.235 526 G C -0.418 174.396 174.900 -0.144 0.000 1.018 526 G CA -0.312 44.732 45.100 -0.093 0.000 0.728 526 G HN 0.518 nan 8.290 nan 0.000 0.508 527 E N 0.162 120.279 120.200 -0.139 0.000 2.195 527 E HA 0.385 4.734 4.350 -0.001 0.000 0.271 527 E C -0.244 176.216 176.600 -0.234 0.000 0.923 527 E CA -0.981 55.328 56.400 -0.151 0.000 0.790 527 E CB 1.066 30.727 29.700 -0.065 0.000 1.155 527 E HN 0.409 nan 8.360 nan 0.000 0.402 528 H N 2.563 121.580 119.070 -0.089 0.000 2.848 528 H HA 0.143 4.698 4.556 -0.001 0.000 0.317 528 H C -0.112 175.095 175.328 -0.202 0.000 1.046 528 H CA 0.213 56.183 56.048 -0.131 0.000 1.470 528 H CB 0.514 30.222 29.762 -0.090 0.000 1.483 528 H HN 0.239 nan 8.280 nan 0.000 0.548 529 I N 4.150 124.558 120.570 -0.270 0.000 2.441 529 I HA 0.178 4.347 4.170 -0.001 0.000 0.295 529 I C 0.241 176.180 176.117 -0.297 0.000 0.994 529 I CA -0.739 60.325 61.300 -0.393 0.000 1.144 529 I CB 1.757 39.236 38.000 -0.869 0.000 1.314 529 I HN 0.186 nan 8.210 nan 0.000 0.445 530 V N 4.898 124.718 119.914 -0.158 0.000 2.487 530 V HA 0.792 4.912 4.120 -0.001 0.000 0.298 530 V C 0.044 176.114 176.094 -0.040 0.000 1.028 530 V CA -0.585 61.663 62.300 -0.086 0.000 0.860 530 V CB 1.745 33.526 31.823 -0.069 0.000 0.991 530 V HN 0.904 nan 8.190 nan 0.000 0.427 531 A N 3.458 126.288 122.820 0.016 0.000 2.386 531 A HA 0.980 5.300 4.320 -0.001 0.000 0.311 531 A C -0.003 177.626 177.584 0.075 0.000 1.068 531 A CA -0.141 51.939 52.037 0.072 0.000 0.743 531 A CB 1.875 20.968 19.000 0.156 0.000 1.258 531 A HN 1.093 nan 8.150 nan 0.000 0.429 532 G N -0.440 108.417 108.800 0.095 0.000 2.569 532 G HA2 0.479 4.439 3.960 -0.001 0.000 0.300 532 G HA3 0.479 4.439 3.960 -0.001 0.000 0.300 532 G C 0.509 175.579 174.900 0.283 0.000 1.269 532 G CA 0.263 45.472 45.100 0.180 0.000 0.959 532 G HN 0.533 nan 8.290 nan 0.000 0.478 533 T N -0.156 114.661 114.554 0.438 0.000 2.720 533 T HA 0.106 4.456 4.350 -0.001 0.000 0.268 533 T C 1.165 175.985 174.700 0.200 0.000 1.037 533 T CA 1.996 64.227 62.100 0.220 0.000 1.144 533 T CB -0.319 68.565 68.868 0.027 0.000 0.864 533 T HN 0.932 nan 8.240 nan 0.000 0.444 534 G N -0.785 108.150 108.800 0.225 0.000 2.708 534 G HA2 0.492 4.452 3.960 -0.001 0.000 0.289 534 G HA3 0.492 4.452 3.960 -0.001 0.000 0.289 534 G C -0.155 174.841 174.900 0.161 0.000 1.416 534 G CA -0.566 44.642 45.100 0.179 0.000 0.829 534 G HN 0.039 nan 8.290 nan 0.000 0.480 535 E N -0.498 119.778 120.200 0.126 0.000 2.097 535 E HA -0.150 4.200 4.350 -0.001 0.000 0.196 535 E C 2.360 179.008 176.600 0.080 0.000 1.000 535 E CA 1.146 57.602 56.400 0.093 0.000 0.804 535 E CB -0.051 29.696 29.700 0.078 0.000 0.740 535 E HN 0.313 nan 8.360 nan 0.000 0.454 536 L N 0.436 121.716 121.223 0.095 0.000 2.027 536 L HA -0.172 4.168 4.340 -0.001 0.000 0.206 536 L C 2.251 179.185 176.870 0.107 0.000 1.074 536 L CA 2.031 56.921 54.840 0.084 0.000 0.745 536 L CB -0.738 41.372 42.059 0.084 0.000 0.898 536 L HN 0.307 nan 8.230 nan 0.000 0.433 537 H N -1.071 118.017 119.070 0.030 0.000 2.319 537 H HA -0.208 4.347 4.556 -0.001 0.000 0.299 537 H C 2.192 177.529 175.328 0.016 0.000 1.092 537 H CA 2.028 58.086 56.048 0.017 0.000 1.302 537 H CB 0.095 29.871 29.762 0.023 0.000 1.373 537 H HN 0.367 nan 8.280 nan 0.000 0.497 538 L N 1.641 122.829 121.223 -0.058 0.000 2.079 538 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 538 L C 2.502 179.316 176.870 -0.092 0.000 1.081 538 L CA 2.176 56.941 54.840 -0.126 0.000 0.752 538 L CB -0.755 41.291 42.059 -0.021 0.000 0.896 538 L HN 0.414 nan 8.230 nan 0.000 0.433 539 E N -0.528 119.650 120.200 -0.036 0.000 2.072 539 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 539 E C 2.131 178.711 176.600 -0.033 0.000 0.985 539 E CA 1.481 57.867 56.400 -0.024 0.000 0.801 539 E CB -0.030 29.670 29.700 -0.000 0.000 0.750 539 E HN 0.491 nan 8.360 nan 0.000 0.452 540 I N 1.402 121.952 120.570 -0.034 0.000 2.127 540 I HA -0.309 3.860 4.170 -0.001 0.000 0.241 540 I C 2.685 178.773 176.117 -0.049 0.000 1.075 540 I CA 0.829 62.112 61.300 -0.029 0.000 1.334 540 I CB -1.725 36.274 38.000 -0.001 0.000 1.040 540 I HN 0.375 nan 8.210 nan 0.000 0.405 541 C N 0.880 120.108 119.300 -0.119 0.000 2.398 541 C HA -0.181 4.279 4.460 -0.001 0.000 0.276 541 C C 3.004 177.971 174.990 -0.039 0.000 1.222 541 C CA 0.695 59.644 59.018 -0.115 0.000 1.746 541 C CB -1.223 26.366 27.740 -0.252 0.000 2.039 541 C HN 0.468 nan 8.230 nan 0.000 0.470 542 L N 0.011 121.206 121.223 -0.048 0.000 2.093 542 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 542 L C 2.784 179.657 176.870 0.006 0.000 1.085 542 L CA 1.482 56.310 54.840 -0.020 0.000 0.755 542 L CB -0.780 41.263 42.059 -0.027 0.000 0.904 542 L HN 0.499 nan 8.230 nan 0.000 0.435 543 Q N -0.096 119.704 119.800 0.000 0.000 2.020 543 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 543 Q C 1.867 177.886 176.000 0.032 0.000 0.982 543 Q CA 1.670 57.478 55.803 0.009 0.000 0.838 543 Q CB -0.140 28.588 28.738 -0.016 0.000 0.899 543 Q HN 0.448 nan 8.270 nan 0.000 0.423 544 D N 0.649 121.065 120.400 0.026 0.000 2.144 544 D HA -0.149 4.491 4.640 -0.001 0.000 0.199 544 D C 1.904 178.262 176.300 0.097 0.000 0.984 544 D CA 0.725 54.736 54.000 0.019 0.000 0.834 544 D CB -0.185 40.644 40.800 0.048 0.000 0.955 544 D HN 0.096 nan 8.370 nan 0.000 0.465 545 L N 1.284 122.624 121.223 0.195 0.000 1.994 545 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 545 L C 2.212 179.136 176.870 0.091 0.000 1.071 545 L CA 1.954 56.910 54.840 0.193 0.000 0.745 545 L CB -0.637 41.465 42.059 0.072 0.000 0.892 545 L HN -0.044 nan 8.230 nan 0.000 0.431 546 E N -1.708 118.524 120.200 0.053 0.000 2.051 546 E HA -0.301 4.049 4.350 -0.001 0.000 0.192 546 E C 2.339 178.954 176.600 0.024 0.000 0.991 546 E CA 1.346 57.763 56.400 0.028 0.000 0.799 546 E CB -0.356 29.359 29.700 0.026 0.000 0.748 546 E HN 0.693 nan 8.360 nan 0.000 0.449 547 H N -0.063 118.983 119.070 -0.040 0.000 2.333 547 H HA -0.070 4.485 4.556 -0.001 0.000 0.302 547 H C 1.089 176.370 175.328 -0.080 0.000 1.075 547 H CA 1.828 57.842 56.048 -0.056 0.000 1.348 547 H CB 0.387 30.113 29.762 -0.061 0.000 1.393 547 H HN 0.260 nan 8.280 nan 0.000 0.509 548 D N -0.682 119.719 120.400 0.002 0.000 2.844 548 D HA -0.031 4.609 4.640 -0.001 0.000 0.271 548 D C 2.213 178.451 176.300 -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 39.961 40.800 -0.236 0.000 1.107 548 D HN 0.360 nan 8.370 nan 0.000 0.395 549 H N 1.276 120.352 119.070 0.010 0.000 2.304 549 H HA -0.177 4.378 4.556 -0.001 0.000 0.287 549 H C 1.754 177.068 175.328 -0.023 0.000 1.112 549 H CA 2.147 58.192 56.048 -0.004 0.000 1.200 549 H CB -0.302 29.451 29.762 -0.015 0.000 1.349 549 H HN 0.225 nan 8.280 nan 0.000 0.477 550 A N -0.667 122.204 122.820 0.086 0.000 2.013 550 A HA 0.376 4.696 4.320 -0.001 0.000 0.204 550 A C 1.875 179.444 177.584 -0.024 0.000 1.262 550 A CA 0.950 52.995 52.037 0.015 0.000 0.800 550 A CB -0.098 18.898 19.000 -0.007 0.000 0.909 550 A HN 0.530 nan 8.150 nan 0.000 0.472 551 G N -0.470 108.303 108.800 -0.046 0.000 2.338 551 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.296 551 G HA3 -0.041 3.919 3.960 -0.001 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 -0.102 0.000 1.004 551 G HN 1.196 nan 8.290 nan 0.000 0.509 552 V N -0.601 119.276 119.914 -0.061 0.000 3.048 552 V HA 0.480 4.600 4.120 -0.001 0.000 0.303 552 V C -2.330 173.742 176.094 -0.036 0.000 1.214 552 V CA -1.711 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 0.187 nan 4.420 nan 0.000 0.261 553 P C -0.952 176.338 177.300 -0.017 0.000 1.183 553 P CA 0.534 63.622 63.100 -0.020 0.000 0.761 553 P CB 0.231 31.921 31.700 -0.017 0.000 0.785 554 L N 3.178 124.393 121.223 -0.013 0.000 2.333 554 L HA 0.555 4.894 4.340 -0.001 0.000 0.269 554 L C 0.510 177.374 176.870 -0.009 0.000 1.010 554 L CA -0.937 53.895 54.840 -0.014 0.000 0.818 554 L CB 2.016 44.066 42.059 -0.016 0.000 1.306 554 L HN 0.225 nan 8.230 nan 0.000 0.430 555 K N 2.548 122.944 120.400 -0.007 0.000 2.323 555 K HA 0.541 4.861 4.320 -0.001 0.000 0.259 555 K C -1.298 175.298 176.600 -0.007 0.000 0.947 555 K CA -0.609 55.675 56.287 -0.005 0.000 0.819 555 K CB 1.285 33.784 32.500 -0.001 0.000 1.109 555 K HN 0.357 nan 8.250 nan 0.000 0.429 556 I N 3.144 123.707 120.570 -0.012 0.000 2.460 556 I HA 0.382 4.551 4.170 -0.001 0.000 0.298 556 I C -0.062 176.042 176.117 -0.021 0.000 0.989 556 I CA -0.310 60.979 61.300 -0.017 0.000 1.173 556 I CB 1.185 39.173 38.000 -0.021 0.000 1.338 556 I HN 0.864 nan 8.210 nan 0.000 0.456 557 S N 5.278 120.963 115.700 -0.025 0.000 2.611 557 S HA 0.680 5.150 4.470 -0.001 0.000 0.268 557 S C -3.208 171.369 174.600 -0.037 0.000 1.156 557 S CA -1.203 56.978 58.200 -0.031 0.000 0.817 557 S CB 1.599 64.787 63.200 -0.020 0.000 1.122 557 S HN 0.281 nan 8.310 nan 0.000 0.466 558 P HA 0.375 nan 4.420 nan 0.000 0.271 558 P C -2.555 174.740 177.300 -0.009 0.000 1.218 558 P CA -0.992 62.079 63.100 -0.049 0.000 0.780 558 P CB -0.165 31.493 31.700 -0.071 0.000 0.901 559 P HA 0.075 nan 4.420 nan 0.000 0.285 559 P C -0.542 176.890 177.300 0.220 0.000 1.259 559 P CA -0.070 63.139 63.100 0.183 0.000 0.794 559 P CB 0.636 32.440 31.700 0.174 0.000 0.940 560 V N 4.048 124.048 119.914 0.144 0.000 2.655 560 V HA 0.004 4.124 4.120 -0.001 0.000 0.300 560 V C 0.770 176.928 176.094 0.106 0.000 1.044 560 V CA 0.043 62.436 62.300 0.155 0.000 1.095 560 V CB 1.082 32.977 31.823 0.120 0.000 0.952 560 V HN 0.276 nan 8.190 nan 0.000 0.485 561 V N 4.928 124.918 119.914 0.127 0.000 2.509 561 V HA 0.610 4.730 4.120 -0.001 0.000 0.284 561 V C 0.583 176.611 176.094 -0.110 0.000 1.047 561 V CA -0.473 61.794 62.300 -0.055 0.000 0.952 561 V CB 1.436 33.209 31.823 -0.083 0.000 0.988 561 V HN 1.008 nan 8.190 nan 0.000 0.469 562 A N 4.679 127.332 122.820 -0.278 0.000 2.327 562 A HA 0.774 5.093 4.320 -0.001 0.000 0.283 562 A C -1.053 176.484 177.584 -0.079 0.000 1.127 562 A CA -0.174 51.802 52.037 -0.102 0.000 0.810 562 A CB 0.318 19.241 19.000 -0.129 0.000 1.066 562 A HN 0.734 nan 8.150 nan 0.000 0.492 563 Y N 0.212 120.685 120.300 0.288 0.000 2.633 563 Y HA 0.740 5.290 4.550 -0.001 0.000 0.339 563 Y C 0.363 176.271 175.900 0.014 0.000 1.045 563 Y CA -0.797 57.514 58.100 0.352 0.000 1.098 563 Y CB 1.632 40.349 38.460 0.429 0.000 1.296 563 Y HN 0.644 nan 8.280 nan 0.000 0.494 564 R N 0.656 121.198 120.500 0.070 0.000 2.740 564 R HA 0.423 4.763 4.340 -0.001 0.000 0.282 564 R C -1.461 174.857 176.300 0.029 0.000 0.969 564 R CA -1.168 54.808 56.100 -0.207 0.000 0.918 564 R CB 1.418 31.338 30.300 -0.634 0.000 1.175 564 R HN 0.657 nan 8.270 nan 0.000 0.464 565 E N 0.659 120.863 120.200 0.008 0.000 2.129 565 E HA 0.353 4.702 4.350 -0.001 0.000 0.268 565 E C -0.631 176.155 176.600 0.310 0.000 0.900 565 E CA -0.337 56.170 56.400 0.179 0.000 0.755 565 E CB 2.102 31.819 29.700 0.029 0.000 1.117 565 E HN 0.398 nan 8.360 nan 0.000 0.410 566 T N 0.960 115.718 114.554 0.340 0.000 2.742 566 T HA 0.601 4.951 4.350 -0.001 0.000 0.282 566 T C -1.242 173.421 174.700 -0.062 0.000 1.025 566 T CA -0.652 61.582 62.100 0.224 0.000 1.020 566 T CB 1.513 70.435 68.868 0.091 0.000 1.317 566 T HN 0.243 nan 8.240 nan 0.000 0.538 567 V N 0.760 120.577 119.914 -0.162 0.000 2.680 567 V HA 0.736 4.855 4.120 -0.001 0.000 0.309 567 V C 0.532 176.541 176.094 -0.141 0.000 1.052 567 V CA -0.612 61.504 62.300 -0.308 0.000 0.908 567 V CB 1.628 33.233 31.823 -0.365 0.000 1.001 567 V HN 0.929 nan 8.190 nan 0.000 0.431 568 E N 2.443 122.563 120.200 -0.133 0.000 2.340 568 E HA 0.214 4.564 4.350 -0.001 0.000 0.194 568 E C 0.764 177.319 176.600 -0.075 0.000 0.996 568 E CA 0.978 57.333 56.400 -0.076 0.000 0.869 568 E CB 0.405 30.070 29.700 -0.058 0.000 0.835 568 E HN 1.119 nan 8.360 nan 0.000 0.493 569 S N -1.787 113.852 115.700 -0.102 0.000 2.752 569 S HA 0.325 4.795 4.470 -0.001 0.000 0.284 569 S C -0.534 174.000 174.600 -0.110 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 0.654 120.792 120.200 -0.102 0.000 2.392 570 E HA 0.370 4.719 4.350 -0.001 0.000 0.259 570 E C -0.587 175.939 176.600 -0.123 0.000 1.108 570 E CA -0.440 55.897 56.400 -0.106 0.000 0.916 570 E CB 0.623 30.264 29.700 -0.098 0.000 0.989 570 E HN 0.586 nan 8.360 nan 0.000 0.432 571 S N 1.610 117.237 115.700 -0.122 0.000 2.546 571 S HA -0.071 4.398 4.470 -0.001 0.000 0.290 571 S C 1.173 175.673 174.600 -0.166 0.000 1.290 571 S CA 0.244 58.353 58.200 -0.152 0.000 1.069 571 S CB 0.767 63.895 63.200 -0.120 0.000 0.846 571 S HN 0.625 nan 8.310 nan 0.000 0.495 572 S N 1.877 117.446 115.700 -0.218 0.000 2.500 572 S HA -0.106 4.364 4.470 -0.001 0.000 0.239 572 S C 0.439 174.921 174.600 -0.197 0.000 0.989 572 S CA 0.477 58.557 58.200 -0.201 0.000 0.951 572 S CB -0.533 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 -1.464 118.204 119.800 -0.221 0.000 2.594 573 Q HA 0.348 4.687 4.340 -0.001 0.000 0.278 573 Q C -1.525 174.417 176.000 -0.097 0.000 0.961 573 Q CA -0.931 54.777 55.803 -0.159 0.000 0.844 573 Q CB 0.215 28.829 28.738 -0.206 0.000 1.475 573 Q HN -0.031 nan 8.270 nan 0.000 0.389 574 T N 1.685 116.243 114.554 0.006 0.000 2.891 574 T HA 0.269 4.618 4.350 -0.001 0.000 0.296 574 T C 0.071 174.886 174.700 0.191 0.000 1.025 574 T CA 0.923 63.081 62.100 0.096 0.000 1.149 574 T CB 0.175 69.143 68.868 0.166 0.000 1.007 574 T HN 0.590 nan 8.240 nan 0.000 0.528 575 A N 3.573 126.492 122.820 0.164 0.000 2.328 575 A HA 0.643 4.963 4.320 -0.001 0.000 0.284 575 A C -0.428 177.216 177.584 0.100 0.000 1.160 575 A CA -0.611 51.569 52.037 0.239 0.000 0.818 575 A CB 0.319 19.410 19.000 0.152 0.000 1.087 575 A HN 0.691 nan 8.150 nan 0.000 0.504 576 L N 2.267 123.438 121.223 -0.087 0.000 2.381 576 L HA 0.769 5.108 4.340 -0.001 0.000 0.274 576 L C -0.539 176.025 176.870 -0.511 0.000 0.988 576 L CA 0.276 54.815 54.840 -0.503 0.000 0.824 576 L CB 2.031 43.684 42.059 -0.677 0.000 1.263 576 L HN 0.566 nan 8.230 nan 0.000 0.410 577 S N 3.684 119.167 115.700 -0.361 0.000 2.546 577 S HA 0.707 5.177 4.470 -0.001 0.000 0.274 577 S C -1.376 173.106 174.600 -0.196 0.000 1.121 577 S CA -0.991 57.079 58.200 -0.217 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 -0.292 120.028 120.400 -0.135 0.000 2.306 578 K HA 0.758 5.078 4.320 -0.001 0.000 0.236 578 K C -0.230 176.345 176.600 -0.043 0.000 1.013 578 K CA -0.711 55.521 56.287 -0.092 0.000 0.857 578 K CB 1.299 33.744 32.500 -0.091 0.000 1.214 578 K HN 0.583 nan 8.250 nan 0.000 0.449 579 S N -0.018 115.675 115.700 -0.012 0.000 2.645 579 S HA 0.202 4.672 4.470 -0.001 0.000 0.266 579 S C -1.941 172.668 174.600 0.014 0.000 1.258 579 S CA -1.159 57.047 58.200 0.011 0.000 0.990 579 S CB 1.053 64.274 63.200 0.036 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 -1.005 117.734 118.700 0.065 0.000 2.205 581 N HA -0.151 4.589 4.740 -0.001 0.000 0.186 581 N C 0.516 176.109 175.510 0.139 0.000 1.015 581 N CA 0.939 54.084 53.050 0.157 0.000 0.862 581 N CB -0.170 38.445 38.487 0.213 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 -0.001 0.000 0.302 582 K C -0.110 176.397 176.600 -0.154 0.000 1.355 582 K CA 0.927 57.166 56.287 -0.079 0.000 0.953 582 K CB -1.487 30.933 32.500 -0.133 0.000 1.321 582 K HN 0.462 nan 8.250 nan 0.000 0.461 583 H N 0.048 119.113 119.070 -0.009 0.000 2.547 583 H HA 0.179 4.734 4.556 -0.001 0.000 0.272 583 H C 0.536 175.898 175.328 0.057 0.000 0.971 583 H CA 0.423 56.486 56.048 0.025 0.000 1.245 583 H CB 0.304 30.060 29.762 -0.009 0.000 1.440 583 H HN 0.168 nan 8.280 nan 0.000 0.540 584 N N 1.301 120.084 118.700 0.138 0.000 2.361 584 N HA 0.381 5.120 4.740 -0.001 0.000 0.302 584 N C -0.619 174.910 175.510 0.032 0.000 1.074 584 N CA -0.430 52.681 53.050 0.102 0.000 0.850 584 N CB 2.471 41.016 38.487 0.097 0.000 1.228 584 N HN 0.147 nan 8.380 nan 0.000 0.491 585 R N 1.186 121.701 120.500 0.024 0.000 2.673 585 R HA 0.581 4.921 4.340 -0.001 0.000 0.281 585 R C -0.732 175.522 176.300 -0.077 0.000 0.991 585 R CA -0.653 55.396 56.100 -0.085 0.000 0.896 585 R CB 2.181 32.385 30.300 -0.160 0.000 1.201 585 R HN 0.475 nan 8.270 nan 0.000 0.457 586 I N 2.593 123.061 120.570 -0.171 0.000 2.474 586 I HA 0.359 4.528 4.170 -0.001 0.000 0.294 586 I C -1.061 174.928 176.117 -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 6.990 127.278 120.300 -0.021 0.000 2.328 587 Y HA 0.610 5.159 4.550 -0.000 0.000 0.337 587 Y C -0.293 175.590 175.900 -0.028 0.000 0.966 587 Y CA -0.874 57.215 58.100 -0.018 0.000 1.136 587 Y CB 1.486 39.935 38.460 -0.017 0.000 1.170 587 Y HN 0.353 nan 8.280 nan 0.000 0.470 588 L N 0.230 121.514 121.223 0.102 0.000 2.491 588 L HA 0.804 5.144 4.340 -0.001 0.000 0.254 588 L C -1.596 175.294 176.870 0.033 0.000 1.048 588 L CA -1.488 53.378 54.840 0.042 0.000 0.855 588 L CB 2.177 44.239 42.059 0.004 0.000 1.466 588 L HN 0.324 nan 8.230 nan 0.000 0.409 589 K N 0.282 120.681 120.400 -0.002 0.000 2.469 589 K HA 0.915 5.235 4.320 -0.001 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 -0.019 0.000 0.812 589 K CB 2.509 34.984 32.500 -0.041 0.000 1.301 589 K HN 0.987 nan 8.250 nan 0.000 0.433 590 A N 1.853 124.660 122.820 -0.022 0.000 2.355 590 A HA 0.646 4.966 4.320 -0.001 0.000 0.324 590 A C -1.103 176.450 177.584 -0.052 0.000 1.117 590 A CA -0.525 51.509 52.037 -0.005 0.000 0.785 590 A CB 0.938 19.963 19.000 0.041 0.000 1.254 590 A HN 0.836 nan 8.150 nan 0.000 0.453 591 E N 0.873 121.047 120.200 -0.044 0.000 2.412 591 E HA 0.600 4.950 4.350 -0.001 0.000 0.279 591 E C -3.160 173.416 176.600 -0.042 0.000 0.984 591 E CA -2.217 54.141 56.400 -0.070 0.000 0.788 591 E CB 1.682 31.322 29.700 -0.101 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 -0.638 176.672 177.300 0.016 0.000 1.205 592 P CA 0.072 63.165 63.100 -0.012 0.000 0.771 592 P CB 0.470 32.157 31.700 -0.022 0.000 0.858 593 I N 1.935 122.545 120.570 0.066 0.000 2.392 593 I HA 0.183 4.353 4.170 -0.001 0.000 0.295 593 I C 0.901 177.086 176.117 0.113 0.000 0.985 593 I CA -0.670 60.705 61.300 0.126 0.000 1.221 593 I CB 0.902 39.002 38.000 0.167 0.000 1.366 593 I HN 0.288 nan 8.210 nan 0.000 0.467 594 D N 5.345 125.831 120.400 0.143 0.000 2.443 594 D HA -0.077 4.562 4.640 -0.001 0.000 0.239 594 D C 1.045 177.419 176.300 0.122 0.000 1.136 594 D CA 0.219 54.297 54.000 0.130 0.000 0.879 594 D CB 1.189 42.093 40.800 0.173 0.000 1.195 594 D HN 0.498 nan 8.370 nan 0.000 0.443 595 E N 2.456 122.717 120.200 0.102 0.000 2.070 595 E HA -0.209 4.140 4.350 -0.001 0.000 0.197 595 E C 1.502 178.168 176.600 0.110 0.000 1.004 595 E CA 0.950 57.407 56.400 0.095 0.000 0.805 595 E CB 0.096 29.844 29.700 0.079 0.000 0.744 595 E HN 0.577 nan 8.360 nan 0.000 0.451 596 E N 0.229 120.514 120.200 0.142 0.000 2.160 596 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 596 E C 2.124 178.814 176.600 0.151 0.000 0.991 596 E CA 0.683 57.199 56.400 0.193 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 0.235 120.198 119.914 0.081 0.000 2.407 597 V HA -0.152 3.967 4.120 -0.001 0.000 0.245 597 V C 2.368 178.431 176.094 -0.052 0.000 1.041 597 V CA 1.384 63.611 62.300 -0.122 0.000 1.040 597 V CB -0.276 31.534 31.823 -0.021 0.000 0.671 597 V HN 0.153 nan 8.190 nan 0.000 0.455 598 S N 0.324 116.049 115.700 0.041 0.000 2.356 598 S HA -0.160 4.309 4.470 -0.001 0.000 0.223 598 S C 1.917 176.555 174.600 0.064 0.000 1.032 598 S CA 1.371 59.609 58.200 0.062 0.000 1.005 598 S CB -0.375 62.873 63.200 0.079 0.000 0.867 598 S HN 0.313 nan 8.310 nan 0.000 0.449 599 L N 1.680 122.946 121.223 0.072 0.000 2.042 599 L HA -0.049 4.291 4.340 -0.001 0.000 0.210 599 L C 2.598 179.501 176.870 0.054 0.000 1.076 599 L CA 1.746 56.633 54.840 0.079 0.000 0.749 599 L CB -1.443 40.670 42.059 0.090 0.000 0.893 599 L HN 0.310 nan 8.230 nan 0.000 0.432 600 A N -0.771 122.058 122.820 0.015 0.000 1.933 600 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 600 A C 2.325 179.895 177.584 -0.023 0.000 1.175 600 A CA 1.838 53.860 52.037 -0.024 0.000 0.628 600 A CB -0.640 18.242 19.000 -0.197 0.000 0.814 600 A HN 0.410 nan 8.150 nan 0.000 0.444 601 I N -0.830 119.736 120.570 -0.007 0.000 2.193 601 I HA -0.218 3.951 4.170 -0.001 0.000 0.240 601 I C 2.478 178.620 176.117 0.041 0.000 1.084 601 I CA 1.509 62.835 61.300 0.043 0.000 1.365 601 I CB -0.438 37.643 38.000 0.136 0.000 1.064 601 I HN 0.366 nan 8.210 nan 0.000 0.410 602 E N 0.798 121.035 120.200 0.062 0.000 2.118 602 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 602 E C 1.298 177.929 176.600 0.051 0.000 0.992 602 E CA 1.052 57.494 56.400 0.070 0.000 0.804 602 E CB -0.047 29.716 29.700 0.104 0.000 0.741 602 E HN 0.453 nan 8.360 nan 0.000 0.458 603 N N -1.001 117.725 118.700 0.044 0.000 2.270 603 N HA 0.047 4.787 4.740 -0.001 0.000 0.198 603 N C 0.669 176.191 175.510 0.020 0.000 1.117 603 N CA 0.818 53.889 53.050 0.036 0.000 0.845 603 N CB 1.658 40.172 38.487 0.045 0.000 0.980 603 N HN 0.260 nan 8.380 nan 0.000 0.486 604 G N 0.805 109.608 108.800 0.006 0.000 2.179 604 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.220 604 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.220 604 G C 0.818 175.715 174.900 -0.005 0.000 0.990 604 G CA -0.082 45.014 45.100 -0.007 0.000 0.646 604 G HN 0.233 nan 8.290 nan 0.000 0.517 605 I N 0.638 121.211 120.570 0.006 0.000 2.400 605 I HA 0.313 4.482 4.170 -0.001 0.000 0.248 605 I C 1.378 177.489 176.117 -0.010 0.000 1.109 605 I CA 0.908 62.220 61.300 0.019 0.000 1.425 605 I CB 0.068 38.109 38.000 0.068 0.000 1.094 605 I HN 0.242 nan 8.210 nan 0.000 0.425 606 I N 2.168 122.712 120.570 -0.043 0.000 2.354 606 I HA 0.237 4.406 4.170 -0.001 0.000 0.286 606 I C -0.724 175.357 176.117 -0.059 0.000 1.007 606 I CA -0.343 60.929 61.300 -0.046 0.000 1.167 606 I CB 0.354 38.301 38.000 -0.089 0.000 1.320 606 I HN 0.140 nan 8.210 nan 0.000 0.458 607 N N 7.597 126.232 118.700 -0.109 0.000 2.314 607 N HA 0.343 5.082 4.740 -0.001 0.000 0.304 607 N C -2.133 173.107 175.510 -0.450 0.000 1.073 607 N CA -1.567 51.330 53.050 -0.255 0.000 0.822 607 N CB 2.078 40.473 38.487 -0.154 0.000 1.280 607 N HN 0.147 nan 8.380 nan 0.000 0.489 608 P HA -0.078 nan 4.420 nan 0.000 0.216 608 P C 0.867 178.004 177.300 -0.271 0.000 1.153 608 P CA 1.366 63.957 63.100 -0.848 0.000 0.858 608 P CB 0.394 31.693 31.700 -0.668 0.000 0.789 609 R N -1.115 119.276 120.500 -0.181 0.000 2.317 609 R HA 0.167 4.506 4.340 -0.001 0.000 0.208 609 R C 0.223 176.506 176.300 -0.027 0.000 0.914 609 R CA 0.071 56.129 56.100 -0.071 0.000 1.060 609 R CB -1.058 29.206 30.300 -0.060 0.000 1.015 609 R HN 0.310 nan 8.270 nan 0.000 0.498 610 D N 1.671 122.048 120.400 -0.037 0.000 2.362 610 D HA -0.073 4.567 4.640 -0.001 0.000 0.238 610 D C -0.070 176.260 176.300 0.050 0.000 1.212 610 D CA 0.140 54.139 54.000 -0.002 0.000 0.902 610 D CB 0.550 41.343 40.800 -0.012 0.000 1.180 610 D HN 0.007 nan 8.370 nan 0.000 0.445 611 D N -0.047 120.377 120.400 0.040 0.000 2.434 611 D HA -0.084 4.556 4.640 -0.001 0.000 0.252 611 D C 1.316 177.645 176.300 0.048 0.000 1.185 611 D CA -0.220 53.820 54.000 0.067 0.000 0.886 611 D CB 0.014 40.812 40.800 -0.003 0.000 1.148 611 D HN 0.348 nan 8.370 nan 0.000 0.483 612 F N 3.707 123.677 119.950 0.033 0.000 2.192 612 F HA -0.162 4.365 4.527 -0.001 0.000 0.301 612 F C 1.910 177.733 175.800 0.037 0.000 1.079 612 F CA 1.114 59.142 58.000 0.047 0.000 1.303 612 F CB -0.284 38.753 39.000 0.061 0.000 1.024 612 F HN 0.357 nan 8.300 nan 0.000 0.494 613 K N 1.110 120.797 120.400 -1.188 0.000 1.991 613 K HA -0.029 4.290 4.320 -0.001 0.000 0.207 613 K C 2.421 178.809 176.600 -0.354 0.000 1.045 613 K CA 1.214 56.958 56.287 -0.904 0.000 0.937 613 K CB -0.614 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 1.654 124.331 122.820 -0.237 0.000 1.933 614 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 614 A C 2.170 179.709 177.584 -0.076 0.000 1.175 614 A CA 1.695 53.661 52.037 -0.118 0.000 0.628 614 A CB -0.621 18.332 19.000 -0.079 0.000 0.814 614 A HN 0.452 nan 8.150 nan 0.000 0.444 615 R N -0.345 120.113 120.500 -0.069 0.000 2.081 615 R HA -0.098 4.242 4.340 -0.001 0.000 0.235 615 R C 2.247 178.523 176.300 -0.040 0.000 1.131 615 R CA 1.493 57.575 56.100 -0.029 0.000 0.960 615 R CB -0.418 29.891 30.300 0.014 0.000 0.856 615 R HN 0.419 nan 8.270 nan 0.000 0.436 616 A N 1.054 123.845 122.820 -0.049 0.000 1.972 616 A HA -0.098 4.221 4.320 -0.001 0.000 0.219 616 A C 2.115 179.700 177.584 0.000 0.000 1.169 616 A CA 0.923 52.948 52.037 -0.021 0.000 0.635 616 A CB -0.404 18.602 19.000 0.010 0.000 0.810 616 A HN 0.235 nan 8.150 nan 0.000 0.446 617 R N -0.438 120.049 120.500 -0.022 0.000 2.096 617 R HA -0.034 4.306 4.340 -0.001 0.000 0.235 617 R C 1.980 178.301 176.300 0.034 0.000 1.127 617 R CA 1.355 57.457 56.100 0.002 0.000 0.968 617 R CB -0.592 29.694 30.300 -0.022 0.000 0.861 617 R HN 0.640 nan 8.270 nan 0.000 0.440 618 I N 0.521 121.114 120.570 0.037 0.000 2.163 618 I HA -0.281 3.888 4.170 -0.001 0.000 0.240 618 I C 2.497 178.720 176.117 0.176 0.000 1.081 618 I CA 1.257 62.614 61.300 0.094 0.000 1.353 618 I CB -0.218 37.838 38.000 0.094 0.000 1.054 618 I HN 0.120 nan 8.210 nan 0.000 0.407 619 M N 0.180 119.831 119.600 0.085 0.000 2.149 619 M HA -0.205 4.275 4.480 -0.001 0.000 0.261 619 M C 2.420 178.851 176.300 0.217 0.000 1.064 619 M CA 1.968 57.293 55.300 0.041 0.000 1.102 619 M CB -0.501 31.885 32.600 -0.357 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 0.180 0.000 1.850 620 A HA -0.111 4.209 4.320 -0.001 0.000 0.212 620 A C 1.712 179.383 177.584 0.146 0.000 1.208 620 A CA 1.475 53.635 52.037 0.204 0.000 0.609 620 A CB -0.527 18.562 19.000 0.147 0.000 0.860 620 A HN 0.342 nan 8.150 nan 0.000 0.448 621 D N 0.250 120.707 120.400 0.096 0.000 2.183 621 D HA -0.075 4.564 4.640 -0.001 0.000 0.203 621 D C 0.907 177.220 176.300 0.021 0.000 0.969 621 D CA 1.220 55.251 54.000 0.052 0.000 0.842 621 D CB -0.211 40.607 40.800 0.030 0.000 0.957 621 D HN 0.450 nan 8.370 nan 0.000 0.484 622 D N -1.187 119.225 120.400 0.020 0.000 2.388 622 D HA 0.007 4.646 4.640 -0.001 0.000 0.208 622 D C 0.766 176.879 176.300 -0.312 0.000 1.035 622 D CA 0.277 54.186 54.000 -0.151 0.000 0.875 622 D CB 0.364 41.045 40.800 -0.198 0.000 0.984 622 D HN 0.286 nan 8.370 nan 0.000 0.508 623 Y N -0.088 120.267 120.300 0.092 0.000 2.557 623 Y HA 0.312 4.862 4.550 -0.001 0.000 0.247 623 Y C 1.563 177.601 175.900 0.229 0.000 1.164 623 Y CA -0.041 58.149 58.100 0.149 0.000 1.218 623 Y CB 1.233 39.777 38.460 0.141 0.000 1.210 623 Y HN -0.025 nan 8.280 nan 0.000 0.529 624 G N -0.705 108.255 108.800 0.266 0.000 2.155 624 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.257 624 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.257 624 G C -0.003 175.044 174.900 0.246 0.000 0.983 624 G CA -0.126 45.096 45.100 0.204 0.000 0.676 624 G HN 0.277 nan 8.290 nan 0.000 0.528 625 W N 0.544 121.893 121.300 0.083 0.000 2.161 625 W HA 0.521 5.180 4.660 -0.001 0.000 0.344 625 W C 0.679 177.220 176.519 0.036 0.000 1.262 625 W CA 0.060 57.437 57.345 0.053 0.000 1.270 625 W CB 0.453 29.947 29.460 0.056 0.000 1.126 625 W HN 0.229 nan 8.180 nan 0.000 0.598 626 D N 0.852 121.377 120.400 0.209 0.000 2.317 626 D HA 0.045 4.685 4.640 -0.001 0.000 0.252 626 D C 0.859 177.284 176.300 0.207 0.000 1.174 626 D CA -0.085 53.996 54.000 0.134 0.000 0.866 626 D CB 1.465 42.291 40.800 0.044 0.000 1.127 626 D HN 0.188 nan 8.370 nan 0.000 0.467 627 V N 3.605 123.613 119.914 0.155 0.000 2.568 627 V HA -0.231 3.889 4.120 -0.001 0.000 0.253 627 V C 1.773 177.953 176.094 0.143 0.000 1.072 627 V CA 2.366 64.751 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 -0.534 114.093 114.554 0.122 0.000 2.812 628 T HA -0.128 4.221 4.350 -0.001 0.000 0.264 628 T C 1.588 176.371 174.700 0.138 0.000 1.042 628 T CA 1.457 63.626 62.100 0.115 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 1.441 121.933 120.400 0.152 0.000 2.104 629 D HA -0.044 4.596 4.640 -0.001 0.000 0.194 629 D C 2.345 178.827 176.300 0.303 0.000 0.994 629 D CA 1.345 55.459 54.000 0.192 0.000 0.830 629 D CB -0.466 40.440 40.800 0.176 0.000 0.959 629 D HN 0.382 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 -0.182 4.138 4.320 -0.001 0.000 0.216 630 A C 2.141 179.825 177.584 0.166 0.000 1.186 630 A CA 1.352 53.501 52.037 0.186 0.000 0.620 630 A CB -0.506 18.555 19.000 0.101 0.000 0.822 630 A HN 0.147 nan 8.150 nan 0.000 0.443 631 R N -0.307 120.324 120.500 0.219 0.000 2.193 631 R HA -0.057 4.282 4.340 -0.001 0.000 0.229 631 R C 0.927 177.421 176.300 0.323 0.000 1.110 631 R CA 1.312 57.634 56.100 0.370 0.000 0.988 631 R CB -0.175 30.351 30.300 0.376 0.000 0.871 631 R HN 0.407 nan 8.270 nan 0.000 0.458 632 K N 1.155 121.679 120.400 0.207 0.000 2.493 632 K HA 0.093 4.413 4.320 -0.001 0.000 0.207 632 K C -0.042 176.646 176.600 0.145 0.000 1.033 632 K CA -0.332 56.051 56.287 0.161 0.000 1.161 632 K CB 0.204 32.752 32.500 0.080 0.000 0.873 632 K HN 0.103 nan 8.250 nan 0.000 0.491 633 I N -1.873 118.784 120.570 0.145 0.000 2.618 633 I HA -0.004 4.166 4.170 -0.001 0.000 0.284 633 I C 0.531 176.794 176.117 0.243 0.000 1.146 633 I CA 0.022 61.368 61.300 0.078 0.000 1.425 633 I CB 0.471 38.423 38.000 -0.081 0.000 1.383 633 I HN 0.064 nan 8.210 nan 0.000 0.562 634 W N 6.195 127.452 121.300 -0.071 0.000 2.640 634 W HA 0.268 4.928 4.660 -0.001 0.000 0.268 634 W C 0.595 177.120 176.519 0.009 0.000 1.263 634 W CA 0.411 57.730 57.345 -0.044 0.000 1.344 634 W CB -0.248 29.166 29.460 -0.077 0.000 1.093 634 W HN 0.952 nan 8.180 nan 0.000 0.603 635 C N -3.715 115.716 119.300 0.218 0.000 3.231 635 C HA 0.591 5.051 4.460 -0.001 0.000 0.343 635 C C -0.752 174.402 174.990 0.273 0.000 1.349 635 C CA -1.941 57.250 59.018 0.288 0.000 1.209 635 C CB 0.383 28.286 27.740 0.272 0.000 1.475 635 C HN -0.078 nan 8.230 nan 0.000 0.460 636 F N 0.686 120.754 119.950 0.197 0.000 2.523 636 F HA 0.834 5.361 4.527 -0.001 0.000 0.329 636 F C 0.968 176.926 175.800 0.264 0.000 1.061 636 F CA 0.440 58.574 58.000 0.222 0.000 0.967 636 F CB 2.589 41.658 39.000 0.115 0.000 1.218 636 F HN 1.174 nan 8.300 nan 0.000 0.480 637 G N 1.286 110.322 108.800 0.393 0.000 2.698 637 G HA2 0.603 4.563 3.960 -0.001 0.000 0.293 637 G HA3 0.603 4.563 3.960 -0.001 0.000 0.293 637 G C -3.362 171.548 174.900 0.017 0.000 1.437 637 G CA -1.431 43.753 45.100 0.139 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 -0.596 176.726 177.300 0.036 0.000 1.304 638 P CA -0.017 63.069 63.100 -0.022 0.000 0.767 638 P CB 0.907 32.577 31.700 -0.049 0.000 1.247 639 D N -2.031 118.387 120.400 0.030 0.000 2.955 639 D HA -0.215 4.425 4.640 -0.001 0.000 0.226 639 D C 1.102 177.433 176.300 0.051 0.000 1.178 639 D CA 1.659 55.678 54.000 0.031 0.000 0.808 639 D CB -1.958 38.853 40.800 0.019 0.000 1.099 639 D HN 0.853 nan 8.370 nan 0.000 0.421 640 G N 1.045 109.902 108.800 0.095 0.000 2.189 640 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.267 640 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.267 640 G C 0.611 175.575 174.900 0.106 0.000 0.975 640 G CA 1.195 46.367 45.100 0.120 0.000 0.644 640 G HN 0.717 nan 8.290 nan 0.000 0.537 641 N N -0.336 118.416 118.700 0.086 0.000 2.116 641 N HA 0.381 5.121 4.740 -0.001 0.000 0.230 641 N C 0.934 176.513 175.510 0.115 0.000 1.326 641 N CA 0.849 53.907 53.050 0.014 0.000 0.867 641 N CB -0.213 38.237 38.487 -0.061 0.000 1.174 641 N HN 0.730 nan 8.380 nan 0.000 0.506 642 G N 1.021 109.922 108.800 0.169 0.000 2.634 642 G HA2 0.313 4.273 3.960 -0.001 0.000 0.255 642 G HA3 0.313 4.273 3.960 -0.001 0.000 0.255 642 G C -2.089 172.946 174.900 0.225 0.000 1.205 642 G CA -1.142 44.047 45.100 0.147 0.000 0.884 642 G HN 0.088 nan 8.290 nan 0.000 0.549 643 P HA 0.140 nan 4.420 nan 0.000 0.220 643 P C -0.875 176.496 177.300 0.118 0.000 1.778 643 P CA -0.010 63.175 63.100 0.141 0.000 0.912 643 P CB -0.198 31.556 31.700 0.091 0.000 1.861 644 N N 0.973 119.768 118.700 0.157 0.000 2.331 644 N HA 0.478 5.217 4.740 -0.001 0.000 0.280 644 N C -0.834 174.861 175.510 0.309 0.000 1.155 644 N CA -0.464 52.712 53.050 0.209 0.000 0.822 644 N CB 2.291 40.844 38.487 0.110 0.000 1.619 644 N HN 0.036 nan 8.380 nan 0.000 0.476 645 L N 0.493 121.894 121.223 0.295 0.000 2.393 645 L HA 0.639 4.978 4.340 -0.001 0.000 0.260 645 L C -0.747 175.982 176.870 -0.235 0.000 1.002 645 L CA -1.053 53.795 54.840 0.013 0.000 0.818 645 L CB 2.542 44.494 42.059 -0.177 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 -0.499 0.000 2.409 646 V HA 0.480 4.600 4.120 -0.001 0.000 0.291 646 V C -0.587 175.333 176.094 -0.289 0.000 1.020 646 V CA -0.351 61.601 62.300 -0.579 0.000 0.848 646 V CB 1.775 33.164 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 -0.257 0.000 2.474 647 I HA 0.411 4.581 4.170 -0.001 0.000 0.294 647 I C -0.203 175.676 176.117 -0.396 0.000 1.005 647 I CA -0.549 60.625 61.300 -0.210 0.000 1.113 647 I CB 1.837 39.815 38.000 -0.037 0.000 1.289 647 I HN 0.620 nan 8.210 nan 0.000 0.436 648 D N 5.149 125.227 120.400 -0.538 0.000 2.313 648 D HA 0.249 4.889 4.640 -0.001 0.000 0.239 648 D C -0.321 175.794 176.300 -0.308 0.000 1.142 648 D CA 0.057 53.663 54.000 -0.656 0.000 0.847 648 D CB 0.803 41.017 40.800 -0.977 0.000 1.082 648 D HN 0.488 nan 8.370 nan 0.000 0.480 649 Q N 2.404 122.054 119.800 -0.251 0.000 2.141 649 Q HA 0.152 4.492 4.340 -0.001 0.000 0.248 649 Q C -0.090 175.838 176.000 -0.119 0.000 0.834 649 Q CA -0.366 55.349 55.803 -0.146 0.000 1.096 649 Q CB 0.810 29.474 28.738 -0.123 0.000 1.189 649 Q HN 0.627 nan 8.270 nan 0.000 0.471 650 T N -2.949 111.528 114.554 -0.129 0.000 2.913 650 T HA 0.352 4.702 4.350 -0.001 0.000 0.287 650 T C 0.768 175.439 174.700 -0.048 0.000 1.008 650 T CA -0.534 61.518 62.100 -0.080 0.000 1.067 650 T CB 2.070 70.899 68.868 -0.066 0.000 0.996 650 T HN 0.028 nan 8.240 nan 0.000 0.513 651 K N 0.970 121.347 120.400 -0.038 0.000 2.273 651 K HA 0.432 4.752 4.320 -0.001 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 1.627 124.435 122.820 -0.021 0.000 3.129 652 A HA 0.323 4.643 4.320 -0.001 0.000 0.282 652 A C -0.730 176.842 177.584 -0.021 0.000 0.948 652 A CA -0.448 51.576 52.037 -0.022 0.000 1.027 652 A CB 0.406 19.388 19.000 -0.030 0.000 1.123 652 A HN -0.022 nan 8.150 nan 0.000 0.485 653 V N 1.583 121.497 119.914 0.001 0.000 2.385 653 V HA 0.060 4.179 4.120 -0.001 0.000 0.269 653 V C 1.307 177.393 176.094 -0.013 0.000 1.043 653 V CA 0.027 62.336 62.300 0.015 0.000 0.906 653 V CB 0.834 32.696 31.823 0.064 0.000 0.995 653 V HN 0.870 nan 8.190 nan 0.000 0.467 654 Q N 3.274 123.002 119.800 -0.120 0.000 2.002 654 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 654 Q C 0.233 176.059 176.000 -0.290 0.000 0.988 654 Q CA 1.981 57.587 55.803 -0.327 0.000 0.843 654 Q CB -0.033 28.287 28.738 -0.696 0.000 0.908 654 Q HN 0.867 nan 8.270 nan 0.000 0.420 655 Y N 0.054 120.422 120.300 0.113 0.000 2.867 655 Y HA 0.092 4.642 4.550 -0.001 0.000 0.351 655 Y C 0.911 176.822 175.900 0.018 0.000 1.046 655 Y CA -0.427 57.705 58.100 0.054 0.000 1.520 655 Y CB -0.065 38.383 38.460 -0.020 0.000 1.337 655 Y HN 0.123 nan 8.280 nan 0.000 0.525 656 L N 0.929 122.299 121.223 0.246 0.000 1.976 656 L HA -0.226 4.113 4.340 -0.001 0.000 0.209 656 L C 2.918 179.907 176.870 0.197 0.000 1.071 656 L CA 2.027 57.025 54.840 0.263 0.000 0.746 656 L CB -0.740 41.502 42.059 0.304 0.000 0.890 656 L HN 0.569 nan 8.230 nan 0.000 0.432 657 H N -0.639 118.486 119.070 0.092 0.000 2.431 657 H HA -0.198 4.358 4.556 -0.001 0.000 0.297 657 H C 1.568 176.883 175.328 -0.022 0.000 1.115 657 H CA 1.926 57.970 56.048 -0.008 0.000 1.277 657 H CB -0.821 28.938 29.762 -0.005 0.000 1.372 657 H HN 0.588 nan 8.280 nan 0.000 0.516 658 E N 0.850 120.737 120.200 -0.521 0.000 2.358 658 E HA 0.037 4.387 4.350 -0.001 0.000 0.195 658 E C 2.164 178.683 176.600 -0.135 0.000 1.010 658 E CA 0.900 57.099 56.400 -0.334 0.000 0.856 658 E CB 0.113 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 4.316 4.170 -0.001 0.000 0.328 659 I C 2.043 178.165 176.117 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 38.232 38.000 0.094 0.000 1.024 659 I HN -0.165 nan 8.210 nan 0.000 0.413 660 K N 1.927 122.247 120.400 -0.135 0.000 2.034 660 K HA -0.250 4.070 4.320 -0.001 0.000 0.214 660 K C 1.506 177.981 176.600 -0.209 0.000 1.051 660 K CA 2.583 58.620 56.287 -0.418 0.000 0.931 660 K CB -0.120 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 -0.072 120.241 120.400 -0.145 0.000 2.123 661 D HA -0.112 4.527 4.640 -0.001 0.000 0.196 661 D C 2.017 178.320 176.300 0.004 0.000 0.992 661 D CA 1.162 55.121 54.000 -0.068 0.000 0.833 661 D CB -0.219 40.546 40.800 -0.058 0.000 0.954 661 D HN 0.162 nan 8.370 nan 0.000 0.455 662 S N -0.126 115.587 115.700 0.022 0.000 2.368 662 S HA -0.089 4.380 4.470 -0.001 0.000 0.224 662 S C 2.339 177.007 174.600 0.113 0.000 1.029 662 S CA 0.508 58.747 58.200 0.066 0.000 0.988 662 S CB -0.132 63.104 63.200 0.060 0.000 0.838 662 S HN 0.088 nan 8.310 nan 0.000 0.462 663 V N 1.487 121.486 119.914 0.142 0.000 2.295 663 V HA -0.138 3.982 4.120 -0.001 0.000 0.246 663 V C 2.326 178.551 176.094 0.218 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 0.191 0.000 2.287 664 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 664 V C 2.754 178.982 176.094 0.222 0.000 1.053 664 V CA 2.192 64.613 62.300 0.202 0.000 1.027 664 V CB -1.201 30.686 31.823 0.107 0.000 0.646 664 V HN 0.565 nan 8.190 nan 0.000 0.447 665 A N -0.092 122.823 122.820 0.158 0.000 1.908 665 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 665 A C 2.401 180.122 177.584 0.228 0.000 1.181 665 A CA 2.270 54.398 52.037 0.153 0.000 0.627 665 A CB -0.810 18.252 19.000 0.104 0.000 0.818 665 A HN 0.608 nan 8.150 nan 0.000 0.445 666 A N -1.653 121.309 122.820 0.237 0.000 1.969 666 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 666 A C 1.995 179.717 177.584 0.230 0.000 1.169 666 A CA 1.523 53.704 52.037 0.239 0.000 0.635 666 A CB -0.622 18.461 19.000 0.138 0.000 0.810 666 A HN 0.578 nan 8.150 nan 0.000 0.445 667 F N 0.646 120.643 119.950 0.078 0.000 2.146 667 F HA -0.141 4.386 4.527 -0.001 0.000 0.298 667 F C 2.448 178.300 175.800 0.087 0.000 1.096 667 F CA 1.807 59.840 58.000 0.054 0.000 1.275 667 F CB -0.183 38.864 39.000 0.079 0.000 1.008 667 F HN 0.198 nan 8.300 nan 0.000 0.480 668 Q N -0.804 119.113 119.800 0.194 0.000 2.135 668 Q HA -0.254 4.086 4.340 -0.001 0.000 0.204 668 Q C 2.091 178.153 176.000 0.104 0.000 0.981 668 Q CA 1.530 57.385 55.803 0.087 0.000 0.856 668 Q CB -1.214 27.591 28.738 0.111 0.000 0.902 668 Q HN 0.604 nan 8.270 nan 0.000 0.425 669 W N 0.997 122.261 121.300 -0.060 0.000 2.407 669 W HA 0.055 4.714 4.660 -0.001 0.000 0.305 669 W C 2.213 178.669 176.519 -0.106 0.000 1.196 669 W CA 1.464 58.770 57.345 -0.065 0.000 1.311 669 W CB -0.718 28.717 29.460 -0.041 0.000 1.135 669 W HN 0.112 nan 8.180 nan 0.000 0.514 670 A N 0.074 122.862 122.820 -0.054 0.000 1.902 670 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 670 A C 2.014 179.491 177.584 -0.178 0.000 1.181 670 A CA 3.144 55.026 52.037 -0.257 0.000 0.623 670 A CB -1.455 17.289 19.000 -0.427 0.000 0.818 670 A HN 0.349 nan 8.150 nan 0.000 0.443 671 T N -2.688 111.660 114.554 -0.344 0.000 3.023 671 T HA -0.034 4.316 4.350 -0.001 0.000 0.266 671 T C 1.715 176.303 174.700 -0.188 0.000 1.093 671 T CA 1.566 63.449 62.100 -0.362 0.000 1.129 671 T CB -0.057 68.454 68.868 -0.595 0.000 0.899 671 T HN 0.341 nan 8.240 nan 0.000 0.491 672 K N 2.084 122.429 120.400 -0.092 0.000 2.116 672 K HA 0.101 4.420 4.320 -0.001 0.000 0.203 672 K C 1.125 177.706 176.600 -0.033 0.000 1.052 672 K CA 0.856 57.121 56.287 -0.036 0.000 0.952 672 K CB 0.080 32.597 32.500 0.027 0.000 0.729 672 K HN 0.569 nan 8.250 nan 0.000 0.446 673 E N 0.359 120.568 120.200 0.015 0.000 2.489 673 E HA 0.264 4.614 4.350 -0.001 0.000 0.232 673 E C -0.598 175.951 176.600 -0.085 0.000 0.990 673 E CA -0.631 55.758 56.400 -0.018 0.000 0.768 673 E CB 0.421 30.179 29.700 0.096 0.000 1.270 673 E HN 0.362 nan 8.360 nan 0.000 0.423 674 G N 3.549 112.218 108.800 -0.219 0.000 2.630 674 G HA2 0.041 4.000 3.960 -0.001 0.000 0.236 674 G HA3 0.041 4.000 3.960 -0.001 0.000 0.236 674 G C -1.361 173.240 174.900 -0.499 0.000 1.248 674 G CA -0.825 44.044 45.100 -0.384 0.000 0.844 674 G HN 0.468 nan 8.290 nan 0.000 0.588 675 P HA 0.016 nan 4.420 nan 0.000 0.236 675 P C 1.752 178.914 177.300 -0.231 0.000 1.177 675 P CA 0.386 63.069 63.100 -0.695 0.000 0.773 675 P CB 0.360 31.509 31.700 -0.918 0.000 0.878 676 I N -0.187 120.335 120.570 -0.080 0.000 2.163 676 I HA -0.141 4.029 4.170 -0.001 0.000 0.240 676 I C 1.687 177.992 176.117 0.313 0.000 1.081 676 I CA 1.844 63.253 61.300 0.181 0.000 1.353 676 I CB -0.309 37.899 38.000 0.347 0.000 1.054 676 I HN -0.042 nan 8.210 nan 0.000 0.407 677 F N -2.037 117.872 119.950 -0.068 0.000 2.939 677 F HA 0.519 5.045 4.527 -0.001 0.000 0.327 677 F C 0.650 176.427 175.800 -0.039 0.000 1.276 677 F CA -0.099 57.883 58.000 -0.029 0.000 0.973 677 F CB -0.201 38.811 39.000 0.021 0.000 1.460 677 F HN 0.016 nan 8.300 nan 0.000 0.499 678 G N 0.252 108.908 108.800 -0.240 0.000 2.157 678 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.248 678 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.248 678 G C -0.019 174.657 174.900 -0.373 0.000 0.979 678 G CA 0.143 45.073 45.100 -0.282 0.000 0.650 678 G HN 0.413 nan 8.290 nan 0.000 0.529 679 E N 0.772 120.628 120.200 -0.574 0.000 2.345 679 E HA 0.375 4.724 4.350 -0.001 0.000 0.259 679 E C 0.705 177.140 176.600 -0.274 0.000 1.117 679 E CA -0.429 55.705 56.400 -0.444 0.000 0.913 679 E CB 0.619 29.989 29.700 -0.550 0.000 1.057 679 E HN 0.592 nan 8.360 nan 0.000 0.432 680 E N 0.850 120.930 120.200 -0.200 0.000 2.404 680 E HA 0.077 4.427 4.350 -0.001 0.000 0.261 680 E C 0.122 176.612 176.600 -0.184 0.000 1.074 680 E CA 0.078 56.375 56.400 -0.171 0.000 0.917 680 E CB 0.650 30.269 29.700 -0.136 0.000 0.965 680 E HN 0.235 nan 8.360 nan 0.000 0.433 681 M N 1.700 121.197 119.600 -0.171 0.000 2.227 681 M HA 0.335 4.814 4.480 -0.001 0.000 0.316 681 M C 0.155 176.388 176.300 -0.112 0.000 1.144 681 M CA 0.181 55.410 55.300 -0.118 0.000 1.121 681 M CB 0.948 33.480 32.600 -0.115 0.000 1.440 681 M HN 0.381 nan 8.290 nan 0.000 0.473 682 R N -0.632 119.835 120.500 -0.056 0.000 2.561 682 R HA 0.260 4.600 4.340 -0.001 0.000 0.266 682 R C -0.871 175.434 176.300 0.008 0.000 1.091 682 R CA -0.126 55.926 56.100 -0.079 0.000 0.927 682 R CB 1.373 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 0.479 116.202 115.700 0.037 0.000 3.635 683 S HA -0.125 4.344 4.470 -0.001 0.000 0.328 683 S C -0.502 174.156 174.600 0.095 0.000 1.135 683 S CA 0.949 59.191 58.200 0.070 0.000 0.942 683 S CB -1.191 62.041 63.200 0.053 0.000 0.930 683 S HN 0.371 nan 8.310 nan 0.000 0.512 684 V N 1.566 121.558 119.914 0.130 0.000 2.370 684 V HA 0.544 4.664 4.120 -0.001 0.000 0.283 684 V C 0.426 176.644 176.094 0.207 0.000 1.023 684 V CA -0.586 61.818 62.300 0.173 0.000 0.857 684 V CB 1.685 33.658 31.823 0.252 0.000 0.985 684 V HN 0.434 nan 8.190 nan 0.000 0.443 685 R N 3.789 124.378 120.500 0.148 0.000 2.514 685 R HA 0.778 5.118 4.340 -0.001 0.000 0.301 685 R C -1.785 174.562 176.300 0.078 0.000 0.962 685 R CA -0.417 55.756 56.100 0.122 0.000 0.882 685 R CB 1.936 32.273 30.300 0.063 0.000 1.143 685 R HN 0.510 nan 8.270 nan 0.000 0.452 686 V N 4.800 124.732 119.914 0.031 0.000 2.444 686 V HA 0.341 4.461 4.120 -0.001 0.000 0.294 686 V C -0.825 175.197 176.094 -0.119 0.000 1.022 686 V CA -0.995 61.291 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 5.072 123.709 118.700 -0.105 0.000 2.424 687 N HA 0.502 5.242 4.740 -0.001 0.000 0.271 687 N C -0.575 174.854 175.510 -0.135 0.000 0.985 687 N CA -0.337 52.630 53.050 -0.138 0.000 0.921 687 N CB 2.385 40.800 38.487 -0.121 0.000 1.149 687 N HN 0.552 nan 8.380 nan 0.000 0.492 688 I N 3.311 123.760 120.570 -0.201 0.000 2.363 688 I HA 0.054 4.223 4.170 -0.001 0.000 0.292 688 I C 1.570 177.609 176.117 -0.130 0.000 1.075 688 I CA -0.169 61.027 61.300 -0.174 0.000 1.333 688 I CB 0.749 38.572 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 0.168 4.508 4.340 -0.001 0.000 0.205 689 L C 0.299 177.141 176.870 -0.046 0.000 1.086 689 L CA 0.822 55.634 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 -1.958 118.456 120.400 0.024 0.000 2.685 690 D HA 0.412 5.052 4.640 -0.001 0.000 0.236 690 D C -1.530 174.879 176.300 0.182 0.000 1.233 690 D CA -0.217 53.797 54.000 0.025 0.000 0.760 690 D CB 2.212 42.923 40.800 -0.148 0.000 1.410 690 D HN -0.292 nan 8.370 nan 0.000 0.439 691 V N 1.451 121.447 119.914 0.137 0.000 2.686 691 V HA 0.677 4.797 4.120 -0.001 0.000 0.306 691 V C -0.350 175.841 176.094 0.162 0.000 1.065 691 V CA -0.756 61.646 62.300 0.170 0.000 0.894 691 V CB 1.869 33.766 31.823 0.122 0.000 1.004 691 V HN 0.749 nan 8.190 nan 0.000 0.424 692 T N 3.400 118.068 114.554 0.190 0.000 2.791 692 T HA 0.826 5.176 4.350 -0.001 0.000 0.288 692 T C -0.737 174.058 174.700 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 2.039 123.363 121.223 0.168 0.000 2.313 693 L HA 0.583 4.922 4.340 -0.001 0.000 0.268 693 L C 0.260 177.251 176.870 0.202 0.000 1.010 693 L CA -1.553 53.400 54.840 0.187 0.000 0.814 693 L CB 1.395 43.579 42.059 0.208 0.000 1.304 693 L HN 0.715 nan 8.230 nan 0.000 0.441 694 H N 0.068 119.199 119.070 0.101 0.000 2.629 694 H HA 0.257 4.812 4.556 -0.000 0.000 0.357 694 H C 0.685 176.034 175.328 0.034 0.000 1.121 694 H CA 0.444 56.535 56.048 0.071 0.000 1.406 694 H CB 1.758 31.520 29.762 0.000 0.000 1.456 694 H HN 0.673 nan 8.280 nan 0.000 0.579 695 A N 3.591 126.043 122.820 -0.613 0.000 1.933 695 A HA -0.094 4.225 4.320 -0.001 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 -0.329 0.000 0.628 695 A CB -0.246 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 -0.001 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 -0.001 0.000 0.220 697 A C 1.305 178.845 177.584 -0.072 0.000 1.164 697 A CA 0.485 52.439 52.037 -0.137 0.000 0.643 697 A CB -0.453 18.456 19.000 -0.151 0.000 0.806 697 A HN 0.710 nan 8.150 nan 0.000 0.451 701 G N -0.512 108.279 108.800 -0.016 0.000 2.554 701 G HA2 0.245 4.204 3.960 -0.001 0.000 0.238 701 G HA3 0.245 4.204 3.960 -0.001 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 -0.012 0.000 0.843 701 G HN 0.201 nan 8.290 nan 0.000 0.582 702 G N 1.126 109.934 108.800 0.012 0.000 2.556 702 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.220 702 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.220 702 G C 1.844 176.773 174.900 0.050 0.000 1.156 702 G CA 1.476 46.596 45.100 0.034 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 -0.054 3.906 3.960 -0.001 0.000 0.219 703 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.219 703 G C 1.779 176.707 174.900 0.047 0.000 1.117 703 G CA 1.185 46.313 45.100 0.047 0.000 0.759 703 G HN 0.439 nan 8.290 nan 0.000 0.556 704 Q N -0.652 119.171 119.800 0.037 0.000 2.481 704 Q HA 0.268 4.608 4.340 -0.001 0.000 0.219 704 Q C 2.661 178.687 176.000 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 0.024 0.000 1.057 704 Q HN 0.538 nan 8.270 nan 0.000 0.581 705 I N 0.599 121.198 120.570 0.047 0.000 2.584 705 I HA -0.112 4.057 4.170 -0.001 0.000 0.255 705 I C 2.119 178.273 176.117 0.063 0.000 1.145 705 I CA 0.514 61.846 61.300 0.054 0.000 1.462 705 I CB -0.050 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 3.982 4.170 -0.001 0.000 0.245 706 I C -0.412 175.748 176.117 0.072 0.000 1.100 706 I CA 1.678 63.048 61.300 0.117 0.000 1.374 706 I CB -1.462 36.649 38.000 0.184 0.000 1.057 706 I HN 0.155 nan 8.210 nan 0.000 0.413 707 P HA -0.087 nan 4.420 nan 0.000 0.217 707 P C 1.602 178.876 177.300 -0.044 0.000 1.151 707 P CA 1.412 64.500 63.100 -0.020 0.000 0.828 707 P CB -0.063 31.648 31.700 0.019 0.000 0.788 708 T N -0.381 114.167 114.554 -0.010 0.000 2.674 708 T HA -0.204 4.146 4.350 -0.001 0.000 0.265 708 T C 1.752 176.432 174.700 -0.034 0.000 1.039 708 T CA 1.665 63.755 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 1.407 120.998 119.600 -0.016 0.000 2.117 709 M HA 0.007 4.487 4.480 -0.001 0.000 0.262 709 M C 2.172 178.415 176.300 -0.096 0.000 1.065 709 M CA 1.527 56.818 55.300 -0.015 0.000 1.114 709 M CB -0.449 32.178 32.600 0.047 0.000 1.361 709 M HN 0.087 nan 8.290 nan 0.000 0.408 710 R N -0.743 119.644 120.500 -0.189 0.000 2.092 710 R HA -0.114 4.225 4.340 -0.001 0.000 0.231 710 R C 2.490 178.464 176.300 -0.543 0.000 1.119 710 R CA 1.578 57.389 56.100 -0.480 0.000 0.970 710 R CB -0.301 29.627 30.300 -0.620 0.000 0.864 710 R HN 0.441 nan 8.270 nan 0.000 0.440 711 R N -0.131 120.240 120.500 -0.216 0.000 2.075 711 R HA -0.040 4.300 4.340 -0.001 0.000 0.232 711 R C 2.101 178.422 176.300 0.035 0.000 1.126 711 R CA 1.384 57.494 56.100 0.018 0.000 0.963 711 R CB -0.227 30.124 30.300 0.085 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 -0.020 0.000 1.898 712 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 712 A C 2.137 179.733 177.584 0.021 0.000 1.181 712 A CA 1.909 53.953 52.037 0.011 0.000 0.620 712 A CB -0.806 18.180 19.000 -0.024 0.000 0.819 712 A HN 0.399 nan 8.150 nan 0.000 0.442 713 T N -0.946 113.578 114.554 -0.049 0.000 2.708 713 T HA -0.149 4.201 4.350 -0.001 0.000 0.266 713 T C 1.765 176.501 174.700 0.061 0.000 1.037 713 T CA 1.730 63.831 62.100 0.001 0.000 1.146 713 T CB -0.460 68.386 68.868 -0.037 0.000 0.865 713 T HN 0.499 nan 8.240 nan 0.000 0.435 714 Y N 1.553 121.766 120.300 -0.146 0.000 2.165 714 Y HA -0.033 4.517 4.550 -0.001 0.000 0.286 714 Y C 2.711 178.499 175.900 -0.186 0.000 1.155 714 Y CA 0.149 58.043 58.100 -0.342 0.000 1.164 714 Y CB -1.315 36.641 38.460 -0.841 0.000 0.978 714 Y HN 0.220 nan 8.280 nan 0.000 0.513 715 A N -0.149 122.737 122.820 0.111 0.000 1.898 715 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 715 A C 2.677 180.390 177.584 0.216 0.000 1.181 715 A CA 1.658 53.858 52.037 0.272 0.000 0.620 715 A CB -1.380 17.850 19.000 0.383 0.000 0.819 715 A HN 0.437 nan 8.150 nan 0.000 0.442 716 G N -1.314 107.582 108.800 0.161 0.000 2.422 716 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.218 716 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.218 716 G C 1.453 176.410 174.900 0.095 0.000 1.146 716 G CA 1.079 46.235 45.100 0.094 0.000 0.769 716 G HN 0.480 nan 8.290 nan 0.000 0.547 717 F N 0.799 120.766 119.950 0.028 0.000 2.051 717 F HA -0.056 4.471 4.527 -0.001 0.000 0.296 717 F C 2.358 178.166 175.800 0.014 0.000 1.122 717 F CA 1.049 59.065 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 0.478 121.884 121.223 0.305 0.000 2.187 718 L HA -0.182 4.158 4.340 -0.001 0.000 0.213 718 L C 2.123 179.006 176.870 0.022 0.000 1.100 718 L CA 1.467 56.437 54.840 0.217 0.000 0.765 718 L CB -1.371 40.906 42.059 0.362 0.000 0.904 718 L HN 0.306 nan 8.230 nan 0.000 0.437 719 L N -1.059 120.105 121.223 -0.099 0.000 2.599 719 L HA 0.040 4.379 4.340 -0.001 0.000 0.230 719 L C 1.399 178.109 176.870 -0.267 0.000 1.141 719 L CA 0.217 54.845 54.840 -0.354 0.000 0.877 719 L CB -0.220 41.561 42.059 -0.464 0.000 1.009 719 L HN 0.192 nan 8.230 nan 0.000 0.447 720 A N -0.748 121.934 122.820 -0.229 0.000 2.842 720 A HA 0.162 4.482 4.320 -0.001 0.000 0.298 720 A C 0.120 177.561 177.584 -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 -0.234 0.000 1.119 720 A HN 0.338 nan 8.150 nan 0.000 0.564 721 D N -0.238 120.048 120.400 -0.190 0.000 3.082 721 D HA -0.097 4.543 4.640 -0.001 0.000 0.234 721 D C -2.631 173.558 176.300 -0.185 0.000 1.159 721 D CA 0.391 54.307 54.000 -0.141 0.000 0.875 721 D CB -0.748 39.987 40.800 -0.107 0.000 0.946 721 D HN 0.312 nan 8.370 nan 0.000 0.411 722 P HA 0.249 nan 4.420 nan 0.000 0.266 722 P C -0.441 176.824 177.300 -0.058 0.000 1.195 722 P CA 0.220 63.175 63.100 -0.242 0.000 0.768 722 P CB 0.686 32.353 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 0.621 4.940 4.320 -0.001 0.000 0.269 723 K C -0.521 176.171 176.600 0.152 0.000 0.965 723 K CA -0.717 55.608 56.287 0.064 0.000 0.860 723 K CB 1.299 33.819 32.500 0.034 0.000 1.423 723 K HN 0.396 nan 8.250 nan 0.000 0.438 731 V N 1.801 121.681 119.914 -0.055 0.000 2.378 731 V HA 0.581 4.700 4.120 -0.001 0.000 0.288 731 V C -0.150 175.929 176.094 -0.024 0.000 1.016 731 V CA -0.114 62.153 62.300 -0.055 0.000 0.840 731 V CB 2.002 33.746 31.823 -0.131 0.000 0.994 731 V HN 0.628 nan 8.190 nan 0.000 0.431 732 E N 6.587 126.792 120.200 0.009 0.000 2.134 732 E HA 0.517 4.866 4.350 -0.001 0.000 0.278 732 E C -1.199 175.438 176.600 0.061 0.000 0.959 732 E CA -0.591 55.822 56.400 0.022 0.000 0.783 732 E CB 1.314 31.026 29.700 0.019 0.000 1.095 732 E HN 0.769 nan 8.360 nan 0.000 0.399 733 I N 3.980 124.587 120.570 0.061 0.000 2.418 733 I HA 0.205 4.375 4.170 -0.001 0.000 0.287 733 I C -0.511 175.660 176.117 0.090 0.000 1.008 733 I CA -0.861 60.490 61.300 0.086 0.000 1.104 733 I CB 1.866 39.906 38.000 0.067 0.000 1.264 733 I HN 0.406 nan 8.210 nan 0.000 0.438 734 Q N 5.283 125.161 119.800 0.130 0.000 2.257 734 Q HA 0.669 5.009 4.340 -0.001 0.000 0.255 734 Q C -0.773 175.331 176.000 0.174 0.000 0.920 734 Q CA -0.144 55.743 55.803 0.139 0.000 0.927 734 Q CB 1.964 30.774 28.738 0.121 0.000 1.229 734 Q HN 0.833 nan 8.270 nan 0.000 0.433 735 C N 1.148 120.544 119.300 0.159 0.000 3.231 735 C HA 0.674 5.133 4.460 -0.001 0.000 0.343 735 C C -2.941 172.152 174.990 0.172 0.000 1.349 735 C CA -1.837 57.262 59.018 0.135 0.000 1.209 735 C CB 0.745 28.507 27.740 0.037 0.000 1.475 735 C HN 0.554 nan 8.230 nan 0.000 0.460 736 P HA 0.218 nan 4.420 nan 0.000 0.272 736 P C 0.728 178.074 177.300 0.075 0.000 1.223 736 P CA 0.472 63.661 63.100 0.148 0.000 0.784 736 P CB 0.557 32.307 31.700 0.083 0.000 0.923 737 E N 2.171 122.424 120.200 0.089 0.000 2.013 737 E HA -0.333 4.017 4.350 -0.001 0.000 0.202 737 E C 1.334 177.801 176.600 -0.221 0.000 1.018 737 E CA 1.850 58.061 56.400 -0.315 0.000 0.834 737 E CB -0.313 29.319 29.700 -0.113 0.000 0.770 737 E HN 0.362 nan 8.360 nan 0.000 0.459 738 Q N 0.278 120.024 119.800 -0.091 0.000 2.389 738 Q HA -0.146 4.193 4.340 -0.001 0.000 0.213 738 Q C 1.705 177.659 176.000 -0.077 0.000 0.989 738 Q CA 1.724 57.485 55.803 -0.069 0.000 0.891 738 Q CB -0.479 28.241 28.738 -0.029 0.000 0.923 738 Q HN 0.394 nan 8.270 nan 0.000 0.455 739 A N 0.082 122.848 122.820 -0.089 0.000 2.044 739 A HA 0.098 4.417 4.320 -0.001 0.000 0.213 739 A C 2.145 179.649 177.584 -0.133 0.000 1.169 739 A CA 0.350 52.331 52.037 -0.093 0.000 0.724 739 A CB -0.248 18.706 19.000 -0.077 0.000 0.840 739 A HN 0.199 nan 8.150 nan 0.000 0.463 740 V N 0.456 120.260 119.914 -0.184 0.000 2.370 740 V HA -0.295 3.825 4.120 -0.001 0.000 0.252 740 V C 2.749 178.703 176.094 -0.233 0.000 1.068 740 V CA 2.068 64.214 62.300 -0.257 0.000 1.061 740 V CB -1.377 30.253 31.823 -0.321 0.000 0.656 740 V HN 0.605 nan 8.190 nan 0.000 0.455 741 G N -0.180 108.570 108.800 -0.084 0.000 2.450 741 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.220 741 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.220 741 G C 1.551 176.446 174.900 -0.009 0.000 1.130 741 G CA 0.934 46.053 45.100 0.030 0.000 0.760 741 G HN 0.615 nan 8.290 nan 0.000 0.557 742 G N 0.861 109.614 108.800 -0.078 0.000 2.421 742 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.217 742 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.217 742 G C 1.727 176.564 174.900 -0.105 0.000 1.143 742 G CA 0.620 45.672 45.100 -0.079 0.000 0.784 742 G HN 0.450 nan 8.290 nan 0.000 0.541 743 I N -0.320 120.132 120.570 -0.196 0.000 2.163 743 I HA -0.218 3.951 4.170 -0.001 0.000 0.243 743 I C 2.418 178.435 176.117 -0.167 0.000 1.085 743 I CA 1.125 62.286 61.300 -0.231 0.000 1.347 743 I CB -0.322 37.443 38.000 -0.391 0.000 1.044 743 I HN 0.119 nan 8.210 nan 0.000 0.408 744 Y N 0.202 120.507 120.300 0.007 0.000 2.242 744 Y HA -0.217 4.332 4.550 -0.001 0.000 0.291 744 Y C 2.999 178.910 175.900 0.019 0.000 1.137 744 Y CA 1.343 59.452 58.100 0.014 0.000 1.181 744 Y CB -1.071 37.387 38.460 -0.005 0.000 0.989 744 Y HN 0.124 nan 8.280 nan 0.000 0.527 745 S N -0.273 115.506 115.700 0.132 0.000 2.359 745 S HA -0.161 4.308 4.470 -0.001 0.000 0.224 745 S C 2.167 176.807 174.600 0.066 0.000 1.035 745 S CA 1.647 59.895 58.200 0.079 0.000 1.018 745 S CB -0.705 62.517 63.200 0.036 0.000 0.876 745 S HN 0.180 nan 8.310 nan 0.000 0.448 746 V N 2.335 122.276 119.914 0.046 0.000 2.270 746 V HA -0.128 3.991 4.120 -0.001 0.000 0.245 746 V C 2.482 178.663 176.094 0.146 0.000 1.043 746 V CA 1.886 64.224 62.300 0.063 0.000 1.014 746 V CB -0.868 30.950 31.823 -0.008 0.000 0.645 746 V HN 0.468 nan 8.190 nan 0.000 0.447 747 L N 0.568 121.897 121.223 0.178 0.000 2.021 747 L HA -0.249 4.091 4.340 -0.001 0.000 0.215 747 L C 2.476 179.424 176.870 0.132 0.000 1.074 747 L CA 1.814 56.760 54.840 0.177 0.000 0.760 747 L CB -0.876 41.281 42.059 0.164 0.000 0.889 747 L HN 0.420 nan 8.230 nan 0.000 0.433 748 N N 0.285 119.058 118.700 0.122 0.000 2.364 748 N HA -0.153 4.586 4.740 -0.001 0.000 0.183 748 N C 1.520 177.077 175.510 0.079 0.000 1.022 748 N CA 1.116 54.222 53.050 0.094 0.000 0.883 748 N CB -0.145 38.392 38.487 0.084 0.000 0.965 748 N HN 0.452 nan 8.380 nan 0.000 0.438 749 K N 0.514 120.964 120.400 0.083 0.000 2.459 749 K HA 0.101 4.421 4.320 -0.001 0.000 0.193 749 K C 0.255 176.903 176.600 0.080 0.000 1.030 749 K CA 0.559 56.889 56.287 0.072 0.000 1.026 749 K CB 0.355 32.895 32.500 0.065 0.000 0.809 749 K HN 0.113 nan 8.250 nan 0.000 0.504 750 K N 0.823 121.279 120.400 0.093 0.000 3.239 750 K HA 0.244 4.563 4.320 -0.001 0.000 0.204 750 K C -0.762 175.875 176.600 0.062 0.000 1.126 750 K CA -0.243 56.094 56.287 0.083 0.000 0.948 750 K CB 0.895 33.463 32.500 0.114 0.000 0.818 750 K HN 0.006 nan 8.250 nan 0.000 0.480 751 R N -0.061 120.476 120.500 0.063 0.000 3.591 751 R HA -0.195 4.144 4.340 -0.001 0.000 0.268 751 R C 0.600 176.941 176.300 0.068 0.000 1.102 751 R CA 0.672 56.809 56.100 0.062 0.000 0.732 751 R CB -1.889 28.445 30.300 0.057 0.000 1.117 751 R HN 0.537 nan 8.270 nan 0.000 0.472 752 G N 0.239 109.082 108.800 0.073 0.000 2.621 752 G HA2 0.311 4.271 3.960 -0.001 0.000 0.271 752 G HA3 0.311 4.271 3.960 -0.001 0.000 0.271 752 G C -0.490 174.470 174.900 0.100 0.000 1.236 752 G CA -0.292 44.854 45.100 0.076 0.000 0.958 752 G HN 0.193 nan 8.290 nan 0.000 0.512 753 Q N -0.646 119.220 119.800 0.109 0.000 2.313 753 Q HA 0.361 4.700 4.340 -0.001 0.000 0.255 753 Q C -1.243 174.796 176.000 0.064 0.000 0.944 753 Q CA -0.622 55.246 55.803 0.110 0.000 0.881 753 Q CB 2.014 30.849 28.738 0.160 0.000 1.375 753 Q HN 0.434 nan 8.270 nan 0.000 0.422 754 V N 3.739 123.701 119.914 0.080 0.000 2.811 754 V HA 0.107 4.227 4.120 -0.001 0.000 0.302 754 V C 0.755 176.834 176.094 -0.024 0.000 1.063 754 V CA 0.051 62.394 62.300 0.073 0.000 1.088 754 V CB 1.231 33.170 31.823 0.193 0.000 0.982 754 V HN 0.806 nan 8.190 nan 0.000 0.485 755 V N 1.872 121.732 119.914 -0.091 0.000 2.996 755 V HA 0.218 4.338 4.120 -0.001 0.000 0.235 755 V C 0.516 176.570 176.094 -0.067 0.000 1.205 755 V CA 1.086 63.292 62.300 -0.157 0.000 1.225 755 V CB 1.104 32.694 31.823 -0.388 0.000 0.995 755 V HN 0.978 nan 8.190 nan 0.000 0.484 756 S N -0.233 115.448 115.700 -0.031 0.000 2.535 756 S HA 0.543 5.013 4.470 -0.001 0.000 0.272 756 S C -1.159 173.477 174.600 0.060 0.000 1.149 756 S CA -0.581 57.625 58.200 0.011 0.000 0.888 756 S CB 2.360 65.555 63.200 -0.010 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 0.094 0.000 2.346 757 E HA 0.311 4.660 4.350 -0.001 0.000 0.239 757 E C -0.186 176.506 176.600 0.153 0.000 0.943 757 E CA -0.375 56.120 56.400 0.157 0.000 0.751 757 E CB 0.571 30.397 29.700 0.210 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 0.474 4.824 4.350 -0.001 0.000 0.245 758 E C -0.155 176.429 176.600 -0.027 0.000 1.016 758 E CA -0.860 55.569 56.400 0.048 0.000 0.963 758 E CB 1.184 30.890 29.700 0.010 0.000 1.360 758 E HN 0.327 nan 8.360 nan 0.000 0.472 764 P HA 0.323 nan 4.420 nan 0.000 0.317 764 P C 0.682 177.930 177.300 -0.086 0.000 1.427 764 P CA -0.365 62.691 63.100 -0.074 0.000 0.820 764 P CB 0.349 32.008 31.700 -0.068 0.000 1.894 765 L N -2.505 118.686 121.223 -0.054 0.000 2.985 765 L HA 0.357 4.696 4.340 -0.001 0.000 0.201 765 L C 0.361 177.169 176.870 -0.103 0.000 1.291 765 L CA -0.726 54.121 54.840 0.012 0.000 1.141 765 L CB -0.295 41.818 42.059 0.090 0.000 2.131 765 L HN 0.077 nan 8.230 nan 0.000 0.538 766 F N -1.005 118.952 119.950 0.010 0.000 2.509 766 F HA 0.502 5.028 4.527 -0.001 0.000 0.334 766 F C 0.071 175.875 175.800 0.007 0.000 1.060 766 F CA -0.431 57.574 58.000 0.008 0.000 0.997 766 F CB 2.069 41.073 39.000 0.006 0.000 1.271 766 F HN 0.325 nan 8.300 nan 0.000 0.488 767 T N -0.597 114.076 114.554 0.197 0.000 3.066 767 T HA 0.593 4.943 4.350 -0.001 0.000 0.318 767 T C -1.362 173.398 174.700 0.101 0.000 0.979 767 T CA -0.727 61.439 62.100 0.109 0.000 1.025 767 T CB 0.297 69.196 68.868 0.051 0.000 1.002 767 T HN 0.298 nan 8.240 nan 0.000 0.453 768 V N 4.130 124.083 119.914 0.066 0.000 2.407 768 V HA 0.506 4.626 4.120 -0.001 0.000 0.278 768 V C 0.216 176.313 176.094 0.006 0.000 1.037 768 V CA -0.670 61.648 62.300 0.031 0.000 0.900 768 V CB 1.383 33.171 31.823 -0.059 0.000 0.983 768 V HN 0.808 nan 8.190 nan 0.000 0.459 769 K N 3.192 123.585 120.400 -0.010 0.000 2.221 769 K HA 0.879 5.198 4.320 -0.001 0.000 0.258 769 K C -0.479 176.052 176.600 -0.116 0.000 0.944 769 K CA -0.384 55.865 56.287 -0.063 0.000 0.823 769 K CB 2.225 34.677 32.500 -0.080 0.000 1.113 769 K HN 0.857 nan 8.250 nan 0.000 0.431 770 A N 2.069 124.794 122.820 -0.158 0.000 2.610 770 A HA 0.554 4.874 4.320 -0.001 0.000 0.291 770 A C -2.009 175.456 177.584 -0.199 0.000 1.086 770 A CA -0.749 51.172 52.037 -0.194 0.000 0.677 770 A CB 0.722 19.692 19.000 -0.050 0.000 1.278 770 A HN 0.519 nan 8.150 nan 0.000 0.414 771 Y N -0.196 120.095 120.300 -0.015 0.000 2.320 771 Y HA 0.635 5.185 4.550 -0.001 0.000 0.334 771 Y C -0.191 175.657 175.900 -0.088 0.000 1.055 771 Y CA -0.889 57.183 58.100 -0.047 0.000 1.143 771 Y CB 1.691 40.171 38.460 0.034 0.000 1.193 771 Y HN 0.565 nan 8.280 nan 0.000 0.477 772 L N 6.564 127.796 121.223 0.015 0.000 2.404 772 L HA 0.658 4.998 4.340 -0.001 0.000 0.272 772 L C -2.787 174.007 176.870 -0.127 0.000 0.980 772 L CA -2.097 52.675 54.840 -0.113 0.000 0.836 772 L CB 1.570 43.439 42.059 -0.317 0.000 1.238 772 L HN 0.349 nan 8.230 nan 0.000 0.408 773 P HA 0.058 nan 4.420 nan 0.000 0.264 773 P C 0.924 178.148 177.300 -0.127 0.000 1.183 773 P CA -0.211 62.851 63.100 -0.063 0.000 0.763 773 P CB 0.836 32.538 31.700 0.004 0.000 0.807 774 V N 2.414 122.259 119.914 -0.115 0.000 2.407 774 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 774 V C 1.789 177.677 176.094 -0.343 0.000 1.055 774 V CA 2.293 64.480 62.300 -0.189 0.000 1.049 774 V CB -1.235 30.529 31.823 -0.097 0.000 0.662 774 V HN 0.695 nan 8.190 nan 0.000 0.455 775 N N 0.151 118.759 118.700 -0.154 0.000 2.575 775 N HA -0.116 4.624 4.740 -0.001 0.000 0.192 775 N C 1.043 176.434 175.510 -0.197 0.000 1.200 775 N CA 0.707 53.664 53.050 -0.154 0.000 0.897 775 N CB -0.213 38.333 38.487 0.098 0.000 0.990 775 N HN 0.457 nan 8.380 nan 0.000 0.449 776 E N -0.643 119.419 120.200 -0.230 0.000 2.603 776 E HA 0.095 4.445 4.350 -0.001 0.000 0.211 776 E C 0.227 176.727 176.600 -0.167 0.000 0.995 776 E CA 0.140 56.465 56.400 -0.125 0.000 0.990 776 E CB 0.463 30.132 29.700 -0.051 0.000 1.036 776 E HN 0.529 nan 8.360 nan 0.000 0.475 777 S N -0.412 115.053 115.700 -0.392 0.000 2.557 777 S HA 0.192 4.662 4.470 -0.001 0.000 0.223 777 S C 0.335 174.873 174.600 -0.103 0.000 0.969 777 S CA -0.525 57.516 58.200 -0.266 0.000 0.927 777 S CB -0.366 62.636 63.200 -0.329 0.000 0.806 777 S HN -0.076 nan 8.310 nan 0.000 0.489 778 F N 2.744 122.766 119.950 0.120 0.000 2.438 778 F HA 0.618 5.145 4.527 -0.001 0.000 0.360 778 F C 1.624 177.497 175.800 0.122 0.000 1.118 778 F CA -0.407 57.659 58.000 0.110 0.000 1.164 778 F CB 0.388 39.436 39.000 0.081 0.000 1.131 778 F HN 0.291 nan 8.300 nan 0.000 0.527 779 G N 2.677 111.656 108.800 0.297 0.000 2.175 779 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.244 779 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.244 779 G C 1.059 176.056 174.900 0.163 0.000 0.982 779 G CA 0.217 45.432 45.100 0.192 0.000 0.641 779 G HN 0.592 nan 8.290 nan 0.000 0.527 780 F N 1.920 121.908 119.950 0.063 0.000 2.091 780 F HA -0.072 4.454 4.527 -0.001 0.000 0.299 780 F C 2.627 178.442 175.800 0.024 0.000 1.103 780 F CA 2.987 61.004 58.000 0.028 0.000 1.228 780 F CB -0.586 38.418 39.000 0.007 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 -0.154 4.195 4.350 -0.001 0.000 0.269 781 T C 2.065 176.685 174.700 -0.134 0.000 1.050 781 T CA 1.760 63.836 62.100 -0.041 0.000 1.137 781 T CB -1.077 67.856 68.868 0.109 0.000 0.860 781 T HN 0.464 nan 8.240 nan 0.000 0.468 782 G N 0.273 109.028 108.800 -0.076 0.000 2.404 782 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.214 782 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.214 782 G C 1.499 176.319 174.900 -0.133 0.000 1.189 782 G CA 0.546 45.604 45.100 -0.071 0.000 0.789 782 G HN 0.576 nan 8.290 nan 0.000 0.533 783 E N -0.281 119.822 120.200 -0.162 0.000 2.265 783 E HA -0.079 4.271 4.350 -0.001 0.000 0.196 783 E C 2.315 178.751 176.600 -0.274 0.000 0.996 783 E CA 0.405 56.700 56.400 -0.176 0.000 0.832 783 E CB -0.048 29.574 29.700 -0.131 0.000 0.756 783 E HN 0.353 nan 8.360 nan 0.000 0.491 784 L N 1.509 122.463 121.223 -0.447 0.000 2.068 784 L HA -0.124 4.215 4.340 -0.001 0.000 0.204 784 L C 2.374 179.069 176.870 -0.293 0.000 1.076 784 L CA 1.607 56.169 54.840 -0.464 0.000 0.753 784 L CB -0.200 41.439 42.059 -0.700 0.000 0.910 784 L HN -0.054 nan 8.230 nan 0.000 0.439 785 R N -1.094 119.253 120.500 -0.256 0.000 2.120 785 R HA -0.196 4.144 4.340 -0.001 0.000 0.234 785 R C 2.132 178.338 176.300 -0.157 0.000 1.123 785 R CA 1.473 57.446 56.100 -0.213 0.000 0.975 785 R CB -0.861 29.331 30.300 -0.179 0.000 0.866 785 R HN 0.329 nan 8.270 nan 0.000 0.446 786 Q N 1.028 120.746 119.800 -0.136 0.000 2.224 786 Q HA 0.052 4.392 4.340 -0.001 0.000 0.203 786 Q C 1.800 177.744 176.000 -0.094 0.000 0.970 786 Q CA 1.884 57.630 55.803 -0.096 0.000 0.865 786 Q CB -0.050 28.641 28.738 -0.078 0.000 0.922 786 Q HN 0.534 nan 8.270 nan 0.000 0.445 787 A N -1.047 121.702 122.820 -0.119 0.000 2.238 787 A HA 0.093 4.413 4.320 -0.001 0.000 0.210 787 A C 1.480 179.001 177.584 -0.105 0.000 1.179 787 A CA 0.998 52.975 52.037 -0.100 0.000 0.827 787 A CB -0.023 18.914 19.000 -0.106 0.000 0.856 787 A HN 0.398 nan 8.150 nan 0.000 0.488 788 T N -5.286 109.191 114.554 -0.128 0.000 3.145 788 T HA 0.426 4.776 4.350 -0.001 0.000 0.281 788 T C 1.069 175.701 174.700 -0.112 0.000 1.003 788 T CA 0.867 62.892 62.100 -0.125 0.000 0.901 788 T CB -0.072 68.700 68.868 -0.161 0.000 1.112 788 T HN 1.552 nan 8.240 nan 0.000 0.535 789 G N 1.099 109.841 108.800 -0.098 0.000 2.273 789 G HA2 0.125 4.085 3.960 -0.001 0.000 0.280 789 G HA3 0.125 4.085 3.960 -0.001 0.000 0.280 789 G C 1.117 175.958 174.900 -0.099 0.000 1.047 789 G CA 0.256 45.309 45.100 -0.079 0.000 0.869 789 G HN 1.840 nan 8.290 nan 0.000 0.502 790 G N -1.501 107.213 108.800 -0.145 0.000 2.203 790 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.263 790 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.263 790 G C 0.836 175.569 174.900 -0.279 0.000 1.012 790 G CA 1.352 46.334 45.100 -0.197 0.000 0.749 790 G HN 0.963 nan 8.290 nan 0.000 0.512 791 Q N -0.853 118.793 119.800 -0.257 0.000 2.378 791 Q HA 0.497 4.837 4.340 -0.001 0.000 0.216 791 Q C 1.466 177.269 176.000 -0.329 0.000 0.892 791 Q CA 0.578 56.247 55.803 -0.223 0.000 0.931 791 Q CB 0.708 29.395 28.738 -0.086 0.000 1.086 791 Q HN 0.771 nan 8.270 nan 0.000 0.528 792 A N 0.726 123.307 122.820 -0.399 0.000 2.310 792 A HA 0.565 4.884 4.320 -0.001 0.000 0.299 792 A C -1.012 176.243 177.584 -0.547 0.000 1.147 792 A CA -0.225 51.624 52.037 -0.313 0.000 0.818 792 A CB 0.215 19.095 19.000 -0.201 0.000 1.096 792 A HN 0.165 nan 8.150 nan 0.000 0.495 793 F N 3.792 123.739 119.950 -0.006 0.000 2.434 793 F HA 0.392 4.918 4.527 -0.001 0.000 0.355 793 F C -2.001 173.829 175.800 0.050 0.000 1.115 793 F CA -2.019 55.990 58.000 0.015 0.000 1.010 793 F CB 2.111 41.108 39.000 -0.005 0.000 1.234 793 F HN 0.389 nan 8.300 nan 0.000 0.439 794 P HA 0.213 nan 4.420 nan 0.000 0.276 794 P C -1.416 175.999 177.300 0.191 0.000 1.244 794 P CA -0.464 62.769 63.100 0.221 0.000 0.801 794 P CB 2.023 33.915 31.700 0.320 0.000 1.006 795 Q N 1.026 120.911 119.800 0.141 0.000 2.295 795 Q HA 0.567 4.906 4.340 -0.001 0.000 0.268 795 Q C -1.602 174.434 176.000 0.060 0.000 1.010 795 Q CA -0.475 55.388 55.803 0.100 0.000 0.856 795 Q CB 1.733 30.518 28.738 0.079 0.000 1.349 795 Q HN 0.409 nan 8.270 nan 0.000 0.412 796 M N 2.770 122.400 119.600 0.049 0.000 2.386 796 M HA 0.635 5.115 4.480 -0.001 0.000 0.293 796 M C -1.482 174.829 176.300 0.017 0.000 1.120 796 M CA -1.016 54.290 55.300 0.010 0.000 0.909 796 M CB 2.527 35.118 32.600 -0.014 0.000 1.661 796 M HN 0.384 nan 8.290 nan 0.000 0.452 797 V N 2.828 122.739 119.914 -0.004 0.000 2.841 797 V HA 0.553 4.672 4.120 -0.001 0.000 0.310 797 V C -1.465 174.618 176.094 -0.018 0.000 1.090 797 V CA -0.703 61.600 62.300 0.004 0.000 0.930 797 V CB 2.330 34.148 31.823 -0.008 0.000 1.014 797 V HN 0.731 nan 8.190 nan 0.000 0.425 798 F N 4.713 124.579 119.950 -0.139 0.000 2.608 798 F HA 0.240 4.766 4.527 -0.001 0.000 0.380 798 F C 0.733 176.373 175.800 -0.267 0.000 1.083 798 F CA 1.074 58.938 58.000 -0.225 0.000 1.266 798 F CB 1.045 39.911 39.000 -0.223 0.000 1.076 798 F HN 0.814 nan 8.300 nan 0.000 0.574 799 D N 2.776 122.443 120.400 -1.223 0.000 2.995 799 D HA 0.062 4.702 4.640 -0.001 0.000 0.289 799 D C 0.390 175.814 176.300 -1.459 0.000 1.116 799 D CA 1.016 54.404 54.000 -1.019 0.000 0.994 799 D CB 0.254 40.775 40.800 -0.465 0.000 1.209 799 D HN 0.727 nan 8.370 nan 0.000 0.458 800 H N -3.695 114.350 119.070 -1.708 0.000 3.997 800 H HA 0.293 4.848 4.556 -0.001 0.000 0.371 800 H C -1.253 173.280 175.328 -1.324 0.000 1.530 800 H CA -0.941 54.014 56.048 -1.822 0.000 1.082 800 H CB -0.007 29.249 29.762 -0.843 0.000 1.466 800 H HN 0.082 nan 8.280 nan 0.000 0.793 801 W N 0.683 122.000 121.300 0.028 0.000 2.915 801 W HA 0.586 5.245 4.660 -0.001 0.000 0.337 801 W C -0.440 176.017 176.519 -0.102 0.000 1.102 801 W CA -0.793 56.646 57.345 0.156 0.000 1.224 801 W CB 2.406 31.930 29.460 0.107 0.000 1.416 801 W HN 0.530 nan 8.180 nan 0.000 0.503 802 S N 1.234 117.209 115.700 0.458 0.000 2.561 802 S HA 0.535 5.005 4.470 -0.001 0.000 0.303 802 S C -0.609 174.128 174.600 0.229 0.000 1.110 802 S CA -0.489 57.804 58.200 0.154 0.000 1.034 802 S CB 0.797 64.049 63.200 0.087 0.000 1.010 802 S HN 0.300 nan 8.310 nan 0.000 0.482 803 T N 5.837 120.480 114.554 0.149 0.000 2.752 803 T HA 0.291 4.641 4.350 -0.001 0.000 0.295 803 T C 0.137 174.910 174.700 0.121 0.000 0.923 803 T CA -0.154 62.030 62.100 0.141 0.000 1.112 803 T CB -0.130 68.794 68.868 0.093 0.000 0.884 803 T HN 0.537 nan 8.240 nan 0.000 0.525 804 L N 3.046 124.351 121.223 0.137 0.000 2.360 804 L HA 0.291 4.630 4.340 -0.001 0.000 0.276 804 L C 1.771 178.683 176.870 0.071 0.000 1.121 804 L CA -0.350 54.553 54.840 0.106 0.000 0.845 804 L CB 0.599 42.724 42.059 0.110 0.000 1.143 804 L HN 0.861 nan 8.230 nan 0.000 0.452 805 G N 1.735 110.567 108.800 0.054 0.000 2.484 805 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.218 805 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.218 805 G C 0.791 175.707 174.900 0.026 0.000 1.130 805 G CA 0.238 45.359 45.100 0.036 0.000 0.784 805 G HN 0.651 nan 8.290 nan 0.000 0.543 806 S N 0.229 115.946 115.700 0.027 0.000 2.584 806 S HA 0.193 4.663 4.470 -0.001 0.000 0.270 806 S C -0.240 174.367 174.600 0.011 0.000 1.346 806 S CA -0.668 57.542 58.200 0.016 0.000 1.018 806 S CB 1.536 64.743 63.200 0.012 0.000 0.899 806 S HN 0.136 nan 8.310 nan 0.000 0.542 807 D N 1.442 121.845 120.400 0.005 0.000 2.358 807 D HA 0.194 4.833 4.640 -0.001 0.000 0.258 807 D C -1.656 174.641 176.300 -0.005 0.000 1.223 807 D CA -1.951 52.052 54.000 0.006 0.000 0.886 807 D CB 1.090 41.895 40.800 0.008 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 1.043 178.324 177.300 -0.030 0.000 1.147 808 P CA 0.439 63.525 63.100 -0.024 0.000 0.790 808 P CB 0.333 32.051 31.700 0.029 0.000 0.780 809 L N -1.402 119.824 121.223 0.006 0.000 2.591 809 L HA 0.119 4.458 4.340 -0.001 0.000 0.228 809 L C 0.652 177.521 176.870 -0.002 0.000 1.133 809 L CA 0.749 55.596 54.840 0.012 0.000 0.880 809 L CB -0.939 41.147 42.059 0.046 0.000 1.033 809 L HN -0.086 nan 8.230 nan 0.000 0.450 810 D N -0.115 120.279 120.400 -0.011 0.000 2.443 810 D HA 0.198 4.838 4.640 -0.001 0.000 0.221 810 D C -1.789 174.495 176.300 -0.027 0.000 1.097 810 D CA -2.370 51.622 54.000 -0.012 0.000 0.865 810 D CB 1.645 42.441 40.800 -0.006 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 0.892 178.173 177.300 -0.032 0.000 1.141 811 P CA 1.391 64.469 63.100 -0.037 0.000 0.794 811 P CB 0.193 31.877 31.700 -0.027 0.000 0.764 812 T N -6.189 108.352 114.554 -0.022 0.000 3.054 812 T HA 0.163 4.512 4.350 -0.001 0.000 0.255 812 T C 0.820 175.512 174.700 -0.013 0.000 1.035 812 T CA -0.213 61.877 62.100 -0.015 0.000 0.941 812 T CB -0.430 68.434 68.868 -0.008 0.000 1.026 812 T HN 0.104 nan 8.240 nan 0.000 0.533 813 S N 0.874 116.563 115.700 -0.018 0.000 2.669 813 S HA 0.420 4.890 4.470 -0.001 0.000 0.270 813 S C 1.129 175.718 174.600 -0.020 0.000 1.225 813 S CA -0.971 57.222 58.200 -0.012 0.000 0.991 813 S CB 1.520 64.714 63.200 -0.010 0.000 0.987 813 S HN 0.205 nan 8.310 nan 0.000 0.552 814 K N 0.619 121.014 120.400 -0.008 0.000 2.032 814 K HA -0.140 4.179 4.320 -0.001 0.000 0.209 814 K C 2.430 179.008 176.600 -0.036 0.000 1.048 814 K CA 1.520 57.803 56.287 -0.007 0.000 0.927 814 K CB -0.803 31.707 32.500 0.017 0.000 0.712 814 K HN 0.730 nan 8.250 nan 0.000 0.441 815 A N 1.212 124.009 122.820 -0.039 0.000 1.873 815 A HA -0.075 4.245 4.320 -0.001 0.000 0.215 815 A C 2.472 179.964 177.584 -0.152 0.000 1.186 815 A CA 1.868 53.854 52.037 -0.085 0.000 0.616 815 A CB -1.209 17.768 19.000 -0.039 0.000 0.823 815 A HN 0.434 nan 8.150 nan 0.000 0.442 816 G N -0.265 108.472 108.800 -0.106 0.000 2.442 816 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 816 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 816 G C 1.393 176.210 174.900 -0.138 0.000 1.141 816 G CA 1.042 46.070 45.100 -0.119 0.000 0.763 816 G HN 0.685 nan 8.290 nan 0.000 0.554 817 E N 0.096 120.233 120.200 -0.106 0.000 2.077 817 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 817 E C 2.515 179.035 176.600 -0.134 0.000 0.989 817 E CA 0.663 57.009 56.400 -0.089 0.000 0.800 817 E CB -0.161 29.512 29.700 -0.046 0.000 0.746 817 E HN 0.495 nan 8.360 nan 0.000 0.452 818 I N 0.906 121.361 120.570 -0.192 0.000 2.226 818 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 818 I C 2.388 178.235 176.117 -0.451 0.000 1.100 818 I CA 0.791 61.920 61.300 -0.284 0.000 1.374 818 I CB -0.190 37.557 38.000 -0.422 0.000 1.057 818 I HN -0.023 nan 8.210 nan 0.000 0.413 819 V N 0.633 120.205 119.914 -0.569 0.000 2.427 819 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 819 V C 2.318 178.180 176.094 -0.387 0.000 1.051 819 V CA 1.431 63.257 62.300 -0.790 0.000 1.048 819 V CB -0.395 31.052 31.823 -0.626 0.000 0.666 819 V HN 0.358 nan 8.190 nan 0.000 0.456 820 L N 0.792 121.881 121.223 -0.224 0.000 2.093 820 L HA 0.023 4.363 4.340 -0.001 0.000 0.208 820 L C 2.390 179.213 176.870 -0.078 0.000 1.085 820 L CA 2.226 56.998 54.840 -0.114 0.000 0.755 820 L CB -0.867 41.144 42.059 -0.079 0.000 0.904 820 L HN 0.202 nan 8.230 nan 0.000 0.435 821 A N -0.497 122.270 122.820 -0.088 0.000 1.898 821 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 821 A C 2.428 179.994 177.584 -0.029 0.000 1.181 821 A CA 1.563 53.574 52.037 -0.043 0.000 0.620 821 A CB -1.055 17.931 19.000 -0.023 0.000 0.819 821 A HN 0.534 nan 8.150 nan 0.000 0.442 822 A N -0.327 122.482 122.820 -0.019 0.000 1.930 822 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 822 A C 2.242 179.915 177.584 0.148 0.000 1.175 822 A CA 1.336 53.435 52.037 0.104 0.000 0.627 822 A CB -0.418 18.824 19.000 0.403 0.000 0.815 822 A HN 0.524 nan 8.150 nan 0.000 0.443 823 R N -0.116 120.458 120.500 0.124 0.000 2.073 823 R HA -0.094 4.245 4.340 -0.001 0.000 0.234 823 R C 2.173 178.526 176.300 0.089 0.000 1.134 823 R CA 1.609 57.796 56.100 0.145 0.000 0.952 823 R CB -0.263 30.083 30.300 0.076 0.000 0.850 823 R HN 0.481 nan 8.270 nan 0.000 0.433 824 K N 0.218 120.635 120.400 0.028 0.000 2.057 824 K HA -0.152 4.167 4.320 -0.001 0.000 0.206 824 K C 2.154 178.751 176.600 -0.005 0.000 1.050 824 K CA 0.984 57.279 56.287 0.012 0.000 0.935 824 K CB -0.183 32.315 32.500 -0.004 0.000 0.715 824 K HN 0.081 nan 8.250 nan 0.000 0.439 825 R N 0.458 120.922 120.500 -0.061 0.000 2.159 825 R HA -0.142 4.198 4.340 -0.001 0.000 0.237 825 R C 1.331 177.528 176.300 -0.172 0.000 1.131 825 R CA 1.265 57.277 56.100 -0.147 0.000 0.982 825 R CB 0.030 30.184 30.300 -0.243 0.000 0.868 825 R HN 0.319 nan 8.270 nan 0.000 0.453 826 H N -1.577 117.529 119.070 0.060 0.000 2.586 826 H HA 0.195 4.751 4.556 -0.001 0.000 0.273 826 H C 0.859 176.212 175.328 0.042 0.000 0.997 826 H CA 0.662 56.743 56.048 0.054 0.000 1.177 826 H CB 1.029 30.834 29.762 0.071 0.000 1.471 826 H HN 0.458 nan 8.280 nan 0.000 0.538 827 G N 1.559 110.432 108.800 0.122 0.000 2.198 827 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.260 827 G HA3 -0.308 3.651 3.960 -0.001 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 -1.019 118.639 119.600 0.096 0.000 2.369 828 M HA 0.557 5.037 4.480 -0.001 0.000 0.291 828 M C 0.706 177.036 176.300 0.051 0.000 1.178 828 M CA -0.896 54.449 55.300 0.075 0.000 0.996 828 M CB 0.769 33.428 32.600 0.097 0.000 1.472 828 M HN 0.051 nan 8.290 nan 0.000 0.496 829 K N 0.920 121.341 120.400 0.036 0.000 2.295 829 K HA 0.045 4.365 4.320 -0.001 0.000 0.270 829 K C 0.430 177.044 176.600 0.022 0.000 1.011 829 K CA 0.504 56.804 56.287 0.021 0.000 0.953 829 K CB 0.604 33.110 32.500 0.010 0.000 0.956 829 K HN 0.618 nan 8.250 nan 0.000 0.477 830 E N 2.083 122.291 120.200 0.012 0.000 2.031 830 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 830 E C -0.361 176.240 176.600 0.002 0.000 0.994 830 E CA 1.220 57.623 56.400 0.006 0.000 0.800 830 E CB -0.043 29.656 29.700 -0.002 0.000 0.752 830 E HN 0.648 nan 8.360 nan 0.000 0.447 831 E N 1.452 121.653 120.200 0.000 0.000 2.414 831 E HA 0.051 4.401 4.350 -0.001 0.000 0.263 831 E C -0.767 175.840 176.600 0.011 0.000 1.000 831 E CA -0.268 56.132 56.400 -0.000 0.000 0.914 831 E CB 1.259 30.955 29.700 -0.007 0.000 0.948 831 E HN -0.095 nan 8.360 nan 0.000 0.444 832 V N 5.791 125.716 119.914 0.020 0.000 2.455 832 V HA 0.111 4.230 4.120 -0.001 0.000 0.273 832 V C -1.924 174.204 176.094 0.056 0.000 1.045 832 V CA -1.612 60.714 62.300 0.044 0.000 0.976 832 V CB 0.629 32.484 31.823 0.054 0.000 0.993 832 V HN 0.605 nan 8.190 nan 0.000 0.475 833 P HA 0.172 nan 4.420 nan 0.000 0.264 833 P C 0.378 177.772 177.300 0.157 0.000 1.193 833 P CA 0.362 63.502 63.100 0.067 0.000 0.763 833 P CB 0.498 32.225 31.700 0.045 0.000 0.810 834 G N 2.628 111.477 108.800 0.082 0.000 2.580 834 G HA2 0.109 4.069 3.960 -0.001 0.000 0.278 834 G HA3 0.109 4.069 3.960 -0.001 0.000 0.278 834 G C 0.905 175.935 174.900 0.217 0.000 1.212 834 G CA -0.680 44.487 45.100 0.111 0.000 0.939 834 G HN 0.724 nan 8.290 nan 0.000 0.513 835 W N -0.157 121.263 121.300 0.200 0.000 2.325 835 W HA -0.192 4.469 4.660 0.000 0.000 0.299 835 W C 1.454 178.130 176.519 0.261 0.000 1.215 835 W CA 1.205 58.703 57.345 0.256 0.000 1.244 835 W CB -0.650 28.893 29.460 0.138 0.000 1.140 835 W HN 0.510 nan 8.180 nan 0.000 0.523 836 Q N 1.082 120.496 119.800 -0.644 0.000 2.248 836 Q HA -0.186 4.153 4.340 -0.001 0.000 0.208 836 Q C 1.954 177.872 176.000 -0.137 0.000 0.984 836 Q CA 2.126 57.555 55.803 -0.622 0.000 0.875 836 Q CB -0.559 27.683 28.738 -0.828 0.000 0.910 836 Q HN 0.322 nan 8.270 nan 0.000 0.433 837 E N -0.805 119.328 120.200 -0.113 0.000 2.409 837 E HA -0.127 4.222 4.350 -0.001 0.000 0.198 837 E C 0.496 176.894 176.600 -0.337 0.000 1.024 837 E CA 0.901 57.147 56.400 -0.258 0.000 0.861 837 E CB 0.123 29.565 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 0.159 176.176 175.900 0.195 0.000 1.138 838 Y CA -0.637 57.559 58.100 0.160 0.000 1.228 838 Y CB 0.235 38.822 38.460 0.211 0.000 1.252 838 Y HN -0.089 nan 8.280 nan 0.000 0.531 839 Y N 2.345 122.789 120.300 0.240 0.000 2.326 839 Y HA 0.362 4.912 4.550 -0.001 0.000 0.337 839 Y C -0.568 175.389 175.900 0.096 0.000 1.023 839 Y CA -0.975 57.255 58.100 0.216 0.000 1.143 839 Y CB 0.647 39.332 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 -0.347 0.000 2.472 840 D HA 0.123 4.763 4.640 -0.001 0.000 0.234 840 D C -0.498 175.601 176.300 -0.335 0.000 1.088 840 D CA -0.462 53.401 54.000 -0.228 0.000 0.882 840 D CB 1.175 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 2.110 122.471 120.400 -0.066 0.000 2.518 841 K HA 0.075 4.395 4.320 -0.001 0.000 0.276 841 K C 0.458 177.054 176.600 -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 -0.001 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