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 2f2h_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.166 176.300 -0.223 0.000 1.140 1 M CA 0.000 55.175 55.300 -0.209 0.000 0.988 1 M CB 0.000 32.402 32.600 -0.330 0.000 1.302 2 K N 4.505 124.786 120.400 -0.198 0.000 2.322 2 K HA 0.378 4.698 4.320 0.000 0.000 0.283 2 K C 0.113 176.563 176.600 -0.251 0.000 1.042 2 K CA 0.158 56.330 56.287 -0.192 0.000 0.958 2 K CB 0.781 33.196 32.500 -0.140 0.000 0.984 2 K HN 0.690 nan 8.250 nan 0.000 0.473 3 I N 0.170 120.571 120.570 -0.281 0.000 3.345 3 I HA -0.097 4.073 4.170 0.000 0.000 0.258 3 I C 0.962 176.931 176.117 -0.246 0.000 1.134 3 I CA 0.184 61.276 61.300 -0.347 0.000 1.457 3 I CB 0.101 37.759 38.000 -0.571 0.000 1.425 3 I HN 0.528 nan 8.210 nan 0.000 0.461 4 S N 0.328 115.902 115.700 -0.211 0.000 2.632 4 S HA 0.171 4.641 4.470 0.000 0.000 0.267 4 S C -0.308 174.226 174.600 -0.111 0.000 1.276 4 S CA -0.419 57.696 58.200 -0.142 0.000 0.998 4 S CB 1.460 64.580 63.200 -0.134 0.000 0.953 4 S HN 0.221 nan 8.310 nan 0.000 0.547 5 D N 0.155 120.509 120.400 -0.076 0.000 2.412 5 D HA 0.495 5.135 4.640 0.000 0.000 0.276 5 D C 0.737 177.016 176.300 -0.035 0.000 1.196 5 D CA 0.798 54.769 54.000 -0.049 0.000 0.905 5 D CB 0.005 40.789 40.800 -0.026 0.000 1.081 5 D HN 1.103 nan 8.370 nan 0.000 0.502 6 G N 3.336 112.098 108.800 -0.064 0.000 2.697 6 G HA2 -0.380 3.580 3.960 0.000 0.000 0.240 6 G HA3 -0.380 3.580 3.960 0.000 0.000 0.240 6 G C 0.918 175.703 174.900 -0.191 0.000 1.346 6 G CA 0.094 45.138 45.100 -0.094 0.000 0.887 6 G HN 0.508 nan 8.290 nan 0.000 0.569 7 N N -0.712 117.760 118.700 -0.381 0.000 2.166 7 N HA -0.033 4.707 4.740 0.000 0.000 0.186 7 N C 1.955 177.121 175.510 -0.572 0.000 1.019 7 N CA 2.705 55.369 53.050 -0.644 0.000 0.856 7 N CB -0.161 37.655 38.487 -1.118 0.000 0.993 7 N HN 0.619 nan 8.380 nan 0.000 0.426 8 W N -0.334 120.955 121.300 -0.020 0.000 2.872 8 W HA 0.395 5.055 4.660 0.000 0.000 0.266 8 W C 0.139 176.648 176.519 -0.017 0.000 1.276 8 W CA -0.544 56.792 57.345 -0.015 0.000 1.471 8 W CB 0.346 29.798 29.460 -0.014 0.000 1.071 8 W HN -0.126 nan 8.180 nan 0.000 0.619 9 L N 0.242 121.549 121.223 0.140 0.000 2.257 9 L HA 0.557 4.897 4.340 0.000 0.000 0.257 9 L C -0.121 176.756 176.870 0.012 0.000 1.033 9 L CA -1.435 53.455 54.840 0.083 0.000 0.835 9 L CB 1.661 43.769 42.059 0.081 0.000 1.398 9 L HN -0.353 nan 8.230 nan 0.000 0.429 10 I N 0.262 120.831 120.570 -0.000 0.000 2.693 10 I HA 0.290 4.460 4.170 0.000 0.000 0.303 10 I C -0.258 175.830 176.117 -0.048 0.000 1.025 10 I CA -0.841 60.436 61.300 -0.038 0.000 1.086 10 I CB 1.778 39.760 38.000 -0.031 0.000 1.268 10 I HN 0.557 nan 8.210 nan 0.000 0.440 11 Q N 3.720 123.472 119.800 -0.079 0.000 2.349 11 Q HA 0.163 4.503 4.340 0.000 0.000 0.287 11 Q C -2.202 173.762 176.000 -0.059 0.000 1.044 11 Q CA -1.294 54.464 55.803 -0.075 0.000 0.918 11 Q CB 0.000 28.674 28.738 -0.107 0.000 1.242 11 Q HN 0.252 nan 8.270 nan 0.000 0.405 12 P HA -0.000 nan 4.420 nan 0.000 0.265 12 P C 0.607 177.884 177.300 -0.039 0.000 1.193 12 P CA 0.924 64.004 63.100 -0.033 0.000 0.765 12 P CB 0.404 32.088 31.700 -0.026 0.000 0.823 13 G N 1.840 110.620 108.800 -0.032 0.000 2.205 13 G HA2 -0.228 3.732 3.960 0.000 0.000 0.261 13 G HA3 -0.228 3.732 3.960 0.000 0.000 0.261 13 G C -0.135 174.739 174.900 -0.044 0.000 0.980 13 G CA -0.302 44.779 45.100 -0.032 0.000 0.632 13 G HN 0.464 nan 8.290 nan 0.000 0.533 14 L N 1.067 122.254 121.223 -0.060 0.000 2.275 14 L HA 0.462 4.802 4.340 0.000 0.000 0.288 14 L C -0.538 176.288 176.870 -0.073 0.000 1.046 14 L CA -0.932 53.859 54.840 -0.082 0.000 0.805 14 L CB 1.188 43.174 42.059 -0.122 0.000 1.193 14 L HN -0.003 nan 8.230 nan 0.000 0.426 15 N N 4.957 123.610 118.700 -0.077 0.000 2.444 15 N HA 0.491 5.231 4.740 0.000 0.000 0.262 15 N C -0.744 174.712 175.510 -0.091 0.000 0.974 15 N CA -0.332 52.679 53.050 -0.064 0.000 0.933 15 N CB 1.987 40.447 38.487 -0.044 0.000 1.137 15 N HN 0.427 nan 8.380 nan 0.000 0.498 16 L N 2.966 124.137 121.223 -0.087 0.000 2.309 16 L HA 0.639 4.979 4.340 0.000 0.000 0.282 16 L C 0.405 177.135 176.870 -0.233 0.000 1.036 16 L CA -1.029 53.724 54.840 -0.145 0.000 0.806 16 L CB 0.953 42.946 42.059 -0.109 0.000 1.220 16 L HN 0.425 nan 8.230 nan 0.000 0.429 17 I N -1.418 119.002 120.570 -0.251 0.000 2.647 17 I HA 0.584 4.754 4.170 0.000 0.000 0.295 17 I C -1.010 174.936 176.117 -0.285 0.000 1.078 17 I CA -0.599 60.571 61.300 -0.217 0.000 1.048 17 I CB 2.327 40.338 38.000 0.018 0.000 1.239 17 I HN 0.477 nan 8.210 nan 0.000 0.421 18 H N 3.198 122.325 119.070 0.094 0.000 2.690 18 H HA 0.478 5.034 4.556 0.000 0.000 0.368 18 H C -2.720 172.365 175.328 -0.405 0.000 1.150 18 H CA -2.060 53.842 56.048 -0.244 0.000 1.174 18 H CB 2.257 31.885 29.762 -0.224 0.000 1.684 18 H HN 0.430 nan 8.280 nan 0.000 0.538 19 P HA 0.106 nan 4.420 nan 0.000 0.271 19 P C 0.351 176.931 177.300 -1.201 0.000 1.233 19 P CA 0.078 62.631 63.100 -0.913 0.000 0.764 19 P CB 1.021 32.034 31.700 -1.145 0.000 0.825 20 L N 1.679 122.468 121.223 -0.724 0.000 2.993 20 L HA 0.292 4.632 4.340 0.000 0.000 0.264 20 L C 0.817 177.650 176.870 -0.062 0.000 1.154 20 L CA 0.301 54.890 54.840 -0.419 0.000 0.972 20 L CB 0.634 42.601 42.059 -0.154 0.000 1.373 20 L HN 0.420 nan 8.230 nan 0.000 0.564 21 Q N 0.913 120.732 119.800 0.033 0.000 2.364 21 Q HA 0.259 4.599 4.340 0.000 0.000 0.251 21 Q C -1.437 174.783 176.000 0.367 0.000 0.927 21 Q CA -0.300 55.661 55.803 0.263 0.000 0.924 21 Q CB 2.909 31.730 28.738 0.139 0.000 1.419 21 Q HN -0.131 nan 8.270 nan 0.000 0.427 22 V N 5.452 125.645 119.914 0.466 0.000 2.485 22 V HA 0.006 4.126 4.120 0.000 0.000 0.287 22 V C 0.600 176.891 176.094 0.329 0.000 1.022 22 V CA 0.790 63.333 62.300 0.405 0.000 1.067 22 V CB 0.142 32.133 31.823 0.279 0.000 0.967 22 V HN 0.812 nan 8.190 nan 0.000 0.479 23 F N 3.310 123.393 119.950 0.221 0.000 2.437 23 F HA 0.343 4.870 4.527 0.000 0.000 0.288 23 F C 0.947 176.848 175.800 0.168 0.000 1.085 23 F CA 0.678 58.780 58.000 0.171 0.000 1.430 23 F CB 0.564 39.662 39.000 0.163 0.000 1.120 23 F HN 0.581 nan 8.300 nan 0.000 0.556 24 E N 0.204 120.499 120.200 0.158 0.000 2.388 24 E HA 0.444 4.794 4.350 0.000 0.000 0.282 24 E C -2.079 174.692 176.600 0.284 0.000 1.026 24 E CA -0.635 55.809 56.400 0.074 0.000 0.820 24 E CB 2.032 31.726 29.700 -0.011 0.000 1.226 24 E HN -0.157 nan 8.360 nan 0.000 0.432 25 V N 2.674 122.695 119.914 0.178 0.000 2.604 25 V HA 0.552 4.672 4.120 0.000 0.000 0.305 25 V C -0.582 175.610 176.094 0.163 0.000 1.043 25 V CA -0.649 61.753 62.300 0.169 0.000 0.888 25 V CB 1.757 33.638 31.823 0.097 0.000 0.995 25 V HN 0.674 nan 8.190 nan 0.000 0.429 26 E N 2.769 123.072 120.200 0.172 0.000 2.263 26 E HA 0.365 4.715 4.350 0.000 0.000 0.268 26 E C -1.174 175.500 176.600 0.123 0.000 0.884 26 E CA -0.612 55.883 56.400 0.158 0.000 0.766 26 E CB 2.158 32.002 29.700 0.240 0.000 1.196 26 E HN 0.771 nan 8.360 nan 0.000 0.416 27 Q N 3.452 123.314 119.800 0.103 0.000 2.279 27 Q HA 0.179 4.519 4.340 0.000 0.000 0.256 27 Q C -0.973 175.082 176.000 0.092 0.000 0.937 27 Q CA -0.167 55.697 55.803 0.102 0.000 0.933 27 Q CB 0.991 29.782 28.738 0.088 0.000 1.189 27 Q HN 0.482 nan 8.270 nan 0.000 0.417 28 Q N 4.575 124.431 119.800 0.093 0.000 2.607 28 Q HA 0.177 4.517 4.340 0.000 0.000 0.247 28 Q C -0.879 175.167 176.000 0.076 0.000 1.033 28 Q CA -0.600 55.247 55.803 0.073 0.000 0.769 28 Q CB 1.047 29.821 28.738 0.060 0.000 1.169 28 Q HN 0.835 nan 8.270 nan 0.000 0.508 29 D N 1.538 121.980 120.400 0.070 0.000 4.100 29 D HA -0.249 4.391 4.640 0.000 0.000 0.138 29 D C 0.602 176.962 176.300 0.100 0.000 0.819 29 D CA 2.099 56.141 54.000 0.069 0.000 1.117 29 D CB -0.770 40.064 40.800 0.057 0.000 0.537 29 D HN 0.721 nan 8.370 nan 0.000 0.539 30 N N 2.388 121.160 118.700 0.120 0.000 2.313 30 N HA 0.079 4.819 4.740 0.000 0.000 0.207 30 N C -0.476 175.219 175.510 0.309 0.000 1.141 30 N CA 0.437 53.596 53.050 0.182 0.000 0.830 30 N CB 0.196 38.776 38.487 0.154 0.000 1.008 30 N HN 0.451 nan 8.380 nan 0.000 0.481 31 E N 0.231 120.572 120.200 0.235 0.000 2.266 31 E HA 0.313 4.663 4.350 0.000 0.000 0.268 31 E C -1.159 175.553 176.600 0.187 0.000 0.879 31 E CA -0.626 55.897 56.400 0.205 0.000 0.762 31 E CB 2.500 32.256 29.700 0.094 0.000 1.199 31 E HN 0.083 nan 8.360 nan 0.000 0.422 32 M N 3.255 122.962 119.600 0.178 0.000 2.149 32 M HA 0.328 4.808 4.480 0.000 0.000 0.342 32 M C -1.524 174.881 176.300 0.176 0.000 1.068 32 M CA -0.750 54.666 55.300 0.194 0.000 0.991 32 M CB 1.025 33.769 32.600 0.240 0.000 1.596 32 M HN 0.249 nan 8.290 nan 0.000 0.439 33 V N 5.980 125.953 119.914 0.099 0.000 2.394 33 V HA 0.442 4.562 4.120 0.000 0.000 0.282 33 V C -0.458 175.621 176.094 -0.025 0.000 1.031 33 V CA -0.719 61.570 62.300 -0.017 0.000 0.881 33 V CB 1.538 33.282 31.823 -0.132 0.000 0.982 33 V HN 0.634 nan 8.190 nan 0.000 0.451 34 V N 5.523 125.433 119.914 -0.007 0.000 2.417 34 V HA 0.437 4.557 4.120 0.000 0.000 0.291 34 V C -0.911 175.153 176.094 -0.051 0.000 1.024 34 V CA -0.785 61.563 62.300 0.080 0.000 0.861 34 V CB 1.342 33.340 31.823 0.292 0.000 0.985 34 V HN 0.725 nan 8.190 nan 0.000 0.436 35 Y N 2.846 123.313 120.300 0.279 0.000 2.341 35 Y HA 0.694 5.244 4.550 0.000 0.000 0.340 35 Y C 0.481 176.592 175.900 0.352 0.000 0.997 35 Y CA -0.479 57.802 58.100 0.301 0.000 1.149 35 Y CB 1.601 40.257 38.460 0.328 0.000 1.171 35 Y HN 0.703 nan 8.280 nan 0.000 0.494 36 A N 2.477 125.552 122.820 0.425 0.000 2.353 36 A HA 0.845 5.165 4.320 0.000 0.000 0.299 36 A C -0.692 177.042 177.584 0.250 0.000 1.089 36 A CA -0.626 51.604 52.037 0.322 0.000 0.736 36 A CB 0.419 19.522 19.000 0.172 0.000 1.195 36 A HN 0.806 nan 8.150 nan 0.000 0.447 37 A N 3.537 126.469 122.820 0.187 0.000 2.302 37 A HA 0.808 5.128 4.320 0.000 0.000 0.285 37 A C -1.916 175.713 177.584 0.075 0.000 1.105 37 A CA -1.624 50.486 52.037 0.122 0.000 0.816 37 A CB 0.431 19.477 19.000 0.077 0.000 1.067 37 A HN 0.523 nan 8.150 nan 0.000 0.489 38 P HA 0.122 nan 4.420 nan 0.000 0.257 38 P C -0.122 177.184 177.300 0.009 0.000 1.281 38 P CA 0.344 63.483 63.100 0.065 0.000 0.826 38 P CB 0.000 31.772 31.700 0.120 0.000 1.237 39 R N -2.132 118.363 120.500 -0.009 0.000 2.781 39 R HA 0.495 4.835 4.340 0.000 0.000 0.268 39 R C -1.362 174.894 176.300 -0.073 0.000 1.047 39 R CA -0.834 55.229 56.100 -0.061 0.000 0.925 39 R CB -0.215 30.037 30.300 -0.080 0.000 1.246 39 R HN -0.371 nan 8.270 nan 0.000 0.456 40 D N 1.009 121.314 120.400 -0.160 0.000 2.401 40 D HA 0.140 4.780 4.640 0.000 0.000 0.254 40 D C 0.392 176.627 176.300 -0.109 0.000 1.192 40 D CA -0.069 53.842 54.000 -0.148 0.000 0.885 40 D CB 1.513 42.168 40.800 -0.243 0.000 1.147 40 D HN 0.481 nan 8.370 nan 0.000 0.478 41 V N 1.569 121.509 119.914 0.044 0.000 2.991 41 V HA 0.329 4.449 4.120 0.000 0.000 0.355 41 V C 1.612 177.844 176.094 0.230 0.000 1.384 41 V CA -0.460 61.934 62.300 0.156 0.000 1.171 41 V CB -0.064 31.825 31.823 0.110 0.000 1.190 41 V HN 0.357 nan 8.190 nan 0.000 0.540 42 R N 1.212 121.811 120.500 0.165 0.000 2.081 42 R HA 0.061 4.401 4.340 0.000 0.000 0.235 42 R C 0.554 176.965 176.300 0.185 0.000 1.131 42 R CA 1.344 57.539 56.100 0.159 0.000 0.960 42 R CB 0.104 30.457 30.300 0.088 0.000 0.856 42 R HN 0.686 nan 8.270 nan 0.000 0.436 43 E N 0.411 120.753 120.200 0.238 0.000 2.301 43 E HA 0.115 4.465 4.350 0.000 0.000 0.275 43 E C 0.531 177.272 176.600 0.236 0.000 1.030 43 E CA -0.385 56.165 56.400 0.249 0.000 0.852 43 E CB 1.113 31.012 29.700 0.332 0.000 1.060 43 E HN 0.133 nan 8.360 nan 0.000 0.401 44 R N 0.769 121.350 120.500 0.136 0.000 2.148 44 R HA -0.115 4.225 4.340 0.000 0.000 0.227 44 R C 2.245 178.550 176.300 0.007 0.000 1.103 44 R CA 1.442 57.592 56.100 0.084 0.000 0.983 44 R CB -0.419 29.915 30.300 0.057 0.000 0.874 44 R HN 0.587 nan 8.270 nan 0.000 0.451 45 T N -1.131 113.382 114.554 -0.068 0.000 2.897 45 T HA -0.158 4.192 4.350 0.000 0.000 0.271 45 T C 0.985 175.433 174.700 -0.421 0.000 1.084 45 T CA 0.983 62.914 62.100 -0.282 0.000 1.123 45 T CB -0.118 68.510 68.868 -0.399 0.000 0.865 45 T HN 0.488 nan 8.240 nan 0.000 0.496 46 W N 0.724 122.023 121.300 -0.001 0.000 3.127 46 W HA 0.427 5.087 4.660 0.000 0.000 0.344 46 W C 1.537 178.032 176.519 -0.039 0.000 1.151 46 W CA -0.746 56.592 57.345 -0.012 0.000 1.765 46 W CB 0.369 29.830 29.460 0.001 0.000 1.085 46 W HN 0.209 nan 8.180 nan 0.000 0.596 47 Q N 1.707 121.570 119.800 0.104 0.000 2.294 47 Q HA 0.235 4.575 4.340 0.000 0.000 0.256 47 Q C -0.333 175.635 176.000 -0.053 0.000 0.907 47 Q CA 0.189 55.983 55.803 -0.015 0.000 0.954 47 Q CB -0.456 28.273 28.738 -0.014 0.000 1.102 47 Q HN 0.315 nan 8.270 nan 0.000 0.429 48 L N -5.901 115.311 121.223 -0.019 0.000 2.940 48 L HA 0.511 4.851 4.340 0.000 0.000 0.270 48 L C -1.128 175.741 176.870 -0.000 0.000 1.030 48 L CA -1.183 53.638 54.840 -0.032 0.000 0.928 48 L CB 1.202 43.233 42.059 -0.046 0.000 1.506 48 L HN -0.202 nan 8.230 nan 0.000 0.405 49 D N -0.119 120.279 120.400 -0.004 0.000 2.689 49 D HA -0.152 4.488 4.640 0.000 0.000 0.237 49 D C -0.227 176.100 176.300 0.046 0.000 1.148 49 D CA 1.768 55.780 54.000 0.020 0.000 0.656 49 D CB -0.810 40.002 40.800 0.019 0.000 1.050 49 D HN 0.971 nan 8.370 nan 0.000 0.426 50 T N -1.066 113.505 114.554 0.027 0.000 2.956 50 T HA 0.532 4.882 4.350 0.000 0.000 0.312 50 T C -2.540 172.159 174.700 -0.001 0.000 1.151 50 T CA -1.344 60.771 62.100 0.025 0.000 1.024 50 T CB 1.727 70.616 68.868 0.034 0.000 1.140 50 T HN -0.246 nan 8.240 nan 0.000 0.473 51 P HA 0.515 nan 4.420 nan 0.000 0.273 51 P C -1.220 176.023 177.300 -0.096 0.000 1.250 51 P CA -0.728 62.332 63.100 -0.066 0.000 0.793 51 P CB 0.476 32.070 31.700 -0.176 0.000 1.011 52 L N 0.932 122.073 121.223 -0.137 0.000 2.464 52 L HA 0.425 4.765 4.340 0.000 0.000 0.266 52 L C -1.148 175.650 176.870 -0.121 0.000 0.965 52 L CA -0.716 54.094 54.840 -0.050 0.000 0.833 52 L CB 1.290 43.361 42.059 0.021 0.000 1.296 52 L HN 0.285 nan 8.230 nan 0.000 0.405 53 F N 1.259 121.251 119.950 0.070 0.000 2.379 53 F HA 0.415 4.942 4.527 0.000 0.000 0.332 53 F C 0.679 176.537 175.800 0.097 0.000 1.096 53 F CA -0.188 57.849 58.000 0.061 0.000 1.105 53 F CB 1.908 40.909 39.000 0.001 0.000 1.189 53 F HN 0.262 nan 8.300 nan 0.000 0.515 54 T N 4.558 119.259 114.554 0.245 0.000 2.809 54 T HA 0.572 4.922 4.350 0.000 0.000 0.296 54 T C -0.732 173.977 174.700 0.015 0.000 1.015 54 T CA -0.511 61.624 62.100 0.058 0.000 0.954 54 T CB 0.450 69.343 68.868 0.041 0.000 0.950 54 T HN 0.151 nan 8.240 nan 0.000 0.450 55 L N 3.255 124.452 121.223 -0.043 0.000 2.322 55 L HA 0.627 4.967 4.340 0.000 0.000 0.281 55 L C 0.280 177.014 176.870 -0.228 0.000 1.014 55 L CA -0.565 54.197 54.840 -0.129 0.000 0.815 55 L CB 1.454 43.502 42.059 -0.018 0.000 1.247 55 L HN 0.439 nan 8.230 nan 0.000 0.421 56 R N 2.685 122.971 120.500 -0.356 0.000 2.437 56 R HA 0.637 4.977 4.340 0.000 0.000 0.310 56 R C -1.627 174.431 176.300 -0.404 0.000 0.955 56 R CA -0.446 55.505 56.100 -0.249 0.000 0.851 56 R CB 0.889 31.090 30.300 -0.166 0.000 1.161 56 R HN 0.394 nan 8.270 nan 0.000 0.446 57 F N 5.951 125.807 119.950 -0.156 0.000 2.458 57 F HA 0.548 5.075 4.527 0.000 0.000 0.336 57 F C -0.315 175.044 175.800 -0.735 0.000 1.114 57 F CA -0.556 57.158 58.000 -0.477 0.000 0.987 57 F CB 1.355 39.979 39.000 -0.626 0.000 1.130 57 F HN 0.451 nan 8.300 nan 0.000 0.458 58 F N -0.366 119.125 119.950 -0.765 0.000 2.741 58 F HA 0.717 5.245 4.527 0.000 0.000 0.313 58 F C -1.140 174.641 175.800 -0.032 0.000 1.153 58 F CA -1.491 56.260 58.000 -0.416 0.000 0.931 58 F CB 1.506 40.426 39.000 -0.133 0.000 1.335 58 F HN 0.227 nan 8.300 nan 0.000 0.460 59 S N 1.633 117.517 115.700 0.306 0.000 2.756 59 S HA 0.537 5.007 4.470 0.000 0.000 0.303 59 S C -2.180 172.514 174.600 0.158 0.000 1.135 59 S CA -1.359 56.964 58.200 0.205 0.000 1.066 59 S CB 1.505 64.886 63.200 0.302 0.000 1.008 59 S HN 0.596 nan 8.310 nan 0.000 0.482 60 P HA 0.131 nan 4.420 nan 0.000 0.226 60 P C -0.416 176.812 177.300 -0.120 0.000 1.161 60 P CA 0.622 63.707 63.100 -0.025 0.000 0.804 60 P CB 0.329 31.919 31.700 -0.184 0.000 0.829 61 Q N -0.745 118.932 119.800 -0.205 0.000 2.482 61 Q HA 0.188 4.528 4.340 0.000 0.000 0.286 61 Q C -0.464 175.466 176.000 -0.115 0.000 1.007 61 Q CA -0.710 54.996 55.803 -0.161 0.000 0.801 61 Q CB 1.684 30.277 28.738 -0.241 0.000 1.455 61 Q HN 0.017 nan 8.270 nan 0.000 0.398 62 E N 0.226 120.381 120.200 -0.074 0.000 2.529 62 E HA 0.065 4.415 4.350 0.000 0.000 0.259 62 E C 0.592 177.155 176.600 -0.061 0.000 0.966 62 E CA 1.725 58.091 56.400 -0.056 0.000 0.937 62 E CB 0.231 29.903 29.700 -0.047 0.000 0.923 62 E HN 0.811 nan 8.360 nan 0.000 0.468 63 G N 4.160 112.934 108.800 -0.042 0.000 2.179 63 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 63 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 63 G C 0.321 175.207 174.900 -0.023 0.000 0.977 63 G CA 0.382 45.467 45.100 -0.026 0.000 0.641 63 G HN 0.520 nan 8.290 nan 0.000 0.533 64 I N 0.796 121.332 120.570 -0.057 0.000 2.418 64 I HA 0.482 4.652 4.170 0.000 0.000 0.287 64 I C -0.142 175.978 176.117 0.005 0.000 1.008 64 I CA -1.128 60.129 61.300 -0.071 0.000 1.104 64 I CB 2.168 39.985 38.000 -0.305 0.000 1.264 64 I HN -0.140 nan 8.210 nan 0.000 0.438 65 V N 5.261 125.216 119.914 0.069 0.000 2.347 65 V HA 0.471 4.591 4.120 0.000 0.000 0.280 65 V C 0.696 176.722 176.094 -0.113 0.000 1.021 65 V CA -0.517 61.836 62.300 0.089 0.000 0.847 65 V CB 1.458 33.447 31.823 0.276 0.000 0.990 65 V HN 0.892 nan 8.190 nan 0.000 0.444 66 G N 3.636 112.131 108.800 -0.509 0.000 2.415 66 G HA2 0.531 4.491 3.960 0.000 0.000 0.269 66 G HA3 0.531 4.491 3.960 0.000 0.000 0.269 66 G C -0.808 173.501 174.900 -0.986 0.000 1.209 66 G CA -0.253 44.128 45.100 -1.199 0.000 0.835 66 G HN 0.582 nan 8.290 nan 0.000 0.534 67 V N 2.864 122.234 119.914 -0.907 0.000 2.447 67 V HA 0.425 4.546 4.120 0.000 0.000 0.292 67 V C 0.080 175.827 176.094 -0.578 0.000 1.021 67 V CA -0.843 60.965 62.300 -0.821 0.000 0.850 67 V CB 1.376 32.635 31.823 -0.939 0.000 1.005 67 V HN 0.817 nan 8.190 nan 0.000 0.426 68 R N 4.861 125.157 120.500 -0.339 0.000 2.265 68 R HA 0.670 5.011 4.340 0.000 0.000 0.328 68 R C -0.981 175.261 176.300 -0.096 0.000 0.969 68 R CA -0.523 55.518 56.100 -0.099 0.000 0.832 68 R CB 1.349 31.625 30.300 -0.040 0.000 1.139 68 R HN 0.820 nan 8.270 nan 0.000 0.457 69 I N 3.042 123.645 120.570 0.056 0.000 2.362 69 I HA 0.366 4.536 4.170 0.000 0.000 0.289 69 I C -1.018 175.251 176.117 0.254 0.000 0.994 69 I CA -0.338 61.032 61.300 0.117 0.000 1.158 69 I CB 1.350 39.399 38.000 0.081 0.000 1.315 69 I HN 0.653 nan 8.210 nan 0.000 0.451 70 E N 6.252 126.601 120.200 0.249 0.000 2.199 70 E HA 0.257 4.607 4.350 0.000 0.000 0.269 70 E C -0.630 176.092 176.600 0.204 0.000 0.899 70 E CA -0.594 55.951 56.400 0.242 0.000 0.772 70 E CB 2.203 31.981 29.700 0.131 0.000 1.155 70 E HN 0.698 nan 8.360 nan 0.000 0.408 71 H N 3.156 122.201 119.070 -0.042 0.000 2.560 71 H HA 0.201 4.757 4.556 0.000 0.000 0.324 71 H C -0.254 174.982 175.328 -0.153 0.000 1.329 71 H CA 0.061 55.866 56.048 -0.404 0.000 2.007 71 H CB 0.303 29.503 29.762 -0.938 0.000 1.551 71 H HN 0.309 nan 8.280 nan 0.000 0.623 72 F N 2.119 121.763 119.950 -0.510 0.000 2.420 72 F HA 0.195 4.722 4.527 0.000 0.000 0.352 72 F C 1.402 177.126 175.800 -0.126 0.000 1.108 72 F CA -0.301 57.476 58.000 -0.372 0.000 1.162 72 F CB 1.387 40.183 39.000 -0.340 0.000 1.118 72 F HN 0.421 nan 8.300 nan 0.000 0.510 73 Q N 1.866 121.719 119.800 0.089 0.000 2.425 73 Q HA 0.063 4.403 4.340 0.000 0.000 0.204 73 Q C 1.917 177.930 176.000 0.022 0.000 0.933 73 Q CA 0.554 56.380 55.803 0.038 0.000 0.939 73 Q CB 0.214 28.951 28.738 -0.002 0.000 1.044 73 Q HN 1.003 nan 8.270 nan 0.000 0.513 74 G N 0.506 109.309 108.800 0.006 0.000 2.920 74 G HA2 0.213 4.173 3.960 0.000 0.000 0.208 74 G HA3 0.213 4.173 3.960 0.000 0.000 0.208 74 G C 0.453 175.368 174.900 0.024 0.000 1.159 74 G CA 0.280 45.365 45.100 -0.024 0.000 0.784 74 G HN 0.317 nan 8.290 nan 0.000 0.535 75 A N -0.281 122.588 122.820 0.083 0.000 2.406 75 A HA 0.515 4.835 4.320 0.000 0.000 0.243 75 A C 1.509 179.146 177.584 0.089 0.000 1.082 75 A CA -0.408 51.694 52.037 0.108 0.000 0.786 75 A CB 0.463 19.564 19.000 0.167 0.000 1.029 75 A HN 0.180 nan 8.150 nan 0.000 0.495 76 L N 0.569 121.845 121.223 0.088 0.000 2.017 76 L HA -0.176 4.164 4.340 0.000 0.000 0.208 76 L C 0.728 177.659 176.870 0.102 0.000 1.073 76 L CA 1.597 56.484 54.840 0.079 0.000 0.745 76 L CB -0.716 41.386 42.059 0.073 0.000 0.894 76 L HN 0.927 nan 8.230 nan 0.000 0.432 77 N N 0.682 119.469 118.700 0.145 0.000 2.705 77 N HA -0.176 4.564 4.740 0.000 0.000 0.255 77 N C -0.644 174.977 175.510 0.185 0.000 1.008 77 N CA -0.228 52.943 53.050 0.202 0.000 0.742 77 N CB -1.166 37.445 38.487 0.207 0.000 0.906 77 N HN 0.385 nan 8.380 nan 0.000 0.541 78 N N 0.425 119.198 118.700 0.121 0.000 2.444 78 N HA 0.177 4.917 4.740 0.000 0.000 0.255 78 N C 1.212 176.673 175.510 -0.081 0.000 1.255 78 N CA 0.492 53.577 53.050 0.057 0.000 0.933 78 N CB 0.527 39.035 38.487 0.036 0.000 1.143 78 N HN 0.364 nan 8.380 nan 0.000 0.453 79 G N 0.633 109.282 108.800 -0.252 0.000 2.525 79 G HA2 0.205 4.165 3.960 0.000 0.000 0.276 79 G HA3 0.205 4.165 3.960 0.000 0.000 0.276 79 G C -2.285 172.391 174.900 -0.374 0.000 1.388 79 G CA -0.524 44.176 45.100 -0.667 0.000 1.050 79 G HN 0.360 nan 8.290 nan 0.000 0.520 80 P HA 0.165 nan 4.420 nan 0.000 0.272 80 P C -0.835 175.998 177.300 -0.778 0.000 1.240 80 P CA 0.033 62.815 63.100 -0.531 0.000 0.791 80 P CB 0.795 32.209 31.700 -0.476 0.000 0.978 81 H N -0.601 118.272 119.070 -0.327 0.000 2.621 81 H HA 0.303 4.859 4.556 0.000 0.000 0.360 81 H C 0.092 175.198 175.328 -0.370 0.000 1.163 81 H CA -0.309 55.556 56.048 -0.305 0.000 1.194 81 H CB 0.298 29.977 29.762 -0.139 0.000 1.649 81 H HN 0.339 nan 8.280 nan 0.000 0.532 82 Y N 1.769 121.983 120.300 -0.143 0.000 2.550 82 Y HA 0.043 4.593 4.550 0.000 0.000 0.343 82 Y C -1.372 174.381 175.900 -0.245 0.000 1.245 82 Y CA -1.923 56.038 58.100 -0.232 0.000 1.462 82 Y CB -0.013 38.346 38.460 -0.169 0.000 1.340 82 Y HN 0.371 nan 8.280 nan 0.000 0.604 83 P HA 0.107 nan 4.420 nan 0.000 0.218 83 P C -0.919 176.235 177.300 -0.244 0.000 1.793 83 P CA -0.077 62.908 63.100 -0.191 0.000 0.941 83 P CB -0.254 31.273 31.700 -0.290 0.000 1.919 84 L N 1.904 122.975 121.223 -0.254 0.000 2.380 84 L HA 0.195 4.535 4.340 0.000 0.000 0.273 84 L C 0.920 177.682 176.870 -0.181 0.000 1.138 84 L CA 0.341 54.932 54.840 -0.415 0.000 0.832 84 L CB -0.209 41.600 42.059 -0.415 0.000 1.124 84 L HN 0.080 nan 8.230 nan 0.000 0.454 85 N N 5.102 123.722 118.700 -0.133 0.000 2.415 85 N HA 0.282 5.022 4.740 0.000 0.000 0.246 85 N C -0.552 175.050 175.510 0.153 0.000 1.078 85 N CA 0.047 53.110 53.050 0.022 0.000 0.942 85 N CB 0.910 39.399 38.487 0.003 0.000 1.140 85 N HN 0.438 nan 8.380 nan 0.000 0.501 86 I N 3.627 124.264 120.570 0.113 0.000 2.354 86 I HA 0.263 4.433 4.170 0.000 0.000 0.286 86 I C 0.171 176.339 176.117 0.086 0.000 1.007 86 I CA -0.616 60.768 61.300 0.141 0.000 1.167 86 I CB 1.150 39.245 38.000 0.160 0.000 1.320 86 I HN 0.150 nan 8.210 nan 0.000 0.458 87 L N 6.013 127.277 121.223 0.068 0.000 2.375 87 L HA 0.274 4.614 4.340 0.000 0.000 0.271 87 L C 1.057 177.970 176.870 0.071 0.000 1.107 87 L CA -0.453 54.418 54.840 0.052 0.000 0.806 87 L CB 0.801 42.877 42.059 0.029 0.000 1.146 87 L HN 0.580 nan 8.230 nan 0.000 0.447 88 Q N 1.103 120.938 119.800 0.058 0.000 2.319 88 Q HA 0.028 4.368 4.340 0.000 0.000 0.209 88 Q C -0.113 175.925 176.000 0.062 0.000 0.884 88 Q CA 0.302 56.143 55.803 0.064 0.000 0.938 88 Q CB 0.519 29.284 28.738 0.045 0.000 1.098 88 Q HN 0.745 nan 8.270 nan 0.000 0.517 89 D N -0.698 119.732 120.400 0.049 0.000 2.696 89 D HA 0.094 4.734 4.640 0.000 0.000 0.269 89 D C 0.021 176.340 176.300 0.032 0.000 1.319 89 D CA -0.450 53.573 54.000 0.039 0.000 0.826 89 D CB -0.004 40.811 40.800 0.025 0.000 1.086 89 D HN -0.261 nan 8.370 nan 0.000 0.481 90 V N 1.078 121.018 119.914 0.045 0.000 2.637 90 V HA 0.009 4.129 4.120 0.000 0.000 0.296 90 V C 0.926 177.030 176.094 0.018 0.000 1.046 90 V CA -0.508 61.808 62.300 0.027 0.000 1.066 90 V CB 0.933 32.779 31.823 0.038 0.000 0.968 90 V HN 0.203 nan 8.190 nan 0.000 0.483 91 K N 4.985 125.379 120.400 -0.011 0.000 2.402 91 K HA 0.345 4.665 4.320 0.000 0.000 0.285 91 K C -0.501 176.056 176.600 -0.072 0.000 1.054 91 K CA -0.209 56.058 56.287 -0.032 0.000 1.001 91 K CB 0.446 32.923 32.500 -0.037 0.000 0.946 91 K HN 0.647 nan 8.250 nan 0.000 0.473 92 V N 0.318 120.175 119.914 -0.095 0.000 3.141 92 V HA 0.629 4.749 4.120 0.000 0.000 0.312 92 V C -0.668 175.294 176.094 -0.220 0.000 1.157 92 V CA -0.790 61.371 62.300 -0.231 0.000 1.041 92 V CB 1.985 33.617 31.823 -0.317 0.000 1.071 92 V HN 0.665 nan 8.190 nan 0.000 0.441 93 T N 2.440 116.798 114.554 -0.327 0.000 2.848 93 T HA 0.734 5.084 4.350 0.000 0.000 0.285 93 T C -0.882 173.662 174.700 -0.259 0.000 0.995 93 T CA -0.257 61.709 62.100 -0.222 0.000 0.970 93 T CB 0.792 69.550 68.868 -0.183 0.000 0.976 93 T HN 0.671 nan 8.240 nan 0.000 0.441 94 I N 3.500 123.998 120.570 -0.121 0.000 2.436 94 I HA 0.460 4.630 4.170 0.000 0.000 0.289 94 I C -0.150 175.949 176.117 -0.030 0.000 1.010 94 I CA -0.722 60.551 61.300 -0.045 0.000 1.098 94 I CB 2.005 40.046 38.000 0.069 0.000 1.266 94 I HN 0.532 nan 8.210 nan 0.000 0.434 95 E N 5.720 125.900 120.200 -0.034 0.000 2.224 95 E HA 0.339 4.689 4.350 0.000 0.000 0.265 95 E C -1.326 175.271 176.600 -0.005 0.000 0.878 95 E CA -0.691 55.695 56.400 -0.023 0.000 0.759 95 E CB 1.615 31.291 29.700 -0.040 0.000 1.164 95 E HN 0.512 nan 8.360 nan 0.000 0.414 96 N N 3.271 121.976 118.700 0.008 0.000 2.524 96 N HA 0.237 4.977 4.740 0.000 0.000 0.261 96 N C -1.270 174.247 175.510 0.012 0.000 0.998 96 N CA -0.229 52.830 53.050 0.015 0.000 0.915 96 N CB 1.475 39.976 38.487 0.023 0.000 1.187 96 N HN 0.558 nan 8.380 nan 0.000 0.507 97 T N -0.352 114.212 114.554 0.017 0.000 2.905 97 T HA 0.365 4.715 4.350 0.000 0.000 0.283 97 T C 1.040 175.727 174.700 -0.021 0.000 1.031 97 T CA -0.472 61.630 62.100 0.004 0.000 1.002 97 T CB 1.357 70.237 68.868 0.019 0.000 1.200 97 T HN 0.316 nan 8.240 nan 0.000 0.560 98 E N -0.208 119.969 120.200 -0.038 0.000 2.118 98 E HA -0.105 4.245 4.350 0.000 0.000 0.195 98 E C 2.228 178.768 176.600 -0.101 0.000 0.992 98 E CA 1.255 57.621 56.400 -0.056 0.000 0.804 98 E CB 0.029 29.698 29.700 -0.052 0.000 0.741 98 E HN 0.591 nan 8.360 nan 0.000 0.458 99 R N -1.820 118.582 120.500 -0.164 0.000 2.156 99 R HA 0.129 4.470 4.340 0.000 0.000 0.207 99 R C -0.240 175.749 176.300 -0.518 0.000 1.040 99 R CA 0.482 56.358 56.100 -0.374 0.000 1.013 99 R CB 0.457 30.460 30.300 -0.495 0.000 0.931 99 R HN 0.124 nan 8.270 nan 0.000 0.465 100 Y N -1.672 118.586 120.300 -0.070 0.000 2.597 100 Y HA 0.534 5.084 4.550 0.000 0.000 0.340 100 Y C -0.911 174.925 175.900 -0.106 0.000 1.097 100 Y CA -1.367 56.667 58.100 -0.110 0.000 1.037 100 Y CB 2.132 40.519 38.460 -0.121 0.000 1.305 100 Y HN -0.098 nan 8.280 nan 0.000 0.463 101 A N 1.728 124.581 122.820 0.055 0.000 2.343 101 A HA 0.713 5.033 4.320 0.000 0.000 0.316 101 A C -1.286 176.216 177.584 -0.135 0.000 1.104 101 A CA -0.577 51.439 52.037 -0.034 0.000 0.768 101 A CB 1.516 20.485 19.000 -0.052 0.000 1.213 101 A HN 0.732 nan 8.150 nan 0.000 0.456 102 E N 1.736 121.858 120.200 -0.129 0.000 2.263 102 E HA 0.523 4.873 4.350 0.000 0.000 0.268 102 E C -2.079 174.449 176.600 -0.120 0.000 0.884 102 E CA -0.451 55.834 56.400 -0.191 0.000 0.766 102 E CB 1.433 31.013 29.700 -0.201 0.000 1.196 102 E HN 0.559 nan 8.360 nan 0.000 0.416 103 F N 4.327 124.104 119.950 -0.288 0.000 2.426 103 F HA 0.496 5.023 4.527 0.000 0.000 0.348 103 F C -0.948 174.778 175.800 -0.124 0.000 1.124 103 F CA -0.543 57.350 58.000 -0.178 0.000 1.008 103 F CB 1.017 39.908 39.000 -0.180 0.000 1.139 103 F HN 0.275 nan 8.300 nan 0.000 0.452 104 K N 4.264 124.233 120.400 -0.719 0.000 2.397 104 K HA 0.558 4.878 4.320 0.000 0.000 0.253 104 K C -1.525 174.776 176.600 -0.498 0.000 0.932 104 K CA -0.656 55.364 56.287 -0.445 0.000 0.795 104 K CB 1.793 34.130 32.500 -0.271 0.000 1.159 104 K HN 0.578 nan 8.250 nan 0.000 0.424 105 S N 2.972 118.521 115.700 -0.251 0.000 2.707 105 S HA 0.609 5.079 4.470 0.000 0.000 0.303 105 S C 0.194 174.745 174.600 -0.082 0.000 1.132 105 S CA 0.460 58.569 58.200 -0.152 0.000 1.046 105 S CB 0.760 63.938 63.200 -0.036 0.000 1.004 105 S HN 1.057 nan 8.310 nan 0.000 0.483 106 G N 5.421 114.172 108.800 -0.082 0.000 2.591 106 G HA2 -0.342 3.618 3.960 0.000 0.000 0.298 106 G HA3 -0.342 3.618 3.960 0.000 0.000 0.298 106 G C 0.452 175.317 174.900 -0.059 0.000 1.195 106 G CA 0.712 45.776 45.100 -0.060 0.000 0.989 106 G HN 0.773 nan 8.290 nan 0.000 0.551 107 N N 0.043 118.718 118.700 -0.041 0.000 2.336 107 N HA 0.356 5.096 4.740 0.000 0.000 0.189 107 N C 0.281 175.772 175.510 -0.032 0.000 1.113 107 N CA -0.078 52.949 53.050 -0.038 0.000 0.858 107 N CB 0.455 38.927 38.487 -0.025 0.000 0.970 107 N HN 0.405 nan 8.380 nan 0.000 0.471 108 L N 1.087 122.297 121.223 -0.021 0.000 2.307 108 L HA 0.475 4.815 4.340 0.000 0.000 0.284 108 L C -0.331 176.545 176.870 0.010 0.000 1.023 108 L CA -0.513 54.334 54.840 0.012 0.000 0.810 108 L CB 1.328 43.414 42.059 0.045 0.000 1.231 108 L HN -0.058 nan 8.230 nan 0.000 0.423 109 S N 3.696 119.407 115.700 0.018 0.000 2.569 109 S HA 0.954 5.424 4.470 0.000 0.000 0.280 109 S C -0.847 173.750 174.600 -0.005 0.000 1.111 109 S CA -0.394 57.799 58.200 -0.012 0.000 0.887 109 S CB 1.674 64.803 63.200 -0.117 0.000 1.095 109 S HN 1.043 nan 8.310 nan 0.000 0.476 110 A N 1.970 124.753 122.820 -0.060 0.000 2.288 110 A HA 0.802 5.122 4.320 0.000 0.000 0.320 110 A C -0.128 177.171 177.584 -0.474 0.000 1.217 110 A CA -0.792 51.029 52.037 -0.360 0.000 0.840 110 A CB 0.778 19.606 19.000 -0.286 0.000 1.179 110 A HN 0.866 nan 8.150 nan 0.000 0.504 111 R N 2.506 122.692 120.500 -0.524 0.000 2.534 111 R HA 0.621 4.961 4.340 0.000 0.000 0.301 111 R C -1.835 174.187 176.300 -0.463 0.000 0.961 111 R CA -0.366 55.452 56.100 -0.471 0.000 0.871 111 R CB 1.750 31.748 30.300 -0.502 0.000 1.170 111 R HN 0.482 nan 8.270 nan 0.000 0.446 112 V N 3.175 122.853 119.914 -0.393 0.000 2.417 112 V HA 0.303 4.423 4.120 0.000 0.000 0.291 112 V C -0.239 175.728 176.094 -0.212 0.000 1.024 112 V CA -0.691 61.344 62.300 -0.441 0.000 0.861 112 V CB 1.841 33.382 31.823 -0.471 0.000 0.985 112 V HN 0.806 nan 8.190 nan 0.000 0.436 113 S N 5.062 120.616 115.700 -0.243 0.000 2.499 113 S HA 0.397 4.867 4.470 0.000 0.000 0.275 113 S C 0.045 174.575 174.600 -0.116 0.000 1.257 113 S CA -0.728 57.435 58.200 -0.061 0.000 1.050 113 S CB 0.616 63.807 63.200 -0.015 0.000 0.937 113 S HN 0.638 nan 8.310 nan 0.000 0.490 114 K N 1.541 121.887 120.400 -0.089 0.000 2.102 114 K HA 0.624 4.944 4.320 0.000 0.000 0.244 114 K C 1.066 177.664 176.600 -0.003 0.000 1.021 114 K CA -0.171 56.102 56.287 -0.023 0.000 0.913 114 K CB 0.375 32.850 32.500 -0.042 0.000 1.062 114 K HN 0.838 nan 8.250 nan 0.000 0.485 115 G N 0.873 109.690 108.800 0.028 0.000 2.553 115 G HA2 -0.345 3.615 3.960 0.000 0.000 0.242 115 G HA3 -0.345 3.615 3.960 0.000 0.000 0.242 115 G C 0.684 175.574 174.900 -0.016 0.000 1.277 115 G CA 0.444 45.548 45.100 0.006 0.000 0.910 115 G HN 0.773 nan 8.290 nan 0.000 0.576 116 E N -0.664 119.448 120.200 -0.147 0.000 2.150 116 E HA 0.037 4.387 4.350 0.000 0.000 0.193 116 E C 0.425 176.732 176.600 -0.487 0.000 0.985 116 E CA 0.724 56.872 56.400 -0.420 0.000 0.814 116 E CB -0.045 29.213 29.700 -0.737 0.000 0.752 116 E HN 0.308 nan 8.360 nan 0.000 0.466 117 F N 1.214 121.203 119.950 0.065 0.000 2.300 117 F HA 0.191 4.718 4.527 0.000 0.000 0.364 117 F C 0.034 175.902 175.800 0.114 0.000 1.090 117 F CA -0.956 57.092 58.000 0.079 0.000 1.200 117 F CB 0.178 39.198 39.000 0.032 0.000 1.493 117 F HN 0.076 nan 8.300 nan 0.000 0.518 118 W N 3.268 124.622 121.300 0.090 0.000 2.223 118 W HA 0.350 5.010 4.660 0.000 0.000 0.334 118 W C -0.582 175.981 176.519 0.073 0.000 1.334 118 W CA 0.552 57.935 57.345 0.064 0.000 1.246 118 W CB 1.220 30.697 29.460 0.028 0.000 1.184 118 W HN 0.415 nan 8.180 nan 0.000 0.563 119 S N 6.304 121.683 115.700 -0.535 0.000 2.537 119 S HA 0.537 5.007 4.470 0.000 0.000 0.271 119 S C -1.742 172.446 174.600 -0.686 0.000 1.148 119 S CA -0.872 57.097 58.200 -0.385 0.000 0.868 119 S CB 1.178 64.291 63.200 -0.145 0.000 1.115 119 S HN 0.521 nan 8.310 nan 0.000 0.461 120 L N 3.680 124.675 121.223 -0.381 0.000 2.343 120 L HA 0.618 4.958 4.340 0.000 0.000 0.278 120 L C -1.599 175.053 176.870 -0.362 0.000 0.996 120 L CA -0.386 54.231 54.840 -0.370 0.000 0.831 120 L CB 1.231 43.225 42.059 -0.108 0.000 1.232 120 L HN 0.687 nan 8.230 nan 0.000 0.413 121 D N 4.814 124.905 120.400 -0.517 0.000 2.498 121 D HA 0.378 5.018 4.640 0.000 0.000 0.247 121 D C -1.073 174.819 176.300 -0.680 0.000 1.070 121 D CA -0.034 53.705 54.000 -0.434 0.000 0.842 121 D CB 2.186 42.815 40.800 -0.285 0.000 1.361 121 D HN 0.184 nan 8.370 nan 0.000 0.484 122 F N 1.787 121.686 119.950 -0.085 0.000 2.404 122 F HA 0.319 4.846 4.527 0.000 0.000 0.354 122 F C 0.016 175.740 175.800 -0.127 0.000 1.122 122 F CA -0.794 57.147 58.000 -0.098 0.000 1.080 122 F CB 0.972 39.913 39.000 -0.098 0.000 1.131 122 F HN -0.043 nan 8.300 nan 0.000 0.471 123 L N 3.542 124.760 121.223 -0.009 0.000 2.329 123 L HA 0.535 4.875 4.340 0.000 0.000 0.279 123 L C -0.171 176.684 176.870 -0.025 0.000 1.014 123 L CA -0.823 53.986 54.840 -0.053 0.000 0.814 123 L CB 1.769 43.757 42.059 -0.119 0.000 1.257 123 L HN 0.629 nan 8.230 nan 0.000 0.424 124 R N 2.595 123.080 120.500 -0.024 0.000 2.288 124 R HA 0.326 4.666 4.340 0.000 0.000 0.326 124 R C -0.152 176.131 176.300 -0.029 0.000 0.959 124 R CA -0.265 55.825 56.100 -0.016 0.000 0.834 124 R CB 0.158 30.460 30.300 0.004 0.000 1.157 124 R HN 0.747 nan 8.270 nan 0.000 0.470 125 N N 3.438 122.115 118.700 -0.039 0.000 2.714 125 N HA -0.247 4.493 4.740 0.000 0.000 0.252 125 N C 0.555 176.033 175.510 -0.054 0.000 1.014 125 N CA 0.853 53.876 53.050 -0.046 0.000 0.735 125 N CB -0.659 37.808 38.487 -0.033 0.000 0.924 125 N HN 1.078 nan 8.380 nan 0.000 0.540 126 G N -1.132 107.624 108.800 -0.073 0.000 2.212 126 G HA2 -0.352 3.608 3.960 0.000 0.000 0.266 126 G HA3 -0.352 3.608 3.960 0.000 0.000 0.266 126 G C -0.216 174.635 174.900 -0.082 0.000 0.978 126 G CA 0.613 45.658 45.100 -0.092 0.000 0.632 126 G HN 0.553 nan 8.290 nan 0.000 0.537 127 E N 0.507 120.673 120.200 -0.058 0.000 2.156 127 E HA 0.347 4.697 4.350 0.000 0.000 0.279 127 E C 0.415 176.990 176.600 -0.041 0.000 0.965 127 E CA -0.849 55.524 56.400 -0.044 0.000 0.789 127 E CB 1.384 31.070 29.700 -0.024 0.000 1.098 127 E HN 0.350 nan 8.360 nan 0.000 0.397 128 R N 3.811 124.284 120.500 -0.046 0.000 2.449 128 R HA 0.032 4.372 4.340 0.000 0.000 0.296 128 R C 1.097 177.387 176.300 -0.017 0.000 1.047 128 R CA 0.215 56.291 56.100 -0.041 0.000 1.018 128 R CB 0.199 30.471 30.300 -0.045 0.000 0.962 128 R HN 0.659 nan 8.270 nan 0.000 0.428 129 I N -0.357 120.194 120.570 -0.031 0.000 3.526 129 I HA 0.276 4.446 4.170 0.000 0.000 0.294 129 I C 0.581 176.632 176.117 -0.110 0.000 1.229 129 I CA -0.197 61.071 61.300 -0.054 0.000 1.408 129 I CB 0.769 38.700 38.000 -0.116 0.000 1.127 129 I HN 0.500 nan 8.210 nan 0.000 0.439 130 T N -0.713 113.786 114.554 -0.092 0.000 2.693 130 T HA 0.710 5.060 4.350 0.000 0.000 0.304 130 T C -1.101 173.707 174.700 0.181 0.000 1.471 130 T CA 0.049 62.151 62.100 0.003 0.000 0.993 130 T CB 1.543 70.323 68.868 -0.146 0.000 1.554 130 T HN 0.584 nan 8.240 nan 0.000 0.496 131 G N 0.406 109.349 108.800 0.239 0.000 2.349 131 G HA2 0.500 4.460 3.960 0.000 0.000 0.294 131 G HA3 0.500 4.460 3.960 0.000 0.000 0.294 131 G C -1.538 173.488 174.900 0.211 0.000 1.380 131 G CA 0.195 45.446 45.100 0.252 0.000 0.811 131 G HN 0.879 nan 8.290 nan 0.000 0.519 132 S N -0.591 115.214 115.700 0.176 0.000 2.552 132 S HA 0.578 5.048 4.470 0.000 0.000 0.314 132 S C -0.212 174.461 174.600 0.122 0.000 1.099 132 S CA -0.464 57.822 58.200 0.144 0.000 1.070 132 S CB 1.070 64.388 63.200 0.197 0.000 0.998 132 S HN 0.534 nan 8.310 nan 0.000 0.474 133 Q N 2.168 122.023 119.800 0.092 0.000 2.260 133 Q HA 0.366 4.706 4.340 0.000 0.000 0.242 133 Q C -0.044 176.037 176.000 0.136 0.000 0.932 133 Q CA -0.683 55.182 55.803 0.103 0.000 0.891 133 Q CB 1.534 30.303 28.738 0.052 0.000 1.222 133 Q HN 0.601 nan 8.270 nan 0.000 0.453 134 V N 3.216 123.265 119.914 0.224 0.000 2.790 134 V HA -0.209 3.912 4.120 0.000 0.000 0.304 134 V C 0.381 176.412 176.094 -0.106 0.000 1.142 134 V CA 1.373 63.760 62.300 0.146 0.000 1.282 134 V CB -0.349 31.584 31.823 0.183 0.000 0.877 134 V HN 0.887 nan 8.190 nan 0.000 0.504 135 K N 3.079 123.283 120.400 -0.328 0.000 3.500 135 K HA -0.172 4.148 4.320 0.000 0.000 0.313 135 K C 0.597 176.936 176.600 -0.435 0.000 1.338 135 K CA 1.232 57.054 56.287 -0.774 0.000 0.963 135 K CB -1.411 30.676 32.500 -0.688 0.000 1.267 135 K HN 0.857 nan 8.250 nan 0.000 0.448 136 N N 0.971 119.557 118.700 -0.191 0.000 2.214 136 N HA 0.040 4.780 4.740 0.000 0.000 0.214 136 N C -0.239 175.053 175.510 -0.362 0.000 1.132 136 N CA 0.220 53.230 53.050 -0.066 0.000 0.856 136 N CB 0.261 38.728 38.487 -0.033 0.000 1.020 136 N HN 0.534 nan 8.380 nan 0.000 0.509 137 N N -1.370 116.978 118.700 -0.586 0.000 2.853 137 N HA 0.647 5.387 4.740 0.000 0.000 0.258 137 N C -0.215 174.766 175.510 -0.882 0.000 1.444 137 N CA -0.760 51.620 53.050 -1.117 0.000 0.837 137 N CB 2.305 40.452 38.487 -0.568 0.000 1.489 137 N HN -0.091 nan 8.380 nan 0.000 0.529 138 G N -0.875 107.440 108.800 -0.807 0.000 2.302 138 G HA2 0.044 4.004 3.960 0.000 0.000 0.276 138 G HA3 0.044 4.004 3.960 0.000 0.000 0.276 138 G C -2.501 172.536 174.900 0.228 0.000 1.316 138 G CA -0.839 44.086 45.100 -0.292 0.000 0.988 138 G HN 0.662 nan 8.290 nan 0.000 0.479 139 Y N 0.147 120.590 120.300 0.238 0.000 2.364 139 Y HA 0.666 5.217 4.550 0.000 0.000 0.340 139 Y C -0.155 175.806 175.900 0.101 0.000 0.975 139 Y CA -1.025 57.169 58.100 0.156 0.000 1.089 139 Y CB 2.136 40.559 38.460 -0.062 0.000 1.192 139 Y HN 0.529 nan 8.280 nan 0.000 0.454 140 V N 6.809 126.581 119.914 -0.237 0.000 2.357 140 V HA 0.272 4.392 4.120 0.000 0.000 0.284 140 V C -0.475 175.334 176.094 -0.475 0.000 1.018 140 V CA -0.824 61.315 62.300 -0.268 0.000 0.841 140 V CB 1.336 33.068 31.823 -0.152 0.000 0.991 140 V HN 0.750 nan 8.190 nan 0.000 0.437 141 Q N 3.759 123.321 119.800 -0.396 0.000 2.421 141 Q HA 0.190 4.530 4.340 0.000 0.000 0.242 141 Q C -0.677 175.249 176.000 -0.124 0.000 1.024 141 Q CA -0.533 55.096 55.803 -0.291 0.000 0.891 141 Q CB 0.848 29.479 28.738 -0.179 0.000 1.222 141 Q HN 0.754 nan 8.270 nan 0.000 0.483 142 D N 3.264 123.631 120.400 -0.054 0.000 2.352 142 D HA 0.054 4.694 4.640 0.000 0.000 0.245 142 D C 0.167 176.458 176.300 -0.015 0.000 1.224 142 D CA 0.123 54.123 54.000 -0.001 0.000 0.879 142 D CB 1.417 42.284 40.800 0.113 0.000 1.057 142 D HN 0.501 nan 8.370 nan 0.000 0.491 143 T N 3.097 117.638 114.554 -0.023 0.000 3.113 143 T HA 0.009 4.359 4.350 0.000 0.000 0.256 143 T C 1.391 176.086 174.700 -0.009 0.000 1.131 143 T CA 0.237 62.327 62.100 -0.015 0.000 1.074 143 T CB 0.129 68.987 68.868 -0.018 0.000 0.944 143 T HN 0.366 nan 8.240 nan 0.000 0.516 144 N N 2.400 121.094 118.700 -0.009 0.000 2.336 144 N HA -0.014 4.726 4.740 0.000 0.000 0.177 144 N C 1.323 176.833 175.510 -0.001 0.000 1.018 144 N CA 0.854 53.900 53.050 -0.007 0.000 0.878 144 N CB -0.059 38.422 38.487 -0.011 0.000 0.997 144 N HN 0.542 nan 8.380 nan 0.000 0.433 145 N N 0.367 119.070 118.700 0.004 0.000 2.170 145 N HA -0.019 4.721 4.740 0.000 0.000 0.222 145 N C -0.404 175.102 175.510 -0.005 0.000 1.218 145 N CA 0.098 53.151 53.050 0.004 0.000 0.889 145 N CB 0.162 38.657 38.487 0.014 0.000 1.083 145 N HN -0.160 nan 8.380 nan 0.000 0.520 146 Q N -0.792 119.002 119.800 -0.010 0.000 2.480 146 Q HA -0.253 4.087 4.340 0.000 0.000 0.265 146 Q C -0.801 175.166 176.000 -0.054 0.000 1.072 146 Q CA 0.977 56.768 55.803 -0.020 0.000 1.018 146 Q CB -2.561 26.174 28.738 -0.005 0.000 1.433 146 Q HN 0.634 nan 8.270 nan 0.000 0.513 147 R N 0.982 121.429 120.500 -0.089 0.000 2.486 147 R HA 0.498 4.838 4.340 0.000 0.000 0.286 147 R C 0.169 176.258 176.300 -0.352 0.000 0.999 147 R CA -0.589 55.368 56.100 -0.238 0.000 0.993 147 R CB 0.779 30.908 30.300 -0.285 0.000 1.084 147 R HN 0.116 nan 8.270 nan 0.000 0.487 148 N N 1.933 120.336 118.700 -0.495 0.000 2.314 148 N HA 0.358 5.098 4.740 0.000 0.000 0.304 148 N C -1.272 173.860 175.510 -0.630 0.000 1.073 148 N CA -0.430 52.328 53.050 -0.486 0.000 0.822 148 N CB 1.852 40.186 38.487 -0.255 0.000 1.280 148 N HN 0.405 nan 8.380 nan 0.000 0.489 149 Y N -0.075 120.057 120.300 -0.280 0.000 2.605 149 Y HA 0.532 5.082 4.550 0.000 0.000 0.343 149 Y C 0.122 176.012 175.900 -0.016 0.000 1.036 149 Y CA -1.134 56.890 58.100 -0.127 0.000 1.065 149 Y CB 1.703 40.086 38.460 -0.129 0.000 1.288 149 Y HN 0.116 nan 8.280 nan 0.000 0.481 150 M N 2.727 122.477 119.600 0.249 0.000 2.528 150 M HA 0.487 4.967 4.480 0.000 0.000 0.321 150 M C -1.165 175.290 176.300 0.259 0.000 1.153 150 M CA -0.703 54.758 55.300 0.268 0.000 0.951 150 M CB 1.669 34.389 32.600 0.201 0.000 1.705 150 M HN 0.725 nan 8.290 nan 0.000 0.451 151 F N 0.229 120.170 119.950 -0.015 0.000 2.626 151 F HA 0.869 5.396 4.527 0.000 0.000 0.311 151 F C -1.177 174.495 175.800 -0.214 0.000 1.088 151 F CA -0.940 56.974 58.000 -0.143 0.000 0.949 151 F CB 1.540 40.440 39.000 -0.166 0.000 1.322 151 F HN 0.545 nan 8.300 nan 0.000 0.461 152 E N 1.120 120.962 120.200 -0.596 0.000 2.367 152 E HA 0.618 4.968 4.350 0.000 0.000 0.273 152 E C -1.727 174.455 176.600 -0.697 0.000 0.903 152 E CA -0.796 55.140 56.400 -0.774 0.000 0.764 152 E CB 2.046 31.194 29.700 -0.921 0.000 1.252 152 E HN 0.736 nan 8.360 nan 0.000 0.446 153 R N 3.158 123.423 120.500 -0.392 0.000 2.500 153 R HA 0.439 4.779 4.340 0.000 0.000 0.299 153 R C -0.766 175.484 176.300 -0.084 0.000 1.038 153 R CA -0.592 55.386 56.100 -0.202 0.000 0.903 153 R CB 0.965 31.234 30.300 -0.050 0.000 1.177 153 R HN 0.405 nan 8.270 nan 0.000 0.455 154 L N 3.147 124.370 121.223 -0.000 0.000 2.264 154 L HA 0.288 4.628 4.340 0.000 0.000 0.289 154 L C -0.051 176.906 176.870 0.145 0.000 1.044 154 L CA -0.881 54.040 54.840 0.135 0.000 0.807 154 L CB 1.010 43.221 42.059 0.255 0.000 1.192 154 L HN 0.385 nan 8.230 nan 0.000 0.425 155 D N 3.613 124.090 120.400 0.128 0.000 2.472 155 D HA 0.248 4.888 4.640 0.000 0.000 0.237 155 D C -0.139 176.245 176.300 0.139 0.000 1.141 155 D CA 0.440 54.502 54.000 0.102 0.000 0.875 155 D CB 0.977 41.826 40.800 0.082 0.000 1.192 155 D HN 0.237 nan 8.370 nan 0.000 0.450 156 L N 1.119 122.399 121.223 0.096 0.000 2.334 156 L HA 0.558 4.898 4.340 0.000 0.000 0.276 156 L C 1.184 178.096 176.870 0.071 0.000 1.014 156 L CA -0.793 54.105 54.840 0.096 0.000 0.815 156 L CB 1.885 43.969 42.059 0.042 0.000 1.268 156 L HN 0.330 nan 8.230 nan 0.000 0.428 157 G N 1.036 109.884 108.800 0.080 0.000 2.537 157 G HA2 0.457 4.417 3.960 0.000 0.000 0.297 157 G HA3 0.457 4.417 3.960 0.000 0.000 0.297 157 G C -0.405 174.518 174.900 0.039 0.000 1.310 157 G CA -0.638 44.497 45.100 0.057 0.000 1.027 157 G HN 0.288 nan 8.290 nan 0.000 0.505 158 V N 0.946 120.879 119.914 0.031 0.000 2.509 158 V HA 0.341 4.461 4.120 0.000 0.000 0.297 158 V C 1.652 177.765 176.094 0.030 0.000 1.014 158 V CA 1.697 64.012 62.300 0.025 0.000 1.127 158 V CB 0.215 32.050 31.823 0.021 0.000 0.925 158 V HN 1.774 nan 8.190 nan 0.000 0.480 159 G N 3.652 112.470 108.800 0.030 0.000 2.166 159 G HA2 -0.293 3.667 3.960 0.000 0.000 0.260 159 G HA3 -0.293 3.667 3.960 0.000 0.000 0.260 159 G C 0.192 175.104 174.900 0.020 0.000 0.986 159 G CA 0.483 45.605 45.100 0.038 0.000 0.683 159 G HN 0.835 nan 8.290 nan 0.000 0.527 160 E N 1.444 121.653 120.200 0.016 0.000 2.257 160 E HA 0.476 4.826 4.350 0.000 0.000 0.278 160 E C 0.791 177.362 176.600 -0.049 0.000 1.049 160 E CA 0.278 56.681 56.400 0.006 0.000 0.876 160 E CB 0.339 30.064 29.700 0.042 0.000 1.035 160 E HN 0.397 nan 8.360 nan 0.000 0.419 161 T N 0.411 114.913 114.554 -0.087 0.000 2.888 161 T HA 0.564 4.914 4.350 0.000 0.000 0.284 161 T C -0.254 174.277 174.700 -0.283 0.000 1.017 161 T CA -0.914 61.039 62.100 -0.245 0.000 1.022 161 T CB 1.577 70.198 68.868 -0.411 0.000 1.013 161 T HN 0.138 nan 8.240 nan 0.000 0.465 162 V N 2.502 122.114 119.914 -0.503 0.000 2.581 162 V HA 0.611 4.731 4.120 0.000 0.000 0.303 162 V C -1.246 174.458 176.094 -0.650 0.000 1.041 162 V CA -0.852 61.201 62.300 -0.411 0.000 0.907 162 V CB 1.020 32.618 31.823 -0.376 0.000 0.994 162 V HN 0.951 nan 8.190 nan 0.000 0.442 163 Y N 1.339 121.514 120.300 -0.207 0.000 2.581 163 Y HA 0.833 5.383 4.550 0.000 0.000 0.345 163 Y C 0.778 176.548 175.900 -0.216 0.000 1.036 163 Y CA 0.381 58.359 58.100 -0.203 0.000 1.042 163 Y CB 2.350 40.698 38.460 -0.187 0.000 1.289 163 Y HN 0.984 nan 8.280 nan 0.000 0.471 164 G N 0.316 109.089 108.800 -0.045 0.000 2.601 164 G HA2 -0.192 3.769 3.960 0.000 0.000 0.224 164 G HA3 -0.192 3.769 3.960 0.000 0.000 0.224 164 G C -0.144 174.660 174.900 -0.161 0.000 1.171 164 G CA -0.249 44.795 45.100 -0.092 0.000 1.009 164 G HN 1.179 nan 8.290 nan 0.000 0.589 165 L N 0.020 121.145 121.223 -0.164 0.000 4.291 165 L HA 0.050 4.390 4.340 0.000 0.000 0.413 165 L C 1.414 178.200 176.870 -0.140 0.000 1.162 165 L CA 1.550 56.260 54.840 -0.216 0.000 0.961 165 L CB -1.699 40.141 42.059 -0.365 0.000 2.095 165 L HN 2.892 nan 8.230 nan 0.000 0.838 166 G N -0.140 108.594 108.800 -0.110 0.000 2.466 166 G HA2 -0.161 3.799 3.960 0.000 0.000 0.316 166 G HA3 -0.161 3.799 3.960 0.000 0.000 0.316 166 G C -0.528 174.217 174.900 -0.259 0.000 1.270 166 G CA 0.030 45.042 45.100 -0.147 0.000 0.982 166 G HN 0.336 nan 8.290 nan 0.000 0.506 167 E N 0.973 120.976 120.200 -0.328 0.000 2.003 167 E HA 0.453 4.803 4.350 0.000 0.000 0.279 167 E C 0.484 176.706 176.600 -0.630 0.000 1.132 167 E CA -0.213 55.919 56.400 -0.446 0.000 0.888 167 E CB 0.046 29.546 29.700 -0.333 0.000 1.056 167 E HN 0.491 nan 8.360 nan 0.000 0.399 168 R N 3.338 123.409 120.500 -0.715 0.000 2.854 168 R HA 0.370 4.710 4.340 0.000 0.000 0.271 168 R C -0.308 175.463 176.300 -0.881 0.000 0.994 168 R CA -0.734 54.916 56.100 -0.750 0.000 0.945 168 R CB 0.838 30.932 30.300 -0.345 0.000 1.194 168 R HN 0.459 nan 8.270 nan 0.000 0.476 169 F N -0.455 119.451 119.950 -0.073 0.000 2.706 169 F HA 0.092 4.619 4.527 0.000 0.000 0.313 169 F C 1.228 176.995 175.800 -0.056 0.000 1.096 169 F CA -0.471 57.494 58.000 -0.058 0.000 1.219 169 F CB 0.361 39.341 39.000 -0.034 0.000 1.051 169 F HN 0.475 nan 8.300 nan 0.000 0.568 170 T N -0.726 113.832 114.554 0.007 0.000 2.729 170 T HA 0.576 4.926 4.350 0.000 0.000 0.298 170 T C 0.782 175.459 174.700 -0.039 0.000 1.013 170 T CA -0.529 61.565 62.100 -0.010 0.000 0.957 170 T CB 0.586 69.431 68.868 -0.038 0.000 1.130 170 T HN 0.188 nan 8.240 nan 0.000 0.526 171 A N 0.301 123.097 122.820 -0.041 0.000 2.587 171 A HA 0.231 4.551 4.320 0.000 0.000 0.233 171 A C 1.389 178.930 177.584 -0.073 0.000 1.049 171 A CA -0.345 51.666 52.037 -0.044 0.000 0.754 171 A CB -0.591 18.387 19.000 -0.035 0.000 0.977 171 A HN 0.989 nan 8.150 nan 0.000 0.509 172 L N 3.844 125.033 121.223 -0.057 0.000 2.042 172 L HA -0.055 4.285 4.340 0.000 0.000 0.210 172 L C 0.955 177.719 176.870 -0.176 0.000 1.076 172 L CA 1.742 56.536 54.840 -0.077 0.000 0.749 172 L CB -0.262 41.792 42.059 -0.008 0.000 0.893 172 L HN 0.468 nan 8.230 nan 0.000 0.432 173 V N 0.656 120.436 119.914 -0.223 0.000 2.488 173 V HA 0.087 4.208 4.120 0.000 0.000 0.277 173 V C 1.301 177.219 176.094 -0.294 0.000 1.046 173 V CA -0.035 61.991 62.300 -0.457 0.000 0.986 173 V CB 1.147 32.718 31.823 -0.419 0.000 0.989 173 V HN 0.302 nan 8.190 nan 0.000 0.475 174 R N 2.621 122.905 120.500 -0.360 0.000 2.246 174 R HA 0.124 4.464 4.340 0.000 0.000 0.199 174 R C 0.437 176.617 176.300 -0.200 0.000 0.984 174 R CA -0.016 55.931 56.100 -0.256 0.000 1.015 174 R CB -0.124 30.000 30.300 -0.293 0.000 0.930 174 R HN 0.766 nan 8.270 nan 0.000 0.475 175 N N 0.269 118.847 118.700 -0.203 0.000 2.294 175 N HA 0.088 4.828 4.740 0.000 0.000 0.263 175 N C 0.839 176.294 175.510 -0.091 0.000 1.281 175 N CA 1.524 54.493 53.050 -0.135 0.000 0.846 175 N CB 0.599 39.023 38.487 -0.104 0.000 1.061 175 N HN 0.314 nan 8.380 nan 0.000 0.478 176 G N 0.822 109.575 108.800 -0.079 0.000 2.195 176 G HA2 -0.255 3.705 3.960 0.000 0.000 0.224 176 G HA3 -0.255 3.705 3.960 0.000 0.000 0.224 176 G C -0.142 174.723 174.900 -0.058 0.000 0.990 176 G CA -0.341 44.722 45.100 -0.061 0.000 0.639 176 G HN 0.573 nan 8.290 nan 0.000 0.514 177 Q N 0.795 120.555 119.800 -0.068 0.000 2.274 177 Q HA 0.577 4.917 4.340 0.000 0.000 0.260 177 Q C 0.164 176.143 176.000 -0.035 0.000 0.974 177 Q CA 0.046 55.816 55.803 -0.056 0.000 0.876 177 Q CB 1.881 30.575 28.738 -0.074 0.000 1.297 177 Q HN 0.298 nan 8.270 nan 0.000 0.446 178 T N -0.137 114.408 114.554 -0.016 0.000 2.856 178 T HA 0.491 4.841 4.350 0.000 0.000 0.292 178 T C -0.675 174.044 174.700 0.031 0.000 0.980 178 T CA -0.596 61.513 62.100 0.016 0.000 1.091 178 T CB 0.920 69.792 68.868 0.006 0.000 0.936 178 T HN 0.403 nan 8.240 nan 0.000 0.503 179 V N 3.679 123.646 119.914 0.090 0.000 2.686 179 V HA 0.669 4.789 4.120 0.000 0.000 0.306 179 V C -1.208 175.014 176.094 0.213 0.000 1.065 179 V CA -0.714 61.645 62.300 0.099 0.000 0.894 179 V CB 2.091 33.910 31.823 -0.007 0.000 1.004 179 V HN 0.971 nan 8.190 nan 0.000 0.424 180 E N 3.789 124.095 120.200 0.177 0.000 2.133 180 E HA 0.335 4.685 4.350 0.000 0.000 0.274 180 E C -0.190 176.583 176.600 0.288 0.000 0.930 180 E CA -0.330 56.201 56.400 0.219 0.000 0.770 180 E CB 1.808 31.589 29.700 0.135 0.000 1.104 180 E HN 0.925 nan 8.360 nan 0.000 0.403 181 T N 0.892 115.669 114.554 0.372 0.000 3.176 181 T HA 0.297 4.647 4.350 0.000 0.000 0.301 181 T C -0.243 174.771 174.700 0.523 0.000 1.115 181 T CA -0.719 61.615 62.100 0.390 0.000 1.027 181 T CB -0.149 68.968 68.868 0.414 0.000 1.063 181 T HN 0.432 nan 8.240 nan 0.000 0.669 182 W N 4.068 125.494 121.300 0.209 0.000 2.957 182 W HA 0.267 4.927 4.660 0.000 0.000 0.327 182 W C -1.410 175.290 176.519 0.301 0.000 1.039 182 W CA -0.906 56.584 57.345 0.242 0.000 1.257 182 W CB 1.296 30.831 29.460 0.125 0.000 1.238 182 W HN 0.393 nan 8.180 nan 0.000 0.406 183 N N 4.886 123.693 118.700 0.179 0.000 2.454 183 N HA 0.180 4.920 4.740 0.000 0.000 0.260 183 N C -0.298 175.334 175.510 0.203 0.000 1.218 183 N CA 0.635 53.777 53.050 0.153 0.000 0.904 183 N CB 0.698 39.209 38.487 0.040 0.000 1.065 183 N HN 0.359 nan 8.380 nan 0.000 0.462 184 R N 0.360 120.986 120.500 0.210 0.000 2.740 184 R HA 0.218 4.558 4.340 0.000 0.000 0.273 184 R C -1.212 175.202 176.300 0.191 0.000 0.998 184 R CA -0.812 55.427 56.100 0.231 0.000 0.900 184 R CB 1.568 32.006 30.300 0.230 0.000 1.223 184 R HN 0.366 nan 8.270 nan 0.000 0.466 185 D N 1.041 121.592 120.400 0.252 0.000 2.500 185 D HA 0.206 4.846 4.640 0.000 0.000 0.219 185 D C 0.212 176.599 176.300 0.144 0.000 1.137 185 D CA 0.023 54.179 54.000 0.259 0.000 0.946 185 D CB 0.680 41.691 40.800 0.352 0.000 1.022 185 D HN 0.756 nan 8.370 nan 0.000 0.518 186 G N 1.480 110.256 108.800 -0.040 0.000 3.519 186 G HA2 0.491 4.451 3.960 0.000 0.000 0.269 186 G HA3 0.491 4.451 3.960 0.000 0.000 0.269 186 G C 0.829 175.692 174.900 -0.062 0.000 1.028 186 G CA 0.149 45.243 45.100 -0.010 0.000 0.809 186 G HN 0.792 nan 8.290 nan 0.000 0.521 187 G N 0.257 109.007 108.800 -0.083 0.000 2.645 187 G HA2 -0.032 3.928 3.960 0.000 0.000 0.239 187 G HA3 -0.032 3.928 3.960 0.000 0.000 0.239 187 G C 0.671 175.371 174.900 -0.333 0.000 1.331 187 G CA 0.735 45.803 45.100 -0.054 0.000 0.890 187 G HN 1.199 nan 8.290 nan 0.000 0.572 188 T N -3.514 110.800 114.554 -0.399 0.000 3.228 188 T HA 0.574 4.924 4.350 0.000 0.000 0.278 188 T C 1.227 175.485 174.700 -0.735 0.000 1.014 188 T CA 1.043 62.495 62.100 -1.080 0.000 0.904 188 T CB 0.053 68.460 68.868 -0.769 0.000 1.110 188 T HN 1.809 nan 8.240 nan 0.000 0.541 189 S N 0.042 115.544 115.700 -0.329 0.000 2.780 189 S HA 0.330 4.800 4.470 0.000 0.000 0.248 189 S C 0.680 175.244 174.600 -0.060 0.000 1.036 189 S CA 0.026 58.128 58.200 -0.163 0.000 1.061 189 S CB 0.245 63.320 63.200 -0.208 0.000 1.037 189 S HN 0.710 nan 8.310 nan 0.000 0.584 190 T N -0.619 113.928 114.554 -0.013 0.000 2.693 190 T HA 0.483 4.834 4.350 0.000 0.000 0.278 190 T C 0.600 175.358 174.700 0.096 0.000 0.994 190 T CA -0.190 61.930 62.100 0.033 0.000 1.033 190 T CB 1.451 70.329 68.868 0.016 0.000 1.342 190 T HN 0.006 nan 8.240 nan 0.000 0.538 191 E N 0.052 120.291 120.200 0.066 0.000 2.482 191 E HA -0.002 4.348 4.350 0.000 0.000 0.196 191 E C 0.212 176.856 176.600 0.073 0.000 1.047 191 E CA 0.289 56.726 56.400 0.061 0.000 0.869 191 E CB -0.139 29.584 29.700 0.037 0.000 0.836 191 E HN 0.724 nan 8.360 nan 0.000 0.520 192 Q N 0.410 120.259 119.800 0.082 0.000 2.368 192 Q HA 0.544 4.884 4.340 0.000 0.000 0.237 192 Q C -0.649 175.389 176.000 0.064 0.000 0.987 192 Q CA -0.104 55.746 55.803 0.078 0.000 0.896 192 Q CB 1.477 30.255 28.738 0.068 0.000 1.241 192 Q HN 0.256 nan 8.270 nan 0.000 0.485 193 A N 1.044 123.887 122.820 0.038 0.000 2.422 193 A HA 0.431 4.751 4.320 0.000 0.000 0.302 193 A C -1.024 176.566 177.584 0.010 0.000 1.041 193 A CA -0.666 51.373 52.037 0.002 0.000 0.708 193 A CB 0.505 19.494 19.000 -0.018 0.000 1.257 193 A HN 0.787 nan 8.150 nan 0.000 0.414 194 Y N 0.905 121.301 120.300 0.160 0.000 2.395 194 Y HA 0.068 4.618 4.550 0.000 0.000 0.293 194 Y C 0.779 176.729 175.900 0.084 0.000 1.123 194 Y CA 1.180 59.351 58.100 0.119 0.000 1.227 194 Y CB 0.123 38.645 38.460 0.104 0.000 1.012 194 Y HN 0.510 nan 8.280 nan 0.000 0.552 195 K N 1.425 121.939 120.400 0.191 0.000 2.592 195 K HA 0.219 4.539 4.320 0.000 0.000 0.212 195 K C -0.993 175.604 176.600 -0.005 0.000 1.013 195 K CA -0.266 56.051 56.287 0.050 0.000 1.034 195 K CB 0.540 32.980 32.500 -0.101 0.000 1.292 195 K HN 0.071 nan 8.250 nan 0.000 0.521 196 N N 3.273 122.022 118.700 0.081 0.000 2.473 196 N HA 0.432 5.172 4.740 0.000 0.000 0.291 196 N C -0.687 174.902 175.510 0.132 0.000 1.083 196 N CA -0.280 52.832 53.050 0.102 0.000 0.951 196 N CB 1.585 40.186 38.487 0.190 0.000 1.164 196 N HN 0.292 nan 8.380 nan 0.000 0.480 197 I N 2.819 123.454 120.570 0.108 0.000 2.586 197 I HA 0.211 4.381 4.170 0.000 0.000 0.288 197 I C -2.336 173.861 176.117 0.133 0.000 1.147 197 I CA -1.766 59.616 61.300 0.137 0.000 1.047 197 I CB 2.278 40.360 38.000 0.137 0.000 1.244 197 I HN 0.221 nan 8.210 nan 0.000 0.429 198 P HA 0.177 nan 4.420 nan 0.000 0.220 198 P C -0.681 176.789 177.300 0.283 0.000 1.778 198 P CA 0.114 63.414 63.100 0.335 0.000 0.912 198 P CB -0.506 31.537 31.700 0.572 0.000 1.861 199 F N 2.914 122.817 119.950 -0.077 0.000 2.547 199 F HA 0.560 5.087 4.527 0.000 0.000 0.316 199 F C -1.417 174.259 175.800 -0.207 0.000 1.121 199 F CA -1.300 56.584 58.000 -0.194 0.000 0.911 199 F CB 1.568 40.314 39.000 -0.424 0.000 1.179 199 F HN -0.015 nan 8.300 nan 0.000 0.443 200 Y N 5.265 124.905 120.300 -1.101 0.000 2.576 200 Y HA 0.839 5.389 4.550 0.000 0.000 0.346 200 Y C -1.343 173.838 175.900 -1.198 0.000 1.018 200 Y CA -1.795 55.721 58.100 -0.973 0.000 1.050 200 Y CB 1.646 39.774 38.460 -0.555 0.000 1.280 200 Y HN 0.793 nan 8.280 nan 0.000 0.474 201 M N 1.426 120.686 119.600 -0.567 0.000 2.618 201 M HA 0.834 5.314 4.480 0.000 0.000 0.281 201 M C -1.233 174.980 176.300 -0.145 0.000 1.267 201 M CA -0.699 54.322 55.300 -0.464 0.000 0.845 201 M CB 2.537 34.918 32.600 -0.365 0.000 1.732 201 M HN 0.901 nan 8.290 nan 0.000 0.461 202 T N -2.318 112.074 114.554 -0.270 0.000 2.888 202 T HA 0.432 4.782 4.350 0.000 0.000 0.288 202 T C 0.266 174.907 174.700 -0.099 0.000 1.063 202 T CA -0.611 61.411 62.100 -0.129 0.000 1.010 202 T CB 1.220 69.906 68.868 -0.303 0.000 1.214 202 T HN 0.850 nan 8.240 nan 0.000 0.533 203 N N 0.110 118.823 118.700 0.022 0.000 2.485 203 N HA 0.022 4.762 4.740 0.000 0.000 0.199 203 N C 0.603 176.100 175.510 -0.023 0.000 1.236 203 N CA -0.222 52.816 53.050 -0.019 0.000 0.852 203 N CB -0.274 38.235 38.487 0.036 0.000 1.018 203 N HN 0.367 nan 8.380 nan 0.000 0.457 204 R N -0.424 120.051 120.500 -0.043 0.000 2.472 204 R HA 0.290 4.630 4.340 0.000 0.000 0.279 204 R C 0.868 177.221 176.300 0.088 0.000 0.953 204 R CA 0.026 56.160 56.100 0.056 0.000 1.088 204 R CB -0.613 29.799 30.300 0.187 0.000 1.197 204 R HN 0.376 nan 8.270 nan 0.000 0.536 205 G N 1.111 109.897 108.800 -0.024 0.000 2.137 205 G HA2 -0.323 3.637 3.960 0.000 0.000 0.237 205 G HA3 -0.323 3.637 3.960 0.000 0.000 0.237 205 G C -0.200 174.759 174.900 0.099 0.000 1.002 205 G CA 0.829 45.939 45.100 0.018 0.000 0.702 205 G HN 0.467 nan 8.290 nan 0.000 0.515 206 Y N -1.851 118.442 120.300 -0.013 0.000 2.665 206 Y HA 0.860 5.410 4.550 0.000 0.000 0.336 206 Y C 0.415 176.259 175.900 -0.094 0.000 1.085 206 Y CA -1.296 56.786 58.100 -0.030 0.000 1.096 206 Y CB 1.112 39.556 38.460 -0.028 0.000 1.301 206 Y HN 0.676 nan 8.280 nan 0.000 0.493 207 G N -0.222 108.594 108.800 0.026 0.000 2.672 207 G HA2 0.564 4.524 3.960 0.000 0.000 0.292 207 G HA3 0.564 4.524 3.960 0.000 0.000 0.292 207 G C -2.128 172.648 174.900 -0.207 0.000 1.375 207 G CA -0.717 44.211 45.100 -0.288 0.000 0.890 207 G HN 1.397 nan 8.290 nan 0.000 0.476 208 V N 0.785 120.305 119.914 -0.656 0.000 2.623 208 V HA 0.762 4.882 4.120 0.000 0.000 0.304 208 V C -1.561 174.463 176.094 -0.117 0.000 1.054 208 V CA -0.983 61.128 62.300 -0.315 0.000 0.882 208 V CB 1.525 33.150 31.823 -0.331 0.000 1.002 208 V HN 0.874 nan 8.190 nan 0.000 0.424 209 L N 7.394 128.809 121.223 0.320 0.000 2.257 209 L HA 0.645 4.985 4.340 0.000 0.000 0.290 209 L C -0.342 176.760 176.870 0.386 0.000 1.044 209 L CA 0.135 55.242 54.840 0.445 0.000 0.810 209 L CB 1.483 43.895 42.059 0.589 0.000 1.193 209 L HN 0.623 nan 8.230 nan 0.000 0.425 210 V N 5.145 125.234 119.914 0.291 0.000 2.408 210 V HA 0.221 4.341 4.120 0.000 0.000 0.267 210 V C 0.488 176.855 176.094 0.455 0.000 1.047 210 V CA -0.516 61.952 62.300 0.279 0.000 0.937 210 V CB 0.774 32.628 31.823 0.052 0.000 0.999 210 V HN 0.789 nan 8.190 nan 0.000 0.472 211 N N 4.051 122.982 118.700 0.386 0.000 3.298 211 N HA 0.159 4.899 4.740 0.000 0.000 0.292 211 N C -0.650 174.762 175.510 -0.164 0.000 1.271 211 N CA -0.137 53.104 53.050 0.319 0.000 1.184 211 N CB -0.528 38.222 38.487 0.437 0.000 1.452 211 N HN 0.810 nan 8.380 nan 0.000 0.534 212 H N -0.316 118.910 119.070 0.261 0.000 3.108 212 H HA 0.264 4.820 4.556 0.000 0.000 0.329 212 H C -1.864 173.451 175.328 -0.022 0.000 0.978 212 H CA -1.344 54.743 56.048 0.065 0.000 1.413 212 H CB 1.986 31.809 29.762 0.102 0.000 1.670 212 H HN 0.202 nan 8.280 nan 0.000 0.512 213 P HA -0.089 nan 4.420 nan 0.000 0.225 213 P C 0.004 177.415 177.300 0.186 0.000 1.156 213 P CA 0.578 63.569 63.100 -0.182 0.000 0.787 213 P CB 0.422 31.849 31.700 -0.455 0.000 0.802 214 Q N -0.733 119.198 119.800 0.218 0.000 2.793 214 Q HA -0.000 4.340 4.340 0.000 0.000 0.220 214 Q C 0.339 176.587 176.000 0.413 0.000 1.123 214 Q CA 0.063 56.066 55.803 0.334 0.000 1.073 214 Q CB -0.588 28.279 28.738 0.214 0.000 1.315 214 Q HN 0.049 nan 8.270 nan 0.000 0.619 215 C N 1.109 120.669 119.300 0.434 0.000 2.638 215 C HA 0.263 4.723 4.460 0.000 0.000 0.410 215 C C -0.314 174.796 174.990 0.199 0.000 1.404 215 C CA -0.430 58.786 59.018 0.330 0.000 1.651 215 C CB -1.187 26.530 27.740 -0.038 0.000 2.495 215 C HN 0.456 nan 8.230 nan 0.000 0.606 216 V N 6.954 127.020 119.914 0.254 0.000 2.398 216 V HA 0.386 4.506 4.120 0.000 0.000 0.286 216 V C 0.305 176.472 176.094 0.121 0.000 1.026 216 V CA -0.124 62.257 62.300 0.136 0.000 0.868 216 V CB 1.772 33.689 31.823 0.157 0.000 0.982 216 V HN 0.900 nan 8.190 nan 0.000 0.443 217 S N 5.082 120.768 115.700 -0.023 0.000 2.404 217 S HA 0.607 5.077 4.470 0.000 0.000 0.309 217 S C -0.807 173.748 174.600 -0.075 0.000 1.076 217 S CA -0.422 57.780 58.200 0.004 0.000 1.095 217 S CB -0.273 62.895 63.200 -0.054 0.000 0.972 217 S HN 0.398 nan 8.310 nan 0.000 0.484 218 F N 3.317 123.307 119.950 0.068 0.000 2.410 218 F HA 0.389 4.916 4.527 0.000 0.000 0.349 218 F C 0.863 176.660 175.800 -0.005 0.000 1.117 218 F CA -0.614 57.424 58.000 0.063 0.000 1.104 218 F CB 1.153 40.172 39.000 0.031 0.000 1.122 218 F HN 0.394 nan 8.300 nan 0.000 0.483 219 E N 3.871 124.147 120.200 0.128 0.000 2.070 219 E HA 0.224 4.574 4.350 0.000 0.000 0.261 219 E C -0.836 175.779 176.600 0.025 0.000 0.926 219 E CA -0.344 56.079 56.400 0.039 0.000 0.760 219 E CB 1.649 31.333 29.700 -0.026 0.000 1.133 219 E HN 0.241 nan 8.360 nan 0.000 0.420 220 V N 1.827 121.740 119.914 -0.002 0.000 2.299 220 V HA 0.235 4.355 4.120 0.000 0.000 0.255 220 V C 1.372 177.414 176.094 -0.088 0.000 1.100 220 V CA 0.163 62.417 62.300 -0.076 0.000 0.938 220 V CB 0.268 31.997 31.823 -0.155 0.000 1.139 220 V HN 0.910 nan 8.190 nan 0.000 0.490 221 G N 4.544 113.300 108.800 -0.074 0.000 2.233 221 G HA2 -0.304 3.656 3.960 0.000 0.000 0.270 221 G HA3 -0.304 3.656 3.960 0.000 0.000 0.270 221 G C 0.779 175.644 174.900 -0.058 0.000 1.011 221 G CA 0.763 45.825 45.100 -0.065 0.000 0.762 221 G HN 0.982 nan 8.290 nan 0.000 0.511 222 S N -1.980 113.688 115.700 -0.053 0.000 2.523 222 S HA 0.392 4.862 4.470 0.000 0.000 0.217 222 S C 1.290 175.857 174.600 -0.056 0.000 0.996 222 S CA 0.801 58.971 58.200 -0.051 0.000 0.921 222 S CB 0.758 63.932 63.200 -0.043 0.000 0.829 222 S HN 0.642 nan 8.310 nan 0.000 0.495 223 E N 1.208 121.371 120.200 -0.062 0.000 2.476 223 E HA 0.190 4.540 4.350 0.000 0.000 0.193 223 E C -0.518 176.034 176.600 -0.079 0.000 0.966 223 E CA -0.019 56.335 56.400 -0.077 0.000 1.114 223 E CB 0.494 30.138 29.700 -0.094 0.000 1.151 223 E HN 0.027 nan 8.360 nan 0.000 0.487 224 K N 2.415 122.771 120.400 -0.073 0.000 2.281 224 K HA 0.136 4.456 4.320 0.000 0.000 0.272 224 K C 1.021 177.587 176.600 -0.057 0.000 1.048 224 K CA 0.010 56.256 56.287 -0.070 0.000 0.898 224 K CB 1.775 34.237 32.500 -0.063 0.000 1.128 224 K HN 0.219 nan 8.250 nan 0.000 0.460 225 V N -0.001 119.879 119.914 -0.057 0.000 2.759 225 V HA -0.103 4.017 4.120 0.000 0.000 0.256 225 V C 0.887 176.957 176.094 -0.040 0.000 1.080 225 V CA 1.209 63.480 62.300 -0.049 0.000 1.101 225 V CB -0.222 31.573 31.823 -0.046 0.000 0.698 225 V HN 0.482 nan 8.190 nan 0.000 0.477 226 S N 0.532 116.212 115.700 -0.034 0.000 2.526 226 S HA 0.445 4.915 4.470 0.000 0.000 0.245 226 S C -0.033 174.563 174.600 -0.007 0.000 1.103 226 S CA -0.551 57.638 58.200 -0.019 0.000 1.095 226 S CB -0.236 62.957 63.200 -0.011 0.000 0.826 226 S HN 0.741 nan 8.310 nan 0.000 0.468 227 K N 0.661 121.052 120.400 -0.016 0.000 2.508 227 K HA 0.515 4.835 4.320 0.000 0.000 0.260 227 K C -1.276 175.313 176.600 -0.018 0.000 0.949 227 K CA -0.858 55.428 56.287 -0.001 0.000 0.834 227 K CB 2.163 34.660 32.500 -0.005 0.000 1.365 227 K HN -0.103 nan 8.250 nan 0.000 0.437 228 V N 2.464 122.381 119.914 0.004 0.000 2.353 228 V HA 0.134 4.254 4.120 0.000 0.000 0.264 228 V C 0.017 176.153 176.094 0.070 0.000 1.049 228 V CA -0.487 61.819 62.300 0.009 0.000 0.896 228 V CB 0.700 32.456 31.823 -0.112 0.000 1.025 228 V HN 0.679 nan 8.190 nan 0.000 0.475 229 Q N 5.387 125.200 119.800 0.023 0.000 2.256 229 Q HA 0.605 4.945 4.340 0.000 0.000 0.254 229 Q C -1.332 174.656 176.000 -0.021 0.000 0.916 229 Q CA -0.504 55.252 55.803 -0.077 0.000 0.932 229 Q CB 1.162 29.866 28.738 -0.058 0.000 1.207 229 Q HN 0.722 nan 8.270 nan 0.000 0.426 230 F N 0.648 120.510 119.950 -0.148 0.000 2.569 230 F HA 0.716 5.243 4.527 0.000 0.000 0.312 230 F C -0.877 174.808 175.800 -0.192 0.000 1.109 230 F CA -0.953 56.824 58.000 -0.371 0.000 0.919 230 F CB 1.565 40.115 39.000 -0.751 0.000 1.211 230 F HN 0.454 nan 8.300 nan 0.000 0.446 231 S N 1.818 117.480 115.700 -0.062 0.000 2.599 231 S HA 0.907 5.377 4.470 0.000 0.000 0.287 231 S C -1.628 172.955 174.600 -0.028 0.000 1.105 231 S CA -0.872 57.317 58.200 -0.018 0.000 0.899 231 S CB 1.941 65.088 63.200 -0.088 0.000 1.100 231 S HN 1.299 nan 8.310 nan 0.000 0.482 232 V N 0.544 120.466 119.914 0.013 0.000 3.012 232 V HA 0.522 4.642 4.120 0.000 0.000 0.307 232 V C -1.194 174.949 176.094 0.081 0.000 1.166 232 V CA -0.693 61.589 62.300 -0.030 0.000 0.974 232 V CB 1.961 33.593 31.823 -0.318 0.000 1.040 232 V HN 1.135 nan 8.190 nan 0.000 0.428 233 E N 3.872 124.106 120.200 0.056 0.000 1.932 233 E HA 0.570 4.920 4.350 0.000 0.000 0.275 233 E C -0.645 175.867 176.600 -0.147 0.000 1.159 233 E CA 0.225 56.519 56.400 -0.178 0.000 0.905 233 E CB 0.515 30.049 29.700 -0.275 0.000 1.059 233 E HN 0.711 nan 8.360 nan 0.000 0.400 234 S N 3.054 118.686 115.700 -0.113 0.000 2.578 234 S HA 0.106 4.576 4.470 0.000 0.000 0.272 234 S C -0.136 174.506 174.600 0.070 0.000 1.145 234 S CA -0.689 57.470 58.200 -0.068 0.000 0.835 234 S CB 1.362 64.397 63.200 -0.277 0.000 1.104 234 S HN 0.546 nan 8.310 nan 0.000 0.458 235 E N 0.807 121.111 120.200 0.173 0.000 2.478 235 E HA 0.150 4.500 4.350 0.000 0.000 0.194 235 E C -0.324 176.471 176.600 0.324 0.000 1.045 235 E CA 0.553 57.112 56.400 0.265 0.000 0.868 235 E CB 0.113 29.963 29.700 0.251 0.000 0.885 235 E HN 0.606 nan 8.360 nan 0.000 0.505 236 Y N -1.803 118.610 120.300 0.188 0.000 2.588 236 Y HA 0.629 5.179 4.550 0.000 0.000 0.343 236 Y C -1.344 174.713 175.900 0.262 0.000 1.065 236 Y CA -1.723 56.498 58.100 0.201 0.000 1.038 236 Y CB 1.002 39.557 38.460 0.159 0.000 1.297 236 Y HN -0.209 nan 8.280 nan 0.000 0.467 237 L N 2.540 123.924 121.223 0.269 0.000 2.385 237 L HA 0.609 4.949 4.340 0.000 0.000 0.273 237 L C -1.238 175.923 176.870 0.485 0.000 0.990 237 L CA -0.462 54.576 54.840 0.331 0.000 0.821 237 L CB 2.008 44.238 42.059 0.284 0.000 1.279 237 L HN 0.905 nan 8.230 nan 0.000 0.412 238 E N 3.756 124.287 120.200 0.553 0.000 2.234 238 E HA 0.547 4.897 4.350 0.000 0.000 0.266 238 E C -1.949 174.763 176.600 0.186 0.000 0.877 238 E CA -0.610 55.921 56.400 0.218 0.000 0.758 238 E CB 1.447 31.255 29.700 0.180 0.000 1.170 238 E HN 0.559 nan 8.360 nan 0.000 0.415 239 Y N 1.278 121.500 120.300 -0.130 0.000 2.615 239 Y HA 0.708 5.258 4.550 0.000 0.000 0.341 239 Y C -1.707 173.926 175.900 -0.445 0.000 1.089 239 Y CA -1.486 56.536 58.100 -0.129 0.000 1.049 239 Y CB 1.075 39.576 38.460 0.069 0.000 1.296 239 Y HN 0.261 nan 8.280 nan 0.000 0.470 240 F N 1.252 121.336 119.950 0.224 0.000 2.507 240 F HA 0.605 5.132 4.527 0.000 0.000 0.328 240 F C -0.730 175.125 175.800 0.092 0.000 1.136 240 F CA -1.220 56.826 58.000 0.076 0.000 0.930 240 F CB 2.119 41.220 39.000 0.169 0.000 1.166 240 F HN 0.353 nan 8.300 nan 0.000 0.436 241 V N 5.119 125.101 119.914 0.113 0.000 2.432 241 V HA 0.376 4.496 4.120 0.000 0.000 0.275 241 V C 0.111 176.248 176.094 0.072 0.000 1.043 241 V CA -0.509 61.786 62.300 -0.007 0.000 0.925 241 V CB 1.257 32.876 31.823 -0.341 0.000 0.985 241 V HN 0.541 nan 8.190 nan 0.000 0.466 242 I N 3.640 124.282 120.570 0.120 0.000 2.410 242 I HA 0.357 4.527 4.170 0.000 0.000 0.286 242 I C -0.299 175.896 176.117 0.130 0.000 1.009 242 I CA -0.474 60.903 61.300 0.129 0.000 1.111 242 I CB 1.749 39.882 38.000 0.221 0.000 1.262 242 I HN 0.531 nan 8.210 nan 0.000 0.443 243 D N 4.079 124.530 120.400 0.086 0.000 2.344 243 D HA 0.382 5.022 4.640 0.000 0.000 0.244 243 D C 0.652 176.999 176.300 0.079 0.000 1.134 243 D CA 0.191 54.245 54.000 0.091 0.000 0.930 243 D CB 1.757 42.587 40.800 0.050 0.000 1.175 243 D HN 0.594 nan 8.370 nan 0.000 0.437 244 G N 0.620 109.468 108.800 0.079 0.000 2.606 244 G HA2 0.116 4.076 3.960 0.000 0.000 0.213 244 G HA3 0.116 4.076 3.960 0.000 0.000 0.213 244 G C -1.519 173.395 174.900 0.023 0.000 2.020 244 G CA -0.130 44.997 45.100 0.045 0.000 0.814 244 G HN 0.584 nan 8.290 nan 0.000 0.685 245 P HA 0.214 nan 4.420 nan 0.000 0.257 245 P C 0.038 177.348 177.300 0.017 0.000 1.281 245 P CA 0.658 63.779 63.100 0.033 0.000 0.826 245 P CB 0.623 32.339 31.700 0.026 0.000 1.237 246 T N 0.744 115.296 114.554 -0.002 0.000 2.885 246 T HA 0.384 4.734 4.350 0.000 0.000 0.285 246 T C -1.940 172.737 174.700 -0.038 0.000 1.019 246 T CA -2.139 59.945 62.100 -0.026 0.000 1.010 246 T CB 1.731 70.579 68.868 -0.033 0.000 1.022 246 T HN -0.279 nan 8.240 nan 0.000 0.466 247 P HA -0.119 nan 4.420 nan 0.000 0.216 247 P C 1.145 178.407 177.300 -0.063 0.000 1.154 247 P CA 1.436 64.485 63.100 -0.086 0.000 0.865 247 P CB 0.204 31.818 31.700 -0.143 0.000 0.789 248 K N -0.866 119.492 120.400 -0.070 0.000 2.148 248 K HA -0.042 4.278 4.320 0.000 0.000 0.204 248 K C 2.139 178.713 176.600 -0.043 0.000 1.050 248 K CA 1.376 57.624 56.287 -0.065 0.000 0.942 248 K CB -0.536 31.917 32.500 -0.078 0.000 0.724 248 K HN 0.067 nan 8.250 nan 0.000 0.446 249 A N 1.063 123.864 122.820 -0.032 0.000 1.898 249 A HA -0.095 4.225 4.320 0.000 0.000 0.216 249 A C 2.365 179.952 177.584 0.005 0.000 1.181 249 A CA 1.158 53.184 52.037 -0.018 0.000 0.620 249 A CB -0.601 18.391 19.000 -0.014 0.000 0.819 249 A HN 0.045 nan 8.150 nan 0.000 0.442 250 V N 0.203 120.133 119.914 0.025 0.000 2.287 250 V HA -0.291 3.829 4.120 0.000 0.000 0.248 250 V C 2.549 178.697 176.094 0.090 0.000 1.053 250 V CA 2.129 64.475 62.300 0.077 0.000 1.027 250 V CB -0.817 31.063 31.823 0.094 0.000 0.646 250 V HN 0.566 nan 8.190 nan 0.000 0.447 251 L N -0.191 121.059 121.223 0.044 0.000 2.141 251 L HA -0.141 4.199 4.340 0.000 0.000 0.209 251 L C 2.430 179.292 176.870 -0.014 0.000 1.094 251 L CA 1.456 56.307 54.840 0.018 0.000 0.763 251 L CB -0.627 41.418 42.059 -0.024 0.000 0.908 251 L HN 0.381 nan 8.230 nan 0.000 0.437 252 D N 0.631 121.013 120.400 -0.029 0.000 2.092 252 D HA -0.205 4.435 4.640 0.000 0.000 0.193 252 D C 2.308 178.578 176.300 -0.049 0.000 0.994 252 D CA 1.527 55.497 54.000 -0.050 0.000 0.828 252 D CB 0.101 40.874 40.800 -0.045 0.000 0.963 252 D HN 0.152 nan 8.370 nan 0.000 0.450 253 R N -1.107 119.382 120.500 -0.018 0.000 2.092 253 R HA -0.157 4.183 4.340 0.000 0.000 0.231 253 R C 2.420 178.711 176.300 -0.015 0.000 1.119 253 R CA 0.981 57.068 56.100 -0.022 0.000 0.970 253 R CB -0.574 29.723 30.300 -0.005 0.000 0.864 253 R HN 0.330 nan 8.270 nan 0.000 0.440 254 Y N 2.006 122.239 120.300 -0.112 0.000 2.128 254 Y HA -0.270 4.280 4.550 0.000 0.000 0.284 254 Y C 2.515 178.273 175.900 -0.237 0.000 1.154 254 Y CA 2.140 60.114 58.100 -0.211 0.000 1.149 254 Y CB -0.455 37.690 38.460 -0.525 0.000 0.976 254 Y HN 0.110 nan 8.280 nan 0.000 0.505 255 T N -1.852 112.493 114.554 -0.347 0.000 2.978 255 T HA -0.064 4.286 4.350 0.000 0.000 0.262 255 T C 2.053 176.564 174.700 -0.314 0.000 1.063 255 T CA 0.949 62.798 62.100 -0.419 0.000 1.140 255 T CB -0.433 68.269 68.868 -0.275 0.000 0.886 255 T HN 0.348 nan 8.240 nan 0.000 0.470 256 R N -0.373 120.010 120.500 -0.195 0.000 2.091 256 R HA -0.083 4.257 4.340 0.000 0.000 0.238 256 R C 2.179 178.413 176.300 -0.109 0.000 1.136 256 R CA 1.441 57.461 56.100 -0.133 0.000 0.959 256 R CB -0.501 29.749 30.300 -0.084 0.000 0.856 256 R HN 0.399 nan 8.270 nan 0.000 0.437 257 F N 0.998 120.745 119.950 -0.339 0.000 2.146 257 F HA -0.124 4.403 4.527 0.000 0.000 0.298 257 F C 2.164 177.705 175.800 -0.431 0.000 1.096 257 F CA 2.059 59.839 58.000 -0.366 0.000 1.275 257 F CB -0.544 38.222 39.000 -0.389 0.000 1.008 257 F HN 0.164 nan 8.300 nan 0.000 0.480 258 T N -2.720 111.432 114.554 -0.670 0.000 2.985 258 T HA 0.539 4.889 4.350 0.000 0.000 0.254 258 T C 0.700 175.042 174.700 -0.597 0.000 1.021 258 T CA 0.326 61.945 62.100 -0.801 0.000 0.957 258 T CB 0.124 68.339 68.868 -1.090 0.000 1.047 258 T HN 0.602 nan 8.240 nan 0.000 0.511 259 G N 1.299 109.790 108.800 -0.516 0.000 2.397 259 G HA2 0.271 4.231 3.960 0.000 0.000 0.453 259 G HA3 0.271 4.231 3.960 0.000 0.000 0.453 259 G C -1.483 173.176 174.900 -0.402 0.000 1.579 259 G CA -1.280 43.571 45.100 -0.415 0.000 0.906 259 G HN 0.306 nan 8.290 nan 0.000 0.675 260 R N 1.478 121.800 120.500 -0.296 0.000 2.357 260 R HA 0.462 4.802 4.340 0.000 0.000 0.296 260 R C -2.395 173.759 176.300 -0.243 0.000 1.052 260 R CA -1.930 54.027 56.100 -0.238 0.000 0.988 260 R CB 0.718 30.931 30.300 -0.146 0.000 1.025 260 R HN 0.321 nan 8.270 nan 0.000 0.469 261 P HA -0.060 nan 4.420 nan 0.000 0.264 261 P C -0.518 176.783 177.300 0.000 0.000 1.183 261 P CA 0.404 63.449 63.100 -0.092 0.000 0.763 261 P CB 0.488 32.199 31.700 0.018 0.000 0.807 262 A N 3.428 126.243 122.820 -0.009 0.000 2.332 262 A HA 0.383 4.703 4.320 0.000 0.000 0.258 262 A C -0.399 177.266 177.584 0.136 0.000 1.087 262 A CA -0.311 51.773 52.037 0.078 0.000 0.802 262 A CB -0.050 19.032 19.000 0.137 0.000 1.042 262 A HN 0.550 nan 8.150 nan 0.000 0.489 263 L N 2.637 123.935 121.223 0.125 0.000 2.261 263 L HA 0.489 4.829 4.340 0.000 0.000 0.289 263 L C -2.252 174.652 176.870 0.055 0.000 1.059 263 L CA -1.878 53.006 54.840 0.074 0.000 0.816 263 L CB 0.532 42.631 42.059 0.065 0.000 1.191 263 L HN 0.374 nan 8.230 nan 0.000 0.431 264 P HA 0.344 nan 4.420 nan 0.000 0.274 264 P C -2.738 174.680 177.300 0.196 0.000 1.246 264 P CA -1.420 61.651 63.100 -0.048 0.000 0.795 264 P CB -0.168 31.328 31.700 -0.341 0.000 1.006 265 P HA 0.036 nan 4.420 nan 0.000 0.271 265 P C 0.227 177.574 177.300 0.078 0.000 1.218 265 P CA 0.016 63.095 63.100 -0.035 0.000 0.780 265 P CB 0.603 32.040 31.700 -0.438 0.000 0.901 266 A N 4.257 127.110 122.820 0.055 0.000 1.978 266 A HA -0.163 4.157 4.320 0.000 0.000 0.220 266 A C 2.026 179.766 177.584 0.259 0.000 1.170 266 A CA 1.459 53.524 52.037 0.047 0.000 0.636 266 A CB -1.710 17.150 19.000 -0.234 0.000 0.810 266 A HN 0.830 nan 8.150 nan 0.000 0.448 267 W N 0.873 122.292 121.300 0.198 0.000 2.350 267 W HA -0.203 4.458 4.660 0.000 0.000 0.289 267 W C 1.902 178.560 176.519 0.232 0.000 1.215 267 W CA 1.438 58.869 57.345 0.144 0.000 1.236 267 W CB -1.504 27.987 29.460 0.052 0.000 1.130 267 W HN 0.536 nan 8.180 nan 0.000 0.541 268 S N 0.667 116.300 115.700 -0.111 0.000 2.469 268 S HA -0.196 4.274 4.470 0.000 0.000 0.238 268 S C 1.411 176.252 174.600 0.402 0.000 0.998 268 S CA 0.882 59.126 58.200 0.075 0.000 0.957 268 S CB -1.411 61.630 63.200 -0.266 0.000 0.764 268 S HN 0.236 nan 8.310 nan 0.000 0.514 269 F N 2.343 122.408 119.950 0.191 0.000 2.811 269 F HA 0.361 4.888 4.527 0.000 0.000 0.301 269 F C 1.926 177.805 175.800 0.131 0.000 1.151 269 F CA -0.205 57.806 58.000 0.018 0.000 1.412 269 F CB -0.478 38.506 39.000 -0.026 0.000 1.113 269 F HN 0.322 nan 8.300 nan 0.000 0.579 270 G N 0.244 109.255 108.800 0.353 0.000 2.553 270 G HA2 0.277 4.237 3.960 0.000 0.000 0.278 270 G HA3 0.277 4.237 3.960 0.000 0.000 0.278 270 G C -1.014 174.217 174.900 0.552 0.000 1.349 270 G CA -0.562 44.699 45.100 0.267 0.000 1.037 270 G HN 0.007 nan 8.290 nan 0.000 0.508 271 L N -0.073 121.582 121.223 0.720 0.000 2.278 271 L HA 0.483 4.823 4.340 0.000 0.000 0.287 271 L C -1.038 176.096 176.870 0.439 0.000 1.072 271 L CA -1.071 54.076 54.840 0.512 0.000 0.819 271 L CB 0.223 42.499 42.059 0.362 0.000 1.176 271 L HN 0.407 nan 8.230 nan 0.000 0.435 272 W N 6.268 127.659 121.300 0.153 0.000 2.365 272 W HA 0.564 5.224 4.660 0.000 0.000 0.316 272 W C -0.370 176.165 176.519 0.027 0.000 1.164 272 W CA -0.414 56.957 57.345 0.044 0.000 1.204 272 W CB 0.784 30.182 29.460 -0.104 0.000 1.213 272 W HN 0.327 nan 8.180 nan 0.000 0.539 273 L N 3.404 124.744 121.223 0.195 0.000 2.381 273 L HA 0.629 4.969 4.340 0.000 0.000 0.268 273 L C 0.055 176.880 176.870 -0.076 0.000 0.997 273 L CA -0.564 54.362 54.840 0.144 0.000 0.818 273 L CB 2.187 44.398 42.059 0.252 0.000 1.310 273 L HN 0.566 nan 8.230 nan 0.000 0.416 274 T N -1.767 112.750 114.554 -0.063 0.000 2.950 274 T HA 0.232 4.582 4.350 0.000 0.000 0.288 274 T C 1.228 175.772 174.700 -0.260 0.000 1.035 274 T CA 0.142 62.098 62.100 -0.239 0.000 1.028 274 T CB 1.593 70.591 68.868 0.217 0.000 1.109 274 T HN 0.765 nan 8.240 nan 0.000 0.514 275 T N -0.161 114.105 114.554 -0.480 0.000 2.802 275 T HA 0.014 4.364 4.350 0.000 0.000 0.269 275 T C 0.996 175.437 174.700 -0.433 0.000 1.062 275 T CA 0.936 62.787 62.100 -0.415 0.000 1.133 275 T CB -0.939 67.292 68.868 -1.062 0.000 0.852 275 T HN 1.220 nan 8.240 nan 0.000 0.485 276 S N -0.595 114.956 115.700 -0.247 0.000 3.960 276 S HA -0.137 4.333 4.470 0.000 0.000 0.671 276 S C -0.072 174.592 174.600 0.106 0.000 1.405 276 S CA -0.006 58.012 58.200 -0.304 0.000 1.519 276 S CB -1.457 61.402 63.200 -0.569 0.000 0.362 276 S HN 0.417 nan 8.310 nan 0.000 1.244 277 F N 2.065 122.001 119.950 -0.023 0.000 2.074 277 F HA 0.108 4.635 4.527 0.000 0.000 0.290 277 F C 2.493 178.458 175.800 0.276 0.000 1.118 277 F CA 2.252 60.419 58.000 0.278 0.000 1.199 277 F CB -0.965 38.253 39.000 0.362 0.000 1.012 277 F HN 0.753 nan 8.300 nan 0.000 0.472 278 T N -1.640 112.817 114.554 -0.162 0.000 3.134 278 T HA 0.183 4.533 4.350 0.000 0.000 0.260 278 T C 0.614 175.072 174.700 -0.402 0.000 1.027 278 T CA 0.241 62.012 62.100 -0.550 0.000 0.913 278 T CB -1.535 66.988 68.868 -0.576 0.000 1.046 278 T HN 0.313 nan 8.240 nan 0.000 0.553 279 T N 1.474 115.923 114.554 -0.175 0.000 2.903 279 T HA 0.187 4.537 4.350 0.000 0.000 0.314 279 T C -0.069 174.603 174.700 -0.046 0.000 1.078 279 T CA -0.585 61.466 62.100 -0.081 0.000 1.114 279 T CB 0.047 68.840 68.868 -0.125 0.000 0.987 279 T HN 0.123 nan 8.240 nan 0.000 0.548 280 N N 2.661 121.352 118.700 -0.015 0.000 2.555 280 N HA 0.274 5.014 4.740 0.000 0.000 0.244 280 N C -0.779 174.830 175.510 0.166 0.000 1.114 280 N CA -0.369 52.644 53.050 -0.062 0.000 0.963 280 N CB -0.205 38.237 38.487 -0.075 0.000 1.276 280 N HN 0.495 nan 8.380 nan 0.000 0.510 281 Y N 0.575 120.957 120.300 0.136 0.000 2.330 281 Y HA 0.406 4.956 4.550 0.000 0.000 0.341 281 Y C 0.894 176.861 175.900 0.111 0.000 1.278 281 Y CA -1.480 56.792 58.100 0.286 0.000 1.453 281 Y CB 0.203 39.044 38.460 0.634 0.000 1.342 281 Y HN 0.544 nan 8.280 nan 0.000 0.590 282 D N -3.104 117.513 120.400 0.361 0.000 2.983 282 D HA 0.073 4.713 4.640 0.000 0.000 0.269 282 D C 0.103 176.589 176.300 0.309 0.000 1.121 282 D CA -0.688 53.384 54.000 0.120 0.000 0.724 282 D CB 0.364 41.174 40.800 0.016 0.000 1.381 282 D HN 0.464 nan 8.370 nan 0.000 0.442 283 E N 0.386 120.746 120.200 0.267 0.000 2.085 283 E HA -0.218 4.132 4.350 0.000 0.000 0.194 283 E C 1.929 178.625 176.600 0.159 0.000 0.994 283 E CA 1.914 58.464 56.400 0.249 0.000 0.801 283 E CB -0.217 29.586 29.700 0.172 0.000 0.743 283 E HN 0.502 nan 8.360 nan 0.000 0.453 284 A N 0.072 122.963 122.820 0.119 0.000 1.855 284 A HA -0.166 4.154 4.320 0.000 0.000 0.215 284 A C 2.444 180.092 177.584 0.106 0.000 1.191 284 A CA 2.017 54.102 52.037 0.079 0.000 0.613 284 A CB -1.104 17.928 19.000 0.053 0.000 0.829 284 A HN 0.349 nan 8.150 nan 0.000 0.442 285 T N -0.192 114.462 114.554 0.167 0.000 2.665 285 T HA -0.168 4.182 4.350 0.000 0.000 0.268 285 T C 1.882 176.783 174.700 0.336 0.000 1.035 285 T CA 1.792 64.050 62.100 0.264 0.000 1.151 285 T CB -0.529 68.527 68.868 0.315 0.000 0.862 285 T HN 0.137 nan 8.240 nan 0.000 0.438 286 V N 2.380 122.459 119.914 0.274 0.000 2.295 286 V HA -0.188 3.932 4.120 0.000 0.000 0.246 286 V C 2.434 178.537 176.094 0.015 0.000 1.049 286 V CA 1.577 63.967 62.300 0.148 0.000 1.024 286 V CB -0.545 31.326 31.823 0.080 0.000 0.648 286 V HN 0.535 nan 8.190 nan 0.000 0.447 287 N N 0.393 119.099 118.700 0.011 0.000 2.289 287 N HA -0.142 4.598 4.740 0.000 0.000 0.184 287 N C 2.123 177.613 175.510 -0.034 0.000 1.016 287 N CA 1.696 54.722 53.050 -0.040 0.000 0.872 287 N CB -0.112 38.357 38.487 -0.029 0.000 0.973 287 N HN 0.650 nan 8.380 nan 0.000 0.433 288 S N 0.240 115.928 115.700 -0.020 0.000 2.383 288 S HA -0.046 4.424 4.470 0.000 0.000 0.227 288 S C 1.855 176.333 174.600 -0.203 0.000 1.026 288 S CA 0.606 58.720 58.200 -0.143 0.000 0.981 288 S CB -0.582 62.489 63.200 -0.215 0.000 0.818 288 S HN 0.177 nan 8.310 nan 0.000 0.472 289 F N 1.472 121.416 119.950 -0.011 0.000 2.206 289 F HA 0.282 4.809 4.527 0.000 0.000 0.298 289 F C 2.188 178.058 175.800 0.116 0.000 1.090 289 F CA 0.636 58.680 58.000 0.072 0.000 1.323 289 F CB -0.390 38.609 39.000 -0.001 0.000 1.028 289 F HN 0.170 nan 8.300 nan 0.000 0.492 290 I N -0.056 120.589 120.570 0.126 0.000 2.286 290 I HA -0.279 3.891 4.170 0.000 0.000 0.248 290 I C 1.843 177.971 176.117 0.017 0.000 1.115 290 I CA 1.242 62.562 61.300 0.034 0.000 1.392 290 I CB -0.415 37.505 38.000 -0.134 0.000 1.065 290 I HN 0.041 nan 8.210 nan 0.000 0.418 291 D N 0.857 121.239 120.400 -0.031 0.000 2.144 291 D HA -0.125 4.515 4.640 0.000 0.000 0.199 291 D C 2.246 178.482 176.300 -0.107 0.000 0.984 291 D CA 1.487 55.443 54.000 -0.073 0.000 0.834 291 D CB -0.573 40.166 40.800 -0.101 0.000 0.955 291 D HN 0.388 nan 8.370 nan 0.000 0.465 292 G N 0.536 109.269 108.800 -0.112 0.000 2.450 292 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 292 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 292 G C 1.548 176.282 174.900 -0.276 0.000 1.130 292 G CA 0.548 45.451 45.100 -0.328 0.000 0.760 292 G HN 0.128 nan 8.290 nan 0.000 0.557 293 M N 0.975 120.646 119.600 0.118 0.000 2.098 293 M HA 0.105 4.585 4.480 0.000 0.000 0.262 293 M C 3.065 179.385 176.300 0.034 0.000 1.072 293 M CA 1.360 56.776 55.300 0.193 0.000 1.133 293 M CB -1.240 31.501 32.600 0.234 0.000 1.344 293 M HN 0.301 nan 8.290 nan 0.000 0.414 294 A N 0.205 123.019 122.820 -0.011 0.000 1.902 294 A HA -0.170 4.150 4.320 0.000 0.000 0.217 294 A C 2.022 179.565 177.584 -0.068 0.000 1.181 294 A CA 1.731 53.746 52.037 -0.037 0.000 0.623 294 A CB -0.767 18.205 19.000 -0.047 0.000 0.818 294 A HN 0.577 nan 8.150 nan 0.000 0.443 295 E N -0.605 119.525 120.200 -0.118 0.000 2.204 295 E HA -0.146 4.204 4.350 0.000 0.000 0.195 295 E C 1.659 178.173 176.600 -0.142 0.000 0.990 295 E CA 0.973 57.285 56.400 -0.147 0.000 0.821 295 E CB -0.091 29.480 29.700 -0.214 0.000 0.750 295 E HN 0.519 nan 8.360 nan 0.000 0.477 296 R N 0.608 121.022 120.500 -0.143 0.000 2.388 296 R HA 0.132 4.472 4.340 0.000 0.000 0.247 296 R C -0.244 176.053 176.300 -0.005 0.000 0.931 296 R CA -0.095 55.954 56.100 -0.085 0.000 1.082 296 R CB 0.205 30.448 30.300 -0.095 0.000 1.135 296 R HN 0.072 nan 8.270 nan 0.000 0.525 297 N N 1.046 119.740 118.700 -0.009 0.000 2.740 297 N HA -0.190 4.550 4.740 0.000 0.000 0.248 297 N C -1.013 174.526 175.510 0.049 0.000 1.062 297 N CA 0.907 53.965 53.050 0.013 0.000 0.704 297 N CB -1.153 37.340 38.487 0.009 0.000 0.968 297 N HN 0.313 nan 8.380 nan 0.000 0.547 298 L N 0.700 121.965 121.223 0.071 0.000 2.272 298 L HA 0.361 4.701 4.340 0.000 0.000 0.284 298 L C -1.914 174.993 176.870 0.062 0.000 1.045 298 L CA -1.552 53.356 54.840 0.113 0.000 0.842 298 L CB 0.811 42.989 42.059 0.199 0.000 1.224 298 L HN -0.276 nan 8.230 nan 0.000 0.430 299 P HA 0.068 nan 4.420 nan 0.000 0.266 299 P C -0.876 176.269 177.300 -0.259 0.000 1.195 299 P CA 0.098 63.161 63.100 -0.062 0.000 0.768 299 P CB 0.765 32.523 31.700 0.096 0.000 0.838 300 L N 3.599 124.481 121.223 -0.568 0.000 2.526 300 L HA 0.287 4.627 4.340 0.000 0.000 0.263 300 L C -0.371 176.133 176.870 -0.609 0.000 0.943 300 L CA -0.343 54.196 54.840 -0.501 0.000 0.859 300 L CB 1.830 43.822 42.059 -0.111 0.000 1.313 300 L HN 0.555 nan 8.230 nan 0.000 0.406 301 H N 2.789 121.892 119.070 0.056 0.000 2.926 301 H HA 0.361 4.917 4.556 0.000 0.000 0.249 301 H C -0.391 174.859 175.328 -0.131 0.000 0.963 301 H CA -0.001 56.050 56.048 0.004 0.000 1.158 301 H CB 1.401 31.222 29.762 0.097 0.000 1.445 301 H HN 0.238 nan 8.280 nan 0.000 0.452 302 V N 1.171 121.010 119.914 -0.125 0.000 2.686 302 V HA 0.240 4.360 4.120 0.000 0.000 0.306 302 V C -1.532 174.455 176.094 -0.178 0.000 1.065 302 V CA -0.906 61.159 62.300 -0.393 0.000 0.894 302 V CB 2.459 33.573 31.823 -1.182 0.000 1.004 302 V HN 0.111 nan 8.190 nan 0.000 0.424 303 F N 3.706 123.498 119.950 -0.263 0.000 2.482 303 F HA 0.725 5.252 4.527 0.000 0.000 0.331 303 F C -0.391 175.323 175.800 -0.143 0.000 1.115 303 F CA -0.504 57.392 58.000 -0.173 0.000 0.955 303 F CB 1.492 40.381 39.000 -0.184 0.000 1.136 303 F HN 0.725 nan 8.300 nan 0.000 0.452 304 H N 5.292 123.714 119.070 -1.081 0.000 2.505 304 H HA 0.450 5.006 4.556 0.000 0.000 0.338 304 H C -1.678 173.110 175.328 -0.899 0.000 1.057 304 H CA -0.701 54.952 56.048 -0.659 0.000 1.202 304 H CB 0.819 30.357 29.762 -0.374 0.000 1.466 304 H HN 0.494 nan 8.280 nan 0.000 0.499 305 F N 4.095 123.556 119.950 -0.816 0.000 2.404 305 F HA 0.162 4.689 4.527 0.000 0.000 0.358 305 F C 0.775 176.217 175.800 -0.597 0.000 1.120 305 F CA -0.254 57.417 58.000 -0.548 0.000 1.144 305 F CB 0.681 39.527 39.000 -0.257 0.000 1.133 305 F HN 0.679 nan 8.300 nan 0.000 0.495 306 D N 1.302 121.599 120.400 -0.171 0.000 2.469 306 D HA 0.158 4.798 4.640 0.000 0.000 0.278 306 D C 1.112 177.559 176.300 0.246 0.000 1.231 306 D CA -0.345 53.729 54.000 0.123 0.000 1.075 306 D CB 0.808 41.809 40.800 0.334 0.000 1.121 306 D HN 0.572 nan 8.370 nan 0.000 0.571 307 C N -0.420 118.673 119.300 -0.345 0.000 2.396 307 C HA -0.167 4.293 4.460 0.000 0.000 0.277 307 C C 2.241 176.667 174.990 -0.939 0.000 1.231 307 C CA 0.441 58.645 59.018 -1.357 0.000 1.775 307 C CB -1.299 25.151 27.740 -2.151 0.000 2.036 307 C HN 0.464 nan 8.230 nan 0.000 0.484 308 F N 1.287 121.164 119.950 -0.122 0.000 2.769 308 F HA 0.042 4.569 4.527 0.000 0.000 0.304 308 F C 2.041 177.937 175.800 0.159 0.000 1.158 308 F CA -0.032 57.898 58.000 -0.117 0.000 1.398 308 F CB -0.685 38.023 39.000 -0.487 0.000 1.094 308 F HN 0.573 nan 8.300 nan 0.000 0.553 309 W N -0.444 121.108 121.300 0.420 0.000 2.425 309 W HA 0.017 4.677 4.660 0.000 0.000 0.277 309 W C 0.198 176.815 176.519 0.163 0.000 1.231 309 W CA 0.350 57.892 57.345 0.328 0.000 1.248 309 W CB -0.755 28.569 29.460 -0.227 0.000 1.117 309 W HN -0.018 nan 8.180 nan 0.000 0.568 310 M N 1.223 120.589 119.600 -0.391 0.000 2.494 310 M HA 0.287 4.767 4.480 0.000 0.000 0.300 310 M C 0.212 176.557 176.300 0.076 0.000 1.189 310 M CA -0.555 54.554 55.300 -0.317 0.000 0.982 310 M CB 1.692 33.953 32.600 -0.564 0.000 1.534 310 M HN -0.389 nan 8.290 nan 0.000 0.488 311 K N 0.883 121.322 120.400 0.065 0.000 2.218 311 K HA 0.458 4.778 4.320 0.000 0.000 0.276 311 K C -0.412 176.073 176.600 -0.193 0.000 1.022 311 K CA -0.480 55.819 56.287 0.021 0.000 0.946 311 K CB 1.001 33.510 32.500 0.014 0.000 1.000 311 K HN 0.730 nan 8.250 nan 0.000 0.468 312 A N 2.516 125.141 122.820 -0.326 0.000 2.565 312 A HA 0.068 4.388 4.320 0.000 0.000 0.237 312 A C -0.013 177.041 177.584 -0.882 0.000 1.053 312 A CA 0.244 51.743 52.037 -0.896 0.000 0.755 312 A CB -0.658 17.865 19.000 -0.796 0.000 0.980 312 A HN 0.790 nan 8.150 nan 0.000 0.506 313 F N -1.019 118.313 119.950 -1.029 0.000 2.748 313 F HA -0.258 4.269 4.527 0.000 0.000 0.370 313 F C 1.289 176.807 175.800 -0.470 0.000 0.620 313 F CA 1.741 59.323 58.000 -0.696 0.000 1.233 313 F CB -1.936 36.802 39.000 -0.437 0.000 1.708 313 F HN 0.747 nan 8.300 nan 0.000 0.298 314 Q N -1.461 118.143 119.800 -0.327 0.000 2.194 314 Q HA 0.059 4.399 4.340 0.000 0.000 0.214 314 Q C -0.017 176.029 176.000 0.077 0.000 0.838 314 Q CA -0.292 55.466 55.803 -0.074 0.000 0.972 314 Q CB 0.373 29.098 28.738 -0.021 0.000 1.131 314 Q HN 0.305 nan 8.270 nan 0.000 0.498 315 W N 0.803 122.060 121.300 -0.071 0.000 2.251 315 W HA 0.099 4.760 4.660 0.000 0.000 0.327 315 W C 0.210 176.847 176.519 0.198 0.000 1.361 315 W CA -1.616 55.745 57.345 0.027 0.000 1.234 315 W CB 0.019 29.516 29.460 0.061 0.000 1.212 315 W HN 0.035 nan 8.180 nan 0.000 0.557 316 C N 6.542 126.094 119.300 0.420 0.000 2.206 316 C HA 0.191 4.651 4.460 0.000 0.000 0.324 316 C C 1.096 176.054 174.990 -0.052 0.000 1.120 316 C CA -0.613 58.485 59.018 0.133 0.000 1.546 316 C CB -1.322 26.416 27.740 -0.004 0.000 2.023 316 C HN 0.661 nan 8.230 nan 0.000 0.448 317 D N 2.287 122.660 120.400 -0.045 0.000 2.369 317 D HA 0.075 4.715 4.640 0.000 0.000 0.211 317 D C 0.778 177.233 176.300 0.259 0.000 1.077 317 D CA -0.241 53.879 54.000 0.200 0.000 0.842 317 D CB -0.411 40.541 40.800 0.252 0.000 0.947 317 D HN 0.522 nan 8.370 nan 0.000 0.509 318 F N -0.370 119.615 119.950 0.057 0.000 2.914 318 F HA -0.206 4.321 4.527 0.000 0.000 0.304 318 F C 0.116 175.980 175.800 0.107 0.000 0.712 318 F CA 0.501 58.546 58.000 0.075 0.000 1.211 318 F CB -1.811 37.240 39.000 0.085 0.000 1.515 318 F HN -0.005 nan 8.300 nan 0.000 0.350 319 E N 0.510 120.789 120.200 0.130 0.000 2.146 319 E HA 0.139 4.489 4.350 0.000 0.000 0.282 319 E C -0.322 176.388 176.600 0.183 0.000 0.989 319 E CA -0.642 55.893 56.400 0.225 0.000 0.799 319 E CB 0.451 30.282 29.700 0.219 0.000 1.088 319 E HN 0.195 nan 8.360 nan 0.000 0.397 320 W N 2.173 123.715 121.300 0.404 0.000 2.295 320 W HA -0.063 4.597 4.660 0.000 0.000 0.335 320 W C 1.082 177.817 176.519 0.360 0.000 1.351 320 W CA 0.110 57.740 57.345 0.475 0.000 1.273 320 W CB 0.252 29.945 29.460 0.389 0.000 1.214 320 W HN 0.311 nan 8.180 nan 0.000 0.563 321 D N 6.074 126.831 120.400 0.595 0.000 2.426 321 D HA -0.055 4.585 4.640 0.000 0.000 0.261 321 D C -1.015 175.518 176.300 0.389 0.000 1.245 321 D CA -1.272 52.974 54.000 0.409 0.000 0.917 321 D CB 1.148 42.157 40.800 0.348 0.000 1.123 321 D HN 0.114 nan 8.370 nan 0.000 0.508 322 P HA -0.078 nan 4.420 nan 0.000 0.222 322 P C 1.746 179.124 177.300 0.130 0.000 1.153 322 P CA 0.583 63.809 63.100 0.210 0.000 0.798 322 P CB 0.408 32.205 31.700 0.162 0.000 0.796 323 L N -0.754 120.522 121.223 0.088 0.000 2.068 323 L HA -0.064 4.276 4.340 0.000 0.000 0.204 323 L C 2.513 179.363 176.870 -0.034 0.000 1.076 323 L CA 1.740 56.596 54.840 0.027 0.000 0.753 323 L CB -1.644 40.424 42.059 0.015 0.000 0.910 323 L HN -0.040 nan 8.230 nan 0.000 0.439 324 T N -0.631 113.864 114.554 -0.098 0.000 2.857 324 T HA -0.045 4.305 4.350 0.000 0.000 0.266 324 T C 0.274 174.650 174.700 -0.540 0.000 1.048 324 T CA 1.082 62.947 62.100 -0.391 0.000 1.139 324 T CB -0.090 68.407 68.868 -0.618 0.000 0.874 324 T HN -0.011 nan 8.240 nan 0.000 0.455 325 F N 1.565 121.650 119.950 0.224 0.000 2.449 325 F HA 0.354 4.881 4.527 0.000 0.000 0.329 325 F C -1.817 174.044 175.800 0.102 0.000 1.245 325 F CA -3.089 55.026 58.000 0.192 0.000 1.193 325 F CB 1.232 40.447 39.000 0.359 0.000 1.425 325 F HN -0.037 nan 8.300 nan 0.000 0.544 326 P HA -0.144 nan 4.420 nan 0.000 0.220 326 P C 0.267 177.602 177.300 0.058 0.000 1.148 326 P CA 1.380 64.541 63.100 0.101 0.000 0.803 326 P CB 0.524 32.260 31.700 0.060 0.000 0.782 327 D N -1.304 119.113 120.400 0.027 0.000 2.468 327 D HA 0.201 4.841 4.640 0.000 0.000 0.272 327 D C -1.963 174.226 176.300 -0.187 0.000 1.221 327 D CA -2.286 51.678 54.000 -0.061 0.000 0.860 327 D CB 0.540 41.316 40.800 -0.041 0.000 1.190 327 D HN -0.137 nan 8.370 nan 0.000 0.509 328 P HA -0.141 nan 4.420 nan 0.000 0.214 328 P C 1.251 178.160 177.300 -0.651 0.000 1.163 328 P CA 0.938 63.523 63.100 -0.858 0.000 0.883 328 P CB 0.399 31.086 31.700 -1.688 0.000 0.788 329 E N -0.481 119.453 120.200 -0.445 0.000 2.110 329 E HA -0.133 4.217 4.350 0.000 0.000 0.193 329 E C 2.203 178.669 176.600 -0.224 0.000 0.988 329 E CA 1.345 57.560 56.400 -0.308 0.000 0.804 329 E CB -0.957 28.618 29.700 -0.209 0.000 0.745 329 E HN 0.135 nan 8.360 nan 0.000 0.458 330 G N 1.489 110.182 108.800 -0.179 0.000 2.440 330 G HA2 -0.339 3.621 3.960 0.000 0.000 0.218 330 G HA3 -0.339 3.621 3.960 0.000 0.000 0.218 330 G C 1.557 176.388 174.900 -0.115 0.000 1.154 330 G CA 1.063 46.090 45.100 -0.121 0.000 0.767 330 G HN 0.350 nan 8.290 nan 0.000 0.552 331 M N 0.584 120.103 119.600 -0.136 0.000 2.067 331 M HA -0.054 4.426 4.480 0.000 0.000 0.260 331 M C 2.528 178.763 176.300 -0.108 0.000 1.069 331 M CA 2.208 57.454 55.300 -0.089 0.000 1.117 331 M CB -0.277 32.282 32.600 -0.069 0.000 1.334 331 M HN 0.278 nan 8.290 nan 0.000 0.407 332 I N -0.062 120.383 120.570 -0.208 0.000 2.286 332 I HA -0.231 3.939 4.170 0.000 0.000 0.248 332 I C 2.164 178.207 176.117 -0.123 0.000 1.115 332 I CA 1.661 62.862 61.300 -0.165 0.000 1.392 332 I CB -0.547 37.299 38.000 -0.256 0.000 1.065 332 I HN 0.274 nan 8.210 nan 0.000 0.418 333 R N 0.582 121.002 120.500 -0.135 0.000 2.092 333 R HA -0.076 4.264 4.340 0.000 0.000 0.231 333 R C 2.489 178.735 176.300 -0.091 0.000 1.119 333 R CA 1.394 57.427 56.100 -0.113 0.000 0.970 333 R CB -0.534 29.700 30.300 -0.110 0.000 0.864 333 R HN 0.442 nan 8.270 nan 0.000 0.440 334 R N 0.740 121.192 120.500 -0.080 0.000 2.091 334 R HA -0.068 4.272 4.340 0.000 0.000 0.238 334 R C 2.400 178.659 176.300 -0.068 0.000 1.136 334 R CA 1.217 57.278 56.100 -0.065 0.000 0.959 334 R CB -0.295 29.974 30.300 -0.050 0.000 0.856 334 R HN 0.175 nan 8.270 nan 0.000 0.437 335 L N 0.521 121.705 121.223 -0.065 0.000 2.046 335 L HA -0.216 4.124 4.340 0.000 0.000 0.208 335 L C 2.301 179.119 176.870 -0.088 0.000 1.077 335 L CA 1.516 56.311 54.840 -0.075 0.000 0.747 335 L CB -0.384 41.649 42.059 -0.043 0.000 0.896 335 L HN 0.171 nan 8.230 nan 0.000 0.432 336 K N 0.117 120.460 120.400 -0.095 0.000 2.097 336 K HA -0.135 4.185 4.320 0.000 0.000 0.206 336 K C 2.218 178.754 176.600 -0.106 0.000 1.049 336 K CA 1.254 57.470 56.287 -0.118 0.000 0.933 336 K CB -0.279 32.139 32.500 -0.137 0.000 0.717 336 K HN 0.270 nan 8.250 nan 0.000 0.442 337 A N 2.123 124.888 122.820 -0.091 0.000 2.032 337 A HA -0.209 4.111 4.320 0.000 0.000 0.221 337 A C 1.615 179.155 177.584 -0.073 0.000 1.165 337 A CA 1.539 53.529 52.037 -0.078 0.000 0.645 337 A CB -0.329 18.630 19.000 -0.069 0.000 0.807 337 A HN 0.247 nan 8.150 nan 0.000 0.453 338 K N -1.082 119.272 120.400 -0.076 0.000 2.525 338 K HA 0.205 4.525 4.320 0.000 0.000 0.192 338 K C 0.767 177.326 176.600 -0.069 0.000 1.029 338 K CA 0.449 56.693 56.287 -0.071 0.000 1.029 338 K CB -0.264 32.191 32.500 -0.076 0.000 0.814 338 K HN 0.730 nan 8.250 nan 0.000 0.503 339 G N 1.766 110.519 108.800 -0.078 0.000 2.325 339 G HA2 -0.223 3.738 3.960 0.000 0.000 0.248 339 G HA3 -0.223 3.738 3.960 0.000 0.000 0.248 339 G C -0.398 174.452 174.900 -0.085 0.000 1.108 339 G CA -0.377 44.679 45.100 -0.073 0.000 0.881 339 G HN 0.158 nan 8.290 nan 0.000 0.494 340 L N -0.407 120.741 121.223 -0.125 0.000 2.370 340 L HA 0.632 4.972 4.340 0.000 0.000 0.266 340 L C 0.212 176.929 176.870 -0.255 0.000 1.002 340 L CA -1.285 53.465 54.840 -0.149 0.000 0.818 340 L CB 1.842 43.840 42.059 -0.103 0.000 1.325 340 L HN -0.073 nan 8.230 nan 0.000 0.418 341 K N 2.648 122.822 120.400 -0.376 0.000 2.098 341 K HA 0.570 4.890 4.320 0.000 0.000 0.258 341 K C -0.843 175.525 176.600 -0.387 0.000 0.973 341 K CA -0.697 55.246 56.287 -0.573 0.000 0.898 341 K CB 2.190 34.007 32.500 -1.138 0.000 1.057 341 K HN 0.294 nan 8.250 nan 0.000 0.447 342 I N 1.400 121.765 120.570 -0.341 0.000 2.406 342 I HA 0.180 4.350 4.170 0.000 0.000 0.290 342 I C 0.052 176.038 176.117 -0.218 0.000 0.999 342 I CA -0.828 60.374 61.300 -0.163 0.000 1.124 342 I CB 1.320 39.280 38.000 -0.067 0.000 1.289 342 I HN 0.530 nan 8.210 nan 0.000 0.441 343 C N 7.635 126.851 119.300 -0.140 0.000 2.435 343 C HA 0.845 5.306 4.460 0.000 0.000 0.333 343 C C 0.019 175.002 174.990 -0.012 0.000 1.202 343 C CA -0.242 58.730 59.018 -0.076 0.000 1.830 343 C CB 0.951 28.742 27.740 0.085 0.000 2.326 343 C HN 0.652 nan 8.230 nan 0.000 0.507 344 V N 2.967 122.865 119.914 -0.027 0.000 2.823 344 V HA 0.649 4.769 4.120 0.000 0.000 0.312 344 V C -0.700 175.587 176.094 0.322 0.000 1.072 344 V CA -0.917 61.364 62.300 -0.032 0.000 0.937 344 V CB 1.370 32.938 31.823 -0.426 0.000 1.013 344 V HN 1.080 nan 8.190 nan 0.000 0.430 345 W N 5.555 126.969 121.300 0.190 0.000 2.210 345 W HA 0.616 5.276 4.660 0.000 0.000 0.330 345 W C -0.117 176.649 176.519 0.412 0.000 1.334 345 W CA 0.285 57.838 57.345 0.347 0.000 1.227 345 W CB 0.602 30.207 29.460 0.241 0.000 1.178 345 W HN 0.857 nan 8.180 nan 0.000 0.560 346 I N 3.481 123.831 120.570 -0.366 0.000 3.074 346 I HA 0.632 4.802 4.170 0.000 0.000 0.310 346 I C -0.980 174.501 176.117 -1.061 0.000 1.153 346 I CA -1.213 59.777 61.300 -0.515 0.000 0.993 346 I CB 2.267 40.247 38.000 -0.033 0.000 1.237 346 I HN 0.682 nan 8.210 nan 0.000 0.443 347 N N 1.561 119.866 118.700 -0.658 0.000 2.934 347 N HA 0.581 5.321 4.740 0.000 0.000 0.253 347 N C -2.760 172.672 175.510 -0.131 0.000 1.466 347 N CA -1.543 51.267 53.050 -0.401 0.000 0.858 347 N CB 2.650 40.805 38.487 -0.554 0.000 1.459 347 N HN 0.388 nan 8.380 nan 0.000 0.532 348 P HA 0.248 nan 4.420 nan 0.000 0.263 348 P C -1.216 176.208 177.300 0.206 0.000 1.448 348 P CA 0.227 63.211 63.100 -0.193 0.000 0.983 348 P CB -0.222 31.117 31.700 -0.601 0.000 1.481 349 Y N 0.100 120.577 120.300 0.295 0.000 2.567 349 Y HA 0.646 5.196 4.550 0.000 0.000 0.333 349 Y C 0.421 176.492 175.900 0.286 0.000 1.106 349 Y CA -2.516 55.728 58.100 0.239 0.000 1.157 349 Y CB 1.239 39.856 38.460 0.261 0.000 1.277 349 Y HN -0.261 nan 8.280 nan 0.000 0.490 350 I N 0.524 121.294 120.570 0.333 0.000 2.644 350 I HA 0.633 4.803 4.170 0.000 0.000 0.291 350 I C -0.162 176.143 176.117 0.312 0.000 1.180 350 I CA -0.581 60.890 61.300 0.284 0.000 1.040 350 I CB 1.635 39.697 38.000 0.104 0.000 1.255 350 I HN 0.765 nan 8.210 nan 0.000 0.422 351 G N 4.526 113.462 108.800 0.227 0.000 2.442 351 G HA2 0.085 4.045 3.960 0.000 0.000 0.249 351 G HA3 0.085 4.045 3.960 0.000 0.000 0.249 351 G C 0.343 175.196 174.900 -0.078 0.000 1.263 351 G CA -0.180 44.958 45.100 0.064 0.000 0.846 351 G HN 0.862 nan 8.290 nan 0.000 0.555 352 Q N 1.352 120.866 119.800 -0.475 0.000 2.181 352 Q HA -0.181 4.159 4.340 0.000 0.000 0.205 352 Q C 2.251 177.947 176.000 -0.506 0.000 0.980 352 Q CA 1.720 56.861 55.803 -1.103 0.000 0.862 352 Q CB -0.056 28.096 28.738 -0.976 0.000 0.905 352 Q HN 0.716 nan 8.270 nan 0.000 0.429 353 K N 0.256 120.495 120.400 -0.269 0.000 2.209 353 K HA -0.072 4.248 4.320 0.000 0.000 0.204 353 K C 0.572 177.143 176.600 -0.049 0.000 1.048 353 K CA 0.730 56.931 56.287 -0.142 0.000 0.940 353 K CB -0.090 32.357 32.500 -0.088 0.000 0.729 353 K HN 0.040 nan 8.250 nan 0.000 0.451 354 S N 0.896 116.599 115.700 0.005 0.000 2.549 354 S HA 0.089 4.559 4.470 0.000 0.000 0.286 354 S C -1.859 172.819 174.600 0.131 0.000 1.314 354 S CA -1.447 56.811 58.200 0.096 0.000 1.062 354 S CB 0.946 64.246 63.200 0.168 0.000 0.865 354 S HN 0.064 nan 8.310 nan 0.000 0.498 355 P HA -0.110 nan 4.420 nan 0.000 0.217 355 P C 1.224 178.625 177.300 0.169 0.000 1.148 355 P CA 0.800 63.978 63.100 0.130 0.000 0.828 355 P CB 0.040 31.816 31.700 0.126 0.000 0.783 356 V N -1.762 118.280 119.914 0.213 0.000 2.871 356 V HA -0.169 3.951 4.120 0.000 0.000 0.256 356 V C 2.010 178.190 176.094 0.142 0.000 1.082 356 V CA 0.992 63.431 62.300 0.231 0.000 1.105 356 V CB -1.305 30.740 31.823 0.370 0.000 0.713 356 V HN 0.032 nan 8.190 nan 0.000 0.473 357 F N 1.642 121.601 119.950 0.015 0.000 2.065 357 F HA -0.249 4.278 4.527 0.000 0.000 0.298 357 F C 2.487 178.244 175.800 -0.071 0.000 1.112 357 F CA 2.387 60.358 58.000 -0.049 0.000 1.212 357 F CB -0.179 38.797 39.000 -0.039 0.000 0.975 357 F HN -0.010 nan 8.300 nan 0.000 0.476 358 K N 0.379 120.901 120.400 0.204 0.000 2.097 358 K HA -0.268 4.052 4.320 0.000 0.000 0.206 358 K C 2.231 178.798 176.600 -0.056 0.000 1.049 358 K CA 1.740 58.073 56.287 0.077 0.000 0.933 358 K CB -0.393 32.165 32.500 0.098 0.000 0.717 358 K HN 0.508 nan 8.250 nan 0.000 0.442 359 E N 0.674 120.846 120.200 -0.046 0.000 2.058 359 E HA -0.218 4.132 4.350 0.000 0.000 0.194 359 E C 2.055 178.496 176.600 -0.267 0.000 0.997 359 E CA 1.324 57.666 56.400 -0.095 0.000 0.801 359 E CB -0.070 29.634 29.700 0.006 0.000 0.746 359 E HN 0.327 nan 8.360 nan 0.000 0.450 360 L N 0.458 121.468 121.223 -0.354 0.000 2.093 360 L HA -0.165 4.175 4.340 0.000 0.000 0.208 360 L C 2.949 179.553 176.870 -0.443 0.000 1.085 360 L CA 1.299 55.843 54.840 -0.493 0.000 0.755 360 L CB -0.515 41.230 42.059 -0.522 0.000 0.904 360 L HN 0.291 nan 8.230 nan 0.000 0.435 361 Q N 0.580 120.124 119.800 -0.426 0.000 2.050 361 Q HA -0.238 4.102 4.340 0.000 0.000 0.202 361 Q C 2.006 177.868 176.000 -0.230 0.000 0.980 361 Q CA 1.753 57.354 55.803 -0.336 0.000 0.840 361 Q CB 0.049 28.615 28.738 -0.287 0.000 0.898 361 Q HN 0.511 nan 8.270 nan 0.000 0.424 362 E N 0.117 120.194 120.200 -0.206 0.000 2.150 362 E HA -0.149 4.201 4.350 0.000 0.000 0.193 362 E C 1.812 178.281 176.600 -0.217 0.000 0.985 362 E CA 0.863 57.167 56.400 -0.160 0.000 0.814 362 E CB 0.113 29.744 29.700 -0.115 0.000 0.752 362 E HN 0.298 nan 8.360 nan 0.000 0.466 363 K N -0.470 119.699 120.400 -0.385 0.000 2.432 363 K HA 0.012 4.332 4.320 0.000 0.000 0.196 363 K C 0.997 177.323 176.600 -0.456 0.000 1.038 363 K CA 0.506 56.439 56.287 -0.589 0.000 0.986 363 K CB 0.397 32.148 32.500 -1.248 0.000 0.782 363 K HN 0.222 nan 8.250 nan 0.000 0.485 364 G N 0.917 109.554 108.800 -0.272 0.000 2.160 364 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 364 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 364 G C 0.151 175.112 174.900 0.101 0.000 1.022 364 G CA -0.049 45.021 45.100 -0.051 0.000 0.741 364 G HN 0.248 nan 8.290 nan 0.000 0.508 365 Y N -0.394 119.815 120.300 -0.152 0.000 2.490 365 Y HA 0.452 5.002 4.550 0.000 0.000 0.281 365 Y C 1.647 177.453 175.900 -0.157 0.000 1.174 365 Y CA -0.511 57.502 58.100 -0.146 0.000 1.295 365 Y CB 0.012 38.356 38.460 -0.193 0.000 1.062 365 Y HN 0.328 nan 8.280 nan 0.000 0.522 366 L N 0.035 121.221 121.223 -0.062 0.000 2.330 366 L HA 0.361 4.701 4.340 0.000 0.000 0.271 366 L C -0.404 176.394 176.870 -0.119 0.000 1.013 366 L CA -1.389 53.352 54.840 -0.164 0.000 0.816 366 L CB 1.532 43.403 42.059 -0.313 0.000 1.287 366 L HN -0.211 nan 8.230 nan 0.000 0.435 367 L N 2.854 123.976 121.223 -0.169 0.000 2.499 367 L HA 0.139 4.479 4.340 0.000 0.000 0.273 367 L C -0.237 176.534 176.870 -0.165 0.000 1.195 367 L CA 0.654 55.335 54.840 -0.265 0.000 0.882 367 L CB -0.133 41.633 42.059 -0.488 0.000 1.133 367 L HN 0.470 nan 8.230 nan 0.000 0.483 368 K N 5.318 125.620 120.400 -0.163 0.000 2.156 368 K HA 0.520 4.840 4.320 0.000 0.000 0.250 368 K C -0.342 176.212 176.600 -0.078 0.000 0.955 368 K CA -0.917 55.324 56.287 -0.077 0.000 0.855 368 K CB 1.613 34.087 32.500 -0.044 0.000 1.101 368 K HN 0.574 nan 8.250 nan 0.000 0.434 369 R N 1.094 121.595 120.500 0.001 0.000 2.637 369 R HA 0.073 4.413 4.340 0.000 0.000 0.269 369 R C -1.754 174.542 176.300 -0.008 0.000 1.089 369 R CA -1.635 54.475 56.100 0.017 0.000 1.177 369 R CB -0.159 30.172 30.300 0.051 0.000 1.091 369 R HN 0.316 nan 8.270 nan 0.000 0.540 370 P HA -0.158 nan 4.420 nan 0.000 0.221 370 P C 0.189 177.490 177.300 0.003 0.000 1.145 370 P CA 1.233 64.334 63.100 0.001 0.000 0.795 370 P CB 0.046 31.754 31.700 0.012 0.000 0.775 371 D N -1.925 118.478 120.400 0.004 0.000 2.340 371 D HA 0.083 4.723 4.640 0.000 0.000 0.220 371 D C 1.467 177.767 176.300 -0.001 0.000 1.039 371 D CA 0.541 54.542 54.000 0.003 0.000 0.866 371 D CB -0.893 39.909 40.800 0.003 0.000 0.913 371 D HN 0.208 nan 8.370 nan 0.000 0.523 372 G N 0.083 108.882 108.800 -0.003 0.000 2.199 372 G HA2 -0.300 3.661 3.960 0.000 0.000 0.254 372 G HA3 -0.300 3.661 3.960 0.000 0.000 0.254 372 G C 0.486 175.381 174.900 -0.009 0.000 0.982 372 G CA 0.443 45.541 45.100 -0.004 0.000 0.632 372 G HN 0.800 nan 8.290 nan 0.000 0.529 373 S N 0.380 116.075 115.700 -0.008 0.000 2.614 373 S HA 0.706 5.176 4.470 0.000 0.000 0.265 373 S C 0.619 175.212 174.600 -0.012 0.000 1.303 373 S CA -0.736 57.457 58.200 -0.012 0.000 1.000 373 S CB 1.357 64.547 63.200 -0.016 0.000 0.935 373 S HN 0.676 nan 8.310 nan 0.000 0.551 374 L N 0.678 121.893 121.223 -0.014 0.000 2.397 374 L HA 0.247 4.587 4.340 0.000 0.000 0.271 374 L C 0.122 176.997 176.870 0.007 0.000 1.148 374 L CA -0.650 54.186 54.840 -0.006 0.000 0.825 374 L CB 0.223 42.280 42.059 -0.002 0.000 1.117 374 L HN 0.813 nan 8.230 nan 0.000 0.456 375 W N 4.036 125.248 121.300 -0.146 0.000 2.303 375 W HA 0.223 4.883 4.660 0.000 0.000 0.318 375 W C -0.310 176.118 176.519 -0.152 0.000 1.362 375 W CA 0.137 57.376 57.345 -0.176 0.000 1.234 375 W CB 0.391 29.690 29.460 -0.268 0.000 1.248 375 W HN 0.445 nan 8.180 nan 0.000 0.546 376 Q N 5.553 124.847 119.800 -0.843 0.000 2.377 376 Q HA 0.361 4.701 4.340 0.000 0.000 0.279 376 Q C -0.978 174.506 176.000 -0.860 0.000 1.049 376 Q CA -0.897 54.519 55.803 -0.645 0.000 0.825 376 Q CB 2.435 31.035 28.738 -0.229 0.000 1.401 376 Q HN 0.563 nan 8.270 nan 0.000 0.404 377 W N 0.360 121.268 121.300 -0.653 0.000 3.179 377 W HA 0.541 5.201 4.660 0.000 0.000 0.372 377 W C -0.842 175.563 176.519 -0.191 0.000 1.137 377 W CA -0.913 56.198 57.345 -0.389 0.000 1.100 377 W CB -0.125 29.128 29.460 -0.346 0.000 1.503 377 W HN 0.465 nan 8.180 nan 0.000 0.601 378 D N 0.159 120.571 120.400 0.019 0.000 2.431 378 D HA 0.105 4.745 4.640 0.000 0.000 0.213 378 D C -0.265 175.895 176.300 -0.232 0.000 1.130 378 D CA 0.043 53.982 54.000 -0.102 0.000 0.834 378 D CB 0.514 41.241 40.800 -0.122 0.000 0.985 378 D HN 0.151 nan 8.370 nan 0.000 0.504 379 K N 0.635 120.649 120.400 -0.643 0.000 2.401 379 K HA -0.015 4.305 4.320 0.000 0.000 0.278 379 K C 0.667 177.283 176.600 0.027 0.000 1.018 379 K CA -0.150 55.812 56.287 -0.542 0.000 0.981 379 K CB 1.439 33.228 32.500 -1.186 0.000 0.933 379 K HN 0.161 nan 8.250 nan 0.000 0.477 380 W N 0.607 121.902 121.300 -0.007 0.000 0.426 380 W HA -0.353 4.307 4.660 0.000 0.000 0.214 380 W C -0.884 175.716 176.519 0.135 0.000 0.914 380 W CA 1.449 58.883 57.345 0.149 0.000 0.347 380 W CB -0.523 29.051 29.460 0.189 0.000 1.904 380 W HN 0.553 nan 8.180 nan 0.000 1.103 381 Q N 0.878 120.698 119.800 0.033 0.000 2.394 381 Q HA 0.435 4.775 4.340 0.000 0.000 0.273 381 Q C -2.284 173.687 176.000 -0.047 0.000 1.089 381 Q CA -1.796 53.949 55.803 -0.097 0.000 0.812 381 Q CB 1.568 30.278 28.738 -0.047 0.000 1.353 381 Q HN -0.097 nan 8.270 nan 0.000 0.438 382 P HA 0.044 nan 4.420 nan 0.000 0.271 382 P C 0.402 177.597 177.300 -0.174 0.000 1.216 382 P CA 0.429 63.402 63.100 -0.211 0.000 0.771 382 P CB 0.282 31.747 31.700 -0.393 0.000 0.864 383 G N 3.119 111.837 108.800 -0.137 0.000 2.421 383 G HA2 -0.285 3.675 3.960 0.000 0.000 0.300 383 G HA3 -0.285 3.675 3.960 0.000 0.000 0.300 383 G C 0.031 174.908 174.900 -0.037 0.000 0.974 383 G CA -0.138 44.886 45.100 -0.126 0.000 1.062 383 G HN 0.642 nan 8.290 nan 0.000 0.514 384 L N 0.116 121.404 121.223 0.108 0.000 2.559 384 L HA 0.485 4.825 4.340 0.000 0.000 0.274 384 L C 0.819 177.825 176.870 0.227 0.000 1.205 384 L CA 0.425 55.405 54.840 0.233 0.000 0.907 384 L CB 0.339 42.623 42.059 0.375 0.000 1.153 384 L HN 0.525 nan 8.230 nan 0.000 0.490 385 A N 6.394 129.384 122.820 0.284 0.000 2.309 385 A HA 0.801 5.121 4.320 0.000 0.000 0.317 385 A C -0.700 176.935 177.584 0.085 0.000 1.134 385 A CA -0.737 51.408 52.037 0.180 0.000 0.866 385 A CB 1.018 20.068 19.000 0.084 0.000 1.329 385 A HN 0.703 nan 8.150 nan 0.000 0.477 386 I N 0.203 120.761 120.570 -0.019 0.000 2.465 386 I HA 0.250 4.420 4.170 0.000 0.000 0.291 386 I C -1.267 174.756 176.117 -0.157 0.000 1.014 386 I CA -0.451 60.829 61.300 -0.033 0.000 1.093 386 I CB 1.592 39.496 38.000 -0.160 0.000 1.267 386 I HN 0.614 nan 8.210 nan 0.000 0.431 387 Y N 3.607 123.816 120.300 -0.151 0.000 2.569 387 Y HA -0.030 4.520 4.550 0.000 0.000 0.332 387 Y C 0.793 176.430 175.900 -0.439 0.000 1.120 387 Y CA 0.052 57.929 58.100 -0.371 0.000 1.416 387 Y CB 0.081 38.153 38.460 -0.647 0.000 1.210 387 Y HN 0.436 nan 8.280 nan 0.000 0.528 388 D N 4.568 124.939 120.400 -0.048 0.000 2.435 388 D HA 0.011 4.651 4.640 0.000 0.000 0.230 388 D C 0.097 176.509 176.300 0.187 0.000 1.215 388 D CA 0.162 54.260 54.000 0.164 0.000 0.947 388 D CB -0.307 40.589 40.800 0.159 0.000 1.048 388 D HN 0.545 nan 8.370 nan 0.000 0.512 389 F N 0.929 121.067 119.950 0.313 0.000 2.802 389 F HA -0.065 4.462 4.527 0.000 0.000 0.300 389 F C 2.488 178.320 175.800 0.053 0.000 1.168 389 F CA 0.310 58.333 58.000 0.039 0.000 1.433 389 F CB 0.246 39.124 39.000 -0.202 0.000 1.115 389 F HN 0.326 nan 8.300 nan 0.000 0.582 390 T N -3.100 111.666 114.554 0.354 0.000 3.088 390 T HA -0.072 4.278 4.350 0.000 0.000 0.259 390 T C 0.816 175.678 174.700 0.270 0.000 1.122 390 T CA 0.009 62.288 62.100 0.298 0.000 1.095 390 T CB -0.346 68.738 68.868 0.361 0.000 0.930 390 T HN 0.001 nan 8.240 nan 0.000 0.508 391 N N 2.679 121.428 118.700 0.082 0.000 2.415 391 N HA 0.251 4.991 4.740 0.000 0.000 0.246 391 N C -2.116 173.208 175.510 -0.309 0.000 1.078 391 N CA -2.384 50.388 53.050 -0.463 0.000 0.942 391 N CB 1.729 39.890 38.487 -0.545 0.000 1.140 391 N HN 0.032 nan 8.380 nan 0.000 0.501 392 P HA -0.072 nan 4.420 nan 0.000 0.218 392 P C 0.394 177.597 177.300 -0.163 0.000 1.148 392 P CA 1.040 64.068 63.100 -0.120 0.000 0.822 392 P CB 0.436 32.110 31.700 -0.043 0.000 0.784 393 D N -0.663 119.577 120.400 -0.265 0.000 2.183 393 D HA -0.059 4.581 4.640 0.000 0.000 0.203 393 D C 1.976 177.869 176.300 -0.678 0.000 0.969 393 D CA 1.230 55.045 54.000 -0.309 0.000 0.842 393 D CB -0.551 40.162 40.800 -0.144 0.000 0.957 393 D HN 0.091 nan 8.370 nan 0.000 0.484 394 A N 0.604 122.929 122.820 -0.825 0.000 1.898 394 A HA -0.165 4.155 4.320 0.000 0.000 0.216 394 A C 2.523 180.086 177.584 -0.035 0.000 1.181 394 A CA 1.095 52.743 52.037 -0.649 0.000 0.620 394 A CB -0.877 17.945 19.000 -0.297 0.000 0.819 394 A HN 0.321 nan 8.150 nan 0.000 0.442 395 C N -0.747 118.566 119.300 0.022 0.000 2.429 395 C HA -0.059 4.401 4.460 0.000 0.000 0.277 395 C C 2.683 177.712 174.990 0.065 0.000 1.262 395 C CA 1.315 60.393 59.018 0.101 0.000 1.733 395 C CB -0.978 26.762 27.740 0.000 0.000 2.010 395 C HN 0.718 nan 8.230 nan 0.000 0.483 396 K N -0.612 119.793 120.400 0.008 0.000 2.026 396 K HA -0.237 4.083 4.320 0.000 0.000 0.208 396 K C 2.011 178.651 176.600 0.067 0.000 1.048 396 K CA 1.836 58.131 56.287 0.013 0.000 0.929 396 K CB -0.366 32.135 32.500 0.002 0.000 0.713 396 K HN 0.671 nan 8.250 nan 0.000 0.439 397 W N 0.446 121.707 121.300 -0.065 0.000 2.321 397 W HA -0.306 4.354 4.660 0.000 0.000 0.306 397 W C 1.963 178.477 176.519 -0.008 0.000 1.217 397 W CA 2.055 59.412 57.345 0.021 0.000 1.257 397 W CB -0.357 29.177 29.460 0.123 0.000 1.145 397 W HN 0.224 nan 8.180 nan 0.000 0.509 398 Y N 0.239 120.651 120.300 0.187 0.000 2.206 398 Y HA -0.050 4.500 4.550 0.000 0.000 0.292 398 Y C 2.392 178.096 175.900 -0.327 0.000 1.123 398 Y CA 2.371 60.454 58.100 -0.028 0.000 1.142 398 Y CB -0.893 37.647 38.460 0.134 0.000 1.006 398 Y HN -0.046 nan 8.280 nan 0.000 0.518 399 A N -0.019 122.786 122.820 -0.026 0.000 1.933 399 A HA -0.195 4.125 4.320 0.000 0.000 0.218 399 A C 1.816 179.240 177.584 -0.267 0.000 1.175 399 A CA 2.054 53.999 52.037 -0.153 0.000 0.628 399 A CB -0.717 18.224 19.000 -0.099 0.000 0.814 399 A HN 0.513 nan 8.150 nan 0.000 0.444 400 D N -0.287 119.941 120.400 -0.286 0.000 2.144 400 D HA -0.080 4.560 4.640 0.000 0.000 0.200 400 D C 1.874 177.905 176.300 -0.448 0.000 0.978 400 D CA 0.861 54.676 54.000 -0.309 0.000 0.833 400 D CB -0.121 40.511 40.800 -0.279 0.000 0.961 400 D HN 0.220 nan 8.370 nan 0.000 0.470 401 K N 0.541 120.507 120.400 -0.723 0.000 2.057 401 K HA -0.033 4.287 4.320 0.000 0.000 0.207 401 K C 2.341 178.496 176.600 -0.742 0.000 1.049 401 K CA 0.341 56.079 56.287 -0.915 0.000 0.931 401 K CB -0.492 31.023 32.500 -1.643 0.000 0.714 401 K HN 0.261 nan 8.250 nan 0.000 0.440 402 L N 0.850 121.627 121.223 -0.743 0.000 2.083 402 L HA -0.173 4.167 4.340 0.000 0.000 0.209 402 L C 2.414 179.190 176.870 -0.156 0.000 1.083 402 L CA 1.309 55.874 54.840 -0.458 0.000 0.752 402 L CB -0.367 41.370 42.059 -0.536 0.000 0.899 402 L HN 0.137 nan 8.230 nan 0.000 0.433 403 K N 0.153 120.440 120.400 -0.189 0.000 2.057 403 K HA -0.124 4.196 4.320 0.000 0.000 0.207 403 K C 2.182 178.731 176.600 -0.086 0.000 1.049 403 K CA 1.266 57.489 56.287 -0.107 0.000 0.931 403 K CB -0.534 31.892 32.500 -0.123 0.000 0.714 403 K HN 0.403 nan 8.250 nan 0.000 0.440 404 G N 1.532 110.258 108.800 -0.123 0.000 2.469 404 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 404 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 404 G C 1.461 176.354 174.900 -0.013 0.000 1.150 404 G CA 0.853 45.908 45.100 -0.075 0.000 0.763 404 G HN 0.120 nan 8.290 nan 0.000 0.561 405 L N -0.049 121.188 121.223 0.023 0.000 2.072 405 L HA -0.009 4.331 4.340 0.000 0.000 0.205 405 L C 2.972 179.853 176.870 0.018 0.000 1.079 405 L CA 0.224 55.114 54.840 0.083 0.000 0.752 405 L CB -0.412 41.756 42.059 0.182 0.000 0.906 405 L HN 0.076 nan 8.230 nan 0.000 0.436 406 V N 0.313 120.247 119.914 0.033 0.000 2.407 406 V HA -0.283 3.837 4.120 0.000 0.000 0.248 406 V C 2.722 178.776 176.094 -0.068 0.000 1.055 406 V CA 1.745 64.021 62.300 -0.040 0.000 1.049 406 V CB -0.902 30.913 31.823 -0.013 0.000 0.662 406 V HN 0.482 nan 8.190 nan 0.000 0.455 407 A N -1.166 121.622 122.820 -0.054 0.000 2.070 407 A HA -0.173 4.147 4.320 0.000 0.000 0.220 407 A C 2.165 179.703 177.584 -0.076 0.000 1.159 407 A CA 1.904 53.903 52.037 -0.063 0.000 0.656 407 A CB -0.480 18.487 19.000 -0.055 0.000 0.800 407 A HN 0.523 nan 8.150 nan 0.000 0.453 408 M N -1.922 117.629 119.600 -0.082 0.000 2.502 408 M HA 0.201 4.681 4.480 0.000 0.000 0.243 408 M C 1.188 177.402 176.300 -0.144 0.000 1.130 408 M CA 0.943 56.174 55.300 -0.115 0.000 1.055 408 M CB 0.472 33.004 32.600 -0.113 0.000 1.457 408 M HN 0.591 nan 8.290 nan 0.000 0.488 409 G N 0.112 108.831 108.800 -0.135 0.000 2.192 409 G HA2 -0.170 3.790 3.960 0.000 0.000 0.193 409 G HA3 -0.170 3.790 3.960 0.000 0.000 0.193 409 G C -0.075 174.713 174.900 -0.187 0.000 0.999 409 G CA -0.164 44.841 45.100 -0.158 0.000 0.659 409 G HN 0.247 nan 8.290 nan 0.000 0.503 410 V N 1.838 121.639 119.914 -0.190 0.000 2.585 410 V HA 0.210 4.330 4.120 0.000 0.000 0.296 410 V C 1.146 177.046 176.094 -0.323 0.000 1.035 410 V CA 0.836 62.976 62.300 -0.267 0.000 1.084 410 V CB 1.323 32.972 31.823 -0.290 0.000 0.953 410 V HN 0.316 nan 8.190 nan 0.000 0.483 411 D N 2.247 122.434 120.400 -0.355 0.000 2.301 411 D HA 0.117 4.757 4.640 0.000 0.000 0.206 411 D C 0.500 176.634 176.300 -0.277 0.000 0.979 411 D CA 1.015 54.834 54.000 -0.302 0.000 0.874 411 D CB 0.707 41.274 40.800 -0.388 0.000 0.968 411 D HN 0.779 nan 8.370 nan 0.000 0.510 412 C N -1.717 117.306 119.300 -0.461 0.000 3.284 412 C HA 0.753 5.213 4.460 0.000 0.000 0.348 412 C C -1.588 172.990 174.990 -0.686 0.000 1.448 412 C CA -1.339 57.446 59.018 -0.388 0.000 1.223 412 C CB 0.797 28.593 27.740 0.094 0.000 1.588 412 C HN -0.001 nan 8.230 nan 0.000 0.451 413 F N 0.311 120.316 119.950 0.092 0.000 2.601 413 F HA 0.618 5.145 4.527 0.000 0.000 0.309 413 F C -0.073 175.754 175.800 0.045 0.000 1.089 413 F CA -0.656 57.382 58.000 0.063 0.000 0.940 413 F CB 1.794 40.807 39.000 0.021 0.000 1.273 413 F HN 0.752 nan 8.300 nan 0.000 0.450 414 K N 1.890 122.421 120.400 0.218 0.000 2.268 414 K HA 0.255 4.575 4.320 0.000 0.000 0.276 414 K C -0.498 176.048 176.600 -0.089 0.000 1.080 414 K CA -0.318 55.968 56.287 -0.001 0.000 0.910 414 K CB 0.669 33.097 32.500 -0.120 0.000 1.163 414 K HN 0.756 nan 8.250 nan 0.000 0.465 415 T N 1.231 115.720 114.554 -0.108 0.000 3.185 415 T HA 0.080 4.430 4.350 0.000 0.000 0.287 415 T C -0.015 174.623 174.700 -0.104 0.000 1.051 415 T CA -0.785 61.213 62.100 -0.170 0.000 1.051 415 T CB 0.195 68.799 68.868 -0.440 0.000 1.034 415 T HN 0.381 nan 8.240 nan 0.000 0.685 416 D N 1.475 121.791 120.400 -0.140 0.000 2.348 416 D HA 0.528 5.168 4.640 0.000 0.000 0.249 416 D C 0.574 176.967 176.300 0.155 0.000 1.110 416 D CA -0.719 53.228 54.000 -0.088 0.000 0.967 416 D CB 0.306 41.044 40.800 -0.104 0.000 1.139 416 D HN 0.434 nan 8.370 nan 0.000 0.466 417 F N -0.160 119.753 119.950 -0.063 0.000 2.183 417 F HA -0.140 4.387 4.527 0.000 0.000 0.318 417 F C 1.726 177.583 175.800 0.095 0.000 0.129 417 F CA 1.180 59.160 58.000 -0.034 0.000 0.912 417 F CB -1.395 37.473 39.000 -0.220 0.000 4.135 417 F HN 0.579 nan 8.300 nan 0.000 0.137 418 G N -1.176 107.796 108.800 0.288 0.000 2.179 418 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 418 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 418 G C 0.482 175.549 174.900 0.278 0.000 0.990 418 G CA 0.664 45.965 45.100 0.336 0.000 0.646 418 G HN 0.730 nan 8.290 nan 0.000 0.517 419 E N 0.223 120.593 120.200 0.283 0.000 2.075 419 E HA 0.229 4.579 4.350 0.000 0.000 0.190 419 E C 1.724 178.328 176.600 0.006 0.000 0.969 419 E CA 0.340 56.822 56.400 0.138 0.000 0.815 419 E CB -0.037 29.823 29.700 0.266 0.000 0.776 419 E HN 0.392 nan 8.360 nan 0.000 0.457 420 R N 1.477 122.104 120.500 0.211 0.000 4.556 420 R HA 0.134 4.474 4.340 0.000 0.000 0.197 420 R C -0.535 175.712 176.300 -0.089 0.000 1.791 420 R CA -0.099 56.124 56.100 0.205 0.000 1.526 420 R CB -0.156 30.422 30.300 0.464 0.000 1.410 420 R HN 0.087 nan 8.270 nan 0.000 0.826 421 I N 3.917 124.351 120.570 -0.226 0.000 2.312 421 I HA 0.190 4.360 4.170 0.000 0.000 0.291 421 I C -1.668 174.357 176.117 -0.152 0.000 1.031 421 I CA -3.215 57.883 61.300 -0.338 0.000 1.293 421 I CB 0.556 38.334 38.000 -0.370 0.000 1.403 421 I HN 0.081 nan 8.210 nan 0.000 0.484 422 P HA 0.174 nan 4.420 nan 0.000 0.274 422 P C 0.524 177.739 177.300 -0.141 0.000 1.246 422 P CA -0.039 62.812 63.100 -0.415 0.000 0.795 422 P CB 0.773 31.820 31.700 -1.089 0.000 1.006 423 T N -4.537 110.029 114.554 0.020 0.000 3.001 423 T HA 0.028 4.378 4.350 0.000 0.000 0.251 423 T C 0.459 175.190 174.700 0.051 0.000 1.040 423 T CA -0.095 62.075 62.100 0.117 0.000 0.985 423 T CB -0.587 68.412 68.868 0.219 0.000 1.011 423 T HN 0.371 nan 8.240 nan 0.000 0.509 424 D N 3.037 123.444 120.400 0.011 0.000 2.994 424 D HA 0.308 4.948 4.640 0.000 0.000 0.240 424 D C 0.408 176.708 176.300 0.000 0.000 1.195 424 D CA -0.446 53.582 54.000 0.047 0.000 0.957 424 D CB -0.125 40.746 40.800 0.118 0.000 1.105 424 D HN 0.511 nan 8.370 nan 0.000 0.477 425 V N -3.808 116.056 119.914 -0.085 0.000 3.206 425 V HA 0.551 4.671 4.120 0.000 0.000 0.305 425 V C -1.259 174.734 176.094 -0.169 0.000 1.257 425 V CA -1.166 61.013 62.300 -0.203 0.000 1.057 425 V CB 2.193 33.706 31.823 -0.516 0.000 1.075 425 V HN 0.132 nan 8.190 nan 0.000 0.443 426 Q N 0.961 120.640 119.800 -0.202 0.000 2.339 426 Q HA 0.416 4.756 4.340 0.000 0.000 0.268 426 Q C -1.750 174.173 176.000 -0.129 0.000 1.027 426 Q CA -0.496 55.255 55.803 -0.087 0.000 0.759 426 Q CB 1.517 30.241 28.738 -0.023 0.000 1.244 426 Q HN 0.820 nan 8.270 nan 0.000 0.464 427 W N 2.832 124.163 121.300 0.050 0.000 2.170 427 W HA 0.095 4.755 4.660 0.000 0.000 0.336 427 W C 1.172 177.762 176.519 0.118 0.000 1.283 427 W CA -0.491 56.912 57.345 0.097 0.000 1.224 427 W CB 0.357 29.881 29.460 0.107 0.000 1.132 427 W HN 0.724 nan 8.180 nan 0.000 0.571 428 F N 2.630 122.763 119.950 0.304 0.000 2.091 428 F HA -0.358 4.169 4.527 0.000 0.000 0.299 428 F C 2.210 178.119 175.800 0.182 0.000 1.103 428 F CA 2.468 60.586 58.000 0.197 0.000 1.228 428 F CB -0.149 38.963 39.000 0.188 0.000 0.984 428 F HN 0.403 nan 8.300 nan 0.000 0.477 429 D N -0.790 119.794 120.400 0.307 0.000 2.349 429 D HA 0.088 4.728 4.640 0.000 0.000 0.224 429 D C 1.725 178.082 176.300 0.095 0.000 1.029 429 D CA 0.827 54.921 54.000 0.158 0.000 0.879 429 D CB -0.681 40.260 40.800 0.233 0.000 0.906 429 D HN 0.481 nan 8.370 nan 0.000 0.528 430 G N 0.127 109.010 108.800 0.138 0.000 2.153 430 G HA2 -0.309 3.651 3.960 0.000 0.000 0.252 430 G HA3 -0.309 3.651 3.960 0.000 0.000 0.252 430 G C 0.388 175.366 174.900 0.130 0.000 0.994 430 G CA 0.405 45.577 45.100 0.121 0.000 0.698 430 G HN 0.466 nan 8.290 nan 0.000 0.521 431 S N 0.012 115.791 115.700 0.130 0.000 2.563 431 S HA 0.278 4.748 4.470 0.000 0.000 0.269 431 S C 0.453 175.108 174.600 0.092 0.000 1.364 431 S CA 0.175 58.392 58.200 0.029 0.000 1.010 431 S CB 0.884 64.001 63.200 -0.139 0.000 0.877 431 S HN 0.463 nan 8.310 nan 0.000 0.549 432 D N 1.403 121.823 120.400 0.034 0.000 2.363 432 D HA 0.167 4.807 4.640 0.000 0.000 0.263 432 D C -1.677 174.705 176.300 0.137 0.000 1.258 432 D CA -2.060 51.993 54.000 0.088 0.000 0.907 432 D CB 0.893 41.727 40.800 0.056 0.000 1.107 432 D HN 0.039 nan 8.370 nan 0.000 0.495 433 P HA -0.147 nan 4.420 nan 0.000 0.218 433 P C 1.195 178.690 177.300 0.324 0.000 1.148 433 P CA 0.946 64.284 63.100 0.396 0.000 0.822 433 P CB 0.298 32.207 31.700 0.348 0.000 0.784 434 Q N -0.308 119.652 119.800 0.266 0.000 2.224 434 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 434 Q C 1.789 177.985 176.000 0.328 0.000 0.970 434 Q CA 1.338 57.340 55.803 0.333 0.000 0.865 434 Q CB -0.341 28.534 28.738 0.229 0.000 0.922 434 Q HN 0.431 nan 8.270 nan 0.000 0.445 435 K N -0.582 119.928 120.400 0.183 0.000 2.262 435 K HA 0.129 4.449 4.320 0.000 0.000 0.200 435 K C 1.916 178.566 176.600 0.083 0.000 1.049 435 K CA 0.207 56.556 56.287 0.104 0.000 0.979 435 K CB 0.153 32.634 32.500 -0.031 0.000 0.773 435 K HN 0.091 nan 8.250 nan 0.000 0.474 436 M N 0.335 119.956 119.600 0.034 0.000 2.394 436 M HA -0.100 4.380 4.480 0.000 0.000 0.264 436 M C 1.927 178.269 176.300 0.070 0.000 1.073 436 M CA 1.457 56.712 55.300 -0.075 0.000 1.111 436 M CB -0.814 31.461 32.600 -0.542 0.000 1.401 436 M HN 0.242 nan 8.290 nan 0.000 0.448 437 H N 1.213 120.294 119.070 0.018 0.000 2.289 437 H HA -0.147 4.409 4.556 0.000 0.000 0.296 437 H C 1.787 177.033 175.328 -0.137 0.000 1.091 437 H CA 2.469 58.423 56.048 -0.157 0.000 1.274 437 H CB 0.203 29.611 29.762 -0.590 0.000 1.364 437 H HN 0.294 nan 8.280 nan 0.000 0.490 438 N N -0.781 117.926 118.700 0.012 0.000 2.207 438 N HA -0.130 4.610 4.740 0.000 0.000 0.182 438 N C 1.909 177.546 175.510 0.211 0.000 1.020 438 N CA 1.298 54.407 53.050 0.099 0.000 0.858 438 N CB -0.673 37.969 38.487 0.259 0.000 0.991 438 N HN 0.491 nan 8.380 nan 0.000 0.427 439 H N -0.116 119.034 119.070 0.134 0.000 2.456 439 H HA -0.084 4.472 4.556 0.000 0.000 0.296 439 H C 1.767 177.207 175.328 0.187 0.000 1.079 439 H CA 1.237 57.379 56.048 0.157 0.000 1.322 439 H CB -0.353 29.440 29.762 0.051 0.000 1.388 439 H HN 0.244 nan 8.280 nan 0.000 0.538 440 Y N 0.448 120.738 120.300 -0.018 0.000 2.096 440 Y HA -0.379 4.171 4.550 0.000 0.000 0.278 440 Y C 2.635 178.587 175.900 0.087 0.000 1.192 440 Y CA 2.143 60.241 58.100 -0.004 0.000 1.143 440 Y CB -0.815 37.657 38.460 0.021 0.000 0.963 440 Y HN 0.345 nan 8.280 nan 0.000 0.505 441 A N -0.704 122.290 122.820 0.290 0.000 1.927 441 A HA -0.323 3.997 4.320 0.000 0.000 0.220 441 A C 2.117 179.783 177.584 0.136 0.000 1.185 441 A CA 2.059 54.259 52.037 0.271 0.000 0.639 441 A CB -1.596 17.556 19.000 0.254 0.000 0.820 441 A HN 0.756 nan 8.150 nan 0.000 0.451 442 Y N 0.271 120.529 120.300 -0.071 0.000 2.133 442 Y HA -0.173 4.377 4.550 0.000 0.000 0.287 442 Y C 2.117 177.880 175.900 -0.229 0.000 1.134 442 Y CA 1.673 59.700 58.100 -0.122 0.000 1.133 442 Y CB -0.118 38.191 38.460 -0.253 0.000 0.987 442 Y HN 0.231 nan 8.280 nan 0.000 0.502 443 I N 0.099 120.485 120.570 -0.306 0.000 2.163 443 I HA -0.347 3.823 4.170 0.000 0.000 0.243 443 I C 2.387 178.174 176.117 -0.550 0.000 1.085 443 I CA 1.736 62.802 61.300 -0.391 0.000 1.347 443 I CB -1.741 36.076 38.000 -0.306 0.000 1.044 443 I HN 0.438 nan 8.210 nan 0.000 0.408 444 Y N 2.352 122.236 120.300 -0.694 0.000 2.030 444 Y HA -0.343 4.207 4.550 0.000 0.000 0.274 444 Y C 2.635 178.182 175.900 -0.588 0.000 1.153 444 Y CA 1.971 59.615 58.100 -0.759 0.000 1.115 444 Y CB -0.226 37.991 38.460 -0.406 0.000 0.969 444 Y HN 0.219 nan 8.280 nan 0.000 0.488 445 N N 0.500 118.812 118.700 -0.646 0.000 2.104 445 N HA -0.246 4.494 4.740 0.000 0.000 0.190 445 N C 1.842 176.821 175.510 -0.884 0.000 1.024 445 N CA 1.675 54.317 53.050 -0.680 0.000 0.853 445 N CB -0.451 37.810 38.487 -0.376 0.000 1.008 445 N HN 0.609 nan 8.380 nan 0.000 0.424 446 E N 1.437 120.980 120.200 -1.095 0.000 2.085 446 E HA -0.177 4.173 4.350 0.000 0.000 0.194 446 E C 2.222 178.393 176.600 -0.715 0.000 0.994 446 E CA 0.724 56.332 56.400 -1.320 0.000 0.801 446 E CB -0.116 29.005 29.700 -0.964 0.000 0.743 446 E HN 0.293 nan 8.360 nan 0.000 0.453 447 L N 0.447 121.319 121.223 -0.585 0.000 2.017 447 L HA -0.170 4.170 4.340 0.000 0.000 0.208 447 L C 2.369 179.040 176.870 -0.331 0.000 1.073 447 L CA 1.265 55.844 54.840 -0.435 0.000 0.745 447 L CB -0.228 41.490 42.059 -0.568 0.000 0.894 447 L HN 0.084 nan 8.230 nan 0.000 0.432 448 V N -0.481 119.223 119.914 -0.350 0.000 2.343 448 V HA -0.337 3.783 4.120 0.000 0.000 0.247 448 V C 2.206 178.219 176.094 -0.136 0.000 1.051 448 V CA 2.343 64.504 62.300 -0.232 0.000 1.036 448 V CB -1.029 30.646 31.823 -0.247 0.000 0.654 448 V HN 0.725 nan 8.190 nan 0.000 0.451 449 W N 1.275 122.330 121.300 -0.409 0.000 2.318 449 W HA -0.237 4.423 4.660 0.000 0.000 0.313 449 W C 2.312 178.707 176.519 -0.208 0.000 1.221 449 W CA 2.112 59.262 57.345 -0.324 0.000 1.266 449 W CB -0.334 28.759 29.460 -0.611 0.000 1.150 449 W HN 0.346 nan 8.180 nan 0.000 0.496 450 N N 0.327 118.956 118.700 -0.118 0.000 2.309 450 N HA -0.140 4.600 4.740 0.000 0.000 0.182 450 N C 1.689 177.111 175.510 -0.147 0.000 1.018 450 N CA 1.374 54.352 53.050 -0.119 0.000 0.876 450 N CB -0.757 37.678 38.487 -0.087 0.000 0.972 450 N HN 0.040 nan 8.380 nan 0.000 0.434 451 V N 1.034 120.859 119.914 -0.148 0.000 2.295 451 V HA -0.184 3.936 4.120 0.000 0.000 0.246 451 V C 2.234 178.262 176.094 -0.110 0.000 1.049 451 V CA 1.110 63.341 62.300 -0.115 0.000 1.024 451 V CB -0.350 31.409 31.823 -0.108 0.000 0.648 451 V HN 0.167 nan 8.190 nan 0.000 0.447 452 L N -0.249 120.882 121.223 -0.153 0.000 2.017 452 L HA -0.148 4.192 4.340 0.000 0.000 0.208 452 L C 2.359 179.067 176.870 -0.271 0.000 1.073 452 L CA 1.811 56.523 54.840 -0.214 0.000 0.745 452 L CB -1.112 40.746 42.059 -0.335 0.000 0.894 452 L HN 0.269 nan 8.230 nan 0.000 0.432 453 K N -0.490 119.693 120.400 -0.361 0.000 2.044 453 K HA -0.208 4.112 4.320 0.000 0.000 0.210 453 K C 1.486 178.005 176.600 -0.135 0.000 1.049 453 K CA 1.744 57.880 56.287 -0.251 0.000 0.927 453 K CB -0.119 32.271 32.500 -0.183 0.000 0.713 453 K HN 0.296 nan 8.250 nan 0.000 0.443 454 D N -0.879 119.452 120.400 -0.116 0.000 2.347 454 D HA -0.064 4.576 4.640 0.000 0.000 0.215 454 D C 1.568 177.826 176.300 -0.071 0.000 0.976 454 D CA 1.091 55.045 54.000 -0.077 0.000 0.884 454 D CB 0.258 41.016 40.800 -0.071 0.000 0.915 454 D HN 0.428 nan 8.370 nan 0.000 0.526 455 T N -2.479 112.027 114.554 -0.081 0.000 3.499 455 T HA -0.003 4.347 4.350 0.000 0.000 0.227 455 T C 1.962 176.622 174.700 -0.066 0.000 0.946 455 T CA 0.649 62.708 62.100 -0.067 0.000 1.368 455 T CB -0.701 68.130 68.868 -0.061 0.000 1.227 455 T HN -0.050 nan 8.240 nan 0.000 0.398 456 V N -0.081 119.788 119.914 -0.076 0.000 3.217 456 V HA 0.551 4.671 4.120 0.000 0.000 0.264 456 V C 1.252 177.314 176.094 -0.053 0.000 1.135 456 V CA 0.129 62.392 62.300 -0.062 0.000 1.142 456 V CB -1.552 30.236 31.823 -0.058 0.000 0.754 456 V HN 1.301 nan 8.190 nan 0.000 0.484 457 G N 0.284 109.038 108.800 -0.075 0.000 2.719 457 G HA2 -0.181 3.779 3.960 0.000 0.000 0.686 457 G HA3 -0.181 3.779 3.960 0.000 0.000 0.686 457 G C 0.086 174.930 174.900 -0.093 0.000 1.201 457 G CA 0.169 45.231 45.100 -0.063 0.000 0.768 457 G HN 0.466 nan 8.290 nan 0.000 0.629 458 E N 0.400 120.556 120.200 -0.075 0.000 2.114 458 E HA -0.275 4.075 4.350 0.000 0.000 0.199 458 E C 2.220 178.803 176.600 -0.028 0.000 1.008 458 E CA 2.431 58.790 56.400 -0.068 0.000 0.810 458 E CB 0.011 29.730 29.700 0.032 0.000 0.739 458 E HN 0.718 nan 8.360 nan 0.000 0.456 459 E N 0.382 120.593 120.200 0.018 0.000 2.333 459 E HA -0.152 4.198 4.350 0.000 0.000 0.198 459 E C 1.287 177.917 176.600 0.050 0.000 1.007 459 E CA 0.967 57.403 56.400 0.060 0.000 0.845 459 E CB -0.003 29.744 29.700 0.079 0.000 0.766 459 E HN 0.251 nan 8.360 nan 0.000 0.507 460 E N 0.194 120.403 120.200 0.016 0.000 2.481 460 E HA 0.264 4.614 4.350 0.000 0.000 0.198 460 E C -0.086 176.509 176.600 -0.009 0.000 1.027 460 E CA 0.186 56.634 56.400 0.080 0.000 0.900 460 E CB 0.558 30.336 29.700 0.131 0.000 0.993 460 E HN 0.257 nan 8.360 nan 0.000 0.482 461 A N 1.263 123.960 122.820 -0.206 0.000 2.409 461 A HA 0.444 4.764 4.320 0.000 0.000 0.267 461 A C -0.100 177.306 177.584 -0.296 0.000 1.127 461 A CA -0.184 51.551 52.037 -0.504 0.000 0.795 461 A CB 0.734 18.976 19.000 -1.263 0.000 1.061 461 A HN 0.025 nan 8.150 nan 0.000 0.502 462 V N 3.872 123.724 119.914 -0.103 0.000 3.147 462 V HA 0.641 4.761 4.120 0.000 0.000 0.299 462 V C -1.272 174.952 176.094 0.216 0.000 1.302 462 V CA -0.569 61.806 62.300 0.126 0.000 1.015 462 V CB 2.064 33.868 31.823 -0.032 0.000 1.086 462 V HN 0.889 nan 8.190 nan 0.000 0.437 463 L N 3.772 125.135 121.223 0.234 0.000 2.303 463 L HA 0.671 5.011 4.340 0.000 0.000 0.256 463 L C -1.571 175.401 176.870 0.169 0.000 1.034 463 L CA -0.667 54.283 54.840 0.184 0.000 0.832 463 L CB 2.347 44.476 42.059 0.116 0.000 1.403 463 L HN 0.499 nan 8.230 nan 0.000 0.419 464 F N 1.267 121.069 119.950 -0.246 0.000 2.347 464 F HA 0.603 5.130 4.527 0.000 0.000 0.366 464 F C 0.350 175.963 175.800 -0.312 0.000 1.107 464 F CA -0.989 56.768 58.000 -0.406 0.000 1.058 464 F CB 1.441 40.035 39.000 -0.676 0.000 1.236 464 F HN 0.345 nan 8.300 nan 0.000 0.456 465 A N 4.640 127.347 122.820 -0.189 0.000 2.304 465 A HA 0.576 4.896 4.320 0.000 0.000 0.323 465 A C 1.121 178.694 177.584 -0.017 0.000 1.195 465 A CA -0.581 51.350 52.037 -0.176 0.000 0.826 465 A CB 0.899 19.695 19.000 -0.341 0.000 1.184 465 A HN 0.864 nan 8.150 nan 0.000 0.496 466 R N 1.163 121.666 120.500 0.006 0.000 2.156 466 R HA 0.065 4.405 4.340 0.000 0.000 0.207 466 R C 0.591 176.884 176.300 -0.011 0.000 1.040 466 R CA 1.301 57.384 56.100 -0.027 0.000 1.013 466 R CB 0.098 30.292 30.300 -0.177 0.000 0.931 466 R HN 0.817 nan 8.270 nan 0.000 0.465 467 S N -0.959 114.802 115.700 0.102 0.000 2.689 467 S HA 0.864 5.335 4.470 0.000 0.000 0.306 467 S C -0.715 174.025 174.600 0.235 0.000 1.104 467 S CA -0.576 57.741 58.200 0.195 0.000 0.973 467 S CB 2.341 65.679 63.200 0.231 0.000 1.121 467 S HN 0.224 nan 8.310 nan 0.000 0.523 468 A N 0.160 123.109 122.820 0.214 0.000 2.612 468 A HA 0.876 5.196 4.320 0.000 0.000 0.293 468 A C -0.527 177.196 177.584 0.232 0.000 1.075 468 A CA -0.483 51.698 52.037 0.240 0.000 0.680 468 A CB 1.219 20.282 19.000 0.104 0.000 1.279 468 A HN 1.365 nan 8.150 nan 0.000 0.411 469 S N -0.609 115.264 115.700 0.288 0.000 2.705 469 S HA 0.643 5.113 4.470 0.000 0.000 0.280 469 S C -0.759 173.950 174.600 0.181 0.000 1.174 469 S CA -0.256 58.102 58.200 0.263 0.000 0.823 469 S CB 1.255 64.647 63.200 0.321 0.000 1.162 469 S HN 1.509 nan 8.310 nan 0.000 0.487 470 V N 2.635 122.520 119.914 -0.048 0.000 2.644 470 V HA 0.390 4.510 4.120 0.000 0.000 0.305 470 V C 1.805 177.711 176.094 -0.313 0.000 1.053 470 V CA 2.007 64.104 62.300 -0.339 0.000 1.186 470 V CB -0.105 31.095 31.823 -1.039 0.000 0.895 470 V HN 1.528 nan 8.190 nan 0.000 0.490 471 G N 4.256 112.839 108.800 -0.362 0.000 2.279 471 G HA2 -0.216 3.744 3.960 0.000 0.000 0.223 471 G HA3 -0.216 3.744 3.960 0.000 0.000 0.223 471 G C 0.991 175.733 174.900 -0.262 0.000 1.015 471 G CA 0.308 45.219 45.100 -0.314 0.000 0.621 471 G HN 1.382 nan 8.290 nan 0.000 0.506 472 A N 1.206 123.987 122.820 -0.065 0.000 2.168 472 A HA 0.178 4.498 4.320 0.000 0.000 0.215 472 A C 2.210 179.601 177.584 -0.323 0.000 1.152 472 A CA 2.102 54.108 52.037 -0.051 0.000 0.716 472 A CB -0.401 18.819 19.000 0.365 0.000 0.794 472 A HN 0.989 nan 8.150 nan 0.000 0.465 473 Q N 0.983 120.314 119.800 -0.782 0.000 2.376 473 Q HA -0.217 4.123 4.340 0.000 0.000 0.211 473 Q C 1.087 176.730 176.000 -0.595 0.000 0.986 473 Q CA 1.822 57.078 55.803 -0.911 0.000 0.886 473 Q CB -0.601 27.280 28.738 -1.428 0.000 0.927 473 Q HN 0.664 nan 8.270 nan 0.000 0.457 474 K N -0.017 119.868 120.400 -0.857 0.000 2.442 474 K HA -0.051 4.269 4.320 0.000 0.000 0.198 474 K C -0.233 175.656 176.600 -1.185 0.000 1.044 474 K CA 0.654 56.339 56.287 -1.002 0.000 0.948 474 K CB 0.018 31.780 32.500 -1.229 0.000 0.762 474 K HN 0.191 nan 8.250 nan 0.000 0.472 475 F N 0.917 120.439 119.950 -0.714 0.000 2.542 475 F HA 0.274 4.801 4.527 0.000 0.000 0.323 475 F C -2.344 173.144 175.800 -0.520 0.000 1.411 475 F CA -3.695 53.618 58.000 -1.146 0.000 1.124 475 F CB 0.071 38.642 39.000 -0.717 0.000 1.331 475 F HN -0.168 nan 8.300 nan 0.000 0.560 476 P HA 0.157 nan 4.420 nan 0.000 0.272 476 P C -0.115 177.125 177.300 -0.099 0.000 1.240 476 P CA 0.034 63.094 63.100 -0.067 0.000 0.791 476 P CB 2.051 33.739 31.700 -0.021 0.000 0.978 477 V N 1.427 121.190 119.914 -0.252 0.000 2.732 477 V HA 0.264 4.384 4.120 0.000 0.000 0.310 477 V C 0.057 175.900 176.094 -0.418 0.000 1.053 477 V CA -0.518 61.583 62.300 -0.331 0.000 0.957 477 V CB 0.847 32.242 31.823 -0.713 0.000 1.018 477 V HN 0.541 nan 8.190 nan 0.000 0.452 478 H N 1.562 120.582 119.070 -0.083 0.000 2.473 478 H HA 0.389 4.945 4.556 0.000 0.000 0.327 478 H C -1.062 174.173 175.328 -0.155 0.000 1.105 478 H CA -0.093 55.932 56.048 -0.039 0.000 1.280 478 H CB 0.950 30.742 29.762 0.049 0.000 1.450 478 H HN 0.736 nan 8.280 nan 0.000 0.492 479 W N 3.551 124.651 121.300 -0.333 0.000 2.532 479 W HA 0.429 5.089 4.660 0.000 0.000 0.321 479 W C 0.667 177.016 176.519 -0.283 0.000 1.037 479 W CA -1.040 55.971 57.345 -0.556 0.000 1.220 479 W CB 1.247 30.346 29.460 -0.601 0.000 1.361 479 W HN 0.731 nan 8.180 nan 0.000 0.468 480 G N 3.440 111.697 108.800 -0.905 0.000 2.776 480 G HA2 0.355 4.315 3.960 0.000 0.000 0.209 480 G HA3 0.355 4.315 3.960 0.000 0.000 0.209 480 G C 0.651 175.225 174.900 -0.543 0.000 1.145 480 G CA 0.646 45.547 45.100 -0.331 0.000 0.791 480 G HN 1.386 nan 8.290 nan 0.000 0.530 481 G N -0.190 107.651 108.800 -1.599 0.000 2.582 481 G HA2 -0.151 3.809 3.960 0.000 0.000 0.222 481 G HA3 -0.151 3.809 3.960 0.000 0.000 0.222 481 G C -1.161 173.269 174.900 -0.782 0.000 1.311 481 G CA -0.400 43.979 45.100 -1.202 0.000 0.915 481 G HN 0.161 nan 8.290 nan 0.000 0.528 482 D N 0.364 120.612 120.400 -0.252 0.000 2.316 482 D HA 0.496 5.136 4.640 0.000 0.000 0.245 482 D C -0.018 176.366 176.300 0.142 0.000 1.171 482 D CA 0.350 54.324 54.000 -0.044 0.000 0.856 482 D CB 0.993 41.843 40.800 0.084 0.000 1.090 482 D HN 0.615 nan 8.370 nan 0.000 0.476 483 C N 2.743 122.170 119.300 0.211 0.000 2.507 483 C HA 0.376 4.836 4.460 0.000 0.000 0.319 483 C C 0.095 175.335 174.990 0.415 0.000 1.208 483 C CA -0.903 58.310 59.018 0.325 0.000 1.619 483 C CB 0.350 28.298 27.740 0.346 0.000 2.230 483 C HN 0.543 nan 8.230 nan 0.000 0.492 484 Y N 0.651 121.068 120.300 0.195 0.000 2.326 484 Y HA 0.396 4.946 4.550 0.000 0.000 0.333 484 Y C 0.915 176.948 175.900 0.222 0.000 1.240 484 Y CA -0.653 57.553 58.100 0.176 0.000 1.365 484 Y CB 0.658 39.207 38.460 0.149 0.000 1.289 484 Y HN 0.760 nan 8.280 nan 0.000 0.548 485 A N 3.497 126.482 122.820 0.275 0.000 2.910 485 A HA 0.371 4.691 4.320 0.000 0.000 0.316 485 A C -0.839 176.881 177.584 0.226 0.000 1.493 485 A CA -0.371 51.800 52.037 0.225 0.000 1.150 485 A CB -1.266 17.776 19.000 0.070 0.000 1.159 485 A HN 0.842 nan 8.150 nan 0.000 0.526 486 N N -1.706 117.186 118.700 0.320 0.000 2.927 486 N HA 0.371 5.111 4.740 0.000 0.000 0.248 486 N C -0.241 175.384 175.510 0.191 0.000 1.443 486 N CA -0.746 52.388 53.050 0.139 0.000 0.870 486 N CB 0.336 38.924 38.487 0.169 0.000 1.444 486 N HN -0.059 nan 8.380 nan 0.000 0.519 487 Y N -0.289 120.188 120.300 0.295 0.000 2.314 487 Y HA 0.083 4.633 4.550 0.000 0.000 0.293 487 Y C 1.652 177.680 175.900 0.212 0.000 1.129 487 Y CA 0.973 59.247 58.100 0.290 0.000 1.201 487 Y CB -0.262 38.389 38.460 0.317 0.000 0.999 487 Y HN 0.665 nan 8.280 nan 0.000 0.541 488 E N -0.568 119.806 120.200 0.289 0.000 2.051 488 E HA -0.185 4.165 4.350 0.000 0.000 0.192 488 E C 2.493 179.178 176.600 0.141 0.000 0.991 488 E CA 1.509 58.000 56.400 0.152 0.000 0.799 488 E CB -0.466 29.305 29.700 0.119 0.000 0.748 488 E HN 0.180 nan 8.360 nan 0.000 0.449 489 S N -0.214 115.608 115.700 0.203 0.000 2.368 489 S HA -0.198 4.272 4.470 0.000 0.000 0.225 489 S C 1.968 176.714 174.600 0.244 0.000 1.030 489 S CA 1.445 59.792 58.200 0.245 0.000 0.999 489 S CB -0.208 63.226 63.200 0.390 0.000 0.844 489 S HN 0.280 nan 8.310 nan 0.000 0.459 490 M N 0.816 120.486 119.600 0.116 0.000 2.080 490 M HA -0.111 4.369 4.480 0.000 0.000 0.260 490 M C 2.122 178.481 176.300 0.098 0.000 1.068 490 M CA 1.852 56.975 55.300 -0.296 0.000 1.109 490 M CB -0.445 31.878 32.600 -0.462 0.000 1.342 490 M HN 0.466 nan 8.290 nan 0.000 0.405 491 A N -0.112 122.791 122.820 0.139 0.000 1.930 491 A HA -0.176 4.144 4.320 0.000 0.000 0.217 491 A C 1.788 179.373 177.584 0.002 0.000 1.175 491 A CA 1.824 53.808 52.037 -0.089 0.000 0.627 491 A CB -0.757 17.967 19.000 -0.459 0.000 0.815 491 A HN 0.663 nan 8.150 nan 0.000 0.443 492 E N -0.021 120.222 120.200 0.072 0.000 2.085 492 E HA -0.144 4.206 4.350 0.000 0.000 0.194 492 E C 2.312 179.071 176.600 0.266 0.000 0.994 492 E CA 1.435 57.921 56.400 0.143 0.000 0.801 492 E CB -0.184 29.597 29.700 0.134 0.000 0.743 492 E HN 0.570 nan 8.360 nan 0.000 0.453 493 S N 0.965 116.841 115.700 0.294 0.000 2.359 493 S HA -0.166 4.304 4.470 0.000 0.000 0.224 493 S C 1.907 176.685 174.600 0.297 0.000 1.035 493 S CA 0.869 59.329 58.200 0.434 0.000 1.018 493 S CB -0.288 63.237 63.200 0.542 0.000 0.876 493 S HN 0.148 nan 8.310 nan 0.000 0.448 494 L N 2.383 123.739 121.223 0.220 0.000 2.042 494 L HA -0.105 4.235 4.340 0.000 0.000 0.210 494 L C 2.201 178.967 176.870 -0.174 0.000 1.076 494 L CA 1.714 56.566 54.840 0.019 0.000 0.749 494 L CB -0.594 41.436 42.059 -0.047 0.000 0.893 494 L HN 0.175 nan 8.230 nan 0.000 0.432 495 R N -0.715 119.731 120.500 -0.090 0.000 2.091 495 R HA -0.114 4.226 4.340 0.000 0.000 0.238 495 R C 2.225 178.363 176.300 -0.270 0.000 1.136 495 R CA 1.219 57.236 56.100 -0.138 0.000 0.959 495 R CB -1.123 29.134 30.300 -0.071 0.000 0.856 495 R HN 0.574 nan 8.270 nan 0.000 0.437 496 G N 0.548 109.190 108.800 -0.264 0.000 2.440 496 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 496 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 496 G C 1.532 175.986 174.900 -0.743 0.000 1.154 496 G CA 0.894 45.692 45.100 -0.504 0.000 0.767 496 G HN 0.461 nan 8.290 nan 0.000 0.552 497 G N 0.735 108.810 108.800 -1.208 0.000 2.418 497 G HA2 -0.120 3.840 3.960 0.000 0.000 0.217 497 G HA3 -0.120 3.840 3.960 0.000 0.000 0.217 497 G C 1.814 176.111 174.900 -1.005 0.000 1.158 497 G CA 0.698 44.499 45.100 -2.165 0.000 0.771 497 G HN 0.416 nan 8.290 nan 0.000 0.545 498 L N 0.787 121.630 121.223 -0.633 0.000 2.046 498 L HA -0.087 4.253 4.340 0.000 0.000 0.208 498 L C 3.200 179.890 176.870 -0.301 0.000 1.077 498 L CA 1.251 55.874 54.840 -0.361 0.000 0.747 498 L CB -0.456 41.471 42.059 -0.221 0.000 0.896 498 L HN 0.182 nan 8.230 nan 0.000 0.432 499 S N 0.011 115.514 115.700 -0.329 0.000 2.383 499 S HA -0.194 4.276 4.470 0.000 0.000 0.229 499 S C 1.947 176.392 174.600 -0.259 0.000 1.030 499 S CA 1.275 59.315 58.200 -0.267 0.000 1.002 499 S CB -0.268 62.751 63.200 -0.302 0.000 0.829 499 S HN 0.339 nan 8.310 nan 0.000 0.467 500 I N 1.299 121.654 120.570 -0.358 0.000 2.439 500 I HA -0.108 4.062 4.170 0.000 0.000 0.251 500 I C 2.308 178.375 176.117 -0.084 0.000 1.139 500 I CA 0.956 62.080 61.300 -0.293 0.000 1.438 500 I CB -0.547 37.201 38.000 -0.420 0.000 1.085 500 I HN 0.391 nan 8.210 nan 0.000 0.427 501 G N 0.728 109.446 108.800 -0.137 0.000 2.408 501 G HA2 -0.190 3.770 3.960 0.000 0.000 0.217 501 G HA3 -0.190 3.770 3.960 0.000 0.000 0.217 501 G C 1.492 176.357 174.900 -0.059 0.000 1.150 501 G CA 0.281 45.332 45.100 -0.082 0.000 0.776 501 G HN 0.381 nan 8.290 nan 0.000 0.542 502 L N 1.088 122.269 121.223 -0.071 0.000 2.650 502 L HA 0.159 4.499 4.340 0.000 0.000 0.235 502 L C 1.449 178.357 176.870 0.064 0.000 1.149 502 L CA 0.198 55.020 54.840 -0.029 0.000 0.887 502 L CB 0.464 42.491 42.059 -0.055 0.000 1.021 502 L HN 0.083 nan 8.230 nan 0.000 0.441 503 S N -0.847 114.890 115.700 0.062 0.000 2.730 503 S HA 0.371 4.841 4.470 0.000 0.000 0.244 503 S C 1.175 175.821 174.600 0.078 0.000 1.022 503 S CA 0.351 58.614 58.200 0.107 0.000 1.014 503 S CB 1.217 64.486 63.200 0.115 0.000 0.963 503 S HN 0.484 nan 8.310 nan 0.000 0.540 504 G N 1.323 110.134 108.800 0.019 0.000 2.163 504 G HA2 -0.213 3.747 3.960 0.000 0.000 0.213 504 G HA3 -0.213 3.747 3.960 0.000 0.000 0.213 504 G C -0.185 174.560 174.900 -0.260 0.000 0.991 504 G CA -0.672 44.384 45.100 -0.073 0.000 0.653 504 G HN 0.441 nan 8.290 nan 0.000 0.518 505 F N 1.023 120.883 119.950 -0.151 0.000 2.404 505 F HA 0.558 5.085 4.527 0.000 0.000 0.354 505 F C 1.569 177.279 175.800 -0.150 0.000 1.122 505 F CA 0.129 58.037 58.000 -0.153 0.000 1.080 505 F CB 1.929 40.820 39.000 -0.182 0.000 1.131 505 F HN 0.008 nan 8.300 nan 0.000 0.471 506 G N 3.014 111.765 108.800 -0.082 0.000 2.683 506 G HA2 0.077 4.037 3.960 0.000 0.000 0.213 506 G HA3 0.077 4.037 3.960 0.000 0.000 0.213 506 G C -0.192 174.250 174.900 -0.763 0.000 1.142 506 G CA 0.364 45.202 45.100 -0.437 0.000 0.793 506 G HN 0.378 nan 8.290 nan 0.000 0.534 507 F N -2.093 117.951 119.950 0.156 0.000 2.578 507 F HA 0.639 5.166 4.527 0.000 0.000 0.311 507 F C -1.121 174.827 175.800 0.246 0.000 1.094 507 F CA -1.570 56.538 58.000 0.180 0.000 0.923 507 F CB 2.013 41.054 39.000 0.069 0.000 1.230 507 F HN 0.012 nan 8.300 nan 0.000 0.450 508 W N 2.757 124.157 121.300 0.167 0.000 3.211 508 W HA 0.626 5.286 4.660 0.000 0.000 0.335 508 W C -1.363 175.159 176.519 0.005 0.000 1.113 508 W CA -0.989 56.373 57.345 0.028 0.000 1.235 508 W CB 1.835 31.282 29.460 -0.021 0.000 1.365 508 W HN 0.582 nan 8.180 nan 0.000 0.476 509 S N 3.791 119.084 115.700 -0.677 0.000 2.638 509 S HA 0.904 5.374 4.470 0.000 0.000 0.298 509 S C -0.885 173.086 174.600 -1.047 0.000 1.111 509 S CA -0.452 57.269 58.200 -0.799 0.000 1.027 509 S CB 1.855 64.313 63.200 -1.236 0.000 1.064 509 S HN 0.777 nan 8.310 nan 0.000 0.525 510 H N -1.766 116.780 119.070 -0.875 0.000 3.014 510 H HA 0.643 5.199 4.556 0.000 0.000 0.337 510 H C -2.076 173.109 175.328 -0.238 0.000 1.320 510 H CA -1.079 54.532 56.048 -0.728 0.000 1.128 510 H CB 0.516 29.728 29.762 -0.917 0.000 1.862 510 H HN 0.423 nan 8.280 nan 0.000 0.536 511 D N 1.234 121.581 120.400 -0.088 0.000 2.225 511 D HA 0.247 4.887 4.640 0.000 0.000 0.248 511 D C 0.113 176.211 176.300 -0.336 0.000 1.096 511 D CA -0.300 53.659 54.000 -0.068 0.000 0.863 511 D CB 1.394 42.272 40.800 0.129 0.000 1.156 511 D HN 0.408 nan 8.370 nan 0.000 0.450 512 I N 1.581 121.944 120.570 -0.345 0.000 2.533 512 I HA 0.148 4.318 4.170 0.000 0.000 0.284 512 I C 1.615 177.346 176.117 -0.643 0.000 1.109 512 I CA 0.477 61.462 61.300 -0.524 0.000 1.412 512 I CB 0.500 38.305 38.000 -0.325 0.000 1.396 512 I HN 0.679 nan 8.210 nan 0.000 0.543 513 G N 3.934 112.037 108.800 -1.161 0.000 2.184 513 G HA2 -0.142 3.818 3.960 0.000 0.000 0.264 513 G HA3 -0.142 3.818 3.960 0.000 0.000 0.264 513 G C 0.765 175.187 174.900 -0.797 0.000 0.975 513 G CA 0.222 44.878 45.100 -0.739 0.000 0.642 513 G HN 1.498 nan 8.290 nan 0.000 0.536 514 G N -1.205 107.002 108.800 -0.989 0.000 2.569 514 G HA2 -0.065 3.895 3.960 0.000 0.000 0.259 514 G HA3 -0.065 3.895 3.960 0.000 0.000 0.259 514 G C 0.569 175.481 174.900 0.021 0.000 1.263 514 G CA 0.571 45.453 45.100 -0.364 0.000 0.928 514 G HN 1.319 nan 8.290 nan 0.000 0.572 515 F N 0.927 120.836 119.950 -0.068 0.000 2.536 515 F HA 0.351 4.878 4.527 0.000 0.000 0.278 515 F C 1.584 177.347 175.800 -0.062 0.000 0.945 515 F CA 0.676 58.675 58.000 -0.001 0.000 1.244 515 F CB 0.068 39.112 39.000 0.075 0.000 1.118 515 F HN 0.734 nan 8.300 nan 0.000 0.725 516 E N 2.547 122.663 120.200 -0.139 0.000 2.900 516 E HA -0.216 4.134 4.350 0.000 0.000 0.259 516 E C 0.855 177.347 176.600 -0.180 0.000 0.918 516 E CA 0.344 56.587 56.400 -0.262 0.000 0.960 516 E CB 0.361 29.898 29.700 -0.272 0.000 0.908 516 E HN 0.545 nan 8.360 nan 0.000 0.511 517 N N 3.338 121.916 118.700 -0.204 0.000 2.104 517 N HA -0.158 4.582 4.740 0.000 0.000 0.190 517 N C 0.146 175.598 175.510 -0.096 0.000 1.024 517 N CA 1.888 54.843 53.050 -0.159 0.000 0.853 517 N CB -0.531 37.854 38.487 -0.170 0.000 1.008 517 N HN 0.419 nan 8.380 nan 0.000 0.424 518 T N -0.978 113.538 114.554 -0.064 0.000 3.154 518 T HA 0.765 5.115 4.350 0.000 0.000 0.381 518 T C -0.090 174.627 174.700 0.028 0.000 1.368 518 T CA -0.839 61.251 62.100 -0.016 0.000 1.155 518 T CB 0.880 69.735 68.868 -0.022 0.000 1.120 518 T HN 0.465 nan 8.240 nan 0.000 0.570 519 A N 4.219 127.082 122.820 0.073 0.000 2.354 519 A HA 0.698 5.018 4.320 0.000 0.000 0.269 519 A C -2.209 175.419 177.584 0.073 0.000 1.109 519 A CA -1.617 50.456 52.037 0.059 0.000 0.800 519 A CB -0.203 18.836 19.000 0.065 0.000 1.045 519 A HN 0.501 nan 8.150 nan 0.000 0.489 520 P HA 0.183 nan 4.420 nan 0.000 0.268 520 P C 0.891 178.041 177.300 -0.251 0.000 1.208 520 P CA 0.549 63.577 63.100 -0.120 0.000 0.777 520 P CB 0.660 32.149 31.700 -0.353 0.000 0.875 521 A N 2.456 125.167 122.820 -0.182 0.000 1.940 521 A HA -0.261 4.059 4.320 0.000 0.000 0.219 521 A C 1.916 179.289 177.584 -0.351 0.000 1.176 521 A CA 2.287 54.046 52.037 -0.462 0.000 0.631 521 A CB -1.843 17.077 19.000 -0.133 0.000 0.814 521 A HN 0.845 nan 8.150 nan 0.000 0.446 522 H N -1.450 117.543 119.070 -0.128 0.000 2.353 522 H HA -0.044 4.512 4.556 0.000 0.000 0.300 522 H C 1.596 177.028 175.328 0.173 0.000 1.090 522 H CA 1.520 57.539 56.048 -0.048 0.000 1.327 522 H CB -0.967 28.996 29.762 0.335 0.000 1.383 522 H HN 0.110 nan 8.280 nan 0.000 0.508 523 V N 0.599 120.396 119.914 -0.194 0.000 2.343 523 V HA -0.297 3.823 4.120 0.000 0.000 0.247 523 V C 2.364 178.566 176.094 0.181 0.000 1.051 523 V CA 2.106 64.379 62.300 -0.045 0.000 1.036 523 V CB -0.957 30.680 31.823 -0.310 0.000 0.654 523 V HN 0.494 nan 8.190 nan 0.000 0.451 524 Y N 1.283 121.495 120.300 -0.146 0.000 2.145 524 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 524 Y C 2.488 178.380 175.900 -0.013 0.000 1.145 524 Y CA 1.984 59.993 58.100 -0.151 0.000 1.148 524 Y CB -0.154 37.964 38.460 -0.570 0.000 0.981 524 Y HN 0.169 nan 8.280 nan 0.000 0.507 525 K N -0.304 120.125 120.400 0.049 0.000 2.025 525 K HA -0.137 4.183 4.320 0.000 0.000 0.207 525 K C 2.130 178.851 176.600 0.203 0.000 1.049 525 K CA 1.312 57.634 56.287 0.058 0.000 0.933 525 K CB -0.125 32.272 32.500 -0.171 0.000 0.714 525 K HN 0.129 nan 8.250 nan 0.000 0.438 526 R N 0.314 121.015 120.500 0.335 0.000 2.091 526 R HA -0.154 4.186 4.340 0.000 0.000 0.238 526 R C 1.960 178.414 176.300 0.257 0.000 1.136 526 R CA 1.107 57.405 56.100 0.330 0.000 0.959 526 R CB -0.656 29.911 30.300 0.444 0.000 0.856 526 R HN 0.468 nan 8.270 nan 0.000 0.437 527 W N 0.764 122.138 121.300 0.124 0.000 2.467 527 W HA -0.106 4.554 4.660 0.000 0.000 0.275 527 W C 2.149 178.666 176.519 -0.004 0.000 1.239 527 W CA 0.037 57.472 57.345 0.150 0.000 1.266 527 W CB -0.617 28.914 29.460 0.118 0.000 1.112 527 W HN 0.099 nan 8.180 nan 0.000 0.576 528 C N 0.949 120.324 119.300 0.124 0.000 2.429 528 C HA -0.112 4.348 4.460 0.000 0.000 0.277 528 C C 3.024 177.966 174.990 -0.080 0.000 1.262 528 C CA 2.319 61.312 59.018 -0.042 0.000 1.733 528 C CB -1.489 26.182 27.740 -0.116 0.000 2.010 528 C HN 0.290 nan 8.230 nan 0.000 0.483 529 A N -0.295 122.362 122.820 -0.272 0.000 1.877 529 A HA -0.093 4.228 4.320 0.000 0.000 0.216 529 A C 2.031 179.514 177.584 -0.168 0.000 1.186 529 A CA 1.763 53.328 52.037 -0.787 0.000 0.620 529 A CB -1.091 17.325 19.000 -0.974 0.000 0.822 529 A HN 0.658 nan 8.150 nan 0.000 0.443 530 F N 1.533 121.427 119.950 -0.093 0.000 2.069 530 F HA -0.083 4.444 4.527 0.000 0.000 0.298 530 F C 2.277 178.232 175.800 0.258 0.000 1.113 530 F CA 1.428 59.494 58.000 0.111 0.000 1.214 530 F CB -1.124 37.907 39.000 0.052 0.000 0.978 530 F HN 0.177 nan 8.300 nan 0.000 0.474 531 G N 1.001 109.805 108.800 0.006 0.000 2.440 531 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 531 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 531 G C 1.608 176.458 174.900 -0.083 0.000 1.154 531 G CA 0.910 45.834 45.100 -0.293 0.000 0.767 531 G HN 0.375 nan 8.290 nan 0.000 0.552 532 L N -0.137 121.115 121.223 0.049 0.000 2.395 532 L HA 0.217 4.557 4.340 0.000 0.000 0.218 532 L C 1.455 178.453 176.870 0.213 0.000 1.130 532 L CA 0.591 55.519 54.840 0.145 0.000 0.826 532 L CB -0.507 41.683 42.059 0.219 0.000 0.941 532 L HN 0.129 nan 8.230 nan 0.000 0.451 533 L N -0.712 120.664 121.223 0.255 0.000 2.928 533 L HA 0.239 4.579 4.340 0.000 0.000 0.236 533 L C 0.381 177.526 176.870 0.458 0.000 1.290 533 L CA 0.266 55.318 54.840 0.353 0.000 1.099 533 L CB -0.861 41.412 42.059 0.356 0.000 1.437 533 L HN 0.030 nan 8.230 nan 0.000 0.493 534 S N -1.946 113.952 115.700 0.329 0.000 2.667 534 S HA 0.374 4.844 4.470 0.000 0.000 0.292 534 S C 1.113 175.861 174.600 0.246 0.000 1.126 534 S CA -0.014 58.377 58.200 0.318 0.000 0.881 534 S CB 1.985 65.372 63.200 0.313 0.000 1.132 534 S HN 0.359 nan 8.310 nan 0.000 0.492 535 S N 0.737 116.602 115.700 0.274 0.000 2.359 535 S HA -0.105 4.365 4.470 0.000 0.000 0.224 535 S C 0.174 174.657 174.600 -0.194 0.000 1.035 535 S CA 1.246 59.601 58.200 0.258 0.000 1.018 535 S CB -0.544 62.988 63.200 0.554 0.000 0.876 535 S HN 0.766 nan 8.310 nan 0.000 0.448 536 H N -0.225 118.833 119.070 -0.020 0.000 2.637 536 H HA 0.759 5.315 4.556 0.000 0.000 0.363 536 H C -1.149 174.053 175.328 -0.211 0.000 1.131 536 H CA -0.490 55.459 56.048 -0.165 0.000 1.183 536 H CB 2.178 31.715 29.762 -0.375 0.000 1.637 536 H HN 0.176 nan 8.280 nan 0.000 0.531 537 S N 2.108 117.794 115.700 -0.023 0.000 2.720 537 S HA 0.483 4.953 4.470 0.000 0.000 0.278 537 S C -0.836 173.816 174.600 0.086 0.000 1.172 537 S CA -0.879 57.291 58.200 -0.049 0.000 1.019 537 S CB 1.619 64.850 63.200 0.051 0.000 1.049 537 S HN 0.595 nan 8.310 nan 0.000 0.483 538 R N 2.562 123.070 120.500 0.014 0.000 2.725 538 R HA 0.626 4.966 4.340 0.000 0.000 0.277 538 R C -1.760 174.581 176.300 0.068 0.000 0.987 538 R CA -0.812 55.358 56.100 0.118 0.000 0.901 538 R CB 1.022 31.405 30.300 0.138 0.000 1.207 538 R HN 0.602 nan 8.270 nan 0.000 0.463 539 L N 4.034 125.331 121.223 0.124 0.000 2.262 539 L HA 0.415 4.755 4.340 0.000 0.000 0.288 539 L C -0.839 176.133 176.870 0.172 0.000 1.035 539 L CA -0.554 54.361 54.840 0.126 0.000 0.820 539 L CB 1.078 43.233 42.059 0.159 0.000 1.204 539 L HN 0.650 nan 8.230 nan 0.000 0.424 540 H N 2.364 121.469 119.070 0.058 0.000 3.017 540 H HA 0.603 5.159 4.556 0.000 0.000 0.340 540 H C -0.435 174.983 175.328 0.150 0.000 1.014 540 H CA -0.375 55.718 56.048 0.074 0.000 1.341 540 H CB 1.599 31.400 29.762 0.064 0.000 1.739 540 H HN 0.574 nan 8.280 nan 0.000 0.506 541 G N 1.881 110.472 108.800 -0.347 0.000 2.601 541 G HA2 0.352 4.312 3.960 0.000 0.000 0.317 541 G HA3 0.352 4.312 3.960 0.000 0.000 0.317 541 G C -0.044 174.638 174.900 -0.363 0.000 1.246 541 G CA -0.227 44.713 45.100 -0.266 0.000 1.012 541 G HN 0.605 nan 8.290 nan 0.000 0.494 542 S N -1.097 114.379 115.700 -0.373 0.000 2.346 542 S HA 0.079 4.549 4.470 0.000 0.000 0.204 542 S C 2.134 176.613 174.600 -0.201 0.000 1.008 542 S CA 0.731 58.658 58.200 -0.454 0.000 0.925 542 S CB -0.094 62.645 63.200 -0.768 0.000 0.903 542 S HN 0.536 nan 8.310 nan 0.000 0.537 543 K N 1.178 121.440 120.400 -0.231 0.000 2.244 543 K HA 0.188 4.508 4.320 0.000 0.000 0.200 543 K C 0.797 177.266 176.600 -0.217 0.000 1.052 543 K CA 0.297 56.465 56.287 -0.198 0.000 0.980 543 K CB -0.100 32.303 32.500 -0.162 0.000 0.838 543 K HN 0.389 nan 8.250 nan 0.000 0.481 544 S N 0.773 116.344 115.700 -0.214 0.000 2.576 544 S HA 0.099 4.569 4.470 0.000 0.000 0.276 544 S C -0.238 174.196 174.600 -0.277 0.000 1.339 544 S CA -0.695 57.388 58.200 -0.195 0.000 1.039 544 S CB 0.081 63.175 63.200 -0.178 0.000 0.902 544 S HN 0.069 nan 8.310 nan 0.000 0.516 545 Y N 1.517 121.665 120.300 -0.253 0.000 2.442 545 Y HA 0.244 4.794 4.550 0.000 0.000 0.330 545 Y C 1.635 177.379 175.900 -0.261 0.000 1.129 545 Y CA -0.132 57.779 58.100 -0.315 0.000 1.365 545 Y CB 0.615 38.811 38.460 -0.439 0.000 1.233 545 Y HN 0.595 nan 8.280 nan 0.000 0.529 546 R N 2.555 123.030 120.500 -0.043 0.000 2.356 546 R HA 0.080 4.420 4.340 0.000 0.000 0.234 546 R C -0.595 175.742 176.300 0.061 0.000 0.929 546 R CA -0.125 55.998 56.100 0.039 0.000 1.084 546 R CB -1.042 29.322 30.300 0.107 0.000 1.105 546 R HN 0.504 nan 8.270 nan 0.000 0.515 547 V N 0.098 119.935 119.914 -0.128 0.000 2.585 547 V HA 0.122 4.242 4.120 0.000 0.000 0.296 547 V C -1.246 174.566 176.094 -0.469 0.000 1.035 547 V CA -1.177 60.851 62.300 -0.453 0.000 1.084 547 V CB 0.889 31.972 31.823 -1.234 0.000 0.953 547 V HN 0.002 nan 8.190 nan 0.000 0.483 548 P HA -0.075 nan 4.420 nan 0.000 0.221 548 P C 1.280 178.649 177.300 0.114 0.000 1.150 548 P CA 1.610 64.775 63.100 0.108 0.000 0.800 548 P CB -0.124 31.821 31.700 0.407 0.000 0.787 549 W N 0.134 121.499 121.300 0.110 0.000 2.611 549 W HA 0.308 4.968 4.660 0.000 0.000 0.251 549 W C 1.894 178.411 176.519 -0.004 0.000 1.265 549 W CA 0.492 57.873 57.345 0.060 0.000 1.295 549 W CB -1.708 27.777 29.460 0.041 0.000 1.129 549 W HN -0.112 nan 8.180 nan 0.000 0.630 550 A N 0.794 123.466 122.820 -0.246 0.000 1.948 550 A HA -0.180 4.140 4.320 0.000 0.000 0.220 550 A C 1.659 179.056 177.584 -0.312 0.000 1.177 550 A CA 1.778 53.616 52.037 -0.332 0.000 0.636 550 A CB -1.078 17.561 19.000 -0.603 0.000 0.815 550 A HN 0.533 nan 8.150 nan 0.000 0.449 551 Y N -0.015 120.212 120.300 -0.121 0.000 2.197 551 Y HA 0.220 4.770 4.550 0.000 0.000 0.281 551 Y C 0.650 176.548 175.900 -0.004 0.000 1.099 551 Y CA 0.811 58.853 58.100 -0.097 0.000 1.092 551 Y CB 0.147 38.498 38.460 -0.183 0.000 1.028 551 Y HN 0.565 nan 8.280 nan 0.000 0.489 552 D N -3.240 117.297 120.400 0.228 0.000 2.692 552 D HA 0.090 4.730 4.640 0.000 0.000 0.290 552 D C -0.572 175.842 176.300 0.191 0.000 1.281 552 D CA -0.481 53.623 54.000 0.175 0.000 0.804 552 D CB 0.166 41.054 40.800 0.147 0.000 1.331 552 D HN -0.132 nan 8.370 nan 0.000 0.432 553 D N -0.130 120.367 120.400 0.162 0.000 2.144 553 D HA -0.150 4.490 4.640 0.000 0.000 0.199 553 D C 1.427 177.829 176.300 0.170 0.000 0.984 553 D CA 1.321 55.417 54.000 0.161 0.000 0.834 553 D CB 0.078 40.950 40.800 0.119 0.000 0.955 553 D HN 0.693 nan 8.370 nan 0.000 0.465 554 E N 0.550 120.845 120.200 0.157 0.000 2.153 554 E HA -0.135 4.215 4.350 0.000 0.000 0.194 554 E C 1.797 178.507 176.600 0.183 0.000 0.988 554 E CA 0.932 57.429 56.400 0.163 0.000 0.811 554 E CB 0.162 29.958 29.700 0.160 0.000 0.746 554 E HN 0.012 nan 8.360 nan 0.000 0.466 555 S N -0.044 115.767 115.700 0.185 0.000 2.383 555 S HA -0.193 4.277 4.470 0.000 0.000 0.229 555 S C 2.068 176.865 174.600 0.327 0.000 1.030 555 S CA 1.167 59.521 58.200 0.258 0.000 1.002 555 S CB -0.360 62.988 63.200 0.247 0.000 0.829 555 S HN 0.476 nan 8.310 nan 0.000 0.467 556 C N 1.871 121.353 119.300 0.304 0.000 2.446 556 C HA -0.060 4.400 4.460 0.000 0.000 0.277 556 C C 2.438 177.581 174.990 0.255 0.000 1.275 556 C CA 0.294 59.498 59.018 0.310 0.000 1.727 556 C CB -1.251 26.666 27.740 0.295 0.000 2.010 556 C HN 0.546 nan 8.230 nan 0.000 0.486 557 D N 0.833 121.363 120.400 0.216 0.000 2.123 557 D HA -0.106 4.534 4.640 0.000 0.000 0.196 557 D C 2.179 178.617 176.300 0.230 0.000 0.992 557 D CA 1.097 55.209 54.000 0.188 0.000 0.833 557 D CB -0.472 40.416 40.800 0.147 0.000 0.954 557 D HN 0.305 nan 8.370 nan 0.000 0.455 558 V N 0.717 120.799 119.914 0.280 0.000 2.307 558 V HA -0.199 3.921 4.120 0.000 0.000 0.245 558 V C 2.703 179.077 176.094 0.466 0.000 1.045 558 V CA 0.963 63.501 62.300 0.397 0.000 1.024 558 V CB -0.467 31.595 31.823 0.398 0.000 0.651 558 V HN 0.046 nan 8.190 nan 0.000 0.449 559 V N 0.004 120.133 119.914 0.358 0.000 2.282 559 V HA -0.339 3.781 4.120 0.000 0.000 0.249 559 V C 2.560 178.823 176.094 0.282 0.000 1.057 559 V CA 2.645 65.135 62.300 0.316 0.000 1.032 559 V CB -0.781 31.218 31.823 0.295 0.000 0.645 559 V HN 0.479 nan 8.190 nan 0.000 0.447 560 R N -0.872 119.773 120.500 0.242 0.000 2.073 560 R HA -0.201 4.139 4.340 0.000 0.000 0.234 560 R C 2.253 178.623 176.300 0.116 0.000 1.134 560 R CA 2.178 58.380 56.100 0.171 0.000 0.952 560 R CB -0.468 29.922 30.300 0.150 0.000 0.850 560 R HN 0.491 nan 8.270 nan 0.000 0.433 561 F N 0.075 119.990 119.950 -0.059 0.000 2.069 561 F HA -0.224 4.303 4.527 0.000 0.000 0.298 561 F C 1.601 177.183 175.800 -0.364 0.000 1.113 561 F CA 1.688 59.513 58.000 -0.291 0.000 1.214 561 F CB -0.286 38.414 39.000 -0.501 0.000 0.978 561 F HN -0.017 nan 8.300 nan 0.000 0.474 562 F N 0.213 120.226 119.950 0.104 0.000 2.325 562 F HA -0.115 4.412 4.527 0.000 0.000 0.299 562 F C 2.477 178.271 175.800 -0.010 0.000 1.090 562 F CA 1.542 59.548 58.000 0.010 0.000 1.392 562 F CB -1.346 37.761 39.000 0.178 0.000 1.053 562 F HN -0.092 nan 8.300 nan 0.000 0.521 563 T N -0.747 113.914 114.554 0.177 0.000 2.812 563 T HA -0.178 4.172 4.350 0.000 0.000 0.264 563 T C 1.921 176.668 174.700 0.078 0.000 1.042 563 T CA 1.221 63.421 62.100 0.167 0.000 1.140 563 T CB -0.296 68.696 68.868 0.208 0.000 0.870 563 T HN 0.270 nan 8.240 nan 0.000 0.445 564 Q N 0.350 120.132 119.800 -0.031 0.000 2.045 564 Q HA -0.129 4.211 4.340 0.000 0.000 0.206 564 Q C 2.345 178.241 176.000 -0.172 0.000 0.991 564 Q CA 1.367 57.105 55.803 -0.109 0.000 0.851 564 Q CB -0.471 28.151 28.738 -0.193 0.000 0.911 564 Q HN 0.288 nan 8.270 nan 0.000 0.418 565 L N 1.437 122.445 121.223 -0.358 0.000 1.990 565 L HA -0.272 4.068 4.340 0.000 0.000 0.213 565 L C 2.255 179.088 176.870 -0.062 0.000 1.072 565 L CA 2.022 56.668 54.840 -0.324 0.000 0.755 565 L CB -0.494 41.254 42.059 -0.518 0.000 0.889 565 L HN 0.087 nan 8.230 nan 0.000 0.432 566 K N -1.402 119.020 120.400 0.037 0.000 2.103 566 K HA -0.211 4.109 4.320 0.000 0.000 0.207 566 K C 2.114 178.782 176.600 0.112 0.000 1.048 566 K CA 1.873 58.230 56.287 0.117 0.000 0.930 566 K CB -0.330 32.273 32.500 0.172 0.000 0.716 566 K HN 0.540 nan 8.250 nan 0.000 0.444 567 C N 0.393 119.759 119.300 0.111 0.000 2.446 567 C HA 0.018 4.478 4.460 0.000 0.000 0.277 567 C C 2.538 177.665 174.990 0.229 0.000 1.275 567 C CA 0.442 59.566 59.018 0.176 0.000 1.727 567 C CB -0.778 27.052 27.740 0.150 0.000 2.010 567 C HN 0.495 nan 8.230 nan 0.000 0.486 568 R N 0.335 120.909 120.500 0.123 0.000 2.152 568 R HA -0.050 4.290 4.340 0.000 0.000 0.232 568 R C 1.880 178.249 176.300 0.116 0.000 1.117 568 R CA 1.138 57.314 56.100 0.127 0.000 0.981 568 R CB -0.287 30.024 30.300 0.019 0.000 0.870 568 R HN 0.591 nan 8.270 nan 0.000 0.451 569 M N -0.223 119.428 119.600 0.084 0.000 2.618 569 M HA 0.016 4.496 4.480 0.000 0.000 0.240 569 M C 1.623 177.925 176.300 0.004 0.000 1.123 569 M CA 0.423 55.776 55.300 0.089 0.000 1.060 569 M CB 0.145 32.828 32.600 0.139 0.000 1.535 569 M HN 0.032 nan 8.290 nan 0.000 0.507 570 M N 0.272 119.809 119.600 -0.104 0.000 2.202 570 M HA -0.085 4.395 4.480 0.000 0.000 0.262 570 M C -0.736 175.052 176.300 -0.854 0.000 1.063 570 M CA 1.695 56.729 55.300 -0.443 0.000 1.097 570 M CB -2.104 30.232 32.600 -0.441 0.000 1.382 570 M HN 0.004 nan 8.290 nan 0.000 0.413 571 P HA -0.191 nan 4.420 nan 0.000 0.215 571 P C 1.580 178.723 177.300 -0.261 0.000 1.153 571 P CA 1.258 64.016 63.100 -0.569 0.000 0.853 571 P CB -0.389 31.204 31.700 -0.178 0.000 0.788 572 Y N 0.337 120.509 120.300 -0.213 0.000 2.114 572 Y HA -0.190 4.360 4.550 0.000 0.000 0.284 572 Y C 2.026 177.836 175.900 -0.150 0.000 1.143 572 Y CA 1.476 59.507 58.100 -0.117 0.000 1.135 572 Y CB -1.202 37.232 38.460 -0.044 0.000 0.980 572 Y HN -0.247 nan 8.280 nan 0.000 0.499 573 L N -0.776 120.245 121.223 -0.337 0.000 2.046 573 L HA -0.230 4.110 4.340 0.000 0.000 0.208 573 L C 2.267 178.890 176.870 -0.411 0.000 1.077 573 L CA 1.744 56.352 54.840 -0.388 0.000 0.747 573 L CB -1.822 40.123 42.059 -0.191 0.000 0.896 573 L HN 0.350 nan 8.230 nan 0.000 0.432 574 Y N 0.091 119.985 120.300 -0.677 0.000 2.352 574 Y HA -0.227 4.323 4.550 0.000 0.000 0.292 574 Y C 2.769 178.452 175.900 -0.362 0.000 1.136 574 Y CA 1.360 59.071 58.100 -0.648 0.000 1.227 574 Y CB -0.066 37.834 38.460 -0.933 0.000 0.991 574 Y HN 0.102 nan 8.280 nan 0.000 0.545 575 R N 0.787 121.114 120.500 -0.288 0.000 2.075 575 R HA -0.113 4.227 4.340 0.000 0.000 0.232 575 R C 1.834 177.994 176.300 -0.232 0.000 1.126 575 R CA 1.870 57.849 56.100 -0.202 0.000 0.963 575 R CB -0.400 29.826 30.300 -0.123 0.000 0.858 575 R HN 0.181 nan 8.270 nan 0.000 0.435 576 E N 0.410 120.417 120.200 -0.322 0.000 2.106 576 E HA -0.094 4.256 4.350 0.000 0.000 0.192 576 E C 1.911 178.401 176.600 -0.183 0.000 0.984 576 E CA 1.276 57.510 56.400 -0.277 0.000 0.806 576 E CB -0.477 28.986 29.700 -0.396 0.000 0.750 576 E HN 0.455 nan 8.360 nan 0.000 0.458 577 A N 1.801 124.526 122.820 -0.158 0.000 1.883 577 A HA -0.139 4.181 4.320 0.000 0.000 0.217 577 A C 2.471 180.050 177.584 -0.008 0.000 1.186 577 A CA 2.274 54.344 52.037 0.056 0.000 0.624 577 A CB -0.705 18.356 19.000 0.101 0.000 0.822 577 A HN 0.278 nan 8.150 nan 0.000 0.444 578 A N -0.357 122.350 122.820 -0.189 0.000 1.940 578 A HA -0.201 4.119 4.320 0.000 0.000 0.219 578 A C 2.211 179.748 177.584 -0.078 0.000 1.176 578 A CA 1.572 53.535 52.037 -0.123 0.000 0.631 578 A CB -0.517 18.402 19.000 -0.136 0.000 0.814 578 A HN 0.568 nan 8.150 nan 0.000 0.446 579 R N -0.637 119.802 120.500 -0.101 0.000 2.105 579 R HA -0.152 4.188 4.340 0.000 0.000 0.239 579 R C 2.441 178.675 176.300 -0.111 0.000 1.135 579 R CA 1.249 57.289 56.100 -0.100 0.000 0.967 579 R CB -0.483 29.748 30.300 -0.113 0.000 0.861 579 R HN 0.542 nan 8.270 nan 0.000 0.442 580 A N 1.371 124.106 122.820 -0.142 0.000 1.933 580 A HA -0.200 4.120 4.320 0.000 0.000 0.218 580 A C 1.957 179.486 177.584 -0.091 0.000 1.175 580 A CA 1.509 53.424 52.037 -0.203 0.000 0.628 580 A CB -0.679 18.012 19.000 -0.516 0.000 0.814 580 A HN 0.424 nan 8.150 nan 0.000 0.444 581 N N 0.075 118.777 118.700 0.003 0.000 2.216 581 N HA -0.065 4.675 4.740 0.000 0.000 0.183 581 N C 1.859 177.350 175.510 -0.032 0.000 1.017 581 N CA 1.245 54.308 53.050 0.021 0.000 0.861 581 N CB -0.144 38.384 38.487 0.069 0.000 0.986 581 N HN 0.356 nan 8.380 nan 0.000 0.428 582 A N 0.711 123.505 122.820 -0.043 0.000 1.930 582 A HA 0.092 4.412 4.320 0.000 0.000 0.215 582 A C 2.086 179.632 177.584 -0.065 0.000 1.176 582 A CA 0.749 52.756 52.037 -0.049 0.000 0.632 582 A CB 0.003 18.976 19.000 -0.045 0.000 0.819 582 A HN 0.273 nan 8.150 nan 0.000 0.445 583 R N -2.532 117.922 120.500 -0.078 0.000 2.487 583 R HA 0.245 4.585 4.340 0.000 0.000 0.272 583 R C 0.905 177.146 176.300 -0.099 0.000 0.928 583 R CA 0.548 56.599 56.100 -0.083 0.000 1.077 583 R CB 0.688 30.943 30.300 -0.076 0.000 1.265 583 R HN 0.653 nan 8.270 nan 0.000 0.537 584 G N 1.737 110.465 108.800 -0.120 0.000 2.143 584 G HA2 -0.259 3.701 3.960 0.000 0.000 0.248 584 G HA3 -0.259 3.701 3.960 0.000 0.000 0.248 584 G C 0.056 174.873 174.900 -0.139 0.000 0.991 584 G CA 0.531 45.546 45.100 -0.142 0.000 0.689 584 G HN 0.244 nan 8.290 nan 0.000 0.522 585 T N 3.467 117.938 114.554 -0.138 0.000 2.737 585 T HA 0.483 4.833 4.350 0.000 0.000 0.296 585 T C -1.602 172.988 174.700 -0.183 0.000 0.922 585 T CA -0.493 61.526 62.100 -0.136 0.000 1.079 585 T CB 1.935 70.733 68.868 -0.117 0.000 0.892 585 T HN 0.306 nan 8.240 nan 0.000 0.514 586 P HA 0.199 nan 4.420 nan 0.000 0.274 586 P C 0.825 178.019 177.300 -0.177 0.000 1.237 586 P CA -0.456 62.514 63.100 -0.217 0.000 0.793 586 P CB 0.857 32.470 31.700 -0.146 0.000 0.977 587 M N 0.298 119.779 119.600 -0.199 0.000 2.099 587 M HA -0.025 4.455 4.480 0.000 0.000 0.262 587 M C 1.467 177.794 176.300 0.045 0.000 1.067 587 M CA 1.767 57.030 55.300 -0.062 0.000 1.124 587 M CB -0.141 32.473 32.600 0.023 0.000 1.353 587 M HN 0.364 nan 8.290 nan 0.000 0.410 588 M N 1.507 121.130 119.600 0.038 0.000 2.077 588 M HA 0.236 4.716 4.480 0.000 0.000 0.348 588 M C -0.962 175.331 176.300 -0.011 0.000 1.252 588 M CA 0.057 55.378 55.300 0.035 0.000 1.096 588 M CB 0.400 32.931 32.600 -0.115 0.000 1.568 588 M HN 0.028 nan 8.290 nan 0.000 0.456 589 R N 3.817 124.364 120.500 0.080 0.000 2.393 589 R HA 0.636 4.976 4.340 0.000 0.000 0.310 589 R C -0.221 176.122 176.300 0.072 0.000 0.968 589 R CA -0.664 55.457 56.100 0.035 0.000 0.867 589 R CB 1.561 31.880 30.300 0.032 0.000 1.124 589 R HN 0.831 nan 8.270 nan 0.000 0.450 590 A N 3.622 126.438 122.820 -0.008 0.000 2.531 590 A HA -0.009 4.311 4.320 0.000 0.000 0.236 590 A C 1.308 178.916 177.584 0.039 0.000 1.062 590 A CA -0.096 51.941 52.037 -0.001 0.000 0.760 590 A CB 0.186 19.129 19.000 -0.095 0.000 0.995 590 A HN 0.782 nan 8.150 nan 0.000 0.501 591 M N 1.890 121.544 119.600 0.090 0.000 2.202 591 M HA -0.210 4.271 4.480 0.000 0.000 0.262 591 M C 1.942 178.340 176.300 0.164 0.000 1.063 591 M CA 2.223 57.631 55.300 0.180 0.000 1.097 591 M CB -1.403 31.279 32.600 0.138 0.000 1.382 591 M HN 0.994 nan 8.290 nan 0.000 0.413 592 M N -1.483 118.118 119.600 0.002 0.000 2.374 592 M HA -0.049 4.431 4.480 0.000 0.000 0.264 592 M C 2.021 178.247 176.300 -0.123 0.000 1.067 592 M CA 1.616 56.870 55.300 -0.077 0.000 1.103 592 M CB -0.954 31.496 32.600 -0.251 0.000 1.402 592 M HN 0.228 nan 8.290 nan 0.000 0.444 593 M N -0.089 119.426 119.600 -0.142 0.000 2.200 593 M HA -0.093 4.387 4.480 0.000 0.000 0.265 593 M C 1.903 178.122 176.300 -0.135 0.000 1.066 593 M CA 1.877 57.084 55.300 -0.153 0.000 1.127 593 M CB 0.016 32.530 32.600 -0.145 0.000 1.379 593 M HN 0.433 nan 8.290 nan 0.000 0.420 594 E N 0.059 120.186 120.200 -0.122 0.000 2.170 594 E HA -0.007 4.343 4.350 0.000 0.000 0.191 594 E C -0.339 175.865 176.600 -0.659 0.000 0.981 594 E CA 0.996 57.184 56.400 -0.353 0.000 0.830 594 E CB 0.195 29.699 29.700 -0.326 0.000 0.775 594 E HN 0.526 nan 8.360 nan 0.000 0.470 595 F N 0.632 120.594 119.950 0.019 0.000 2.523 595 F HA 0.341 4.868 4.527 0.000 0.000 0.322 595 F C -1.806 173.996 175.800 0.002 0.000 1.361 595 F CA -1.932 56.090 58.000 0.037 0.000 1.151 595 F CB 1.606 40.659 39.000 0.088 0.000 1.391 595 F HN -0.006 nan 8.300 nan 0.000 0.566 596 P HA -0.110 nan 4.420 nan 0.000 0.223 596 P C 0.516 177.840 177.300 0.040 0.000 1.151 596 P CA 1.382 64.489 63.100 0.010 0.000 0.787 596 P CB 0.423 32.101 31.700 -0.036 0.000 0.788 597 D N -0.917 119.528 120.400 0.075 0.000 2.349 597 D HA 0.006 4.646 4.640 0.000 0.000 0.214 597 D C 0.193 176.546 176.300 0.090 0.000 1.063 597 D CA 0.372 54.415 54.000 0.071 0.000 0.847 597 D CB 0.026 40.866 40.800 0.067 0.000 0.933 597 D HN 0.154 nan 8.370 nan 0.000 0.513 598 D N 1.636 122.110 120.400 0.124 0.000 2.347 598 D HA 0.077 4.717 4.640 0.000 0.000 0.235 598 D C -1.436 174.886 176.300 0.036 0.000 1.149 598 D CA -2.031 52.030 54.000 0.101 0.000 0.850 598 D CB 2.002 42.894 40.800 0.153 0.000 1.061 598 D HN -0.064 nan 8.370 nan 0.000 0.487 599 P HA -0.020 nan 4.420 nan 0.000 0.229 599 P C 0.994 178.268 177.300 -0.043 0.000 1.160 599 P CA 0.296 63.397 63.100 0.003 0.000 0.777 599 P CB 0.232 31.943 31.700 0.019 0.000 0.814 600 A N -0.327 122.401 122.820 -0.153 0.000 2.076 600 A HA -0.155 4.165 4.320 0.000 0.000 0.220 600 A C 2.110 179.474 177.584 -0.366 0.000 1.160 600 A CA 1.452 53.251 52.037 -0.396 0.000 0.653 600 A CB -1.582 16.804 19.000 -1.025 0.000 0.801 600 A HN 0.298 nan 8.150 nan 0.000 0.455 601 C N -0.685 118.500 119.300 -0.191 0.000 2.791 601 C HA 0.111 4.571 4.460 0.000 0.000 0.270 601 C C 1.792 176.780 174.990 -0.003 0.000 1.257 601 C CA -0.119 58.852 59.018 -0.080 0.000 1.699 601 C CB -0.866 26.886 27.740 0.020 0.000 1.904 601 C HN 0.546 nan 8.230 nan 0.000 0.603 602 D N 0.988 121.389 120.400 0.001 0.000 2.104 602 D HA -0.129 4.511 4.640 0.000 0.000 0.194 602 D C 1.109 177.310 176.300 -0.164 0.000 0.994 602 D CA 1.699 55.653 54.000 -0.077 0.000 0.830 602 D CB -0.136 40.563 40.800 -0.168 0.000 0.959 602 D HN 0.587 nan 8.370 nan 0.000 0.452 603 Y N -0.201 120.143 120.300 0.073 0.000 2.507 603 Y HA 0.285 4.835 4.550 0.000 0.000 0.254 603 Y C 0.486 176.427 175.900 0.068 0.000 1.171 603 Y CA -0.412 57.724 58.100 0.060 0.000 1.238 603 Y CB 0.184 38.654 38.460 0.017 0.000 1.148 603 Y HN -0.207 nan 8.280 nan 0.000 0.525 604 L N 2.852 124.185 121.223 0.183 0.000 2.534 604 L HA 0.009 4.349 4.340 0.000 0.000 0.271 604 L C 0.303 177.239 176.870 0.110 0.000 1.178 604 L CA 0.479 55.404 54.840 0.141 0.000 0.907 604 L CB 0.408 42.508 42.059 0.069 0.000 1.164 604 L HN 0.343 nan 8.230 nan 0.000 0.482 605 D N 1.386 121.844 120.400 0.098 0.000 2.516 605 D HA 0.013 4.653 4.640 0.000 0.000 0.241 605 D C 1.081 177.399 176.300 0.030 0.000 1.246 605 D CA -0.208 53.824 54.000 0.052 0.000 0.808 605 D CB 0.309 41.124 40.800 0.025 0.000 1.147 605 D HN 0.385 nan 8.370 nan 0.000 0.527 606 R N 0.366 120.901 120.500 0.059 0.000 2.472 606 R HA 0.224 4.565 4.340 0.000 0.000 0.279 606 R C 0.258 176.663 176.300 0.175 0.000 0.953 606 R CA 0.062 56.206 56.100 0.073 0.000 1.088 606 R CB 0.706 31.018 30.300 0.021 0.000 1.197 606 R HN 0.387 nan 8.270 nan 0.000 0.536 607 Q N -0.123 119.758 119.800 0.136 0.000 2.511 607 Q HA 0.452 4.792 4.340 0.000 0.000 0.289 607 Q C -1.382 174.727 176.000 0.180 0.000 1.021 607 Q CA -1.192 54.655 55.803 0.073 0.000 0.785 607 Q CB 1.732 30.448 28.738 -0.036 0.000 1.472 607 Q HN 0.070 nan 8.270 nan 0.000 0.411 608 Y N -1.974 118.328 120.300 0.003 0.000 2.689 608 Y HA 0.675 5.225 4.550 0.000 0.000 0.333 608 Y C -1.413 174.529 175.900 0.070 0.000 1.208 608 Y CA -1.632 56.490 58.100 0.038 0.000 1.055 608 Y CB 1.304 39.793 38.460 0.049 0.000 1.304 608 Y HN 0.498 nan 8.280 nan 0.000 0.455 609 M N 2.938 122.707 119.600 0.281 0.000 2.209 609 M HA 0.354 4.834 4.480 0.000 0.000 0.355 609 M C -1.245 175.265 176.300 0.350 0.000 1.171 609 M CA -0.684 54.763 55.300 0.246 0.000 1.069 609 M CB 1.402 34.151 32.600 0.248 0.000 1.622 609 M HN 0.740 nan 8.290 nan 0.000 0.459 610 L N 3.713 125.119 121.223 0.305 0.000 2.297 610 L HA 0.630 4.970 4.340 0.000 0.000 0.277 610 L C 0.469 177.507 176.870 0.281 0.000 1.040 610 L CA 0.618 55.665 54.840 0.345 0.000 0.867 610 L CB 0.130 42.416 42.059 0.378 0.000 1.244 610 L HN 0.969 nan 8.230 nan 0.000 0.433 611 G N 3.900 112.789 108.800 0.150 0.000 2.697 611 G HA2 -0.321 3.639 3.960 0.000 0.000 0.240 611 G HA3 -0.321 3.639 3.960 0.000 0.000 0.240 611 G C 0.419 175.409 174.900 0.149 0.000 1.346 611 G CA 0.134 45.273 45.100 0.064 0.000 0.887 611 G HN 0.550 nan 8.290 nan 0.000 0.569 612 D N 0.367 120.843 120.400 0.127 0.000 2.144 612 D HA -0.054 4.586 4.640 0.000 0.000 0.199 612 D C 2.125 178.508 176.300 0.138 0.000 0.984 612 D CA 1.714 55.771 54.000 0.094 0.000 0.834 612 D CB -0.012 40.828 40.800 0.068 0.000 0.955 612 D HN 0.371 nan 8.370 nan 0.000 0.465 613 N N -0.537 118.295 118.700 0.219 0.000 2.197 613 N HA 0.043 4.783 4.740 0.000 0.000 0.201 613 N C -0.136 175.397 175.510 0.039 0.000 1.148 613 N CA 0.015 53.101 53.050 0.060 0.000 0.883 613 N CB 2.134 40.586 38.487 -0.059 0.000 1.012 613 N HN 0.074 nan 8.380 nan 0.000 0.507 614 V N 1.180 121.184 119.914 0.149 0.000 2.531 614 V HA 0.507 4.627 4.120 0.000 0.000 0.301 614 V C -0.710 175.477 176.094 0.154 0.000 1.034 614 V CA -0.788 61.581 62.300 0.116 0.000 0.865 614 V CB 2.188 33.987 31.823 -0.040 0.000 0.995 614 V HN -0.075 nan 8.190 nan 0.000 0.424 615 M N 7.556 127.236 119.600 0.134 0.000 2.113 615 M HA 0.514 4.994 4.480 0.000 0.000 0.352 615 M C -1.081 175.060 176.300 -0.265 0.000 1.170 615 M CA -0.223 55.030 55.300 -0.078 0.000 1.053 615 M CB 1.143 33.593 32.600 -0.250 0.000 1.601 615 M HN 0.876 nan 8.290 nan 0.000 0.459 616 V N 5.171 124.802 119.914 -0.472 0.000 2.459 616 V HA 0.895 5.015 4.120 0.000 0.000 0.295 616 V C -0.907 174.808 176.094 -0.632 0.000 1.029 616 V CA -0.398 61.554 62.300 -0.579 0.000 0.874 616 V CB 1.445 32.969 31.823 -0.499 0.000 0.985 616 V HN 0.958 nan 8.190 nan 0.000 0.438 617 A N 7.614 130.162 122.820 -0.453 0.000 2.399 617 A HA 0.854 5.174 4.320 0.000 0.000 0.327 617 A C -2.696 174.734 177.584 -0.256 0.000 1.367 617 A CA -1.809 50.048 52.037 -0.300 0.000 0.842 617 A CB 0.631 19.455 19.000 -0.293 0.000 1.142 617 A HN 0.771 nan 8.150 nan 0.000 0.495 618 P HA 0.140 nan 4.420 nan 0.000 0.268 618 P C -0.322 176.679 177.300 -0.499 0.000 1.208 618 P CA 0.046 62.879 63.100 -0.445 0.000 0.777 618 P CB 0.670 31.895 31.700 -0.793 0.000 0.875 619 V N 3.519 123.163 119.914 -0.450 0.000 2.364 619 V HA 0.199 4.319 4.120 0.000 0.000 0.272 619 V C 0.250 176.054 176.094 -0.483 0.000 1.036 619 V CA 0.191 62.321 62.300 -0.283 0.000 0.880 619 V CB -0.023 31.740 31.823 -0.100 0.000 0.991 619 V HN 0.428 nan 8.190 nan 0.000 0.460 620 F N 2.865 122.670 119.950 -0.243 0.000 2.837 620 F HA 0.302 4.829 4.527 0.000 0.000 0.298 620 F C 1.024 176.282 175.800 -0.903 0.000 1.161 620 F CA -0.293 57.412 58.000 -0.492 0.000 1.353 620 F CB 0.560 39.444 39.000 -0.193 0.000 0.951 620 F HN 0.555 nan 8.300 nan 0.000 0.508 621 T N -4.710 109.444 114.554 -0.667 0.000 2.916 621 T HA 0.267 4.617 4.350 0.000 0.000 0.305 621 T C 0.675 175.260 174.700 -0.191 0.000 1.119 621 T CA -0.715 61.130 62.100 -0.425 0.000 1.008 621 T CB 2.335 71.139 68.868 -0.106 0.000 1.129 621 T HN 0.190 nan 8.240 nan 0.000 0.480 622 E N 1.322 121.571 120.200 0.082 0.000 2.051 622 E HA -0.109 4.241 4.350 0.000 0.000 0.192 622 E C 2.278 178.901 176.600 0.039 0.000 0.991 622 E CA 1.335 57.828 56.400 0.155 0.000 0.799 622 E CB -0.432 29.144 29.700 -0.207 0.000 0.748 622 E HN 0.816 nan 8.360 nan 0.000 0.449 623 A N 0.015 122.828 122.820 -0.012 0.000 1.978 623 A HA -0.043 4.277 4.320 0.000 0.000 0.220 623 A C 1.947 179.485 177.584 -0.076 0.000 1.170 623 A CA 1.821 53.834 52.037 -0.040 0.000 0.636 623 A CB -0.649 18.343 19.000 -0.014 0.000 0.810 623 A HN 0.598 nan 8.150 nan 0.000 0.448 624 G N -1.291 107.475 108.800 -0.057 0.000 2.168 624 G HA2 -0.144 3.816 3.960 0.000 0.000 0.197 624 G HA3 -0.144 3.816 3.960 0.000 0.000 0.197 624 G C -0.457 174.471 174.900 0.047 0.000 0.997 624 G CA 0.081 45.161 45.100 -0.033 0.000 0.658 624 G HN 0.495 nan 8.290 nan 0.000 0.513 625 D N 0.240 120.662 120.400 0.037 0.000 2.424 625 D HA 0.446 5.086 4.640 0.000 0.000 0.244 625 D C 0.019 176.388 176.300 0.115 0.000 1.134 625 D CA 0.579 54.624 54.000 0.076 0.000 0.881 625 D CB 2.465 43.293 40.800 0.047 0.000 1.191 625 D HN 0.486 nan 8.370 nan 0.000 0.445 626 V N 1.977 122.003 119.914 0.186 0.000 2.891 626 V HA 0.188 4.308 4.120 0.000 0.000 0.304 626 V C -1.661 174.626 176.094 0.321 0.000 1.171 626 V CA -0.592 61.856 62.300 0.246 0.000 0.943 626 V CB 2.216 34.181 31.823 0.237 0.000 1.037 626 V HN 0.453 nan 8.190 nan 0.000 0.427 627 Q N 5.360 125.357 119.800 0.329 0.000 2.333 627 Q HA 0.729 5.069 4.340 0.000 0.000 0.267 627 Q C -1.434 174.889 176.000 0.539 0.000 1.012 627 Q CA -0.474 55.548 55.803 0.364 0.000 0.824 627 Q CB 2.444 31.358 28.738 0.295 0.000 1.290 627 Q HN 0.739 nan 8.270 nan 0.000 0.449 628 F N -0.638 119.450 119.950 0.230 0.000 2.613 628 F HA 0.564 5.091 4.527 0.000 0.000 0.310 628 F C -1.642 173.795 175.800 -0.605 0.000 1.085 628 F CA -1.439 56.451 58.000 -0.183 0.000 0.945 628 F CB 0.972 39.861 39.000 -0.184 0.000 1.298 628 F HN 0.420 nan 8.300 nan 0.000 0.455 629 Y N 2.728 122.384 120.300 -1.073 0.000 2.342 629 Y HA 0.721 5.271 4.550 0.000 0.000 0.334 629 Y C -1.688 173.823 175.900 -0.648 0.000 1.067 629 Y CA -1.242 56.139 58.100 -1.200 0.000 1.128 629 Y CB 1.379 38.968 38.460 -1.451 0.000 1.200 629 Y HN 0.698 nan 8.280 nan 0.000 0.464 630 L N 9.154 129.486 121.223 -1.485 0.000 2.333 630 L HA 0.559 4.899 4.340 0.000 0.000 0.280 630 L C -2.267 173.717 176.870 -1.477 0.000 1.004 630 L CA -2.812 51.201 54.840 -1.378 0.000 0.820 630 L CB 1.409 42.803 42.059 -1.107 0.000 1.247 630 L HN 0.604 nan 8.230 nan 0.000 0.416 631 P HA 0.007 nan 4.420 nan 0.000 0.272 631 P C -0.589 176.692 177.300 -0.031 0.000 1.248 631 P CA -0.392 62.441 63.100 -0.446 0.000 0.799 631 P CB 0.326 31.493 31.700 -0.887 0.000 0.997 632 E N 0.669 120.905 120.200 0.060 0.000 2.502 632 E HA 0.271 4.621 4.350 0.000 0.000 0.261 632 E C 0.146 176.851 176.600 0.176 0.000 0.974 632 E CA 0.210 56.679 56.400 0.115 0.000 0.936 632 E CB -0.467 29.298 29.700 0.109 0.000 0.926 632 E HN 0.664 nan 8.360 nan 0.000 0.459 633 G N 2.386 111.266 108.800 0.134 0.000 2.357 633 G HA2 -0.071 3.889 3.960 0.000 0.000 0.643 633 G HA3 -0.071 3.889 3.960 0.000 0.000 0.643 633 G C -1.252 173.706 174.900 0.097 0.000 1.358 633 G CA -0.544 44.576 45.100 0.034 0.000 0.986 633 G HN 0.656 nan 8.290 nan 0.000 0.620 634 R N -0.049 120.441 120.500 -0.017 0.000 2.215 634 R HA 0.515 4.855 4.340 0.000 0.000 0.337 634 R C -0.836 175.476 176.300 0.019 0.000 1.010 634 R CA -0.679 55.457 56.100 0.060 0.000 0.871 634 R CB 0.396 30.720 30.300 0.040 0.000 1.134 634 R HN 0.449 nan 8.270 nan 0.000 0.477 635 W N 2.241 123.526 121.300 -0.024 0.000 2.449 635 W HA 0.345 5.005 4.660 0.000 0.000 0.331 635 W C -0.070 176.539 176.519 0.151 0.000 1.119 635 W CA -0.223 57.130 57.345 0.014 0.000 1.240 635 W CB 2.038 31.450 29.460 -0.080 0.000 1.251 635 W HN 0.321 nan 8.180 nan 0.000 0.576 636 T N 2.332 117.129 114.554 0.403 0.000 2.812 636 T HA 0.089 4.439 4.350 0.000 0.000 0.282 636 T C -0.596 174.202 174.700 0.163 0.000 0.990 636 T CA -0.613 61.702 62.100 0.357 0.000 0.960 636 T CB 0.754 69.863 68.868 0.401 0.000 0.948 636 T HN 0.247 nan 8.240 nan 0.000 0.438 637 H N 2.972 121.985 119.070 -0.096 0.000 2.964 637 H HA 0.050 4.606 4.556 0.000 0.000 0.328 637 H C 0.925 176.049 175.328 -0.340 0.000 1.030 637 H CA -0.275 55.388 56.048 -0.642 0.000 1.445 637 H CB 0.824 30.193 29.762 -0.655 0.000 1.449 637 H HN 0.545 nan 8.280 nan 0.000 0.581 638 L N 6.046 126.990 121.223 -0.465 0.000 2.131 638 L HA -0.131 4.209 4.340 0.000 0.000 0.210 638 L C 1.621 178.624 176.870 0.221 0.000 1.092 638 L CA 1.995 56.784 54.840 -0.086 0.000 0.759 638 L CB -0.325 41.672 42.059 -0.103 0.000 0.903 638 L HN 0.803 nan 8.230 nan 0.000 0.435 639 W N -4.500 116.928 121.300 0.213 0.000 2.782 639 W HA 0.282 4.942 4.660 0.000 0.000 0.268 639 W C 1.777 178.301 176.519 0.008 0.000 1.043 639 W CA -0.051 57.331 57.345 0.062 0.000 1.387 639 W CB -0.671 28.801 29.460 0.020 0.000 0.904 639 W HN -0.093 nan 8.180 nan 0.000 0.625 640 H N 1.099 119.928 119.070 -0.403 0.000 2.502 640 H HA 0.030 4.586 4.556 0.000 0.000 0.283 640 H C 0.801 176.073 175.328 -0.094 0.000 1.015 640 H CA 1.277 57.115 56.048 -0.350 0.000 1.298 640 H CB -0.310 28.998 29.762 -0.757 0.000 1.411 640 H HN 0.192 nan 8.280 nan 0.000 0.556 641 N N 1.055 119.825 118.700 0.117 0.000 2.900 641 N HA -0.172 4.568 4.740 0.000 0.000 0.240 641 N C -0.548 175.061 175.510 0.165 0.000 0.953 641 N CA 1.098 54.246 53.050 0.164 0.000 0.950 641 N CB -1.033 37.538 38.487 0.140 0.000 1.102 641 N HN 0.702 nan 8.380 nan 0.000 0.593 642 D N 0.153 120.647 120.400 0.158 0.000 2.372 642 D HA 0.103 4.743 4.640 0.000 0.000 0.243 642 D C -0.182 176.280 176.300 0.271 0.000 1.121 642 D CA 0.339 54.440 54.000 0.169 0.000 0.898 642 D CB 0.921 41.797 40.800 0.127 0.000 1.202 642 D HN 0.302 nan 8.370 nan 0.000 0.428 643 E N 0.569 120.893 120.200 0.207 0.000 2.207 643 E HA 0.611 4.962 4.350 0.000 0.000 0.270 643 E C -0.605 176.066 176.600 0.118 0.000 0.927 643 E CA -0.900 55.624 56.400 0.206 0.000 0.799 643 E CB 2.354 32.144 29.700 0.151 0.000 1.172 643 E HN 0.362 nan 8.360 nan 0.000 0.404 644 L N 1.633 122.896 121.223 0.066 0.000 2.445 644 L HA 0.383 4.723 4.340 0.000 0.000 0.262 644 L C -0.918 175.966 176.870 0.022 0.000 0.974 644 L CA -0.994 53.784 54.840 -0.103 0.000 0.822 644 L CB 2.209 43.931 42.059 -0.563 0.000 1.339 644 L HN 0.425 nan 8.230 nan 0.000 0.409 645 D N 1.436 121.873 120.400 0.062 0.000 2.256 645 D HA 0.393 5.033 4.640 0.000 0.000 0.250 645 D C 0.120 176.490 176.300 0.116 0.000 1.093 645 D CA 0.083 54.147 54.000 0.106 0.000 0.882 645 D CB 2.478 43.325 40.800 0.078 0.000 1.185 645 D HN 0.672 nan 8.370 nan 0.000 0.437 646 G N -0.561 108.298 108.800 0.099 0.000 2.606 646 G HA2 0.314 4.274 3.960 0.000 0.000 0.262 646 G HA3 0.314 4.274 3.960 0.000 0.000 0.262 646 G C 0.104 174.943 174.900 -0.103 0.000 1.394 646 G CA -0.401 44.679 45.100 -0.033 0.000 1.044 646 G HN 0.465 nan 8.290 nan 0.000 0.553 647 S N -1.547 114.032 115.700 -0.201 0.000 3.561 647 S HA -0.173 4.297 4.470 0.000 0.000 0.318 647 S C 0.318 174.916 174.600 -0.004 0.000 1.181 647 S CA 1.679 59.854 58.200 -0.041 0.000 0.916 647 S CB -1.429 61.800 63.200 0.049 0.000 0.966 647 S HN 1.153 nan 8.310 nan 0.000 0.550 648 R N -1.831 118.501 120.500 -0.280 0.000 2.692 648 R HA 0.512 4.852 4.340 0.000 0.000 0.269 648 R C -1.363 174.681 176.300 -0.427 0.000 1.030 648 R CA -1.104 54.902 56.100 -0.158 0.000 0.882 648 R CB 0.294 30.459 30.300 -0.226 0.000 1.250 648 R HN 0.105 nan 8.270 nan 0.000 0.465 649 W N 1.545 122.685 121.300 -0.267 0.000 2.150 649 W HA 0.330 4.990 4.660 0.000 0.000 0.341 649 W C 0.515 176.565 176.519 -0.781 0.000 1.276 649 W CA 0.747 57.864 57.345 -0.381 0.000 1.238 649 W CB 0.560 29.911 29.460 -0.183 0.000 1.128 649 W HN 0.308 nan 8.180 nan 0.000 0.581 650 H N 1.351 120.181 119.070 -0.400 0.000 2.821 650 H HA 0.367 4.923 4.556 0.000 0.000 0.373 650 H C -1.050 174.014 175.328 -0.441 0.000 1.165 650 H CA -1.160 54.558 56.048 -0.550 0.000 1.154 650 H CB 2.464 31.623 29.762 -1.005 0.000 1.765 650 H HN 0.237 nan 8.280 nan 0.000 0.549 651 K N 2.124 122.476 120.400 -0.081 0.000 2.426 651 K HA 0.339 4.659 4.320 0.000 0.000 0.254 651 K C -1.030 175.625 176.600 0.091 0.000 0.936 651 K CA -0.397 55.903 56.287 0.021 0.000 0.801 651 K CB 1.680 34.192 32.500 0.021 0.000 1.139 651 K HN 0.616 nan 8.250 nan 0.000 0.424 652 Q N 1.381 121.307 119.800 0.210 0.000 2.528 652 Q HA 0.297 4.637 4.340 0.000 0.000 0.289 652 Q C -1.460 174.647 176.000 0.178 0.000 1.091 652 Q CA -1.131 54.804 55.803 0.220 0.000 0.797 652 Q CB 2.478 31.476 28.738 0.434 0.000 1.466 652 Q HN 0.372 nan 8.270 nan 0.000 0.436 653 Q N 1.348 121.169 119.800 0.036 0.000 2.321 653 Q HA 0.316 4.656 4.340 0.000 0.000 0.270 653 Q C -1.765 174.148 176.000 -0.146 0.000 1.032 653 Q CA -0.248 55.562 55.803 0.013 0.000 0.784 653 Q CB 1.379 30.103 28.738 -0.023 0.000 1.264 653 Q HN 0.716 nan 8.270 nan 0.000 0.448 654 H N 1.589 120.659 119.070 -0.000 0.000 2.538 654 H HA 0.447 5.003 4.556 0.000 0.000 0.353 654 H C 0.060 175.342 175.328 -0.077 0.000 1.109 654 H CA -0.456 55.594 56.048 0.003 0.000 1.192 654 H CB 2.019 31.828 29.762 0.078 0.000 1.555 654 H HN 0.822 nan 8.280 nan 0.000 0.518 655 G N 0.623 109.432 108.800 0.014 0.000 2.653 655 G HA2 0.079 4.039 3.960 0.000 0.000 0.265 655 G HA3 0.079 4.039 3.960 0.000 0.000 0.265 655 G C 0.286 175.189 174.900 0.005 0.000 1.237 655 G CA -0.361 44.675 45.100 -0.107 0.000 0.946 655 G HN 0.479 nan 8.290 nan 0.000 0.522 656 F N -1.045 119.026 119.950 0.201 0.000 2.546 656 F HA 0.068 4.595 4.527 0.000 0.000 0.298 656 F C 2.172 178.158 175.800 0.310 0.000 1.120 656 F CA 0.206 58.352 58.000 0.243 0.000 1.456 656 F CB -0.009 39.124 39.000 0.222 0.000 1.088 656 F HN 0.073 nan 8.300 nan 0.000 0.572 657 L N -1.470 119.954 121.223 0.335 0.000 2.592 657 L HA 0.189 4.529 4.340 0.000 0.000 0.227 657 L C 0.671 177.707 176.870 0.277 0.000 1.127 657 L CA 0.227 55.124 54.840 0.095 0.000 0.884 657 L CB -0.711 41.198 42.059 -0.249 0.000 1.065 657 L HN -0.038 nan 8.230 nan 0.000 0.457 658 S N -0.320 115.711 115.700 0.552 0.000 2.595 658 S HA 0.872 5.342 4.470 0.000 0.000 0.281 658 S C -1.013 173.879 174.600 0.487 0.000 1.117 658 S CA -0.617 58.023 58.200 0.733 0.000 0.873 658 S CB 1.266 64.937 63.200 0.786 0.000 1.108 658 S HN 0.118 nan 8.310 nan 0.000 0.477 659 L N -0.299 121.092 121.223 0.279 0.000 2.720 659 L HA 0.748 5.088 4.340 0.000 0.000 0.261 659 L C -3.105 173.479 176.870 -0.477 0.000 1.046 659 L CA -2.589 52.047 54.840 -0.341 0.000 0.886 659 L CB 1.562 43.546 42.059 -0.126 0.000 1.493 659 L HN 0.329 nan 8.230 nan 0.000 0.407 660 P HA 0.167 nan 4.420 nan 0.000 0.260 660 P C -0.912 176.053 177.300 -0.558 0.000 1.207 660 P CA 0.189 62.959 63.100 -0.550 0.000 0.780 660 P CB 0.646 31.758 31.700 -0.980 0.000 0.789 661 V N 5.943 125.324 119.914 -0.888 0.000 2.439 661 V HA 0.276 4.396 4.120 0.000 0.000 0.277 661 V C -0.845 174.619 176.094 -1.051 0.000 1.008 661 V CA -0.511 61.345 62.300 -0.740 0.000 0.846 661 V CB 0.374 31.922 31.823 -0.458 0.000 1.031 661 V HN 0.352 nan 8.190 nan 0.000 0.441 662 Y N 2.562 122.602 120.300 -0.434 0.000 2.352 662 Y HA 0.653 5.203 4.550 0.000 0.000 0.339 662 Y C 0.163 176.081 175.900 0.029 0.000 0.992 662 Y CA -0.819 57.166 58.100 -0.193 0.000 1.100 662 Y CB 2.247 40.639 38.460 -0.114 0.000 1.192 662 Y HN 0.382 nan 8.280 nan 0.000 0.458 663 V N 4.547 124.447 119.914 -0.024 0.000 2.439 663 V HA 0.386 4.506 4.120 0.000 0.000 0.282 663 V C 0.245 176.126 176.094 -0.355 0.000 1.039 663 V CA -1.212 60.891 62.300 -0.329 0.000 0.913 663 V CB 1.240 32.411 31.823 -1.087 0.000 0.983 663 V HN 0.694 nan 8.190 nan 0.000 0.460 664 R N 2.793 122.900 120.500 -0.654 0.000 2.679 664 R HA 0.085 4.425 4.340 0.000 0.000 0.268 664 R C 0.100 176.030 176.300 -0.617 0.000 1.044 664 R CA -0.400 55.009 56.100 -1.152 0.000 1.105 664 R CB 0.423 30.257 30.300 -0.776 0.000 0.989 664 R HN 0.965 nan 8.270 nan 0.000 0.447 665 D N 2.382 122.431 120.400 -0.584 0.000 2.363 665 D HA -0.097 4.543 4.640 0.000 0.000 0.240 665 D C -0.327 175.862 176.300 -0.186 0.000 1.236 665 D CA -0.136 53.702 54.000 -0.270 0.000 0.927 665 D CB 0.239 40.899 40.800 -0.234 0.000 1.150 665 D HN 0.647 nan 8.370 nan 0.000 0.458 666 N N -1.017 117.620 118.700 -0.106 0.000 2.716 666 N HA -0.161 4.579 4.740 0.000 0.000 0.250 666 N C -0.881 174.623 175.510 -0.009 0.000 1.033 666 N CA 1.006 54.021 53.050 -0.058 0.000 0.727 666 N CB -1.497 36.944 38.487 -0.076 0.000 0.950 666 N HN 0.533 nan 8.380 nan 0.000 0.541 667 T N 1.010 115.586 114.554 0.036 0.000 2.807 667 T HA 0.504 4.854 4.350 0.000 0.000 0.279 667 T C -0.038 174.780 174.700 0.195 0.000 0.993 667 T CA -0.555 61.588 62.100 0.073 0.000 0.970 667 T CB 2.303 71.154 68.868 -0.027 0.000 0.950 667 T HN 0.117 nan 8.240 nan 0.000 0.441 668 L N 4.460 125.772 121.223 0.148 0.000 2.294 668 L HA 0.674 5.014 4.340 0.000 0.000 0.283 668 L C -1.324 175.682 176.870 0.228 0.000 1.015 668 L CA -0.781 54.169 54.840 0.183 0.000 0.831 668 L CB 0.900 43.008 42.059 0.083 0.000 1.217 668 L HN 0.511 nan 8.230 nan 0.000 0.420 669 L N 4.792 126.207 121.223 0.321 0.000 2.322 669 L HA 0.834 5.174 4.340 0.000 0.000 0.281 669 L C -0.272 176.787 176.870 0.315 0.000 1.014 669 L CA -0.248 54.742 54.840 0.250 0.000 0.815 669 L CB 1.771 43.961 42.059 0.217 0.000 1.247 669 L HN 0.714 nan 8.230 nan 0.000 0.421 670 A N 5.274 128.235 122.820 0.235 0.000 2.252 670 A HA 0.644 4.964 4.320 0.000 0.000 0.309 670 A C -1.040 176.581 177.584 0.062 0.000 1.285 670 A CA -0.391 51.688 52.037 0.070 0.000 0.900 670 A CB 0.025 19.055 19.000 0.051 0.000 1.157 670 A HN 0.520 nan 8.150 nan 0.000 0.536 671 L N 2.359 123.621 121.223 0.064 0.000 2.322 671 L HA 0.706 5.047 4.340 0.000 0.000 0.279 671 L C 0.922 177.837 176.870 0.075 0.000 1.036 671 L CA 0.100 54.998 54.840 0.095 0.000 0.807 671 L CB 1.595 43.751 42.059 0.161 0.000 1.226 671 L HN 0.763 nan 8.230 nan 0.000 0.433 672 G N 0.768 109.666 108.800 0.163 0.000 2.491 672 G HA2 0.361 4.321 3.960 0.000 0.000 0.327 672 G HA3 0.361 4.321 3.960 0.000 0.000 0.327 672 G C 0.220 175.252 174.900 0.219 0.000 1.189 672 G CA -0.441 44.843 45.100 0.307 0.000 0.956 672 G HN 0.701 nan 8.290 nan 0.000 0.491 673 N N -0.332 118.478 118.700 0.185 0.000 2.279 673 N HA 0.031 4.771 4.740 0.000 0.000 0.226 673 N C -0.304 175.108 175.510 -0.163 0.000 1.126 673 N CA -0.440 52.619 53.050 0.014 0.000 0.846 673 N CB 0.377 38.878 38.487 0.022 0.000 1.050 673 N HN 0.308 nan 8.380 nan 0.000 0.502 674 N N 1.113 119.582 118.700 -0.385 0.000 2.399 674 N HA 0.084 4.824 4.740 0.000 0.000 0.284 674 N C -1.102 174.220 175.510 -0.313 0.000 1.025 674 N CA -0.280 52.418 53.050 -0.587 0.000 0.885 674 N CB 1.634 39.291 38.487 -1.384 0.000 1.339 674 N HN 0.178 nan 8.380 nan 0.000 0.487 675 D N 1.883 122.186 120.400 -0.161 0.000 2.501 675 D HA 0.093 4.733 4.640 0.000 0.000 0.226 675 D C 0.198 176.493 176.300 -0.010 0.000 1.198 675 D CA 0.272 54.232 54.000 -0.067 0.000 0.830 675 D CB 0.515 41.270 40.800 -0.075 0.000 1.014 675 D HN 0.354 nan 8.370 nan 0.000 0.496 676 Q N 0.285 120.079 119.800 -0.011 0.000 2.322 676 Q HA 0.191 4.531 4.340 0.000 0.000 0.250 676 Q C 0.450 176.592 176.000 0.238 0.000 0.853 676 Q CA 0.377 56.231 55.803 0.086 0.000 0.951 676 Q CB 1.604 30.356 28.738 0.024 0.000 1.114 676 Q HN 0.495 nan 8.270 nan 0.000 0.523 677 R N -0.438 120.141 120.500 0.131 0.000 2.680 677 R HA 0.380 4.720 4.340 0.000 0.000 0.269 677 R C -2.651 173.759 176.300 0.184 0.000 1.026 677 R CA -1.335 54.815 56.100 0.083 0.000 0.889 677 R CB 1.257 31.640 30.300 0.139 0.000 1.241 677 R HN -0.308 nan 8.270 nan 0.000 0.463 678 P HA -0.035 nan 4.420 nan 0.000 0.230 678 P C -0.689 176.846 177.300 0.392 0.000 1.168 678 P CA 0.819 64.081 63.100 0.269 0.000 0.793 678 P CB 0.148 31.936 31.700 0.146 0.000 0.851 679 D N 0.669 121.243 120.400 0.290 0.000 2.473 679 D HA 0.185 4.825 4.640 0.000 0.000 0.226 679 D C -0.262 176.055 176.300 0.027 0.000 1.089 679 D CA -0.784 53.271 54.000 0.091 0.000 0.883 679 D CB 0.211 41.069 40.800 0.097 0.000 1.029 679 D HN 0.231 nan 8.370 nan 0.000 0.517 680 Y N -1.297 118.748 120.300 -0.425 0.000 2.840 680 Y HA 0.471 5.021 4.550 0.000 0.000 0.324 680 Y C -1.298 174.084 175.900 -0.863 0.000 1.378 680 Y CA -1.744 56.082 58.100 -0.457 0.000 1.077 680 Y CB 0.970 39.318 38.460 -0.187 0.000 1.361 680 Y HN -0.022 nan 8.280 nan 0.000 0.459 681 V N 3.823 123.517 119.914 -0.367 0.000 2.313 681 V HA 0.063 4.183 4.120 0.000 0.000 0.252 681 V C -0.119 175.797 176.094 -0.297 0.000 1.112 681 V CA -0.413 61.615 62.300 -0.453 0.000 0.984 681 V CB -0.647 30.975 31.823 -0.335 0.000 1.157 681 V HN 0.825 nan 8.190 nan 0.000 0.493 682 W N 4.386 125.562 121.300 -0.207 0.000 2.425 682 W HA -0.107 4.553 4.660 0.000 0.000 0.277 682 W C 2.161 178.657 176.519 -0.037 0.000 1.231 682 W CA 1.414 58.645 57.345 -0.190 0.000 1.248 682 W CB -0.723 28.597 29.460 -0.235 0.000 1.117 682 W HN 0.955 nan 8.180 nan 0.000 0.568 683 H N -0.350 118.815 119.070 0.158 0.000 2.551 683 H HA 0.171 4.727 4.556 0.000 0.000 0.266 683 H C -0.466 174.897 175.328 0.058 0.000 0.977 683 H CA 0.508 56.614 56.048 0.097 0.000 1.163 683 H CB -0.311 29.504 29.762 0.088 0.000 1.381 683 H HN 0.099 nan 8.280 nan 0.000 0.581 684 E N 0.601 120.652 120.200 -0.248 0.000 2.174 684 E HA 0.368 4.718 4.350 0.000 0.000 0.282 684 E C 0.279 176.890 176.600 0.019 0.000 0.992 684 E CA -0.157 56.187 56.400 -0.093 0.000 0.803 684 E CB 1.382 30.988 29.700 -0.156 0.000 1.090 684 E HN 0.522 nan 8.360 nan 0.000 0.396 685 G N 3.046 111.887 108.800 0.069 0.000 2.136 685 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 685 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 685 G C 0.322 175.271 174.900 0.081 0.000 0.989 685 G CA 0.098 45.242 45.100 0.073 0.000 0.682 685 G HN 0.506 nan 8.290 nan 0.000 0.522 686 T N 0.787 115.384 114.554 0.072 0.000 2.930 686 T HA 0.520 4.870 4.350 0.000 0.000 0.306 686 T C 0.598 175.217 174.700 -0.136 0.000 1.045 686 T CA 0.744 62.782 62.100 -0.104 0.000 1.134 686 T CB 1.723 70.378 68.868 -0.355 0.000 0.961 686 T HN 1.478 nan 8.240 nan 0.000 0.545 687 A N 3.446 126.161 122.820 -0.175 0.000 2.316 687 A HA 0.637 4.957 4.320 0.000 0.000 0.324 687 A C -0.485 176.996 177.584 -0.173 0.000 1.375 687 A CA -0.733 51.253 52.037 -0.086 0.000 0.882 687 A CB -0.184 18.866 19.000 0.082 0.000 1.152 687 A HN 0.691 nan 8.150 nan 0.000 0.512 688 F N 2.229 122.190 119.950 0.019 0.000 2.396 688 F HA 0.358 4.886 4.527 0.000 0.000 0.343 688 F C 0.961 176.627 175.800 -0.224 0.000 1.104 688 F CA 0.449 58.458 58.000 0.015 0.000 1.161 688 F CB 0.948 39.968 39.000 0.032 0.000 1.146 688 F HN 0.484 nan 8.300 nan 0.000 0.522 689 H N 3.822 123.017 119.070 0.208 0.000 2.547 689 H HA 0.379 4.936 4.556 0.000 0.000 0.342 689 H C -1.196 174.095 175.328 -0.061 0.000 1.048 689 H CA -0.878 55.164 56.048 -0.011 0.000 1.204 689 H CB 2.461 32.179 29.762 -0.073 0.000 1.493 689 H HN 0.453 nan 8.280 nan 0.000 0.511 690 L N 4.049 125.198 121.223 -0.123 0.000 2.296 690 L HA 0.402 4.742 4.340 0.000 0.000 0.286 690 L C -1.525 175.213 176.870 -0.219 0.000 1.023 690 L CA -0.264 54.541 54.840 -0.058 0.000 0.812 690 L CB 0.271 42.316 42.059 -0.023 0.000 1.223 690 L HN 0.333 nan 8.230 nan 0.000 0.421 691 F N 4.100 124.066 119.950 0.028 0.000 2.427 691 F HA 0.409 4.936 4.527 0.000 0.000 0.348 691 F C 0.767 176.546 175.800 -0.036 0.000 1.125 691 F CA -0.703 57.299 58.000 0.003 0.000 0.989 691 F CB 0.915 39.901 39.000 -0.023 0.000 1.165 691 F HN 0.632 nan 8.300 nan 0.000 0.442 692 N N 2.880 121.643 118.700 0.104 0.000 2.678 692 N HA -0.233 4.507 4.740 0.000 0.000 0.268 692 N C -0.865 174.630 175.510 -0.024 0.000 1.010 692 N CA -0.130 52.940 53.050 0.033 0.000 0.784 692 N CB -0.385 38.116 38.487 0.023 0.000 0.905 692 N HN 0.487 nan 8.380 nan 0.000 0.552 693 L N 1.549 122.763 121.223 -0.014 0.000 2.315 693 L HA 0.123 4.463 4.340 0.000 0.000 0.283 693 L C 0.617 177.455 176.870 -0.052 0.000 1.089 693 L CA 0.062 54.883 54.840 -0.032 0.000 0.833 693 L CB 0.589 42.651 42.059 0.006 0.000 1.170 693 L HN 0.341 nan 8.230 nan 0.000 0.442 694 Q N 2.386 122.097 119.800 -0.149 0.000 2.260 694 Q HA 0.104 4.444 4.340 0.000 0.000 0.238 694 Q C -0.560 175.486 176.000 0.077 0.000 0.948 694 Q CA -0.714 55.022 55.803 -0.111 0.000 0.895 694 Q CB 1.338 29.872 28.738 -0.341 0.000 1.218 694 Q HN 0.495 nan 8.270 nan 0.000 0.470 695 D N 0.179 120.635 120.400 0.094 0.000 2.531 695 D HA 0.061 4.701 4.640 0.000 0.000 0.239 695 D C 0.596 177.016 176.300 0.200 0.000 1.144 695 D CA 1.926 55.995 54.000 0.115 0.000 0.869 695 D CB 0.092 40.938 40.800 0.077 0.000 1.160 695 D HN 0.706 nan 8.370 nan 0.000 0.484 696 G N 2.998 111.877 108.800 0.132 0.000 2.149 696 G HA2 -0.201 3.759 3.960 0.000 0.000 0.235 696 G HA3 -0.201 3.759 3.960 0.000 0.000 0.235 696 G C 0.101 174.966 174.900 -0.059 0.000 1.018 696 G CA 0.247 45.373 45.100 0.044 0.000 0.728 696 G HN 0.744 nan 8.290 nan 0.000 0.508 697 H N -0.731 118.337 119.070 -0.003 0.000 2.855 697 H HA 0.690 5.246 4.556 0.000 0.000 0.363 697 H C -0.687 174.635 175.328 -0.010 0.000 1.185 697 H CA -0.617 55.427 56.048 -0.007 0.000 1.174 697 H CB 2.359 32.117 29.762 -0.006 0.000 1.857 697 H HN 0.296 nan 8.280 nan 0.000 0.565 698 E N 0.569 120.838 120.200 0.114 0.000 2.314 698 E HA 0.574 4.924 4.350 0.000 0.000 0.272 698 E C -1.756 174.870 176.600 0.043 0.000 0.884 698 E CA -0.943 55.487 56.400 0.048 0.000 0.753 698 E CB 2.378 32.081 29.700 0.006 0.000 1.213 698 E HN 0.694 nan 8.360 nan 0.000 0.432 699 A N 3.351 126.183 122.820 0.020 0.000 2.318 699 A HA 0.584 4.904 4.320 0.000 0.000 0.317 699 A C -1.009 176.564 177.584 -0.018 0.000 1.159 699 A CA -0.575 51.469 52.037 0.013 0.000 0.799 699 A CB 1.198 20.215 19.000 0.028 0.000 1.194 699 A HN 0.308 nan 8.150 nan 0.000 0.479 700 V N 1.322 121.225 119.914 -0.019 0.000 2.483 700 V HA 0.534 4.654 4.120 0.000 0.000 0.295 700 V C -0.215 175.867 176.094 -0.019 0.000 1.035 700 V CA -0.593 61.677 62.300 -0.049 0.000 0.896 700 V CB 1.358 33.150 31.823 -0.052 0.000 0.986 700 V HN 1.029 nan 8.190 nan 0.000 0.447 701 C N 4.817 124.089 119.300 -0.047 0.000 2.381 701 C HA 0.587 5.047 4.460 0.000 0.000 0.328 701 C C -0.258 174.737 174.990 0.008 0.000 1.190 701 C CA -0.435 58.605 59.018 0.036 0.000 1.369 701 C CB 0.206 28.019 27.740 0.120 0.000 2.029 701 C HN 1.004 nan 8.230 nan 0.000 0.448 702 E N 4.212 124.440 120.200 0.047 0.000 2.109 702 E HA 0.438 4.788 4.350 0.000 0.000 0.278 702 E C -0.800 175.870 176.600 0.116 0.000 0.954 702 E CA -0.410 56.014 56.400 0.038 0.000 0.779 702 E CB 1.828 31.532 29.700 0.006 0.000 1.093 702 E HN 0.582 nan 8.360 nan 0.000 0.401 703 V N 5.957 125.983 119.914 0.187 0.000 2.406 703 V HA 0.268 4.388 4.120 0.000 0.000 0.272 703 V C -1.925 174.298 176.094 0.214 0.000 1.043 703 V CA -1.728 60.718 62.300 0.244 0.000 0.915 703 V CB 0.867 32.922 31.823 0.387 0.000 0.988 703 V HN 0.591 nan 8.190 nan 0.000 0.466 704 P HA 0.467 nan 4.420 nan 0.000 0.282 704 P C -0.549 176.991 177.300 0.399 0.000 1.259 704 P CA -0.386 62.867 63.100 0.254 0.000 0.826 704 P CB 1.618 33.459 31.700 0.235 0.000 1.064 705 A N 1.731 124.726 122.820 0.293 0.000 2.249 705 A HA 0.524 4.844 4.320 0.000 0.000 0.281 705 A C 1.695 179.480 177.584 0.334 0.000 1.127 705 A CA 0.152 52.335 52.037 0.244 0.000 0.833 705 A CB -0.576 18.491 19.000 0.112 0.000 1.140 705 A HN 0.507 nan 8.150 nan 0.000 0.502 706 A N -0.312 122.576 122.820 0.112 0.000 2.070 706 A HA -0.101 4.219 4.320 0.000 0.000 0.220 706 A C 1.186 178.942 177.584 0.286 0.000 1.159 706 A CA 2.023 54.095 52.037 0.059 0.000 0.656 706 A CB -0.639 18.295 19.000 -0.111 0.000 0.800 706 A HN 0.833 nan 8.150 nan 0.000 0.453 707 D N -2.748 117.802 120.400 0.251 0.000 2.340 707 D HA 0.302 4.942 4.640 0.000 0.000 0.217 707 D C 1.128 177.568 176.300 0.232 0.000 1.081 707 D CA 0.760 54.898 54.000 0.229 0.000 0.842 707 D CB -0.487 40.392 40.800 0.131 0.000 0.934 707 D HN 0.674 nan 8.370 nan 0.000 0.511 708 G N 0.339 109.332 108.800 0.322 0.000 2.199 708 G HA2 -0.301 3.659 3.960 0.000 0.000 0.254 708 G HA3 -0.301 3.659 3.960 0.000 0.000 0.254 708 G C 0.474 175.435 174.900 0.103 0.000 0.982 708 G CA 0.452 45.649 45.100 0.163 0.000 0.632 708 G HN 0.833 nan 8.290 nan 0.000 0.529 709 S N -0.621 115.147 115.700 0.113 0.000 2.614 709 S HA 0.641 5.111 4.470 0.000 0.000 0.265 709 S C 0.383 175.032 174.600 0.082 0.000 1.303 709 S CA -0.132 58.111 58.200 0.072 0.000 1.000 709 S CB 2.179 65.415 63.200 0.059 0.000 0.935 709 S HN 1.037 nan 8.310 nan 0.000 0.551 710 V N 2.698 122.644 119.914 0.052 0.000 2.432 710 V HA 0.254 4.374 4.120 0.000 0.000 0.271 710 V C 0.991 177.118 176.094 0.055 0.000 1.046 710 V CA -0.209 62.124 62.300 0.055 0.000 0.945 710 V CB 0.649 32.484 31.823 0.020 0.000 0.992 710 V HN 0.983 nan 8.190 nan 0.000 0.471 711 I N 3.998 124.616 120.570 0.080 0.000 3.708 711 I HA 0.338 4.508 4.170 0.000 0.000 0.302 711 I C -0.115 176.091 176.117 0.148 0.000 1.255 711 I CA 0.533 61.857 61.300 0.041 0.000 1.362 711 I CB 0.582 38.523 38.000 -0.098 0.000 1.100 711 I HN 0.540 nan 8.210 nan 0.000 0.434 712 F N 0.188 120.127 119.950 -0.018 0.000 2.596 712 F HA 0.455 4.982 4.527 0.000 0.000 0.311 712 F C -1.079 174.705 175.800 -0.027 0.000 1.116 712 F CA -0.528 57.461 58.000 -0.019 0.000 0.957 712 F CB 1.777 40.786 39.000 0.015 0.000 1.250 712 F HN -0.369 nan 8.300 nan 0.000 0.444 713 T N 6.378 120.463 114.554 -0.781 0.000 2.848 713 T HA 0.573 4.923 4.350 0.000 0.000 0.285 713 T C -1.263 172.806 174.700 -1.051 0.000 0.995 713 T CA -0.586 61.128 62.100 -0.643 0.000 0.970 713 T CB 1.535 70.185 68.868 -0.363 0.000 0.976 713 T HN 0.527 nan 8.240 nan 0.000 0.441 714 L N 3.199 123.964 121.223 -0.765 0.000 2.362 714 L HA 0.604 4.944 4.340 0.000 0.000 0.275 714 L C -0.613 176.018 176.870 -0.398 0.000 0.998 714 L CA -0.794 53.617 54.840 -0.715 0.000 0.820 714 L CB 1.658 43.142 42.059 -0.958 0.000 1.270 714 L HN 0.505 nan 8.230 nan 0.000 0.415 715 K N 3.292 123.517 120.400 -0.291 0.000 2.378 715 K HA 0.752 5.072 4.320 0.000 0.000 0.252 715 K C -1.126 175.404 176.600 -0.117 0.000 0.931 715 K CA -0.664 55.522 56.287 -0.168 0.000 0.794 715 K CB 2.713 35.133 32.500 -0.134 0.000 1.181 715 K HN 0.592 nan 8.250 nan 0.000 0.425 716 A N 1.481 124.259 122.820 -0.071 0.000 2.343 716 A HA 0.766 5.086 4.320 0.000 0.000 0.308 716 A C -1.232 176.345 177.584 -0.011 0.000 1.092 716 A CA -0.646 51.370 52.037 -0.034 0.000 0.751 716 A CB 1.436 20.423 19.000 -0.022 0.000 1.203 716 A HN 0.707 nan 8.150 nan 0.000 0.452 717 A N 2.463 125.282 122.820 -0.003 0.000 2.356 717 A HA 0.802 5.122 4.320 0.000 0.000 0.310 717 A C -0.207 177.389 177.584 0.020 0.000 1.075 717 A CA -0.642 51.401 52.037 0.010 0.000 0.746 717 A CB 0.996 19.995 19.000 -0.002 0.000 1.221 717 A HN 0.918 nan 8.150 nan 0.000 0.443 718 R N 1.252 121.774 120.500 0.037 0.000 2.494 718 R HA 0.656 4.996 4.340 0.000 0.000 0.305 718 R C -1.236 175.088 176.300 0.040 0.000 0.959 718 R CA -0.015 56.108 56.100 0.039 0.000 0.864 718 R CB 1.592 31.922 30.300 0.049 0.000 1.159 718 R HN 0.697 nan 8.270 nan 0.000 0.446 719 T N 2.926 117.497 114.554 0.029 0.000 2.937 719 T HA 0.519 4.869 4.350 0.000 0.000 0.297 719 T C 0.424 175.139 174.700 0.026 0.000 0.991 719 T CA 0.692 62.807 62.100 0.026 0.000 0.990 719 T CB 1.115 69.992 68.868 0.015 0.000 0.991 719 T HN 0.937 nan 8.240 nan 0.000 0.440 720 G N 5.468 114.286 108.800 0.029 0.000 2.565 720 G HA2 -0.276 3.684 3.960 0.000 0.000 0.295 720 G HA3 -0.276 3.684 3.960 0.000 0.000 0.295 720 G C 0.379 175.299 174.900 0.033 0.000 1.165 720 G CA 0.419 45.536 45.100 0.028 0.000 0.977 720 G HN 0.730 nan 8.290 nan 0.000 0.546 721 N N 1.427 120.146 118.700 0.032 0.000 2.282 721 N HA 0.281 5.021 4.740 0.000 0.000 0.240 721 N C -0.323 175.205 175.510 0.031 0.000 1.182 721 N CA 0.598 53.669 53.050 0.037 0.000 0.874 721 N CB 0.948 39.461 38.487 0.044 0.000 1.126 721 N HN 0.472 nan 8.380 nan 0.000 0.516 722 T N 2.082 116.652 114.554 0.026 0.000 2.758 722 T HA 0.460 4.810 4.350 0.000 0.000 0.285 722 T C 0.397 175.109 174.700 0.020 0.000 0.981 722 T CA -0.567 61.546 62.100 0.021 0.000 0.965 722 T CB 1.372 70.251 68.868 0.018 0.000 0.927 722 T HN 0.117 nan 8.240 nan 0.000 0.448 723 I N 1.048 121.629 120.570 0.018 0.000 2.354 723 I HA 0.630 4.800 4.170 0.000 0.000 0.292 723 I C -0.781 175.345 176.117 0.015 0.000 0.989 723 I CA -0.506 60.804 61.300 0.016 0.000 1.188 723 I CB 1.651 39.661 38.000 0.015 0.000 1.342 723 I HN 0.363 nan 8.210 nan 0.000 0.457 724 T N 6.431 120.992 114.554 0.011 0.000 2.758 724 T HA 0.496 4.846 4.350 0.000 0.000 0.285 724 T C -0.103 174.600 174.700 0.005 0.000 0.981 724 T CA -0.378 61.728 62.100 0.011 0.000 0.965 724 T CB 1.691 70.562 68.868 0.006 0.000 0.927 724 T HN 0.458 nan 8.240 nan 0.000 0.448 725 V N 3.941 123.866 119.914 0.018 0.000 2.435 725 V HA 0.633 4.753 4.120 0.000 0.000 0.290 725 V C 0.078 176.182 176.094 0.017 0.000 1.030 725 V CA -0.648 61.660 62.300 0.014 0.000 0.881 725 V CB 1.845 33.705 31.823 0.062 0.000 0.983 725 V HN 0.995 nan 8.190 nan 0.000 0.445 726 T N 3.093 117.624 114.554 -0.038 0.000 2.937 726 T HA 0.631 4.981 4.350 0.000 0.000 0.297 726 T C 0.103 174.720 174.700 -0.139 0.000 0.991 726 T CA -0.501 61.572 62.100 -0.045 0.000 0.990 726 T CB 1.655 70.487 68.868 -0.059 0.000 0.991 726 T HN 0.959 nan 8.240 nan 0.000 0.440 727 G N 1.194 109.954 108.800 -0.068 0.000 2.416 727 G HA2 0.749 4.709 3.960 0.000 0.000 0.329 727 G HA3 0.749 4.709 3.960 0.000 0.000 0.329 727 G C -1.103 173.707 174.900 -0.151 0.000 1.173 727 G CA -0.872 44.098 45.100 -0.216 0.000 0.929 727 G HN 0.995 nan 8.290 nan 0.000 0.475 728 A N 0.632 123.209 122.820 -0.404 0.000 2.455 728 A HA 1.022 5.342 4.320 0.000 0.000 0.300 728 A C 0.367 177.913 177.584 -0.064 0.000 1.040 728 A CA 0.371 52.329 52.037 -0.132 0.000 0.697 728 A CB 1.358 20.274 19.000 -0.140 0.000 1.265 728 A HN 2.624 nan 8.150 nan 0.000 0.407 729 G N 0.500 109.409 108.800 0.182 0.000 2.428 729 G HA2 0.116 4.076 3.960 0.000 0.000 0.202 729 G HA3 0.116 4.076 3.960 0.000 0.000 0.202 729 G C -0.443 174.696 174.900 0.399 0.000 1.247 729 G CA -0.032 45.235 45.100 0.278 0.000 1.020 729 G HN 1.157 nan 8.290 nan 0.000 0.529 730 E N 0.493 120.852 120.200 0.266 0.000 2.102 730 E HA 0.617 4.967 4.350 0.000 0.000 0.263 730 E C 0.032 176.596 176.600 -0.059 0.000 0.894 730 E CA -0.060 56.389 56.400 0.082 0.000 0.746 730 E CB 0.727 30.423 29.700 -0.007 0.000 1.129 730 E HN 1.307 nan 8.360 nan 0.000 0.416 731 A N 4.104 126.797 122.820 -0.212 0.000 2.527 731 A HA 0.794 5.114 4.320 0.000 0.000 0.293 731 A C -1.340 176.301 177.584 0.094 0.000 1.117 731 A CA -0.848 51.074 52.037 -0.193 0.000 0.723 731 A CB 1.733 20.125 19.000 -1.014 0.000 1.313 731 A HN 0.481 nan 8.150 nan 0.000 0.411 732 K N 0.744 121.257 120.400 0.188 0.000 2.498 732 K HA 0.493 4.813 4.320 0.000 0.000 0.254 732 K C -0.204 176.482 176.600 0.144 0.000 0.933 732 K CA -0.556 55.812 56.287 0.135 0.000 0.806 732 K CB 1.402 33.940 32.500 0.063 0.000 1.301 732 K HN 0.724 nan 8.250 nan 0.000 0.432 733 N N 2.435 121.145 118.700 0.017 0.000 2.714 733 N HA -0.167 4.574 4.740 0.000 0.000 0.252 733 N C -1.018 174.537 175.510 0.075 0.000 1.014 733 N CA 0.738 53.773 53.050 -0.024 0.000 0.735 733 N CB -0.082 38.400 38.487 -0.010 0.000 0.924 733 N HN 0.544 nan 8.380 nan 0.000 0.540 734 W N -0.638 120.686 121.300 0.041 0.000 2.485 734 W HA 0.716 5.376 4.660 0.000 0.000 0.364 734 W C -0.211 176.387 176.519 0.131 0.000 1.171 734 W CA -0.528 56.879 57.345 0.103 0.000 1.304 734 W CB 0.698 30.318 29.460 0.266 0.000 1.335 734 W HN -0.113 nan 8.180 nan 0.000 0.643 735 T N 1.717 116.632 114.554 0.602 0.000 2.864 735 T HA 0.495 4.845 4.350 0.000 0.000 0.299 735 T C -1.522 173.482 174.700 0.508 0.000 1.166 735 T CA -0.762 61.554 62.100 0.360 0.000 1.007 735 T CB 1.882 70.829 68.868 0.132 0.000 1.219 735 T HN 0.434 nan 8.240 nan 0.000 0.506 736 L N 2.305 123.711 121.223 0.306 0.000 2.376 736 L HA 0.637 4.977 4.340 0.000 0.000 0.275 736 L C -0.845 176.041 176.870 0.026 0.000 0.987 736 L CA -0.621 54.349 54.840 0.218 0.000 0.828 736 L CB 1.140 43.351 42.059 0.253 0.000 1.249 736 L HN 0.825 nan 8.230 nan 0.000 0.409 737 C N 6.428 125.659 119.300 -0.116 0.000 2.295 737 C HA 0.476 4.936 4.460 0.000 0.000 0.331 737 C C 0.253 175.182 174.990 -0.101 0.000 1.280 737 C CA -0.726 58.212 59.018 -0.134 0.000 1.746 737 C CB 0.201 27.798 27.740 -0.238 0.000 2.328 737 C HN 0.747 nan 8.230 nan 0.000 0.521 738 L N 7.998 129.182 121.223 -0.065 0.000 2.328 738 L HA 0.368 4.708 4.340 0.000 0.000 0.280 738 L C 0.520 177.342 176.870 -0.080 0.000 1.111 738 L CA -0.256 54.542 54.840 -0.070 0.000 0.909 738 L CB -0.358 41.673 42.059 -0.047 0.000 1.277 738 L HN 0.627 nan 8.230 nan 0.000 0.433 739 R N 3.181 123.591 120.500 -0.149 0.000 2.570 739 R HA -0.003 4.337 4.340 0.000 0.000 0.277 739 R C 0.702 176.974 176.300 -0.046 0.000 1.039 739 R CA -0.029 55.988 56.100 -0.138 0.000 1.065 739 R CB 0.015 30.098 30.300 -0.362 0.000 0.964 739 R HN 0.583 nan 8.270 nan 0.000 0.428 740 N N -0.378 118.323 118.700 0.003 0.000 2.681 740 N HA -0.180 4.560 4.740 0.000 0.000 0.250 740 N C -0.944 174.575 175.510 0.015 0.000 1.133 740 N CA 0.965 54.032 53.050 0.030 0.000 0.732 740 N CB -0.708 37.813 38.487 0.058 0.000 1.107 740 N HN 0.250 nan 8.380 nan 0.000 0.559 741 V N 1.486 121.393 119.914 -0.012 0.000 2.304 741 V HA 0.180 4.300 4.120 0.000 0.000 0.278 741 V C 1.567 177.630 176.094 -0.051 0.000 1.018 741 V CA -0.454 61.821 62.300 -0.041 0.000 0.814 741 V CB 1.629 33.414 31.823 -0.063 0.000 1.021 741 V HN 0.078 nan 8.190 nan 0.000 0.440 742 V N 1.935 121.822 119.914 -0.046 0.000 2.535 742 V HA 0.245 4.365 4.120 0.000 0.000 0.246 742 V C 0.781 176.834 176.094 -0.067 0.000 1.045 742 V CA 0.827 63.108 62.300 -0.031 0.000 1.058 742 V CB -0.341 31.486 31.823 0.007 0.000 0.689 742 V HN 0.654 nan 8.190 nan 0.000 0.461 743 K N -0.296 120.010 120.400 -0.156 0.000 2.427 743 K HA 0.690 5.011 4.320 0.000 0.000 0.252 743 K C -1.844 174.522 176.600 -0.390 0.000 0.931 743 K CA -0.508 55.663 56.287 -0.193 0.000 0.793 743 K CB 2.953 35.406 32.500 -0.078 0.000 1.211 743 K HN 0.054 nan 8.250 nan 0.000 0.426 744 V N 3.286 123.076 119.914 -0.207 0.000 2.914 744 V HA 0.235 4.355 4.120 0.000 0.000 0.314 744 V C 0.525 176.586 176.094 -0.055 0.000 1.084 744 V CA -0.536 61.665 62.300 -0.165 0.000 0.963 744 V CB 1.899 33.664 31.823 -0.096 0.000 1.025 744 V HN 1.004 nan 8.190 nan 0.000 0.432 745 N N 2.636 121.335 118.700 -0.001 0.000 2.106 745 N HA 0.215 4.955 4.740 0.000 0.000 0.188 745 N C 0.457 175.977 175.510 0.016 0.000 1.029 745 N CA 1.385 54.457 53.050 0.036 0.000 0.848 745 N CB 0.038 38.560 38.487 0.058 0.000 1.007 745 N HN 0.943 nan 8.380 nan 0.000 0.423 746 G N -1.106 107.698 108.800 0.007 0.000 2.559 746 G HA2 0.538 4.498 3.960 0.000 0.000 0.291 746 G HA3 0.538 4.498 3.960 0.000 0.000 0.291 746 G C -2.129 172.771 174.900 0.000 0.000 1.424 746 G CA -0.678 44.425 45.100 0.004 0.000 0.786 746 G HN 0.070 nan 8.290 nan 0.000 0.485 747 L N 0.646 121.870 121.223 0.000 0.000 2.516 747 L HA 0.433 4.774 4.340 0.000 0.000 0.267 747 L C -1.082 175.788 176.870 0.001 0.000 0.957 747 L CA -0.890 53.950 54.840 -0.001 0.000 0.860 747 L CB 2.393 44.448 42.059 -0.006 0.000 1.265 747 L HN 0.390 nan 8.230 nan 0.000 0.403 748 Q N 2.380 122.183 119.800 0.004 0.000 2.293 748 Q HA 0.319 4.659 4.340 0.000 0.000 0.261 748 Q C -0.627 175.376 176.000 0.004 0.000 0.960 748 Q CA -0.581 55.224 55.803 0.004 0.000 0.882 748 Q CB 1.873 30.615 28.738 0.007 0.000 1.275 748 Q HN 0.529 nan 8.270 nan 0.000 0.445 749 D N 0.673 121.072 120.400 -0.002 0.000 2.907 749 D HA -0.137 4.503 4.640 0.000 0.000 0.226 749 D C -0.213 176.077 176.300 -0.018 0.000 1.141 749 D CA 1.724 55.720 54.000 -0.006 0.000 0.779 749 D CB -0.828 39.975 40.800 0.005 0.000 1.095 749 D HN 0.797 nan 8.370 nan 0.000 0.430 750 G N -1.498 107.289 108.800 -0.022 0.000 2.677 750 G HA2 0.619 4.579 3.960 0.000 0.000 0.291 750 G HA3 0.619 4.579 3.960 0.000 0.000 0.291 750 G C -0.735 174.145 174.900 -0.034 0.000 1.435 750 G CA 0.021 45.099 45.100 -0.037 0.000 0.826 750 G HN 0.423 nan 8.290 nan 0.000 0.491 751 S N -0.709 114.964 115.700 -0.044 0.000 2.578 751 S HA 0.792 5.262 4.470 0.000 0.000 0.301 751 S C -0.355 174.227 174.600 -0.030 0.000 1.091 751 S CA -0.666 57.513 58.200 -0.034 0.000 1.032 751 S CB 1.925 65.102 63.200 -0.039 0.000 1.064 751 S HN 1.031 nan 8.310 nan 0.000 0.508 752 Q N 0.446 120.233 119.800 -0.022 0.000 2.399 752 Q HA 0.853 5.193 4.340 0.000 0.000 0.276 752 Q C -1.285 174.707 176.000 -0.014 0.000 1.098 752 Q CA -1.547 54.245 55.803 -0.018 0.000 0.827 752 Q CB 2.104 30.831 28.738 -0.018 0.000 1.386 752 Q HN 1.041 nan 8.270 nan 0.000 0.443 753 A N 1.288 124.102 122.820 -0.011 0.000 2.566 753 A HA 0.407 4.727 4.320 0.000 0.000 0.297 753 A C -1.098 176.485 177.584 -0.001 0.000 1.059 753 A CA -0.801 51.232 52.037 -0.005 0.000 0.691 753 A CB 1.555 20.552 19.000 -0.005 0.000 1.282 753 A HN 0.799 nan 8.150 nan 0.000 0.401 754 E N 0.631 120.833 120.200 0.003 0.000 2.436 754 E HA 0.391 4.741 4.350 0.000 0.000 0.262 754 E C 0.323 176.933 176.600 0.017 0.000 1.063 754 E CA 0.902 57.307 56.400 0.008 0.000 0.944 754 E CB 0.616 30.322 29.700 0.011 0.000 0.950 754 E HN 0.863 nan 8.360 nan 0.000 0.444 755 S N 0.671 116.385 115.700 0.024 0.000 2.552 755 S HA 0.146 4.616 4.470 0.000 0.000 0.272 755 S C 0.148 174.775 174.600 0.044 0.000 1.150 755 S CA -0.807 57.415 58.200 0.038 0.000 0.849 755 S CB 1.488 64.715 63.200 0.046 0.000 1.113 755 S HN 0.521 nan 8.310 nan 0.000 0.458 756 E N 0.999 121.232 120.200 0.056 0.000 2.153 756 E HA -0.127 4.223 4.350 0.000 0.000 0.194 756 E C 1.563 178.204 176.600 0.068 0.000 0.988 756 E CA 1.491 57.927 56.400 0.060 0.000 0.811 756 E CB -0.108 29.632 29.700 0.068 0.000 0.746 756 E HN 0.712 nan 8.360 nan 0.000 0.466 757 Q N -0.522 119.325 119.800 0.080 0.000 2.432 757 Q HA 0.162 4.502 4.340 0.000 0.000 0.205 757 Q C 0.521 176.553 176.000 0.054 0.000 0.945 757 Q CA 0.413 56.266 55.803 0.084 0.000 0.924 757 Q CB 0.962 29.769 28.738 0.115 0.000 1.016 757 Q HN 0.192 nan 8.270 nan 0.000 0.503 758 G N 0.363 109.186 108.800 0.039 0.000 2.351 758 G HA2 0.002 3.962 3.960 0.000 0.000 0.353 758 G HA3 0.002 3.962 3.960 0.000 0.000 0.353 758 G C -1.882 173.021 174.900 0.004 0.000 1.358 758 G CA -1.213 43.894 45.100 0.012 0.000 0.995 758 G HN 0.005 nan 8.290 nan 0.000 0.611 759 L N 0.367 121.581 121.223 -0.015 0.000 2.513 759 L HA 0.455 4.795 4.340 0.000 0.000 0.272 759 L C 0.651 177.512 176.870 -0.016 0.000 1.187 759 L CA 0.213 55.042 54.840 -0.018 0.000 0.895 759 L CB 0.915 42.954 42.059 -0.033 0.000 1.147 759 L HN 0.495 nan 8.230 nan 0.000 0.483 760 V N 6.218 126.127 119.914 -0.008 0.000 2.394 760 V HA 0.413 4.533 4.120 0.000 0.000 0.282 760 V C -0.103 175.989 176.094 -0.004 0.000 1.031 760 V CA -0.635 61.661 62.300 -0.007 0.000 0.881 760 V CB 1.591 33.414 31.823 0.000 0.000 0.982 760 V HN 0.458 nan 8.190 nan 0.000 0.451 761 V N 4.856 124.775 119.914 0.008 0.000 2.495 761 V HA 0.525 4.645 4.120 0.000 0.000 0.298 761 V C -0.173 175.913 176.094 -0.012 0.000 1.031 761 V CA -0.908 61.393 62.300 0.002 0.000 0.871 761 V CB 1.972 33.805 31.823 0.018 0.000 0.988 761 V HN 0.864 nan 8.190 nan 0.000 0.432 762 K N 7.478 127.840 120.400 -0.063 0.000 2.244 762 K HA 0.614 4.934 4.320 0.000 0.000 0.260 762 K C -2.671 173.816 176.600 -0.188 0.000 0.951 762 K CA -1.999 54.199 56.287 -0.148 0.000 0.826 762 K CB 2.051 34.475 32.500 -0.128 0.000 1.108 762 K HN 0.373 nan 8.250 nan 0.000 0.433 763 P HA 0.119 nan 4.420 nan 0.000 0.276 763 P C -1.503 175.676 177.300 -0.202 0.000 1.244 763 P CA -0.241 62.697 63.100 -0.270 0.000 0.801 763 P CB 0.891 32.313 31.700 -0.462 0.000 1.006 764 Q N 0.656 120.390 119.800 -0.110 0.000 2.406 764 Q HA 0.477 4.817 4.340 0.000 0.000 0.244 764 Q C 0.174 176.154 176.000 -0.032 0.000 0.884 764 Q CA -0.492 55.265 55.803 -0.077 0.000 0.813 764 Q CB 1.027 29.726 28.738 -0.065 0.000 1.368 764 Q HN 0.805 nan 8.270 nan 0.000 0.439 765 G N 3.136 111.928 108.800 -0.013 0.000 2.313 765 G HA2 -0.310 3.650 3.960 0.000 0.000 0.215 765 G HA3 -0.310 3.650 3.960 0.000 0.000 0.215 765 G C 0.454 175.378 174.900 0.040 0.000 1.023 765 G CA -0.089 45.019 45.100 0.013 0.000 0.626 765 G HN 0.763 nan 8.290 nan 0.000 0.503 766 N N -0.431 118.300 118.700 0.051 0.000 2.714 766 N HA -0.020 4.720 4.740 0.000 0.000 0.253 766 N C 0.453 176.000 175.510 0.061 0.000 1.024 766 N CA 1.993 55.097 53.050 0.089 0.000 0.726 766 N CB -1.199 37.379 38.487 0.152 0.000 0.908 766 N HN 1.817 nan 8.380 nan 0.000 0.542 767 A N 0.611 123.456 122.820 0.042 0.000 3.106 767 A HA 0.318 4.638 4.320 0.000 0.000 0.306 767 A C 0.407 178.011 177.584 0.032 0.000 1.192 767 A CA -0.526 51.531 52.037 0.033 0.000 0.994 767 A CB 0.203 19.216 19.000 0.022 0.000 1.107 767 A HN 0.423 nan 8.150 nan 0.000 0.585 768 L N 1.253 122.505 121.223 0.048 0.000 2.462 768 L HA 0.319 4.659 4.340 0.000 0.000 0.272 768 L C -0.796 176.097 176.870 0.038 0.000 1.166 768 L CA 1.263 56.131 54.840 0.047 0.000 0.880 768 L CB 0.707 42.816 42.059 0.083 0.000 1.142 768 L HN 0.367 nan 8.230 nan 0.000 0.473 769 T N 5.882 120.452 114.554 0.026 0.000 2.952 769 T HA 0.549 4.899 4.350 0.000 0.000 0.305 769 T C -0.614 174.095 174.700 0.016 0.000 1.064 769 T CA -0.364 61.748 62.100 0.021 0.000 1.008 769 T CB 1.881 70.759 68.868 0.016 0.000 1.078 769 T HN 0.404 nan 8.240 nan 0.000 0.459 770 I N 2.464 123.043 120.570 0.015 0.000 2.433 770 I HA 0.505 4.675 4.170 0.000 0.000 0.292 770 I C 0.365 176.488 176.117 0.009 0.000 1.001 770 I CA -0.546 60.759 61.300 0.008 0.000 1.119 770 I CB 2.187 40.190 38.000 0.005 0.000 1.289 770 I HN 0.624 nan 8.210 nan 0.000 0.438 771 T N 6.206 120.765 114.554 0.008 0.000 2.770 771 T HA 0.566 4.916 4.350 0.000 0.000 0.283 771 T C -0.283 174.428 174.700 0.019 0.000 0.988 771 T CA -0.736 61.374 62.100 0.017 0.000 0.957 771 T CB 0.492 69.372 68.868 0.021 0.000 0.930 771 T HN 0.176 nan 8.240 nan 0.000 0.443 772 L N 5.209 126.451 121.223 0.031 0.000 2.464 772 L HA 0.347 4.687 4.340 0.000 0.000 0.264 772 L C 1.348 178.293 176.870 0.125 0.000 1.199 772 L CA -0.177 54.691 54.840 0.047 0.000 0.818 772 L CB 0.136 42.234 42.059 0.066 0.000 1.102 772 L HN 0.931 nan 8.230 nan 0.000 0.473 773 H N 0.000 119.077 119.070 0.011 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.054 56.048 0.011 0.000 1.023 773 H CB 0.000 29.768 29.762 0.010 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496