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 1xsk_1_A 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 0.000 176.162 176.300 -0.229 0.000 1.140 1 M CA 0.000 55.159 55.300 -0.234 0.000 0.988 1 M CB 0.000 32.371 32.600 -0.381 0.000 1.302 2 K N 4.597 124.880 120.400 -0.195 0.000 2.379 2 K HA 0.359 4.679 4.320 0.000 0.000 0.284 2 K C 0.087 176.552 176.600 -0.227 0.000 1.044 2 K CA 0.183 56.362 56.287 -0.181 0.000 0.974 2 K CB 0.955 33.376 32.500 -0.132 0.000 0.962 2 K HN 0.699 nan 8.250 nan 0.000 0.474 3 I N 0.350 120.766 120.570 -0.257 0.000 3.518 3 I HA -0.108 4.062 4.170 0.000 0.000 0.260 3 I C 0.953 176.944 176.117 -0.210 0.000 1.148 3 I CA 0.193 61.309 61.300 -0.306 0.000 1.440 3 I CB 0.172 37.852 38.000 -0.533 0.000 1.485 3 I HN 0.517 nan 8.210 nan 0.000 0.456 4 S N 0.297 115.884 115.700 -0.188 0.000 2.632 4 S HA 0.179 4.649 4.470 0.000 0.000 0.267 4 S C -0.252 174.288 174.600 -0.100 0.000 1.276 4 S CA -0.407 57.718 58.200 -0.125 0.000 0.998 4 S CB 1.539 64.665 63.200 -0.123 0.000 0.953 4 S HN 0.252 nan 8.310 nan 0.000 0.547 5 D N -0.034 120.325 120.400 -0.069 0.000 2.513 5 D HA 0.475 5.115 4.640 0.000 0.000 0.295 5 D C 0.500 176.775 176.300 -0.043 0.000 1.202 5 D CA 0.682 54.653 54.000 -0.049 0.000 0.849 5 D CB -0.064 40.721 40.800 -0.025 0.000 1.116 5 D HN 1.159 nan 8.370 nan 0.000 0.502 6 G N 2.414 111.166 108.800 -0.079 0.000 2.728 6 G HA2 -0.303 3.657 3.960 0.000 0.000 0.294 6 G HA3 -0.303 3.657 3.960 0.000 0.000 0.294 6 G C 0.677 175.455 174.900 -0.202 0.000 1.342 6 G CA -0.099 44.932 45.100 -0.115 0.000 0.866 6 G HN 0.426 nan 8.290 nan 0.000 0.534 7 N N -0.734 117.725 118.700 -0.402 0.000 2.188 7 N HA -0.000 4.740 4.740 0.000 0.000 0.184 7 N C 1.988 177.180 175.510 -0.530 0.000 1.018 7 N CA 2.638 55.306 53.050 -0.637 0.000 0.858 7 N CB -0.150 37.663 38.487 -1.122 0.000 0.989 7 N HN 0.643 nan 8.380 nan 0.000 0.426 8 W N -0.122 121.173 121.300 -0.008 0.000 2.737 8 W HA 0.344 5.004 4.660 0.000 0.000 0.262 8 W C 0.329 176.845 176.519 -0.004 0.000 1.282 8 W CA -0.658 56.685 57.345 -0.004 0.000 1.386 8 W CB 0.195 29.652 29.460 -0.003 0.000 1.099 8 W HN -0.096 nan 8.180 nan 0.000 0.621 9 L N -0.117 121.205 121.223 0.165 0.000 2.260 9 L HA 0.645 4.985 4.340 0.000 0.000 0.265 9 L C -0.159 176.731 176.870 0.033 0.000 1.015 9 L CA -1.333 53.565 54.840 0.096 0.000 0.826 9 L CB 1.395 43.502 42.059 0.079 0.000 1.373 9 L HN -0.298 nan 8.230 nan 0.000 0.450 10 I N -0.441 120.139 120.570 0.017 0.000 2.785 10 I HA 0.244 4.414 4.170 0.000 0.000 0.302 10 I C -0.597 175.503 176.117 -0.028 0.000 1.069 10 I CA -0.968 60.322 61.300 -0.016 0.000 1.045 10 I CB 2.104 40.101 38.000 -0.006 0.000 1.236 10 I HN 0.478 nan 8.210 nan 0.000 0.429 11 Q N 3.735 123.500 119.800 -0.057 0.000 2.330 11 Q HA 0.170 4.510 4.340 0.000 0.000 0.279 11 Q C -2.277 173.699 176.000 -0.040 0.000 1.024 11 Q CA -1.424 54.346 55.803 -0.056 0.000 0.900 11 Q CB 0.037 28.724 28.738 -0.085 0.000 1.221 11 Q HN 0.199 nan 8.270 nan 0.000 0.396 12 P HA -0.029 nan 4.420 nan 0.000 0.261 12 P C 0.472 177.759 177.300 -0.022 0.000 1.183 12 P CA 1.118 64.207 63.100 -0.020 0.000 0.761 12 P CB 0.306 31.996 31.700 -0.016 0.000 0.785 13 G N 2.130 110.920 108.800 -0.016 0.000 2.157 13 G HA2 -0.216 3.744 3.960 0.000 0.000 0.248 13 G HA3 -0.216 3.744 3.960 0.000 0.000 0.248 13 G C -0.198 174.690 174.900 -0.021 0.000 0.979 13 G CA -0.434 44.657 45.100 -0.015 0.000 0.650 13 G HN 0.453 nan 8.290 nan 0.000 0.529 14 L N 0.636 121.842 121.223 -0.029 0.000 2.317 14 L HA 0.542 4.882 4.340 0.000 0.000 0.281 14 L C -0.613 176.238 176.870 -0.033 0.000 1.024 14 L CA -1.078 53.738 54.840 -0.040 0.000 0.810 14 L CB 1.549 43.568 42.059 -0.068 0.000 1.240 14 L HN -0.004 nan 8.230 nan 0.000 0.427 15 N N 4.814 123.494 118.700 -0.034 0.000 2.443 15 N HA 0.550 5.290 4.740 0.000 0.000 0.269 15 N C -1.016 174.476 175.510 -0.029 0.000 0.985 15 N CA -0.390 52.647 53.050 -0.021 0.000 0.921 15 N CB 2.394 40.878 38.487 -0.005 0.000 1.195 15 N HN 0.412 nan 8.380 nan 0.000 0.492 16 L N 2.515 123.712 121.223 -0.042 0.000 2.325 16 L HA 0.684 5.024 4.340 0.000 0.000 0.278 16 L C 0.216 176.938 176.870 -0.246 0.000 1.023 16 L CA -1.130 53.660 54.840 -0.084 0.000 0.811 16 L CB 1.390 43.441 42.059 -0.013 0.000 1.249 16 L HN 0.449 nan 8.230 nan 0.000 0.431 17 I N -1.356 119.068 120.570 -0.243 0.000 2.569 17 I HA 0.547 4.717 4.170 0.000 0.000 0.290 17 I C -1.089 174.940 176.117 -0.147 0.000 1.088 17 I CA -0.555 60.618 61.300 -0.211 0.000 1.047 17 I CB 2.032 40.053 38.000 0.035 0.000 1.237 17 I HN 0.500 nan 8.210 nan 0.000 0.421 18 H N 4.443 123.594 119.070 0.135 0.000 2.679 18 H HA 0.535 5.091 4.556 0.000 0.000 0.367 18 H C -2.749 172.470 175.328 -0.183 0.000 1.162 18 H CA -2.434 53.543 56.048 -0.119 0.000 1.181 18 H CB 2.123 31.793 29.762 -0.155 0.000 1.693 18 H HN 0.443 nan 8.280 nan 0.000 0.538 19 P HA 0.162 nan 4.420 nan 0.000 0.284 19 P C 0.378 177.118 177.300 -0.934 0.000 1.343 19 P CA -0.145 62.618 63.100 -0.562 0.000 0.826 19 P CB 0.689 31.882 31.700 -0.845 0.000 0.956 20 L N 1.841 122.782 121.223 -0.469 0.000 2.616 20 L HA 0.288 4.628 4.340 0.000 0.000 0.229 20 L C 1.136 177.966 176.870 -0.066 0.000 1.110 20 L CA 0.413 55.073 54.840 -0.300 0.000 0.884 20 L CB 0.137 42.141 42.059 -0.093 0.000 1.115 20 L HN 0.405 nan 8.230 nan 0.000 0.481 21 Q N 0.409 120.188 119.800 -0.033 0.000 2.352 21 Q HA 0.329 4.669 4.340 0.000 0.000 0.270 21 Q C -1.539 174.650 176.000 0.314 0.000 1.006 21 Q CA -0.409 55.520 55.803 0.210 0.000 0.880 21 Q CB 3.136 31.939 28.738 0.110 0.000 1.392 21 Q HN -0.144 nan 8.270 nan 0.000 0.401 22 V N 5.066 125.242 119.914 0.438 0.000 2.508 22 V HA 0.101 4.221 4.120 0.000 0.000 0.281 22 V C 0.414 176.693 176.094 0.309 0.000 1.041 22 V CA 0.427 62.973 62.300 0.411 0.000 1.016 22 V CB 0.612 32.624 31.823 0.315 0.000 0.984 22 V HN 0.833 nan 8.190 nan 0.000 0.478 23 F N 3.380 123.456 119.950 0.209 0.000 2.383 23 F HA 0.355 4.882 4.527 0.000 0.000 0.287 23 F C 0.907 176.802 175.800 0.159 0.000 1.069 23 F CA 0.658 58.752 58.000 0.157 0.000 1.402 23 F CB 0.524 39.612 39.000 0.146 0.000 1.116 23 F HN 0.554 nan 8.300 nan 0.000 0.549 24 E N 0.324 120.572 120.200 0.080 0.000 2.363 24 E HA 0.459 4.809 4.350 0.000 0.000 0.281 24 E C -2.045 174.694 176.600 0.232 0.000 0.953 24 E CA -0.700 55.700 56.400 -0.001 0.000 0.778 24 E CB 2.310 31.965 29.700 -0.075 0.000 1.220 24 E HN -0.134 nan 8.360 nan 0.000 0.431 25 V N 3.282 123.274 119.914 0.130 0.000 2.448 25 V HA 0.442 4.562 4.120 0.000 0.000 0.295 25 V C -0.443 175.729 176.094 0.130 0.000 1.025 25 V CA -0.533 61.844 62.300 0.130 0.000 0.859 25 V CB 1.561 33.429 31.823 0.075 0.000 0.988 25 V HN 0.669 nan 8.190 nan 0.000 0.431 26 E N 3.453 123.741 120.200 0.147 0.000 2.266 26 E HA 0.467 4.817 4.350 0.000 0.000 0.268 26 E C -1.123 175.540 176.600 0.105 0.000 0.879 26 E CA -0.685 55.800 56.400 0.141 0.000 0.762 26 E CB 2.140 31.976 29.700 0.228 0.000 1.199 26 E HN 0.728 nan 8.360 nan 0.000 0.422 27 Q N 3.530 123.386 119.800 0.092 0.000 2.325 27 Q HA 0.232 4.572 4.340 0.000 0.000 0.262 27 Q C -1.310 174.739 176.000 0.081 0.000 0.968 27 Q CA -0.498 55.360 55.803 0.091 0.000 0.877 27 Q CB 1.197 29.985 28.738 0.083 0.000 1.253 27 Q HN 0.479 nan 8.270 nan 0.000 0.448 28 Q N 4.692 124.539 119.800 0.079 0.000 2.413 28 Q HA 0.238 4.578 4.340 0.000 0.000 0.258 28 Q C -0.733 175.307 176.000 0.067 0.000 1.037 28 Q CA -0.680 55.161 55.803 0.062 0.000 0.764 28 Q CB 1.270 30.036 28.738 0.047 0.000 1.217 28 Q HN 0.801 nan 8.270 nan 0.000 0.490 29 D N 1.972 122.410 120.400 0.064 0.000 3.798 29 D HA -0.233 4.407 4.640 0.000 0.000 0.150 29 D C 0.441 176.800 176.300 0.098 0.000 0.953 29 D CA 1.810 55.851 54.000 0.068 0.000 1.089 29 D CB -0.687 40.149 40.800 0.059 0.000 0.535 29 D HN 0.797 nan 8.370 nan 0.000 0.563 30 N N 2.218 120.991 118.700 0.122 0.000 2.295 30 N HA 0.046 4.786 4.740 0.000 0.000 0.221 30 N C -0.429 175.267 175.510 0.310 0.000 1.129 30 N CA 0.412 53.574 53.050 0.186 0.000 0.836 30 N CB 0.365 38.949 38.487 0.163 0.000 1.040 30 N HN 0.419 nan 8.380 nan 0.000 0.494 31 E N 0.457 120.789 120.200 0.220 0.000 2.256 31 E HA 0.338 4.688 4.350 0.000 0.000 0.267 31 E C -1.115 175.572 176.600 0.145 0.000 0.892 31 E CA -0.685 55.816 56.400 0.168 0.000 0.775 31 E CB 2.604 32.340 29.700 0.059 0.000 1.207 31 E HN 0.109 nan 8.360 nan 0.000 0.420 32 M N 3.292 122.956 119.600 0.107 0.000 2.167 32 M HA 0.359 4.839 4.480 0.000 0.000 0.333 32 M C -1.664 174.715 176.300 0.133 0.000 1.030 32 M CA -0.765 54.626 55.300 0.151 0.000 0.963 32 M CB 1.071 33.805 32.600 0.223 0.000 1.589 32 M HN 0.249 nan 8.290 nan 0.000 0.431 33 V N 5.691 125.643 119.914 0.064 0.000 2.435 33 V HA 0.570 4.690 4.120 0.000 0.000 0.290 33 V C -0.553 175.493 176.094 -0.079 0.000 1.030 33 V CA -0.722 61.544 62.300 -0.057 0.000 0.881 33 V CB 1.654 33.384 31.823 -0.155 0.000 0.983 33 V HN 0.666 nan 8.190 nan 0.000 0.445 34 V N 4.926 124.780 119.914 -0.100 0.000 2.483 34 V HA 0.459 4.579 4.120 0.000 0.000 0.297 34 V C -1.197 174.844 176.094 -0.088 0.000 1.027 34 V CA -0.781 61.534 62.300 0.025 0.000 0.855 34 V CB 1.596 33.589 31.823 0.284 0.000 0.995 34 V HN 0.737 nan 8.190 nan 0.000 0.424 35 Y N 2.828 123.287 120.300 0.265 0.000 2.328 35 Y HA 0.745 5.295 4.550 0.000 0.000 0.337 35 Y C 0.480 176.569 175.900 0.314 0.000 1.008 35 Y CA -0.446 57.818 58.100 0.272 0.000 1.129 35 Y CB 1.792 40.438 38.460 0.310 0.000 1.185 35 Y HN 0.734 nan 8.280 nan 0.000 0.476 36 A N 2.201 125.245 122.820 0.373 0.000 2.393 36 A HA 0.887 5.207 4.320 0.000 0.000 0.306 36 A C -0.902 176.792 177.584 0.183 0.000 1.050 36 A CA -0.676 51.515 52.037 0.257 0.000 0.724 36 A CB 0.756 19.782 19.000 0.043 0.000 1.248 36 A HN 0.804 nan 8.150 nan 0.000 0.424 37 A N 2.780 125.677 122.820 0.128 0.000 2.304 37 A HA 0.749 5.069 4.320 0.000 0.000 0.301 37 A C -2.149 175.452 177.584 0.029 0.000 1.132 37 A CA -1.711 50.361 52.037 0.058 0.000 0.819 37 A CB 0.427 19.451 19.000 0.040 0.000 1.094 37 A HN 0.478 nan 8.150 nan 0.000 0.492 38 P HA 0.037 nan 4.420 nan 0.000 0.242 38 P C 0.013 177.299 177.300 -0.024 0.000 1.197 38 P CA 0.728 63.846 63.100 0.030 0.000 0.765 38 P CB 0.026 31.738 31.700 0.021 0.000 0.936 39 R N -2.706 117.766 120.500 -0.046 0.000 2.762 39 R HA 0.408 4.748 4.340 0.000 0.000 0.271 39 R C -1.462 174.776 176.300 -0.103 0.000 1.038 39 R CA -0.889 55.151 56.100 -0.100 0.000 0.906 39 R CB -0.082 30.124 30.300 -0.157 0.000 1.259 39 R HN -0.354 nan 8.270 nan 0.000 0.457 40 D N 1.268 121.560 120.400 -0.179 0.000 2.401 40 D HA 0.128 4.768 4.640 0.000 0.000 0.254 40 D C 0.413 176.644 176.300 -0.115 0.000 1.192 40 D CA 0.004 53.914 54.000 -0.150 0.000 0.885 40 D CB 1.439 42.108 40.800 -0.219 0.000 1.147 40 D HN 0.471 nan 8.370 nan 0.000 0.478 41 V N 1.773 121.709 119.914 0.037 0.000 2.909 41 V HA 0.342 4.462 4.120 0.000 0.000 0.362 41 V C 1.508 177.727 176.094 0.209 0.000 1.356 41 V CA -0.506 61.883 62.300 0.147 0.000 1.195 41 V CB -0.072 31.827 31.823 0.127 0.000 1.256 41 V HN 0.360 nan 8.190 nan 0.000 0.567 42 R N 0.776 121.367 120.500 0.151 0.000 2.189 42 R HA 0.148 4.488 4.340 0.000 0.000 0.218 42 R C 0.514 176.914 176.300 0.167 0.000 1.074 42 R CA 0.807 56.992 56.100 0.142 0.000 0.991 42 R CB 0.245 30.592 30.300 0.078 0.000 0.883 42 R HN 0.652 nan 8.270 nan 0.000 0.457 43 E N 0.437 120.777 120.200 0.234 0.000 2.227 43 E HA 0.133 4.483 4.350 0.000 0.000 0.282 43 E C 0.392 177.118 176.600 0.210 0.000 1.015 43 E CA -0.353 56.192 56.400 0.242 0.000 0.823 43 E CB 1.248 31.180 29.700 0.385 0.000 1.081 43 E HN 0.088 nan 8.360 nan 0.000 0.396 44 R N 1.046 121.612 120.500 0.112 0.000 2.237 44 R HA -0.104 4.236 4.340 0.000 0.000 0.219 44 R C 1.980 178.272 176.300 -0.012 0.000 1.080 44 R CA 0.967 57.106 56.100 0.065 0.000 0.995 44 R CB -0.183 30.141 30.300 0.040 0.000 0.875 44 R HN 0.446 nan 8.270 nan 0.000 0.462 45 T N -1.059 113.438 114.554 -0.095 0.000 3.035 45 T HA -0.104 4.246 4.350 0.000 0.000 0.268 45 T C 0.830 175.267 174.700 -0.437 0.000 1.109 45 T CA 0.812 62.727 62.100 -0.308 0.000 1.119 45 T CB -0.063 68.526 68.868 -0.466 0.000 0.900 45 T HN 0.449 nan 8.240 nan 0.000 0.503 46 W N 0.718 122.010 121.300 -0.014 0.000 3.127 46 W HA 0.391 5.051 4.660 0.000 0.000 0.344 46 W C 1.463 177.950 176.519 -0.053 0.000 1.151 46 W CA -0.680 56.650 57.345 -0.026 0.000 1.765 46 W CB 0.412 29.864 29.460 -0.013 0.000 1.085 46 W HN 0.143 nan 8.180 nan 0.000 0.596 47 Q N 1.652 121.514 119.800 0.103 0.000 2.380 47 Q HA 0.181 4.521 4.340 0.000 0.000 0.254 47 Q C -0.561 175.399 176.000 -0.067 0.000 0.927 47 Q CA 0.271 56.063 55.803 -0.018 0.000 0.950 47 Q CB -0.670 28.056 28.738 -0.021 0.000 1.206 47 Q HN 0.250 nan 8.270 nan 0.000 0.414 48 L N -5.985 115.220 121.223 -0.029 0.000 2.940 48 L HA 0.495 4.835 4.340 0.000 0.000 0.270 48 L C -0.710 176.153 176.870 -0.012 0.000 1.030 48 L CA -1.081 53.730 54.840 -0.048 0.000 0.928 48 L CB 1.052 43.076 42.059 -0.059 0.000 1.506 48 L HN -0.186 nan 8.230 nan 0.000 0.405 49 D N 0.095 120.481 120.400 -0.023 0.000 2.689 49 D HA -0.168 4.472 4.640 0.000 0.000 0.237 49 D C -0.358 175.953 176.300 0.018 0.000 1.148 49 D CA 1.770 55.769 54.000 -0.001 0.000 0.656 49 D CB -0.357 40.450 40.800 0.011 0.000 1.050 49 D HN 1.023 nan 8.370 nan 0.000 0.426 50 T N -0.930 113.616 114.554 -0.014 0.000 2.942 50 T HA 0.501 4.851 4.350 0.000 0.000 0.327 50 T C -2.624 172.032 174.700 -0.074 0.000 1.360 50 T CA -1.086 61.000 62.100 -0.024 0.000 1.055 50 T CB 1.792 70.657 68.868 -0.006 0.000 1.261 50 T HN -0.214 nan 8.240 nan 0.000 0.485 51 P HA 0.502 nan 4.420 nan 0.000 0.273 51 P C -1.352 175.811 177.300 -0.229 0.000 1.250 51 P CA -0.824 62.159 63.100 -0.195 0.000 0.793 51 P CB 0.436 31.985 31.700 -0.252 0.000 1.011 52 L N 1.705 122.743 121.223 -0.308 0.000 2.580 52 L HA 0.397 4.737 4.340 0.000 0.000 0.266 52 L C -1.481 175.272 176.870 -0.196 0.000 0.955 52 L CA -0.449 54.283 54.840 -0.179 0.000 0.886 52 L CB 0.732 42.737 42.059 -0.091 0.000 1.263 52 L HN 0.332 nan 8.230 nan 0.000 0.406 53 F N 2.465 122.433 119.950 0.029 0.000 2.427 53 F HA 0.306 4.833 4.527 0.000 0.000 0.352 53 F C 0.991 176.829 175.800 0.062 0.000 1.100 53 F CA 0.052 58.069 58.000 0.027 0.000 1.191 53 F CB 1.608 40.594 39.000 -0.023 0.000 1.128 53 F HN 0.344 nan 8.300 nan 0.000 0.533 54 T N 5.714 120.401 114.554 0.222 0.000 2.801 54 T HA 0.447 4.797 4.350 0.000 0.000 0.306 54 T C -0.469 174.226 174.700 -0.009 0.000 1.020 54 T CA -0.507 61.626 62.100 0.055 0.000 0.948 54 T CB 0.163 69.055 68.868 0.039 0.000 0.962 54 T HN 0.147 nan 8.240 nan 0.000 0.465 55 L N 3.883 125.072 121.223 -0.057 0.000 2.262 55 L HA 0.500 4.840 4.340 0.000 0.000 0.288 55 L C 0.511 177.200 176.870 -0.302 0.000 1.035 55 L CA -0.229 54.516 54.840 -0.159 0.000 0.820 55 L CB 0.805 42.852 42.059 -0.019 0.000 1.204 55 L HN 0.398 nan 8.230 nan 0.000 0.424 56 R N 3.095 123.354 120.500 -0.401 0.000 2.393 56 R HA 0.585 4.925 4.340 0.000 0.000 0.310 56 R C -1.459 174.556 176.300 -0.475 0.000 0.968 56 R CA -0.493 55.405 56.100 -0.337 0.000 0.867 56 R CB 0.776 30.908 30.300 -0.280 0.000 1.124 56 R HN 0.330 nan 8.270 nan 0.000 0.450 57 F N 6.042 125.891 119.950 -0.169 0.000 2.444 57 F HA 0.471 4.998 4.527 0.000 0.000 0.342 57 F C -0.352 175.051 175.800 -0.661 0.000 1.121 57 F CA -0.585 57.181 58.000 -0.390 0.000 0.997 57 F CB 1.250 39.918 39.000 -0.554 0.000 1.130 57 F HN 0.418 nan 8.300 nan 0.000 0.454 58 F N -0.193 119.328 119.950 -0.714 0.000 2.715 58 F HA 0.770 5.297 4.527 0.000 0.000 0.318 58 F C -0.997 174.789 175.800 -0.024 0.000 1.141 58 F CA -2.023 55.709 58.000 -0.447 0.000 0.950 58 F CB 1.478 40.386 39.000 -0.153 0.000 1.374 58 F HN 0.207 nan 8.300 nan 0.000 0.477 59 S N 1.682 117.525 115.700 0.238 0.000 2.756 59 S HA 0.515 4.985 4.470 0.000 0.000 0.303 59 S C -2.169 172.488 174.600 0.095 0.000 1.135 59 S CA -1.360 56.923 58.200 0.138 0.000 1.066 59 S CB 1.403 64.774 63.200 0.285 0.000 1.008 59 S HN 0.599 nan 8.310 nan 0.000 0.482 60 P HA 0.122 nan 4.420 nan 0.000 0.230 60 P C -0.498 176.747 177.300 -0.091 0.000 1.168 60 P CA 0.568 63.673 63.100 0.009 0.000 0.793 60 P CB 0.321 32.014 31.700 -0.011 0.000 0.851 61 Q N -0.494 119.186 119.800 -0.200 0.000 2.426 61 Q HA 0.168 4.508 4.340 0.000 0.000 0.278 61 Q C -0.462 175.455 176.000 -0.137 0.000 1.007 61 Q CA -0.639 55.062 55.803 -0.169 0.000 0.850 61 Q CB 1.834 30.419 28.738 -0.256 0.000 1.427 61 Q HN 0.028 nan 8.270 nan 0.000 0.391 62 E N 0.263 120.410 120.200 -0.090 0.000 2.568 62 E HA 0.029 4.379 4.350 0.000 0.000 0.262 62 E C 0.719 177.267 176.600 -0.086 0.000 0.961 62 E CA 1.897 58.253 56.400 -0.074 0.000 0.945 62 E CB 0.311 29.974 29.700 -0.062 0.000 0.924 62 E HN 0.822 nan 8.360 nan 0.000 0.467 63 G N 3.975 112.734 108.800 -0.068 0.000 2.212 63 G HA2 -0.271 3.689 3.960 0.000 0.000 0.266 63 G HA3 -0.271 3.689 3.960 0.000 0.000 0.266 63 G C 0.412 175.278 174.900 -0.057 0.000 0.978 63 G CA 0.439 45.506 45.100 -0.055 0.000 0.632 63 G HN 0.521 nan 8.290 nan 0.000 0.537 64 I N 1.001 121.512 120.570 -0.098 0.000 2.362 64 I HA 0.494 4.664 4.170 0.000 0.000 0.289 64 I C -0.125 175.974 176.117 -0.031 0.000 0.994 64 I CA -1.044 60.180 61.300 -0.126 0.000 1.158 64 I CB 2.092 39.857 38.000 -0.392 0.000 1.315 64 I HN -0.134 nan 8.210 nan 0.000 0.451 65 V N 5.623 125.564 119.914 0.044 0.000 2.334 65 V HA 0.443 4.564 4.120 0.000 0.000 0.281 65 V C 0.641 176.671 176.094 -0.106 0.000 1.016 65 V CA -0.488 61.871 62.300 0.097 0.000 0.832 65 V CB 1.432 33.422 31.823 0.278 0.000 0.999 65 V HN 0.888 nan 8.190 nan 0.000 0.439 66 G N 3.974 112.463 108.800 -0.519 0.000 2.353 66 G HA2 0.522 4.482 3.960 0.000 0.000 0.284 66 G HA3 0.522 4.482 3.960 0.000 0.000 0.284 66 G C -0.763 173.697 174.900 -0.733 0.000 1.172 66 G CA -0.241 44.169 45.100 -1.151 0.000 0.854 66 G HN 0.543 nan 8.290 nan 0.000 0.485 67 V N 3.169 122.659 119.914 -0.707 0.000 2.407 67 V HA 0.464 4.584 4.120 0.000 0.000 0.291 67 V C 0.186 175.990 176.094 -0.484 0.000 1.018 67 V CA -0.840 61.054 62.300 -0.676 0.000 0.842 67 V CB 1.337 32.646 31.823 -0.858 0.000 0.996 67 V HN 0.813 nan 8.190 nan 0.000 0.426 68 R N 5.515 125.827 120.500 -0.313 0.000 2.360 68 R HA 0.662 5.002 4.340 0.000 0.000 0.318 68 R C -1.238 174.989 176.300 -0.122 0.000 0.950 68 R CA -0.499 55.524 56.100 -0.127 0.000 0.837 68 R CB 0.990 31.210 30.300 -0.133 0.000 1.165 68 R HN 0.718 nan 8.270 nan 0.000 0.458 69 I N 4.354 124.944 120.570 0.032 0.000 2.330 69 I HA 0.298 4.468 4.170 0.000 0.000 0.289 69 I C -0.202 176.048 176.117 0.222 0.000 1.001 69 I CA -0.582 60.766 61.300 0.079 0.000 1.193 69 I CB 1.735 39.771 38.000 0.059 0.000 1.345 69 I HN 0.522 nan 8.210 nan 0.000 0.461 70 E N 4.528 124.865 120.200 0.227 0.000 2.227 70 E HA 0.353 4.703 4.350 0.000 0.000 0.268 70 E C -0.272 176.495 176.600 0.279 0.000 0.907 70 E CA -0.667 55.894 56.400 0.267 0.000 0.786 70 E CB 2.865 32.654 29.700 0.149 0.000 1.191 70 E HN 0.596 nan 8.360 nan 0.000 0.411 71 H N 2.037 121.140 119.070 0.055 0.000 2.956 71 H HA 0.214 4.770 4.556 0.000 0.000 0.270 71 H C -0.335 174.886 175.328 -0.177 0.000 1.318 71 H CA -0.012 55.843 56.048 -0.322 0.000 1.872 71 H CB 0.394 29.743 29.762 -0.688 0.000 1.522 71 H HN 0.313 nan 8.280 nan 0.000 0.580 72 F N 2.110 121.949 119.950 -0.186 0.000 2.410 72 F HA 0.248 4.775 4.527 0.000 0.000 0.349 72 F C 1.260 177.046 175.800 -0.024 0.000 1.117 72 F CA -0.415 57.476 58.000 -0.183 0.000 1.104 72 F CB 1.566 40.478 39.000 -0.146 0.000 1.122 72 F HN 0.381 nan 8.300 nan 0.000 0.483 73 Q N 1.789 121.680 119.800 0.152 0.000 2.403 73 Q HA 0.092 4.432 4.340 0.000 0.000 0.203 73 Q C 1.876 177.907 176.000 0.051 0.000 0.932 73 Q CA 0.455 56.304 55.803 0.076 0.000 0.945 73 Q CB 0.323 29.075 28.738 0.024 0.000 1.045 73 Q HN 1.013 nan 8.270 nan 0.000 0.511 74 G N 0.779 109.605 108.800 0.043 0.000 2.813 74 G HA2 0.186 4.146 3.960 0.000 0.000 0.209 74 G HA3 0.186 4.146 3.960 0.000 0.000 0.209 74 G C 0.580 175.506 174.900 0.044 0.000 1.150 74 G CA 0.292 45.394 45.100 0.002 0.000 0.785 74 G HN 0.341 nan 8.290 nan 0.000 0.535 75 A N -0.176 122.711 122.820 0.111 0.000 2.492 75 A HA 0.382 4.702 4.320 0.000 0.000 0.236 75 A C 1.533 179.180 177.584 0.105 0.000 1.078 75 A CA -0.166 51.952 52.037 0.135 0.000 0.773 75 A CB 0.337 19.463 19.000 0.209 0.000 1.023 75 A HN 0.212 nan 8.150 nan 0.000 0.504 76 L N 0.606 121.889 121.223 0.101 0.000 2.072 76 L HA -0.108 4.232 4.340 0.000 0.000 0.205 76 L C 0.577 177.513 176.870 0.111 0.000 1.079 76 L CA 1.102 55.994 54.840 0.087 0.000 0.752 76 L CB -0.726 41.379 42.059 0.075 0.000 0.906 76 L HN 0.907 nan 8.230 nan 0.000 0.436 77 N N 1.632 120.425 118.700 0.156 0.000 2.607 77 N HA -0.175 4.565 4.740 0.000 0.000 0.285 77 N C -0.592 175.028 175.510 0.183 0.000 1.151 77 N CA -0.237 52.941 53.050 0.214 0.000 0.749 77 N CB -0.849 37.782 38.487 0.241 0.000 0.923 77 N HN 0.361 nan 8.380 nan 0.000 0.552 78 N N 0.236 119.010 118.700 0.123 0.000 2.463 78 N HA 0.373 5.113 4.740 0.000 0.000 0.270 78 N C 0.960 176.415 175.510 -0.093 0.000 1.205 78 N CA 0.026 53.106 53.050 0.050 0.000 0.974 78 N CB 0.894 39.402 38.487 0.035 0.000 1.197 78 N HN 0.395 nan 8.380 nan 0.000 0.504 79 G N 0.122 108.769 108.800 -0.256 0.000 2.525 79 G HA2 0.332 4.292 3.960 0.000 0.000 0.287 79 G HA3 0.332 4.292 3.960 0.000 0.000 0.287 79 G C -2.405 172.276 174.900 -0.365 0.000 1.350 79 G CA -0.690 44.019 45.100 -0.651 0.000 1.039 79 G HN 0.340 nan 8.290 nan 0.000 0.513 80 P HA 0.172 nan 4.420 nan 0.000 0.274 80 P C -0.988 175.886 177.300 -0.709 0.000 1.246 80 P CA 0.080 62.853 63.100 -0.544 0.000 0.795 80 P CB 0.950 32.322 31.700 -0.546 0.000 1.006 81 H N -0.248 118.623 119.070 -0.332 0.000 2.679 81 H HA 0.278 4.834 4.556 0.000 0.000 0.367 81 H C 0.142 175.294 175.328 -0.293 0.000 1.162 81 H CA -0.368 55.512 56.048 -0.280 0.000 1.181 81 H CB 0.347 30.035 29.762 -0.124 0.000 1.693 81 H HN 0.346 nan 8.280 nan 0.000 0.538 82 Y N 2.101 122.345 120.300 -0.094 0.000 2.788 82 Y HA -0.020 4.530 4.550 0.000 0.000 0.341 82 Y C -1.324 174.440 175.900 -0.226 0.000 1.258 82 Y CA -1.496 56.492 58.100 -0.186 0.000 1.503 82 Y CB -0.071 38.302 38.460 -0.145 0.000 1.325 82 Y HN 0.369 nan 8.280 nan 0.000 0.614 83 P HA 0.074 nan 4.420 nan 0.000 0.226 83 P C -0.813 176.321 177.300 -0.277 0.000 1.783 83 P CA -0.028 62.957 63.100 -0.192 0.000 0.980 83 P CB -0.273 31.267 31.700 -0.267 0.000 1.967 84 L N 1.856 122.896 121.223 -0.304 0.000 2.439 84 L HA 0.178 4.518 4.340 0.000 0.000 0.269 84 L C 1.057 177.743 176.870 -0.306 0.000 1.179 84 L CA 0.533 55.048 54.840 -0.542 0.000 0.828 84 L CB -0.200 41.480 42.059 -0.631 0.000 1.106 84 L HN 0.116 nan 8.230 nan 0.000 0.467 85 N N 3.990 122.516 118.700 -0.290 0.000 2.485 85 N HA 0.353 5.093 4.740 0.000 0.000 0.243 85 N C -0.773 174.812 175.510 0.125 0.000 0.987 85 N CA -0.096 52.922 53.050 -0.052 0.000 0.940 85 N CB 1.037 39.497 38.487 -0.046 0.000 1.122 85 N HN 0.412 nan 8.380 nan 0.000 0.509 86 I N 3.370 124.004 120.570 0.107 0.000 2.354 86 I HA 0.293 4.463 4.170 0.000 0.000 0.286 86 I C 0.090 176.273 176.117 0.109 0.000 1.007 86 I CA -0.553 60.847 61.300 0.167 0.000 1.167 86 I CB 1.232 39.345 38.000 0.187 0.000 1.320 86 I HN 0.150 nan 8.210 nan 0.000 0.458 87 L N 6.000 127.282 121.223 0.097 0.000 2.357 87 L HA 0.329 4.669 4.340 0.000 0.000 0.273 87 L C 1.014 177.939 176.870 0.090 0.000 1.080 87 L CA -0.487 54.395 54.840 0.069 0.000 0.803 87 L CB 1.062 43.146 42.059 0.041 0.000 1.174 87 L HN 0.586 nan 8.230 nan 0.000 0.443 88 Q N 1.020 120.865 119.800 0.075 0.000 2.352 88 Q HA 0.010 4.350 4.340 0.000 0.000 0.212 88 Q C 0.167 176.213 176.000 0.077 0.000 0.888 88 Q CA 0.360 56.214 55.803 0.084 0.000 0.934 88 Q CB 0.542 29.318 28.738 0.064 0.000 1.093 88 Q HN 0.735 nan 8.270 nan 0.000 0.523 89 D N -0.339 120.095 120.400 0.058 0.000 2.559 89 D HA 0.063 4.703 4.640 0.000 0.000 0.234 89 D C 0.135 176.458 176.300 0.039 0.000 1.226 89 D CA -0.331 53.697 54.000 0.046 0.000 0.830 89 D CB 0.202 41.020 40.800 0.031 0.000 1.028 89 D HN -0.230 nan 8.370 nan 0.000 0.492 90 V N 1.189 121.134 119.914 0.051 0.000 2.655 90 V HA -0.041 4.079 4.120 0.000 0.000 0.300 90 V C 0.910 177.016 176.094 0.020 0.000 1.044 90 V CA -0.305 62.014 62.300 0.031 0.000 1.095 90 V CB 0.789 32.636 31.823 0.039 0.000 0.952 90 V HN 0.190 nan 8.190 nan 0.000 0.485 91 K N 5.111 125.505 120.400 -0.011 0.000 2.338 91 K HA 0.420 4.740 4.320 0.000 0.000 0.290 91 K C -0.497 176.057 176.600 -0.076 0.000 1.069 91 K CA -0.302 55.965 56.287 -0.033 0.000 0.941 91 K CB 0.616 33.093 32.500 -0.038 0.000 1.023 91 K HN 0.657 nan 8.250 nan 0.000 0.477 92 V N 0.365 120.219 119.914 -0.101 0.000 3.155 92 V HA 0.645 4.765 4.120 0.000 0.000 0.313 92 V C -0.729 175.230 176.094 -0.224 0.000 1.162 92 V CA -0.756 61.399 62.300 -0.242 0.000 1.048 92 V CB 2.057 33.640 31.823 -0.401 0.000 1.092 92 V HN 0.642 nan 8.190 nan 0.000 0.447 93 T N 2.341 116.699 114.554 -0.327 0.000 2.879 93 T HA 0.698 5.048 4.350 0.000 0.000 0.290 93 T C -0.709 173.852 174.700 -0.231 0.000 0.993 93 T CA -0.033 61.938 62.100 -0.215 0.000 0.975 93 T CB 0.889 69.654 68.868 -0.172 0.000 0.981 93 T HN 0.658 nan 8.240 nan 0.000 0.439 94 I N 3.831 124.340 120.570 -0.101 0.000 2.389 94 I HA 0.378 4.548 4.170 0.000 0.000 0.288 94 I C 0.054 176.160 176.117 -0.019 0.000 0.999 94 I CA -0.688 60.598 61.300 -0.024 0.000 1.129 94 I CB 1.529 39.581 38.000 0.087 0.000 1.288 94 I HN 0.640 nan 8.210 nan 0.000 0.444 95 E N 5.542 125.725 120.200 -0.029 0.000 2.220 95 E HA 0.315 4.665 4.350 0.000 0.000 0.256 95 E C -1.244 175.353 176.600 -0.006 0.000 0.881 95 E CA -0.839 55.549 56.400 -0.020 0.000 0.766 95 E CB 1.521 31.199 29.700 -0.036 0.000 1.187 95 E HN 0.436 nan 8.360 nan 0.000 0.419 96 N N 3.496 122.200 118.700 0.007 0.000 2.485 96 N HA 0.162 4.902 4.740 0.000 0.000 0.243 96 N C -0.866 174.650 175.510 0.010 0.000 0.987 96 N CA -0.073 52.984 53.050 0.013 0.000 0.940 96 N CB 1.334 39.834 38.487 0.022 0.000 1.122 96 N HN 0.694 nan 8.380 nan 0.000 0.509 97 T N -0.002 114.561 114.554 0.016 0.000 2.844 97 T HA 0.341 4.691 4.350 0.000 0.000 0.274 97 T C 1.052 175.744 174.700 -0.013 0.000 0.991 97 T CA -0.426 61.678 62.100 0.008 0.000 0.983 97 T CB 0.929 69.812 68.868 0.025 0.000 1.310 97 T HN 0.340 nan 8.240 nan 0.000 0.596 98 E N 0.144 120.328 120.200 -0.027 0.000 2.031 98 E HA -0.098 4.252 4.350 0.000 0.000 0.193 98 E C 2.280 178.820 176.600 -0.101 0.000 0.994 98 E CA 1.279 57.649 56.400 -0.051 0.000 0.800 98 E CB -0.063 29.611 29.700 -0.044 0.000 0.752 98 E HN 0.610 nan 8.360 nan 0.000 0.447 99 R N -1.841 118.567 120.500 -0.154 0.000 2.189 99 R HA 0.095 4.435 4.340 0.000 0.000 0.203 99 R C -0.208 175.746 176.300 -0.577 0.000 1.012 99 R CA 0.449 56.320 56.100 -0.382 0.000 1.015 99 R CB 0.301 30.321 30.300 -0.467 0.000 0.938 99 R HN 0.158 nan 8.270 nan 0.000 0.472 100 Y N -1.710 118.553 120.300 -0.062 0.000 2.644 100 Y HA 0.620 5.170 4.550 0.000 0.000 0.338 100 Y C -0.845 174.997 175.900 -0.097 0.000 1.119 100 Y CA -1.325 56.716 58.100 -0.097 0.000 1.060 100 Y CB 2.053 40.442 38.460 -0.118 0.000 1.294 100 Y HN -0.103 nan 8.280 nan 0.000 0.472 101 A N 1.264 124.128 122.820 0.074 0.000 2.353 101 A HA 0.642 4.962 4.320 0.000 0.000 0.299 101 A C -1.398 176.113 177.584 -0.121 0.000 1.089 101 A CA -0.534 51.487 52.037 -0.026 0.000 0.736 101 A CB 1.289 20.264 19.000 -0.042 0.000 1.195 101 A HN 0.705 nan 8.150 nan 0.000 0.447 102 E N 2.172 122.306 120.200 -0.110 0.000 2.246 102 E HA 0.545 4.895 4.350 0.000 0.000 0.266 102 E C -1.924 174.618 176.600 -0.097 0.000 0.880 102 E CA -0.488 55.812 56.400 -0.167 0.000 0.762 102 E CB 1.430 31.026 29.700 -0.172 0.000 1.180 102 E HN 0.557 nan 8.360 nan 0.000 0.416 103 F N 4.003 123.786 119.950 -0.278 0.000 2.443 103 F HA 0.519 5.046 4.527 0.000 0.000 0.335 103 F C -0.853 174.872 175.800 -0.124 0.000 1.104 103 F CA -0.492 57.407 58.000 -0.168 0.000 1.013 103 F CB 1.110 40.014 39.000 -0.160 0.000 1.136 103 F HN 0.303 nan 8.300 nan 0.000 0.470 104 K N 3.878 123.818 120.400 -0.768 0.000 2.482 104 K HA 0.511 4.831 4.320 0.000 0.000 0.251 104 K C -1.749 174.521 176.600 -0.549 0.000 0.936 104 K CA -0.602 55.394 56.287 -0.485 0.000 0.791 104 K CB 1.816 34.147 32.500 -0.283 0.000 1.213 104 K HN 0.578 nan 8.250 nan 0.000 0.428 105 S N 3.126 118.644 115.700 -0.302 0.000 2.707 105 S HA 0.625 5.095 4.470 0.000 0.000 0.312 105 S C 0.295 174.827 174.600 -0.113 0.000 1.116 105 S CA 0.546 58.630 58.200 -0.195 0.000 1.078 105 S CB 0.606 63.758 63.200 -0.080 0.000 0.997 105 S HN 1.078 nan 8.310 nan 0.000 0.477 106 G N 5.729 114.463 108.800 -0.108 0.000 2.565 106 G HA2 -0.331 3.629 3.960 0.000 0.000 0.295 106 G HA3 -0.331 3.629 3.960 0.000 0.000 0.295 106 G C 0.491 175.346 174.900 -0.075 0.000 1.165 106 G CA 0.731 45.784 45.100 -0.079 0.000 0.977 106 G HN 0.663 nan 8.290 nan 0.000 0.546 107 N N -0.030 118.636 118.700 -0.056 0.000 2.299 107 N HA 0.372 5.112 4.740 0.000 0.000 0.187 107 N C 0.406 175.892 175.510 -0.041 0.000 1.099 107 N CA 0.342 53.363 53.050 -0.048 0.000 0.867 107 N CB 0.372 38.839 38.487 -0.034 0.000 0.974 107 N HN 0.519 nan 8.380 nan 0.000 0.477 108 L N 0.874 122.077 121.223 -0.032 0.000 2.289 108 L HA 0.565 4.905 4.340 0.000 0.000 0.285 108 L C -0.146 176.720 176.870 -0.006 0.000 1.049 108 L CA -0.495 54.344 54.840 -0.001 0.000 0.804 108 L CB 1.035 43.111 42.059 0.028 0.000 1.195 108 L HN 0.076 nan 8.230 nan 0.000 0.428 109 S N 3.690 119.393 115.700 0.007 0.000 2.569 109 S HA 0.951 5.421 4.470 0.000 0.000 0.280 109 S C -0.859 173.733 174.600 -0.013 0.000 1.111 109 S CA -0.394 57.789 58.200 -0.027 0.000 0.887 109 S CB 1.648 64.779 63.200 -0.115 0.000 1.095 109 S HN 1.059 nan 8.310 nan 0.000 0.476 110 A N 1.960 124.733 122.820 -0.078 0.000 2.287 110 A HA 0.805 5.125 4.320 0.000 0.000 0.317 110 A C -0.189 177.106 177.584 -0.482 0.000 1.220 110 A CA -0.786 51.038 52.037 -0.354 0.000 0.835 110 A CB 0.836 19.650 19.000 -0.310 0.000 1.180 110 A HN 0.852 nan 8.150 nan 0.000 0.500 111 R N 2.758 122.944 120.500 -0.524 0.000 2.439 111 R HA 0.581 4.921 4.340 0.000 0.000 0.310 111 R C -1.751 174.273 176.300 -0.459 0.000 0.955 111 R CA -0.343 55.480 56.100 -0.462 0.000 0.853 111 R CB 1.618 31.641 30.300 -0.461 0.000 1.171 111 R HN 0.492 nan 8.270 nan 0.000 0.449 112 V N 3.156 122.833 119.914 -0.395 0.000 2.394 112 V HA 0.254 4.374 4.120 0.000 0.000 0.282 112 V C 0.040 176.041 176.094 -0.156 0.000 1.031 112 V CA -0.567 61.479 62.300 -0.423 0.000 0.881 112 V CB 1.765 33.325 31.823 -0.439 0.000 0.982 112 V HN 0.770 nan 8.190 nan 0.000 0.451 113 S N 5.228 120.813 115.700 -0.191 0.000 2.474 113 S HA 0.302 4.772 4.470 0.000 0.000 0.276 113 S C 0.183 174.718 174.600 -0.109 0.000 1.227 113 S CA -0.485 57.699 58.200 -0.027 0.000 1.050 113 S CB 0.228 63.426 63.200 -0.002 0.000 0.939 113 S HN 0.611 nan 8.310 nan 0.000 0.490 114 K N 1.728 122.052 120.400 -0.126 0.000 2.102 114 K HA 0.633 4.953 4.320 0.000 0.000 0.244 114 K C 0.940 177.518 176.600 -0.037 0.000 1.021 114 K CA -0.071 56.189 56.287 -0.046 0.000 0.913 114 K CB 0.529 32.989 32.500 -0.067 0.000 1.062 114 K HN 0.830 nan 8.250 nan 0.000 0.485 115 G N 0.645 109.450 108.800 0.008 0.000 2.587 115 G HA2 -0.273 3.687 3.960 0.000 0.000 0.212 115 G HA3 -0.273 3.687 3.960 0.000 0.000 0.212 115 G C 0.565 175.461 174.900 -0.007 0.000 1.327 115 G CA 0.249 45.346 45.100 -0.005 0.000 0.898 115 G HN 0.726 nan 8.290 nan 0.000 0.551 116 E N -0.753 119.383 120.200 -0.107 0.000 2.028 116 E HA 0.022 4.372 4.350 0.000 0.000 0.191 116 E C 0.679 177.072 176.600 -0.346 0.000 0.988 116 E CA 0.817 57.030 56.400 -0.313 0.000 0.799 116 E CB -0.073 29.260 29.700 -0.612 0.000 0.755 116 E HN 0.326 nan 8.360 nan 0.000 0.447 117 F N 1.851 121.843 119.950 0.070 0.000 2.509 117 F HA 0.113 4.640 4.527 0.000 0.000 0.350 117 F C 0.404 176.282 175.800 0.131 0.000 1.220 117 F CA -0.611 57.445 58.000 0.093 0.000 1.151 117 F CB -0.071 38.957 39.000 0.046 0.000 1.379 117 F HN 0.147 nan 8.300 nan 0.000 0.610 118 W N 3.829 125.193 121.300 0.108 0.000 2.137 118 W HA 0.430 5.090 4.660 0.000 0.000 0.344 118 W C -0.574 176.002 176.519 0.094 0.000 1.286 118 W CA -0.067 57.328 57.345 0.083 0.000 1.240 118 W CB 1.357 30.850 29.460 0.054 0.000 1.141 118 W HN 0.422 nan 8.180 nan 0.000 0.579 119 S N 5.565 120.797 115.700 -0.781 0.000 2.578 119 S HA 0.404 4.874 4.470 0.000 0.000 0.285 119 S C -1.978 172.173 174.600 -0.748 0.000 1.126 119 S CA -0.841 57.047 58.200 -0.520 0.000 0.878 119 S CB 0.652 63.759 63.200 -0.155 0.000 1.091 119 S HN 0.567 nan 8.310 nan 0.000 0.450 120 L N 4.014 124.961 121.223 -0.461 0.000 2.342 120 L HA 0.616 4.956 4.340 0.000 0.000 0.276 120 L C -1.549 175.102 176.870 -0.366 0.000 0.997 120 L CA -0.404 54.175 54.840 -0.434 0.000 0.838 120 L CB 1.055 42.991 42.059 -0.204 0.000 1.224 120 L HN 0.673 nan 8.230 nan 0.000 0.416 121 D N 4.672 124.801 120.400 -0.452 0.000 2.362 121 D HA 0.374 5.014 4.640 0.000 0.000 0.247 121 D C -0.986 175.011 176.300 -0.505 0.000 1.050 121 D CA -0.011 53.776 54.000 -0.355 0.000 0.839 121 D CB 2.177 42.826 40.800 -0.252 0.000 1.283 121 D HN 0.171 nan 8.370 nan 0.000 0.477 122 F N 1.597 121.487 119.950 -0.100 0.000 2.404 122 F HA 0.337 4.864 4.527 0.000 0.000 0.354 122 F C 0.054 175.779 175.800 -0.126 0.000 1.122 122 F CA -0.680 57.257 58.000 -0.104 0.000 1.080 122 F CB 1.031 39.965 39.000 -0.110 0.000 1.131 122 F HN -0.044 nan 8.300 nan 0.000 0.471 123 L N 3.774 125.007 121.223 0.017 0.000 2.354 123 L HA 0.556 4.896 4.340 0.000 0.000 0.269 123 L C -0.298 176.562 176.870 -0.016 0.000 1.005 123 L CA -0.809 54.012 54.840 -0.032 0.000 0.819 123 L CB 2.055 44.054 42.059 -0.099 0.000 1.311 123 L HN 0.582 nan 8.230 nan 0.000 0.423 124 R N 3.034 123.523 120.500 -0.018 0.000 2.337 124 R HA 0.267 4.607 4.340 0.000 0.000 0.319 124 R C -0.435 175.849 176.300 -0.027 0.000 0.954 124 R CA -0.409 55.683 56.100 -0.012 0.000 0.840 124 R CB 0.629 30.933 30.300 0.008 0.000 1.164 124 R HN 0.665 nan 8.270 nan 0.000 0.472 125 N N 2.990 121.667 118.700 -0.038 0.000 2.705 125 N HA -0.232 4.508 4.740 0.000 0.000 0.255 125 N C 0.714 176.194 175.510 -0.051 0.000 1.008 125 N CA 1.476 54.499 53.050 -0.044 0.000 0.742 125 N CB -0.858 37.609 38.487 -0.033 0.000 0.906 125 N HN 1.117 nan 8.380 nan 0.000 0.541 126 G N -0.935 107.825 108.800 -0.068 0.000 2.328 126 G HA2 -0.348 3.612 3.960 0.000 0.000 0.256 126 G HA3 -0.348 3.612 3.960 0.000 0.000 0.256 126 G C -0.061 174.794 174.900 -0.075 0.000 1.014 126 G CA 0.820 45.872 45.100 -0.081 0.000 0.620 126 G HN 0.573 nan 8.290 nan 0.000 0.530 127 E N 0.421 120.590 120.200 -0.051 0.000 2.266 127 E HA 0.431 4.781 4.350 0.000 0.000 0.277 127 E C 0.286 176.865 176.600 -0.035 0.000 1.018 127 E CA -0.844 55.533 56.400 -0.039 0.000 0.840 127 E CB 1.263 30.951 29.700 -0.019 0.000 1.082 127 E HN 0.295 nan 8.360 nan 0.000 0.395 128 R N 3.248 123.728 120.500 -0.034 0.000 2.288 128 R HA 0.087 4.427 4.340 0.000 0.000 0.330 128 R C 1.135 177.438 176.300 0.005 0.000 1.069 128 R CA 0.047 56.133 56.100 -0.024 0.000 0.941 128 R CB 0.031 30.311 30.300 -0.032 0.000 0.998 128 R HN 0.615 nan 8.270 nan 0.000 0.452 129 I N -0.237 120.332 120.570 -0.002 0.000 3.228 129 I HA 0.229 4.399 4.170 0.000 0.000 0.279 129 I C 0.649 176.742 176.117 -0.040 0.000 1.221 129 I CA -0.029 61.274 61.300 0.005 0.000 1.458 129 I CB 0.497 38.489 38.000 -0.014 0.000 1.105 129 I HN 0.468 nan 8.210 nan 0.000 0.445 130 T N -1.024 113.496 114.554 -0.055 0.000 2.661 130 T HA 0.646 4.996 4.350 0.000 0.000 0.303 130 T C -1.028 173.779 174.700 0.179 0.000 1.658 130 T CA 0.042 62.143 62.100 0.002 0.000 0.974 130 T CB 1.134 69.866 68.868 -0.226 0.000 1.857 130 T HN 0.671 nan 8.240 nan 0.000 0.475 131 G N 0.465 109.423 108.800 0.263 0.000 0.000 131 G HA2 0.452 4.412 3.960 0.000 0.000 0.000 131 G HA3 0.452 4.412 3.960 0.000 0.000 0.000 131 G C -1.439 173.595 174.900 0.223 0.000 0.000 131 G CA 0.336 45.638 45.100 0.336 0.000 0.000 131 G HN 0.981 nan 8.290 nan 0.000 0.000 132 S N -0.534 115.269 115.700 0.173 0.000 2.478 132 S HA 0.607 5.077 4.470 0.000 0.000 0.312 132 S C 0.054 174.717 174.600 0.104 0.000 1.094 132 S CA -0.384 57.894 58.200 0.130 0.000 1.081 132 S CB 1.072 64.374 63.200 0.171 0.000 1.007 132 S HN 0.580 nan 8.310 nan 0.000 0.475 133 Q N 1.649 121.499 119.800 0.082 0.000 2.318 133 Q HA 0.365 4.705 4.340 0.000 0.000 0.222 133 Q C -0.110 175.983 176.000 0.155 0.000 1.003 133 Q CA -0.646 55.216 55.803 0.099 0.000 0.936 133 Q CB 1.024 29.796 28.738 0.057 0.000 1.204 133 Q HN 0.573 nan 8.270 nan 0.000 0.524 134 V N 2.059 122.104 119.914 0.218 0.000 2.540 134 V HA -0.069 4.051 4.120 0.000 0.000 0.297 134 V C -0.018 176.063 176.094 -0.022 0.000 1.024 134 V CA 0.937 63.364 62.300 0.213 0.000 1.105 134 V CB -0.514 31.468 31.823 0.264 0.000 0.938 134 V HN 0.808 nan 8.190 nan 0.000 0.482 135 K N 3.729 124.009 120.400 -0.201 0.000 3.379 135 K HA -0.135 4.185 4.320 0.000 0.000 0.300 135 K C 0.422 176.734 176.600 -0.480 0.000 1.302 135 K CA 0.997 56.925 56.287 -0.599 0.000 0.877 135 K CB -1.420 30.828 32.500 -0.421 0.000 1.343 135 K HN 0.822 nan 8.250 nan 0.000 0.488 136 N N 1.068 119.606 118.700 -0.271 0.000 2.234 136 N HA 0.034 4.774 4.740 0.000 0.000 0.227 136 N C -0.648 174.583 175.510 -0.466 0.000 1.151 136 N CA 0.172 53.120 53.050 -0.170 0.000 0.865 136 N CB 0.421 38.866 38.487 -0.069 0.000 1.066 136 N HN 0.472 nan 8.380 nan 0.000 0.515 137 N N -0.915 117.325 118.700 -0.767 0.000 2.927 137 N HA 0.660 5.400 4.740 0.000 0.000 0.248 137 N C -0.061 174.858 175.510 -0.986 0.000 1.443 137 N CA -0.448 51.881 53.050 -1.202 0.000 0.870 137 N CB 1.422 39.569 38.487 -0.567 0.000 1.444 137 N HN -0.019 nan 8.380 nan 0.000 0.519 138 G N -1.458 106.810 108.800 -0.886 0.000 2.332 138 G HA2 0.214 4.174 3.960 0.000 0.000 0.265 138 G HA3 0.214 4.174 3.960 0.000 0.000 0.265 138 G C -2.426 172.533 174.900 0.099 0.000 1.329 138 G CA -0.808 44.057 45.100 -0.391 0.000 0.949 138 G HN 0.744 nan 8.290 nan 0.000 0.476 139 Y N 0.001 120.413 120.300 0.186 0.000 2.377 139 Y HA 0.693 5.243 4.550 0.000 0.000 0.339 139 Y C -0.238 175.732 175.900 0.116 0.000 1.011 139 Y CA -0.824 57.360 58.100 0.140 0.000 1.093 139 Y CB 2.175 40.609 38.460 -0.043 0.000 1.201 139 Y HN 0.488 nan 8.280 nan 0.000 0.455 140 V N 6.237 125.974 119.914 -0.295 0.000 2.487 140 V HA 0.347 4.467 4.120 0.000 0.000 0.298 140 V C -0.827 174.983 176.094 -0.474 0.000 1.028 140 V CA -0.865 61.295 62.300 -0.233 0.000 0.860 140 V CB 1.624 33.402 31.823 -0.074 0.000 0.991 140 V HN 0.746 nan 8.190 nan 0.000 0.427 141 Q N 3.020 122.655 119.800 -0.275 0.000 2.368 141 Q HA 0.275 4.615 4.340 0.000 0.000 0.263 141 Q C -1.054 174.885 176.000 -0.101 0.000 1.009 141 Q CA -0.519 55.153 55.803 -0.219 0.000 0.818 141 Q CB 1.238 29.933 28.738 -0.072 0.000 1.239 141 Q HN 0.786 nan 8.270 nan 0.000 0.464 142 D N 3.012 123.361 120.400 -0.086 0.000 2.380 142 D HA 0.098 4.738 4.640 0.000 0.000 0.230 142 D C 0.242 176.527 176.300 -0.026 0.000 1.154 142 D CA 0.002 53.993 54.000 -0.014 0.000 0.859 142 D CB 1.449 42.294 40.800 0.076 0.000 1.045 142 D HN 0.544 nan 8.370 nan 0.000 0.495 143 T N 2.980 117.524 114.554 -0.017 0.000 2.951 143 T HA -0.080 4.270 4.350 0.000 0.000 0.268 143 T C 1.599 176.295 174.700 -0.007 0.000 1.073 143 T CA 0.512 62.606 62.100 -0.010 0.000 1.134 143 T CB 0.124 68.989 68.868 -0.006 0.000 0.884 143 T HN 0.450 nan 8.240 nan 0.000 0.479 144 N N 2.676 121.372 118.700 -0.006 0.000 2.166 144 N HA -0.091 4.649 4.740 0.000 0.000 0.186 144 N C 1.309 176.817 175.510 -0.003 0.000 1.019 144 N CA 1.331 54.378 53.050 -0.004 0.000 0.856 144 N CB -0.207 38.277 38.487 -0.006 0.000 0.993 144 N HN 0.616 nan 8.380 nan 0.000 0.426 145 N N -0.452 118.247 118.700 -0.003 0.000 2.160 145 N HA 0.011 4.751 4.740 0.000 0.000 0.226 145 N C -0.578 174.919 175.510 -0.021 0.000 1.256 145 N CA 0.011 53.057 53.050 -0.006 0.000 0.890 145 N CB 0.343 38.833 38.487 0.005 0.000 1.116 145 N HN -0.238 nan 8.380 nan 0.000 0.517 146 Q N -0.813 118.969 119.800 -0.029 0.000 2.503 146 Q HA -0.217 4.123 4.340 0.000 0.000 0.267 146 Q C -0.852 175.097 176.000 -0.086 0.000 1.030 146 Q CA 0.906 56.685 55.803 -0.039 0.000 1.041 146 Q CB -2.505 26.221 28.738 -0.020 0.000 1.406 146 Q HN 0.664 nan 8.270 nan 0.000 0.524 147 R N 0.582 120.995 120.500 -0.146 0.000 2.664 147 R HA 0.595 4.935 4.340 0.000 0.000 0.286 147 R C -0.052 175.935 176.300 -0.522 0.000 0.967 147 R CA -0.774 55.133 56.100 -0.322 0.000 0.933 147 R CB 1.068 31.144 30.300 -0.373 0.000 1.146 147 R HN 0.038 nan 8.270 nan 0.000 0.468 148 N N 1.824 120.133 118.700 -0.652 0.000 2.284 148 N HA 0.339 5.079 4.740 0.000 0.000 0.300 148 N C -1.394 173.599 175.510 -0.861 0.000 1.047 148 N CA -0.408 52.212 53.050 -0.717 0.000 0.821 148 N CB 1.816 40.048 38.487 -0.425 0.000 1.337 148 N HN 0.378 nan 8.380 nan 0.000 0.482 149 Y N 0.264 120.319 120.300 -0.407 0.000 2.570 149 Y HA 0.550 5.100 4.550 0.000 0.000 0.345 149 Y C 0.235 176.023 175.900 -0.186 0.000 1.014 149 Y CA -1.005 56.948 58.100 -0.244 0.000 1.063 149 Y CB 1.509 39.855 38.460 -0.190 0.000 1.272 149 Y HN 0.167 nan 8.280 nan 0.000 0.477 150 M N 2.901 122.586 119.600 0.141 0.000 2.528 150 M HA 0.488 4.968 4.480 0.000 0.000 0.321 150 M C -1.143 175.283 176.300 0.210 0.000 1.153 150 M CA -0.839 54.571 55.300 0.184 0.000 0.951 150 M CB 1.543 34.226 32.600 0.139 0.000 1.705 150 M HN 0.725 nan 8.290 nan 0.000 0.451 151 F N 0.213 120.129 119.950 -0.056 0.000 2.645 151 F HA 0.870 5.397 4.527 0.000 0.000 0.310 151 F C -1.265 174.383 175.800 -0.254 0.000 1.102 151 F CA -0.952 56.947 58.000 -0.168 0.000 0.952 151 F CB 1.597 40.491 39.000 -0.177 0.000 1.326 151 F HN 0.553 nan 8.300 nan 0.000 0.456 152 E N 1.051 120.892 120.200 -0.598 0.000 2.356 152 E HA 0.593 4.943 4.350 0.000 0.000 0.275 152 E C -1.806 174.346 176.600 -0.747 0.000 0.904 152 E CA -0.722 55.185 56.400 -0.821 0.000 0.757 152 E CB 2.082 31.195 29.700 -0.978 0.000 1.232 152 E HN 0.744 nan 8.360 nan 0.000 0.442 153 R N 3.420 123.660 120.500 -0.433 0.000 2.468 153 R HA 0.432 4.772 4.340 0.000 0.000 0.302 153 R C -0.777 175.467 176.300 -0.093 0.000 1.041 153 R CA -0.539 55.433 56.100 -0.213 0.000 0.899 153 R CB 0.896 31.160 30.300 -0.060 0.000 1.167 153 R HN 0.431 nan 8.270 nan 0.000 0.483 154 L N 2.969 124.190 121.223 -0.004 0.000 2.292 154 L HA 0.305 4.645 4.340 0.000 0.000 0.284 154 L C 0.189 177.141 176.870 0.136 0.000 1.065 154 L CA -0.784 54.135 54.840 0.131 0.000 0.806 154 L CB 0.980 43.192 42.059 0.254 0.000 1.175 154 L HN 0.397 nan 8.230 nan 0.000 0.431 155 D N 3.230 123.705 120.400 0.124 0.000 2.361 155 D HA 0.409 5.049 4.640 0.000 0.000 0.239 155 D C -0.251 176.132 176.300 0.139 0.000 1.200 155 D CA 0.228 54.289 54.000 0.101 0.000 0.915 155 D CB 1.199 42.047 40.800 0.080 0.000 1.170 155 D HN 0.226 nan 8.370 nan 0.000 0.444 156 L N 0.441 121.721 121.223 0.096 0.000 2.410 156 L HA 0.489 4.829 4.340 0.000 0.000 0.270 156 L C 0.867 177.776 176.870 0.066 0.000 0.983 156 L CA -0.817 54.080 54.840 0.094 0.000 0.822 156 L CB 2.184 44.267 42.059 0.040 0.000 1.285 156 L HN 0.344 nan 8.230 nan 0.000 0.409 157 G N 1.512 110.357 108.800 0.074 0.000 2.543 157 G HA2 0.462 4.422 3.960 0.000 0.000 0.290 157 G HA3 0.462 4.422 3.960 0.000 0.000 0.290 157 G C -0.232 174.687 174.900 0.031 0.000 1.310 157 G CA -0.579 44.551 45.100 0.051 0.000 1.025 157 G HN 0.279 nan 8.290 nan 0.000 0.502 158 V N 0.735 120.664 119.914 0.024 0.000 2.599 158 V HA 0.382 4.502 4.120 0.000 0.000 0.300 158 V C 1.635 177.740 176.094 0.018 0.000 1.034 158 V CA 1.471 63.782 62.300 0.017 0.000 1.115 158 V CB 0.323 32.155 31.823 0.015 0.000 0.934 158 V HN 1.775 nan 8.190 nan 0.000 0.485 159 G N 3.454 112.264 108.800 0.016 0.000 2.166 159 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 159 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 159 G C 0.157 175.054 174.900 -0.006 0.000 0.986 159 G CA 0.505 45.614 45.100 0.015 0.000 0.683 159 G HN 0.869 nan 8.290 nan 0.000 0.527 160 E N 1.119 121.316 120.200 -0.005 0.000 2.289 160 E HA 0.546 4.896 4.350 0.000 0.000 0.278 160 E C 0.645 177.203 176.600 -0.071 0.000 1.032 160 E CA 0.206 56.597 56.400 -0.016 0.000 0.854 160 E CB 0.496 30.210 29.700 0.022 0.000 1.046 160 E HN 0.391 nan 8.360 nan 0.000 0.409 161 T N 0.369 114.860 114.554 -0.106 0.000 2.887 161 T HA 0.574 4.924 4.350 0.000 0.000 0.288 161 T C -0.473 174.035 174.700 -0.321 0.000 1.021 161 T CA -0.918 61.023 62.100 -0.264 0.000 1.000 161 T CB 1.509 70.139 68.868 -0.397 0.000 1.034 161 T HN 0.168 nan 8.240 nan 0.000 0.467 162 V N 2.509 122.108 119.914 -0.524 0.000 2.581 162 V HA 0.635 4.755 4.120 0.000 0.000 0.303 162 V C -1.206 174.453 176.094 -0.725 0.000 1.041 162 V CA -0.815 61.217 62.300 -0.446 0.000 0.907 162 V CB 0.987 32.570 31.823 -0.399 0.000 0.994 162 V HN 0.960 nan 8.190 nan 0.000 0.442 163 Y N 1.175 121.346 120.300 -0.215 0.000 2.609 163 Y HA 0.848 5.398 4.550 0.000 0.000 0.342 163 Y C 0.744 176.498 175.900 -0.243 0.000 1.058 163 Y CA 0.182 58.153 58.100 -0.215 0.000 1.055 163 Y CB 2.291 40.635 38.460 -0.193 0.000 1.292 163 Y HN 1.000 nan 8.280 nan 0.000 0.476 164 G N 0.122 108.883 108.800 -0.066 0.000 2.464 164 G HA2 -0.132 3.828 3.960 0.000 0.000 0.216 164 G HA3 -0.132 3.828 3.960 0.000 0.000 0.216 164 G C -0.350 174.433 174.900 -0.195 0.000 1.186 164 G CA -0.347 44.674 45.100 -0.133 0.000 1.010 164 G HN 1.225 nan 8.290 nan 0.000 0.585 165 L N -0.224 120.881 121.223 -0.196 0.000 4.140 165 L HA 0.068 4.408 4.340 0.000 0.000 0.406 165 L C 1.421 178.197 176.870 -0.155 0.000 1.175 165 L CA 1.380 56.084 54.840 -0.228 0.000 0.939 165 L CB -1.718 40.118 42.059 -0.372 0.000 2.105 165 L HN 2.948 nan 8.230 nan 0.000 0.803 166 G N 0.087 108.810 108.800 -0.128 0.000 2.627 166 G HA2 -0.217 3.743 3.960 0.000 0.000 0.214 166 G HA3 -0.217 3.743 3.960 0.000 0.000 0.214 166 G C -0.357 174.364 174.900 -0.298 0.000 1.331 166 G CA 0.110 45.100 45.100 -0.182 0.000 0.891 166 G HN 0.438 nan 8.290 nan 0.000 0.539 167 E N 0.924 120.892 120.200 -0.387 0.000 1.932 167 E HA 0.393 4.743 4.350 0.000 0.000 0.275 167 E C 0.540 176.742 176.600 -0.663 0.000 1.159 167 E CA -0.178 55.914 56.400 -0.514 0.000 0.905 167 E CB -0.005 29.425 29.700 -0.449 0.000 1.059 167 E HN 0.477 nan 8.360 nan 0.000 0.400 168 R N 3.390 123.491 120.500 -0.665 0.000 2.778 168 R HA 0.320 4.660 4.340 0.000 0.000 0.277 168 R C -0.207 175.642 176.300 -0.751 0.000 0.977 168 R CA -0.704 55.005 56.100 -0.651 0.000 0.950 168 R CB 0.840 30.951 30.300 -0.316 0.000 1.165 168 R HN 0.484 nan 8.270 nan 0.000 0.474 169 F N -0.235 119.693 119.950 -0.037 0.000 2.695 169 F HA 0.063 4.590 4.527 0.000 0.000 0.303 169 F C 1.372 177.164 175.800 -0.013 0.000 1.091 169 F CA -0.351 57.644 58.000 -0.008 0.000 1.300 169 F CB 0.185 39.206 39.000 0.035 0.000 1.071 169 F HN 0.465 nan 8.300 nan 0.000 0.578 170 T N -1.167 113.423 114.554 0.060 0.000 2.771 170 T HA 0.640 4.990 4.350 0.000 0.000 0.290 170 T C 0.701 175.396 174.700 -0.010 0.000 1.005 170 T CA -0.647 61.470 62.100 0.028 0.000 0.944 170 T CB 0.793 69.656 68.868 -0.009 0.000 1.147 170 T HN 0.167 nan 8.240 nan 0.000 0.534 171 A N 0.458 123.267 122.820 -0.018 0.000 2.603 171 A HA 0.170 4.491 4.320 0.000 0.000 0.235 171 A C 1.398 178.953 177.584 -0.048 0.000 1.035 171 A CA -0.329 51.693 52.037 -0.025 0.000 0.755 171 A CB -0.634 18.350 19.000 -0.026 0.000 0.954 171 A HN 0.992 nan 8.150 nan 0.000 0.511 172 L N 3.736 124.942 121.223 -0.029 0.000 2.042 172 L HA -0.065 4.275 4.340 0.000 0.000 0.210 172 L C 0.983 177.781 176.870 -0.120 0.000 1.076 172 L CA 1.763 56.579 54.840 -0.040 0.000 0.749 172 L CB -0.223 41.853 42.059 0.030 0.000 0.893 172 L HN 0.461 nan 8.230 nan 0.000 0.432 173 V N 0.975 120.799 119.914 -0.150 0.000 2.389 173 V HA 0.095 4.215 4.120 0.000 0.000 0.264 173 V C 1.438 177.370 176.094 -0.270 0.000 1.049 173 V CA -0.253 61.824 62.300 -0.372 0.000 0.932 173 V CB 0.893 32.551 31.823 -0.275 0.000 1.011 173 V HN 0.308 nan 8.190 nan 0.000 0.475 174 R N 3.160 123.452 120.500 -0.348 0.000 2.159 174 R HA -0.086 4.254 4.340 0.000 0.000 0.237 174 R C 0.648 176.823 176.300 -0.209 0.000 1.131 174 R CA 0.588 56.529 56.100 -0.264 0.000 0.982 174 R CB -0.547 29.562 30.300 -0.318 0.000 0.868 174 R HN 0.742 nan 8.270 nan 0.000 0.453 175 N N 0.182 118.754 118.700 -0.213 0.000 2.301 175 N HA 0.077 4.817 4.740 0.000 0.000 0.267 175 N C 0.916 176.369 175.510 -0.095 0.000 1.304 175 N CA 1.520 54.484 53.050 -0.143 0.000 0.851 175 N CB 0.362 38.783 38.487 -0.110 0.000 1.070 175 N HN 0.376 nan 8.380 nan 0.000 0.483 176 G N 0.730 109.478 108.800 -0.086 0.000 2.195 176 G HA2 -0.221 3.739 3.960 0.000 0.000 0.224 176 G HA3 -0.221 3.739 3.960 0.000 0.000 0.224 176 G C -0.230 174.632 174.900 -0.063 0.000 0.990 176 G CA 0.179 45.239 45.100 -0.066 0.000 0.639 176 G HN 0.741 nan 8.290 nan 0.000 0.514 177 Q N 0.061 119.816 119.800 -0.075 0.000 2.351 177 Q HA 0.762 5.102 4.340 0.000 0.000 0.273 177 Q C -1.024 174.947 176.000 -0.048 0.000 1.077 177 Q CA -0.788 54.979 55.803 -0.061 0.000 0.843 177 Q CB 1.751 30.450 28.738 -0.065 0.000 1.367 177 Q HN 0.058 nan 8.270 nan 0.000 0.449 178 T N 1.336 115.874 114.554 -0.027 0.000 2.795 178 T HA 0.469 4.819 4.350 0.000 0.000 0.282 178 T C -0.972 173.735 174.700 0.012 0.000 0.980 178 T CA -0.616 61.484 62.100 -0.000 0.000 1.012 178 T CB 1.240 70.104 68.868 -0.006 0.000 0.936 178 T HN 0.472 nan 8.240 nan 0.000 0.457 179 V N 3.365 123.311 119.914 0.053 0.000 2.760 179 V HA 0.592 4.713 4.120 0.000 0.000 0.309 179 V C -1.423 174.774 176.094 0.172 0.000 1.077 179 V CA -0.772 61.563 62.300 0.059 0.000 0.910 179 V CB 2.087 33.883 31.823 -0.045 0.000 1.008 179 V HN 0.814 nan 8.190 nan 0.000 0.424 180 E N 3.965 124.261 120.200 0.160 0.000 2.129 180 E HA 0.283 4.633 4.350 0.000 0.000 0.268 180 E C -0.205 176.568 176.600 0.288 0.000 0.900 180 E CA -0.414 56.115 56.400 0.216 0.000 0.755 180 E CB 1.677 31.459 29.700 0.137 0.000 1.117 180 E HN 0.895 nan 8.360 nan 0.000 0.410 181 T N 1.050 115.824 114.554 0.366 0.000 3.162 181 T HA 0.162 4.512 4.350 0.000 0.000 0.264 181 T C -0.202 174.799 174.700 0.503 0.000 0.959 181 T CA -0.619 61.705 62.100 0.374 0.000 1.118 181 T CB -0.229 68.887 68.868 0.414 0.000 0.979 181 T HN 0.448 nan 8.240 nan 0.000 0.679 182 W N 4.200 125.616 121.300 0.193 0.000 2.957 182 W HA 0.259 4.919 4.660 0.000 0.000 0.327 182 W C -1.397 175.288 176.519 0.275 0.000 1.039 182 W CA -1.002 56.490 57.345 0.245 0.000 1.257 182 W CB 1.230 30.782 29.460 0.154 0.000 1.238 182 W HN 0.389 nan 8.180 nan 0.000 0.406 183 N N 5.277 124.000 118.700 0.038 0.000 2.411 183 N HA 0.087 4.827 4.740 0.000 0.000 0.261 183 N C -0.274 175.290 175.510 0.089 0.000 1.248 183 N CA 0.734 53.793 53.050 0.014 0.000 0.885 183 N CB 0.509 38.919 38.487 -0.129 0.000 1.062 183 N HN 0.326 nan 8.380 nan 0.000 0.471 184 R N 0.663 121.242 120.500 0.132 0.000 2.698 184 R HA 0.199 4.539 4.340 0.000 0.000 0.275 184 R C -1.212 175.144 176.300 0.092 0.000 1.001 184 R CA -0.806 55.398 56.100 0.173 0.000 0.896 184 R CB 1.754 32.177 30.300 0.205 0.000 1.218 184 R HN 0.373 nan 8.270 nan 0.000 0.462 185 D N 1.364 121.873 120.400 0.181 0.000 2.500 185 D HA 0.203 4.843 4.640 0.000 0.000 0.219 185 D C 0.113 176.467 176.300 0.090 0.000 1.137 185 D CA 0.008 54.127 54.000 0.199 0.000 0.946 185 D CB 0.649 41.660 40.800 0.351 0.000 1.022 185 D HN 0.785 nan 8.370 nan 0.000 0.518 186 G N 1.546 110.263 108.800 -0.137 0.000 3.969 186 G HA2 0.505 4.465 3.960 0.000 0.000 0.291 186 G HA3 0.505 4.465 3.960 0.000 0.000 0.291 186 G C 0.766 175.628 174.900 -0.064 0.000 1.016 186 G CA 0.113 45.193 45.100 -0.034 0.000 0.819 186 G HN 0.784 nan 8.290 nan 0.000 0.493 187 G N 0.213 108.947 108.800 -0.110 0.000 2.642 187 G HA2 -0.009 3.951 3.960 0.000 0.000 0.231 187 G HA3 -0.009 3.951 3.960 0.000 0.000 0.231 187 G C 0.809 175.575 174.900 -0.224 0.000 1.338 187 G CA 0.687 45.784 45.100 -0.004 0.000 0.883 187 G HN 1.252 nan 8.290 nan 0.000 0.570 188 T N -3.947 110.442 114.554 -0.274 0.000 3.084 188 T HA 0.517 4.867 4.350 0.000 0.000 0.270 188 T C 1.487 175.884 174.700 -0.505 0.000 1.008 188 T CA 1.190 62.709 62.100 -0.969 0.000 0.900 188 T CB 0.381 68.724 68.868 -0.875 0.000 1.084 188 T HN 1.015 nan 8.240 nan 0.000 0.538 189 S N 1.796 117.440 115.700 -0.094 0.000 2.557 189 S HA 0.257 4.727 4.470 0.000 0.000 0.223 189 S C 0.913 175.557 174.600 0.073 0.000 0.969 189 S CA -0.087 58.136 58.200 0.039 0.000 0.927 189 S CB 0.291 63.550 63.200 0.099 0.000 0.806 189 S HN 0.879 nan 8.310 nan 0.000 0.489 190 T N -0.379 114.227 114.554 0.087 0.000 2.773 190 T HA 0.376 4.726 4.350 0.000 0.000 0.278 190 T C 0.732 175.510 174.700 0.131 0.000 1.011 190 T CA -0.662 61.497 62.100 0.097 0.000 1.014 190 T CB 1.186 70.101 68.868 0.078 0.000 1.293 190 T HN -0.019 nan 8.240 nan 0.000 0.554 191 E N 0.066 120.321 120.200 0.092 0.000 2.478 191 E HA -0.038 4.312 4.350 0.000 0.000 0.198 191 E C 0.228 176.876 176.600 0.081 0.000 1.046 191 E CA 0.374 56.820 56.400 0.077 0.000 0.870 191 E CB -0.262 29.468 29.700 0.049 0.000 0.818 191 E HN 0.736 nan 8.360 nan 0.000 0.527 192 Q N 0.394 120.248 119.800 0.090 0.000 2.382 192 Q HA 0.554 4.894 4.340 0.000 0.000 0.229 192 Q C -0.459 175.572 176.000 0.052 0.000 1.006 192 Q CA -0.008 55.839 55.803 0.072 0.000 0.916 192 Q CB 1.282 30.053 28.738 0.055 0.000 1.235 192 Q HN 0.252 nan 8.270 nan 0.000 0.512 193 A N 0.458 123.278 122.820 0.001 0.000 2.572 193 A HA 0.484 4.804 4.320 0.000 0.000 0.295 193 A C -1.213 176.334 177.584 -0.061 0.000 1.072 193 A CA -0.673 51.340 52.037 -0.040 0.000 0.691 193 A CB 0.572 19.538 19.000 -0.057 0.000 1.291 193 A HN 0.773 nan 8.150 nan 0.000 0.404 194 Y N 0.343 120.673 120.300 0.050 0.000 2.503 194 Y HA 0.204 4.754 4.550 0.000 0.000 0.278 194 Y C 0.610 176.476 175.900 -0.057 0.000 1.111 194 Y CA 0.737 58.829 58.100 -0.014 0.000 1.270 194 Y CB 0.371 38.776 38.460 -0.093 0.000 1.063 194 Y HN 0.478 nan 8.280 nan 0.000 0.548 195 K N 1.773 122.211 120.400 0.062 0.000 2.530 195 K HA 0.248 4.568 4.320 0.000 0.000 0.230 195 K C -1.074 175.476 176.600 -0.084 0.000 1.002 195 K CA -0.305 55.937 56.287 -0.075 0.000 1.014 195 K CB 0.659 32.994 32.500 -0.275 0.000 1.286 195 K HN 0.070 nan 8.250 nan 0.000 0.480 196 N N 3.601 122.309 118.700 0.012 0.000 2.456 196 N HA 0.421 5.161 4.740 0.000 0.000 0.288 196 N C -0.651 174.916 175.510 0.096 0.000 1.059 196 N CA -0.335 52.748 53.050 0.057 0.000 0.946 196 N CB 1.657 40.232 38.487 0.147 0.000 1.150 196 N HN 0.325 nan 8.380 nan 0.000 0.479 197 I N 2.924 123.545 120.570 0.086 0.000 2.534 197 I HA 0.211 4.381 4.170 0.000 0.000 0.286 197 I C -2.257 173.950 176.117 0.149 0.000 1.094 197 I CA -1.837 59.540 61.300 0.127 0.000 1.055 197 I CB 2.234 40.312 38.000 0.130 0.000 1.225 197 I HN 0.207 nan 8.210 nan 0.000 0.435 198 P HA 0.115 nan 4.420 nan 0.000 0.228 198 P C -0.620 176.877 177.300 0.329 0.000 1.748 198 P CA 0.210 63.538 63.100 0.380 0.000 0.909 198 P CB -0.556 31.477 31.700 0.556 0.000 1.882 199 F N 2.888 122.821 119.950 -0.029 0.000 2.529 199 F HA 0.533 5.060 4.527 0.000 0.000 0.320 199 F C -1.300 174.400 175.800 -0.166 0.000 1.118 199 F CA -1.410 56.504 58.000 -0.144 0.000 0.915 199 F CB 1.481 40.266 39.000 -0.359 0.000 1.161 199 F HN -0.028 nan 8.300 nan 0.000 0.445 200 Y N 5.401 124.987 120.300 -1.190 0.000 2.605 200 Y HA 0.841 5.391 4.550 0.000 0.000 0.343 200 Y C -1.259 173.927 175.900 -1.190 0.000 1.036 200 Y CA -1.769 55.725 58.100 -1.011 0.000 1.065 200 Y CB 1.661 39.779 38.460 -0.570 0.000 1.288 200 Y HN 0.805 nan 8.280 nan 0.000 0.481 201 M N 1.384 120.675 119.600 -0.515 0.000 2.618 201 M HA 0.827 5.307 4.480 0.000 0.000 0.281 201 M C -1.363 174.850 176.300 -0.145 0.000 1.267 201 M CA -0.626 54.413 55.300 -0.434 0.000 0.845 201 M CB 2.584 34.974 32.600 -0.349 0.000 1.732 201 M HN 0.918 nan 8.290 nan 0.000 0.461 202 T N -2.073 112.297 114.554 -0.306 0.000 2.910 202 T HA 0.461 4.811 4.350 0.000 0.000 0.287 202 T C 0.156 174.777 174.700 -0.131 0.000 1.050 202 T CA -0.678 61.324 62.100 -0.163 0.000 1.011 202 T CB 1.186 69.849 68.868 -0.341 0.000 1.195 202 T HN 0.844 nan 8.240 nan 0.000 0.540 203 N N -0.057 118.640 118.700 -0.005 0.000 2.441 203 N HA 0.056 4.796 4.740 0.000 0.000 0.225 203 N C 0.645 176.126 175.510 -0.049 0.000 1.208 203 N CA -0.332 52.694 53.050 -0.040 0.000 0.847 203 N CB -0.207 38.291 38.487 0.018 0.000 1.121 203 N HN 0.748 nan 8.380 nan 0.000 0.479 204 R N -0.536 119.912 120.500 -0.088 0.000 2.509 204 R HA 0.214 4.554 4.340 0.000 0.000 0.297 204 R C 0.357 176.679 176.300 0.036 0.000 0.951 204 R CA 0.511 56.613 56.100 0.003 0.000 1.103 204 R CB 0.106 30.467 30.300 0.102 0.000 1.283 204 R HN 0.242 nan 8.270 nan 0.000 0.534 205 G N 0.718 109.482 108.800 -0.059 0.000 2.132 205 G HA2 -0.289 3.671 3.960 0.000 0.000 0.228 205 G HA3 -0.289 3.671 3.960 0.000 0.000 0.228 205 G C -0.591 174.355 174.900 0.076 0.000 1.000 205 G CA 0.502 45.601 45.100 -0.000 0.000 0.693 205 G HN 0.439 nan 8.290 nan 0.000 0.515 206 Y N -2.308 117.978 120.300 -0.024 0.000 2.638 206 Y HA 0.802 5.352 4.550 0.000 0.000 0.335 206 Y C 0.192 176.036 175.900 -0.093 0.000 1.155 206 Y CA -1.245 56.831 58.100 -0.040 0.000 1.046 206 Y CB 0.829 39.263 38.460 -0.044 0.000 1.303 206 Y HN 0.833 nan 8.280 nan 0.000 0.460 207 G N -0.009 108.840 108.800 0.083 0.000 2.694 207 G HA2 0.648 4.608 3.960 0.000 0.000 0.290 207 G HA3 0.648 4.608 3.960 0.000 0.000 0.290 207 G C -1.913 172.913 174.900 -0.123 0.000 1.386 207 G CA -0.645 44.328 45.100 -0.212 0.000 0.872 207 G HN 1.601 nan 8.290 nan 0.000 0.475 208 V N -0.753 118.836 119.914 -0.542 0.000 2.733 208 V HA 0.807 4.927 4.120 0.000 0.000 0.306 208 V C -1.638 174.429 176.094 -0.044 0.000 1.084 208 V CA -1.003 61.141 62.300 -0.260 0.000 0.905 208 V CB 1.499 33.069 31.823 -0.422 0.000 1.010 208 V HN 0.982 nan 8.190 nan 0.000 0.424 209 L N 6.721 128.147 121.223 0.340 0.000 2.287 209 L HA 0.737 5.077 4.340 0.000 0.000 0.287 209 L C -0.510 176.609 176.870 0.415 0.000 1.022 209 L CA -0.100 55.016 54.840 0.461 0.000 0.814 209 L CB 1.693 44.097 42.059 0.575 0.000 1.217 209 L HN 0.647 nan 8.230 nan 0.000 0.420 210 V N 5.071 125.168 119.914 0.305 0.000 2.389 210 V HA 0.204 4.324 4.120 0.000 0.000 0.264 210 V C 0.626 176.959 176.094 0.397 0.000 1.049 210 V CA -0.470 61.992 62.300 0.270 0.000 0.932 210 V CB 0.708 32.573 31.823 0.071 0.000 1.011 210 V HN 0.803 nan 8.190 nan 0.000 0.475 211 N N 4.210 123.101 118.700 0.318 0.000 3.193 211 N HA 0.062 4.802 4.740 0.000 0.000 0.312 211 N C -0.482 174.894 175.510 -0.224 0.000 1.261 211 N CA 0.091 53.293 53.050 0.253 0.000 1.208 211 N CB -0.650 38.085 38.487 0.414 0.000 1.471 211 N HN 0.795 nan 8.380 nan 0.000 0.548 212 H N -0.810 118.397 119.070 0.228 0.000 2.924 212 H HA 0.269 4.825 4.556 0.000 0.000 0.333 212 H C -1.857 173.417 175.328 -0.089 0.000 0.979 212 H CA -1.505 54.557 56.048 0.024 0.000 1.326 212 H CB 2.039 31.846 29.762 0.075 0.000 1.600 212 H HN 0.165 nan 8.280 nan 0.000 0.520 213 P HA -0.144 nan 4.420 nan 0.000 0.223 213 P C 0.449 177.846 177.300 0.162 0.000 1.151 213 P CA 0.722 63.667 63.100 -0.258 0.000 0.787 213 P CB 0.390 31.820 31.700 -0.450 0.000 0.788 214 Q N -0.275 119.645 119.800 0.200 0.000 2.414 214 Q HA 0.041 4.381 4.340 0.000 0.000 0.206 214 Q C 0.059 176.299 176.000 0.400 0.000 1.058 214 Q CA -0.436 55.566 55.803 0.331 0.000 1.025 214 Q CB -0.468 28.406 28.738 0.227 0.000 1.196 214 Q HN -0.034 nan 8.270 nan 0.000 0.586 215 C N 1.550 121.118 119.300 0.447 0.000 2.648 215 C HA 0.290 4.750 4.460 0.000 0.000 0.406 215 C C 0.054 175.164 174.990 0.200 0.000 1.406 215 C CA -0.324 58.909 59.018 0.359 0.000 1.610 215 C CB -1.335 26.436 27.740 0.051 0.000 2.451 215 C HN 0.455 nan 8.230 nan 0.000 0.608 216 V N 7.043 127.110 119.914 0.254 0.000 2.427 216 V HA 0.440 4.560 4.120 0.000 0.000 0.286 216 V C 0.355 176.518 176.094 0.115 0.000 1.034 216 V CA -0.043 62.334 62.300 0.128 0.000 0.893 216 V CB 1.874 33.786 31.823 0.147 0.000 0.982 216 V HN 0.917 nan 8.190 nan 0.000 0.452 217 S N 5.328 121.007 115.700 -0.035 0.000 2.461 217 S HA 0.647 5.117 4.470 0.000 0.000 0.322 217 S C -0.947 173.643 174.600 -0.018 0.000 1.063 217 S CA -0.466 57.741 58.200 0.012 0.000 1.120 217 S CB -0.165 62.986 63.200 -0.080 0.000 0.968 217 S HN 0.361 nan 8.310 nan 0.000 0.467 218 F N 2.811 122.792 119.950 0.051 0.000 2.421 218 F HA 0.492 5.019 4.527 0.000 0.000 0.337 218 F C 0.803 176.592 175.800 -0.018 0.000 1.105 218 F CA -0.799 57.231 58.000 0.049 0.000 1.049 218 F CB 1.276 40.286 39.000 0.017 0.000 1.139 218 F HN 0.393 nan 8.300 nan 0.000 0.479 219 E N 3.035 123.326 120.200 0.152 0.000 2.183 219 E HA 0.249 4.599 4.350 0.000 0.000 0.250 219 E C -0.985 175.629 176.600 0.024 0.000 0.901 219 E CA -0.370 56.054 56.400 0.040 0.000 0.741 219 E CB 1.728 31.416 29.700 -0.020 0.000 1.182 219 E HN 0.270 nan 8.360 nan 0.000 0.425 220 V N 1.728 121.632 119.914 -0.017 0.000 2.313 220 V HA 0.250 4.370 4.120 0.000 0.000 0.252 220 V C 1.421 177.458 176.094 -0.095 0.000 1.112 220 V CA 0.308 62.549 62.300 -0.099 0.000 0.984 220 V CB 0.171 31.880 31.823 -0.190 0.000 1.157 220 V HN 0.910 nan 8.190 nan 0.000 0.493 221 G N 4.481 113.235 108.800 -0.076 0.000 2.168 221 G HA2 -0.319 3.641 3.960 0.000 0.000 0.257 221 G HA3 -0.319 3.641 3.960 0.000 0.000 0.257 221 G C 0.910 175.773 174.900 -0.061 0.000 0.997 221 G CA 0.796 45.855 45.100 -0.068 0.000 0.708 221 G HN 0.964 nan 8.290 nan 0.000 0.520 222 S N -1.693 113.973 115.700 -0.057 0.000 2.503 222 S HA 0.325 4.795 4.470 0.000 0.000 0.215 222 S C 1.472 176.036 174.600 -0.060 0.000 1.003 222 S CA 1.012 59.180 58.200 -0.054 0.000 0.910 222 S CB 0.599 63.770 63.200 -0.047 0.000 0.790 222 S HN 0.587 nan 8.310 nan 0.000 0.514 223 E N 0.901 121.062 120.200 -0.065 0.000 2.176 223 E HA 0.176 4.526 4.350 0.000 0.000 0.194 223 E C -0.443 176.108 176.600 -0.081 0.000 0.947 223 E CA 0.152 56.505 56.400 -0.080 0.000 0.960 223 E CB 0.474 30.117 29.700 -0.094 0.000 1.002 223 E HN 0.063 nan 8.360 nan 0.000 0.479 224 K N 2.219 122.575 120.400 -0.074 0.000 2.263 224 K HA 0.118 4.438 4.320 0.000 0.000 0.272 224 K C 1.090 177.654 176.600 -0.060 0.000 1.033 224 K CA -0.018 56.225 56.287 -0.073 0.000 0.884 224 K CB 1.733 34.195 32.500 -0.063 0.000 1.107 224 K HN 0.175 nan 8.250 nan 0.000 0.460 225 V N 0.704 120.581 119.914 -0.062 0.000 2.392 225 V HA -0.211 3.909 4.120 0.000 0.000 0.249 225 V C 1.223 177.291 176.094 -0.043 0.000 1.059 225 V CA 2.072 64.340 62.300 -0.053 0.000 1.051 225 V CB -0.687 31.106 31.823 -0.051 0.000 0.658 225 V HN 0.638 nan 8.190 nan 0.000 0.455 226 S N -0.638 115.041 115.700 -0.036 0.000 2.618 226 S HA 0.459 4.929 4.470 0.000 0.000 0.242 226 S C 0.109 174.704 174.600 -0.008 0.000 0.972 226 S CA -0.600 57.588 58.200 -0.020 0.000 1.004 226 S CB -0.512 62.679 63.200 -0.015 0.000 0.778 226 S HN 0.796 nan 8.310 nan 0.000 0.459 227 K N 0.034 120.424 120.400 -0.017 0.000 2.556 227 K HA 0.536 4.856 4.320 0.000 0.000 0.274 227 K C -1.734 174.857 176.600 -0.014 0.000 0.966 227 K CA -0.870 55.417 56.287 -0.000 0.000 0.865 227 K CB 2.341 34.839 32.500 -0.003 0.000 1.444 227 K HN -0.020 nan 8.250 nan 0.000 0.433 228 V N 2.328 122.251 119.914 0.015 0.000 2.328 228 V HA 0.213 4.333 4.120 0.000 0.000 0.278 228 V C -0.352 175.795 176.094 0.087 0.000 1.021 228 V CA -0.527 61.783 62.300 0.016 0.000 0.838 228 V CB 1.073 32.849 31.823 -0.079 0.000 0.999 228 V HN 0.635 nan 8.190 nan 0.000 0.447 229 Q N 5.554 125.387 119.800 0.054 0.000 2.271 229 Q HA 0.655 4.995 4.340 0.000 0.000 0.258 229 Q C -1.505 174.515 176.000 0.034 0.000 0.936 229 Q CA -0.553 55.227 55.803 -0.039 0.000 0.909 229 Q CB 1.485 30.201 28.738 -0.037 0.000 1.253 229 Q HN 0.704 nan 8.270 nan 0.000 0.440 230 F N 0.578 120.455 119.950 -0.123 0.000 2.565 230 F HA 0.756 5.283 4.527 0.000 0.000 0.313 230 F C -0.890 174.797 175.800 -0.188 0.000 1.091 230 F CA -0.951 56.838 58.000 -0.352 0.000 0.915 230 F CB 1.778 40.340 39.000 -0.730 0.000 1.208 230 F HN 0.444 nan 8.300 nan 0.000 0.453 231 S N 1.783 117.450 115.700 -0.054 0.000 2.546 231 S HA 0.848 5.318 4.470 0.000 0.000 0.274 231 S C -1.764 172.803 174.600 -0.055 0.000 1.121 231 S CA -0.819 57.361 58.200 -0.034 0.000 0.887 231 S CB 1.731 64.862 63.200 -0.115 0.000 1.094 231 S HN 1.233 nan 8.310 nan 0.000 0.474 232 V N 0.956 120.856 119.914 -0.023 0.000 2.925 232 V HA 0.562 4.682 4.120 0.000 0.000 0.311 232 V C -0.907 175.232 176.094 0.076 0.000 1.104 232 V CA -0.754 61.511 62.300 -0.058 0.000 0.954 232 V CB 1.914 33.536 31.823 -0.335 0.000 1.022 232 V HN 1.118 nan 8.190 nan 0.000 0.427 233 E N 3.716 123.992 120.200 0.127 0.000 1.932 233 E HA 0.529 4.879 4.350 0.000 0.000 0.275 233 E C -0.586 175.951 176.600 -0.105 0.000 1.159 233 E CA 0.190 56.595 56.400 0.010 0.000 0.905 233 E CB 0.485 30.162 29.700 -0.038 0.000 1.059 233 E HN 0.731 nan 8.360 nan 0.000 0.400 234 S N 2.924 118.552 115.700 -0.120 0.000 2.611 234 S HA 0.159 4.629 4.470 0.000 0.000 0.268 234 S C -0.196 174.431 174.600 0.045 0.000 1.156 234 S CA -0.664 57.474 58.200 -0.103 0.000 0.817 234 S CB 1.421 64.409 63.200 -0.354 0.000 1.122 234 S HN 0.498 nan 8.310 nan 0.000 0.466 235 E N 0.480 120.784 120.200 0.173 0.000 2.479 235 E HA 0.216 4.566 4.350 0.000 0.000 0.193 235 E C -0.671 176.157 176.600 0.380 0.000 1.049 235 E CA 0.427 57.025 56.400 0.331 0.000 0.870 235 E CB 0.221 30.137 29.700 0.359 0.000 0.944 235 E HN 0.563 nan 8.360 nan 0.000 0.492 236 Y N -1.839 118.587 120.300 0.210 0.000 2.581 236 Y HA 0.589 5.139 4.550 0.000 0.000 0.337 236 Y C -1.575 174.474 175.900 0.249 0.000 1.108 236 Y CA -1.729 56.499 58.100 0.214 0.000 1.033 236 Y CB 0.877 39.444 38.460 0.178 0.000 1.318 236 Y HN -0.211 nan 8.280 nan 0.000 0.459 237 L N 2.924 124.318 121.223 0.284 0.000 2.381 237 L HA 0.637 4.977 4.340 0.000 0.000 0.274 237 L C -1.251 175.914 176.870 0.492 0.000 0.988 237 L CA -0.549 54.503 54.840 0.354 0.000 0.824 237 L CB 1.912 44.140 42.059 0.282 0.000 1.263 237 L HN 0.900 nan 8.230 nan 0.000 0.410 238 E N 4.183 124.711 120.200 0.546 0.000 2.224 238 E HA 0.534 4.884 4.350 0.000 0.000 0.265 238 E C -1.969 174.741 176.600 0.182 0.000 0.878 238 E CA -0.628 55.902 56.400 0.217 0.000 0.759 238 E CB 1.319 31.119 29.700 0.167 0.000 1.164 238 E HN 0.582 nan 8.360 nan 0.000 0.414 239 Y N 1.537 121.807 120.300 -0.050 0.000 2.581 239 Y HA 0.686 5.236 4.550 0.000 0.000 0.345 239 Y C -1.705 174.029 175.900 -0.277 0.000 1.036 239 Y CA -1.498 56.586 58.100 -0.026 0.000 1.042 239 Y CB 1.020 39.564 38.460 0.140 0.000 1.289 239 Y HN 0.245 nan 8.280 nan 0.000 0.471 240 F N 1.491 121.567 119.950 0.210 0.000 2.467 240 F HA 0.628 5.155 4.527 0.000 0.000 0.336 240 F C -0.596 175.241 175.800 0.063 0.000 1.123 240 F CA -1.275 56.751 58.000 0.045 0.000 0.964 240 F CB 2.105 41.144 39.000 0.064 0.000 1.136 240 F HN 0.335 nan 8.300 nan 0.000 0.447 241 V N 5.115 125.089 119.914 0.101 0.000 2.407 241 V HA 0.373 4.494 4.120 0.000 0.000 0.278 241 V C 0.031 176.150 176.094 0.041 0.000 1.037 241 V CA -0.565 61.714 62.300 -0.035 0.000 0.900 241 V CB 1.303 32.898 31.823 -0.380 0.000 0.983 241 V HN 0.526 nan 8.190 nan 0.000 0.459 242 I N 3.808 124.434 120.570 0.093 0.000 2.389 242 I HA 0.358 4.528 4.170 0.000 0.000 0.288 242 I C -0.221 175.959 176.117 0.104 0.000 0.999 242 I CA -0.443 60.911 61.300 0.090 0.000 1.129 242 I CB 1.711 39.805 38.000 0.157 0.000 1.288 242 I HN 0.542 nan 8.210 nan 0.000 0.444 243 D N 4.158 124.592 120.400 0.058 0.000 2.313 243 D HA 0.402 5.042 4.640 0.000 0.000 0.247 243 D C 0.696 177.027 176.300 0.052 0.000 1.094 243 D CA 0.123 54.163 54.000 0.067 0.000 0.925 243 D CB 1.665 42.483 40.800 0.031 0.000 1.188 243 D HN 0.578 nan 8.370 nan 0.000 0.430 244 G N 1.308 110.143 108.800 0.059 0.000 2.593 244 G HA2 0.100 4.060 3.960 0.000 0.000 0.212 244 G HA3 0.100 4.060 3.960 0.000 0.000 0.212 244 G C -1.304 173.599 174.900 0.005 0.000 1.934 244 G CA -0.093 45.022 45.100 0.025 0.000 0.861 244 G HN 0.624 nan 8.290 nan 0.000 0.629 245 P HA 0.106 nan 4.420 nan 0.000 0.242 245 P C 0.225 177.523 177.300 -0.003 0.000 1.197 245 P CA 0.926 64.035 63.100 0.014 0.000 0.765 245 P CB -0.088 31.618 31.700 0.010 0.000 0.936 246 T N -4.997 109.544 114.554 -0.021 0.000 2.932 246 T HA 0.448 4.798 4.350 0.000 0.000 0.289 246 T C -2.287 172.380 174.700 -0.055 0.000 1.039 246 T CA -2.356 59.718 62.100 -0.044 0.000 1.024 246 T CB 2.059 70.894 68.868 -0.055 0.000 1.090 246 T HN -0.368 nan 8.240 nan 0.000 0.496 247 P HA -0.086 nan 4.420 nan 0.000 0.216 247 P C 1.248 178.504 177.300 -0.073 0.000 1.150 247 P CA 1.284 64.326 63.100 -0.096 0.000 0.843 247 P CB 0.083 31.693 31.700 -0.150 0.000 0.787 248 K N -0.891 119.462 120.400 -0.079 0.000 2.155 248 K HA 0.005 4.325 4.320 0.000 0.000 0.203 248 K C 2.098 178.663 176.600 -0.058 0.000 1.052 248 K CA 1.253 57.495 56.287 -0.075 0.000 0.948 248 K CB -0.479 31.970 32.500 -0.085 0.000 0.728 248 K HN 0.061 nan 8.250 nan 0.000 0.448 249 A N 1.133 123.923 122.820 -0.049 0.000 1.898 249 A HA -0.088 4.232 4.320 0.000 0.000 0.216 249 A C 2.365 179.937 177.584 -0.019 0.000 1.181 249 A CA 1.105 53.120 52.037 -0.037 0.000 0.620 249 A CB -0.540 18.441 19.000 -0.031 0.000 0.819 249 A HN 0.038 nan 8.150 nan 0.000 0.442 250 V N 0.201 120.115 119.914 -0.001 0.000 2.261 250 V HA -0.272 3.848 4.120 0.000 0.000 0.246 250 V C 2.567 178.692 176.094 0.051 0.000 1.047 250 V CA 2.040 64.367 62.300 0.045 0.000 1.015 250 V CB -0.835 31.030 31.823 0.069 0.000 0.642 250 V HN 0.569 nan 8.190 nan 0.000 0.446 251 L N 0.079 121.312 121.223 0.017 0.000 2.083 251 L HA -0.206 4.134 4.340 0.000 0.000 0.209 251 L C 2.459 179.313 176.870 -0.027 0.000 1.083 251 L CA 1.852 56.689 54.840 -0.005 0.000 0.752 251 L CB -0.662 41.372 42.059 -0.043 0.000 0.899 251 L HN 0.418 nan 8.230 nan 0.000 0.433 252 D N 0.284 120.656 120.400 -0.047 0.000 2.097 252 D HA -0.187 4.453 4.640 0.000 0.000 0.195 252 D C 2.316 178.572 176.300 -0.073 0.000 0.989 252 D CA 1.468 55.425 54.000 -0.071 0.000 0.827 252 D CB 0.105 40.865 40.800 -0.066 0.000 0.966 252 D HN 0.140 nan 8.370 nan 0.000 0.456 253 R N -1.106 119.365 120.500 -0.048 0.000 2.066 253 R HA -0.153 4.187 4.340 0.000 0.000 0.232 253 R C 2.428 178.691 176.300 -0.062 0.000 1.131 253 R CA 1.165 57.228 56.100 -0.061 0.000 0.955 253 R CB -0.691 29.578 30.300 -0.051 0.000 0.851 253 R HN 0.317 nan 8.270 nan 0.000 0.432 254 Y N 2.148 122.348 120.300 -0.166 0.000 2.114 254 Y HA -0.294 4.256 4.550 0.000 0.000 0.282 254 Y C 2.560 178.307 175.900 -0.254 0.000 1.165 254 Y CA 2.213 60.161 58.100 -0.253 0.000 1.148 254 Y CB -0.579 37.555 38.460 -0.545 0.000 0.972 254 Y HN 0.147 nan 8.280 nan 0.000 0.504 255 T N -1.593 112.743 114.554 -0.363 0.000 2.904 255 T HA -0.128 4.222 4.350 0.000 0.000 0.267 255 T C 2.060 176.548 174.700 -0.352 0.000 1.059 255 T CA 1.141 62.970 62.100 -0.453 0.000 1.137 255 T CB -0.487 68.205 68.868 -0.294 0.000 0.879 255 T HN 0.429 nan 8.240 nan 0.000 0.467 256 R N -0.607 119.759 120.500 -0.224 0.000 2.096 256 R HA -0.047 4.293 4.340 0.000 0.000 0.235 256 R C 2.159 178.382 176.300 -0.130 0.000 1.127 256 R CA 1.217 57.223 56.100 -0.157 0.000 0.968 256 R CB -0.471 29.766 30.300 -0.105 0.000 0.861 256 R HN 0.417 nan 8.270 nan 0.000 0.440 257 F N 1.231 120.961 119.950 -0.366 0.000 2.084 257 F HA -0.118 4.409 4.527 0.000 0.000 0.296 257 F C 2.265 177.786 175.800 -0.465 0.000 1.111 257 F CA 2.103 59.865 58.000 -0.396 0.000 1.224 257 F CB -0.675 38.064 39.000 -0.435 0.000 0.991 257 F HN 0.127 nan 8.300 nan 0.000 0.471 258 T N -2.491 111.638 114.554 -0.709 0.000 3.037 258 T HA 0.507 4.857 4.350 0.000 0.000 0.252 258 T C 0.856 175.196 174.700 -0.600 0.000 1.073 258 T CA 0.405 62.014 62.100 -0.819 0.000 1.091 258 T CB -0.036 68.193 68.868 -1.066 0.000 0.935 258 T HN 0.573 nan 8.240 nan 0.000 0.488 259 G N 1.046 109.528 108.800 -0.530 0.000 2.249 259 G HA2 0.321 4.281 3.960 0.000 0.000 0.252 259 G HA3 0.321 4.281 3.960 0.000 0.000 0.252 259 G C -1.499 173.145 174.900 -0.427 0.000 1.697 259 G CA -1.260 43.576 45.100 -0.440 0.000 0.916 259 G HN 0.243 nan 8.290 nan 0.000 0.725 260 R N 1.548 121.848 120.500 -0.333 0.000 2.308 260 R HA 0.442 4.782 4.340 0.000 0.000 0.305 260 R C -2.510 173.613 176.300 -0.294 0.000 1.053 260 R CA -2.039 53.893 56.100 -0.279 0.000 0.957 260 R CB 0.907 31.094 30.300 -0.188 0.000 1.022 260 R HN 0.282 nan 8.270 nan 0.000 0.461 261 P HA 0.002 nan 4.420 nan 0.000 0.267 261 P C -0.426 176.843 177.300 -0.050 0.000 1.209 261 P CA 0.267 63.245 63.100 -0.202 0.000 0.763 261 P CB 0.595 32.175 31.700 -0.199 0.000 0.816 262 A N 3.888 126.664 122.820 -0.074 0.000 2.386 262 A HA 0.243 4.563 4.320 0.000 0.000 0.246 262 A C -0.161 177.543 177.584 0.201 0.000 1.089 262 A CA -0.102 51.961 52.037 0.043 0.000 0.790 262 A CB -0.211 18.814 19.000 0.042 0.000 1.042 262 A HN 0.569 nan 8.150 nan 0.000 0.497 263 L N 2.603 123.926 121.223 0.165 0.000 2.261 263 L HA 0.505 4.845 4.340 0.000 0.000 0.289 263 L C -2.272 174.647 176.870 0.083 0.000 1.059 263 L CA -1.960 52.952 54.840 0.120 0.000 0.816 263 L CB 0.567 42.669 42.059 0.072 0.000 1.191 263 L HN 0.363 nan 8.230 nan 0.000 0.431 264 P HA 0.275 nan 4.420 nan 0.000 0.272 264 P C -2.681 174.699 177.300 0.134 0.000 1.223 264 P CA -1.228 61.832 63.100 -0.068 0.000 0.784 264 P CB -0.241 31.231 31.700 -0.380 0.000 0.923 265 P HA -0.029 nan 4.420 nan 0.000 0.269 265 P C 0.351 177.623 177.300 -0.046 0.000 1.209 265 P CA 0.120 63.133 63.100 -0.144 0.000 0.776 265 P CB 0.638 32.012 31.700 -0.543 0.000 0.876 266 A N 4.683 127.512 122.820 0.016 0.000 1.948 266 A HA -0.174 4.146 4.320 0.000 0.000 0.220 266 A C 2.063 179.773 177.584 0.210 0.000 1.177 266 A CA 1.650 53.700 52.037 0.023 0.000 0.636 266 A CB -1.750 17.131 19.000 -0.199 0.000 0.815 266 A HN 0.844 nan 8.150 nan 0.000 0.449 267 W N 0.762 122.137 121.300 0.125 0.000 2.364 267 W HA -0.174 4.486 4.660 0.000 0.000 0.281 267 W C 1.913 178.494 176.519 0.103 0.000 1.219 267 W CA 1.366 58.750 57.345 0.064 0.000 1.220 267 W CB -1.381 28.076 29.460 -0.006 0.000 1.127 267 W HN 0.532 nan 8.180 nan 0.000 0.556 268 S N 0.709 116.303 115.700 -0.177 0.000 2.469 268 S HA -0.201 4.269 4.470 0.000 0.000 0.238 268 S C 1.427 176.124 174.600 0.162 0.000 0.998 268 S CA 0.839 59.029 58.200 -0.017 0.000 0.957 268 S CB -1.374 61.625 63.200 -0.335 0.000 0.764 268 S HN 0.210 nan 8.310 nan 0.000 0.514 269 F N 2.514 122.477 119.950 0.023 0.000 2.802 269 F HA 0.336 4.863 4.527 0.000 0.000 0.300 269 F C 1.995 177.806 175.800 0.018 0.000 1.168 269 F CA -0.117 57.811 58.000 -0.121 0.000 1.433 269 F CB -0.638 38.303 39.000 -0.098 0.000 1.115 269 F HN 0.330 nan 8.300 nan 0.000 0.582 270 G N 0.208 109.124 108.800 0.194 0.000 2.525 270 G HA2 0.251 4.211 3.960 0.000 0.000 0.276 270 G HA3 0.251 4.211 3.960 0.000 0.000 0.276 270 G C -0.955 174.173 174.900 0.379 0.000 1.388 270 G CA -0.524 44.592 45.100 0.025 0.000 1.050 270 G HN 0.026 nan 8.290 nan 0.000 0.520 271 L N -0.759 120.841 121.223 0.629 0.000 2.292 271 L HA 0.602 4.942 4.340 0.000 0.000 0.284 271 L C -1.238 175.849 176.870 0.362 0.000 1.065 271 L CA -0.912 54.191 54.840 0.438 0.000 0.806 271 L CB 0.852 43.097 42.059 0.309 0.000 1.175 271 L HN 0.441 nan 8.230 nan 0.000 0.431 272 W N 6.102 127.425 121.300 0.037 0.000 2.551 272 W HA 0.616 5.276 4.660 0.000 0.000 0.330 272 W C -0.660 175.803 176.519 -0.093 0.000 1.063 272 W CA -0.562 56.747 57.345 -0.059 0.000 1.222 272 W CB 1.310 30.639 29.460 -0.219 0.000 1.349 272 W HN 0.277 nan 8.180 nan 0.000 0.536 273 L N 2.536 123.817 121.223 0.097 0.000 2.388 273 L HA 0.715 5.055 4.340 0.000 0.000 0.264 273 L C -0.691 176.090 176.870 -0.149 0.000 0.998 273 L CA -0.305 54.554 54.840 0.031 0.000 0.817 273 L CB 2.087 44.217 42.059 0.118 0.000 1.338 273 L HN 0.428 nan 8.230 nan 0.000 0.414 274 T N 0.657 115.142 114.554 -0.114 0.000 2.924 274 T HA 0.324 4.674 4.350 0.000 0.000 0.291 274 T C 1.037 175.691 174.700 -0.076 0.000 1.045 274 T CA 0.068 62.059 62.100 -0.181 0.000 1.015 274 T CB 1.731 70.740 68.868 0.237 0.000 1.103 274 T HN 0.736 nan 8.240 nan 0.000 0.496 275 T N -0.946 113.495 114.554 -0.189 0.000 3.118 275 T HA 0.237 4.587 4.350 0.000 0.000 0.260 275 T C 0.694 175.415 174.700 0.035 0.000 1.139 275 T CA 0.164 62.224 62.100 -0.067 0.000 1.085 275 T CB -0.259 68.112 68.868 -0.828 0.000 0.934 275 T HN 0.643 nan 8.240 nan 0.000 0.518 276 S N -0.407 115.331 115.700 0.063 0.000 3.860 276 S HA -0.139 4.331 4.470 0.000 0.000 0.712 276 S C -0.050 174.712 174.600 0.270 0.000 1.287 276 S CA -0.062 58.158 58.200 0.033 0.000 1.330 276 S CB -1.364 61.819 63.200 -0.029 0.000 0.442 276 S HN 0.349 nan 8.310 nan 0.000 0.798 277 F N 2.303 122.314 119.950 0.102 0.000 1.992 277 F HA 0.050 4.577 4.527 0.000 0.000 0.292 277 F C 2.619 178.710 175.800 0.485 0.000 1.192 277 F CA 2.396 60.608 58.000 0.353 0.000 1.157 277 F CB -1.250 37.966 39.000 0.362 0.000 0.981 277 F HN 0.815 nan 8.300 nan 0.000 0.483 278 T N -1.277 113.276 114.554 -0.001 0.000 3.186 278 T HA 0.216 4.566 4.350 0.000 0.000 0.257 278 T C 0.538 175.124 174.700 -0.191 0.000 1.029 278 T CA 0.200 62.186 62.100 -0.189 0.000 0.916 278 T CB -1.547 67.086 68.868 -0.392 0.000 1.041 278 T HN 0.385 nan 8.240 nan 0.000 0.562 279 T N 0.371 114.918 114.554 -0.011 0.000 2.754 279 T HA 0.390 4.740 4.350 0.000 0.000 0.286 279 T C 0.071 174.827 174.700 0.094 0.000 0.997 279 T CA -0.783 61.265 62.100 -0.088 0.000 0.982 279 T CB 0.252 68.929 68.868 -0.318 0.000 1.027 279 T HN 0.297 nan 8.240 nan 0.000 0.529 280 N N 0.620 119.386 118.700 0.110 0.000 2.513 280 N HA 0.571 5.311 4.740 0.000 0.000 0.274 280 N C -1.240 174.523 175.510 0.422 0.000 1.189 280 N CA -0.450 52.641 53.050 0.069 0.000 0.975 280 N CB 0.491 38.990 38.487 0.019 0.000 1.157 280 N HN 0.849 nan 8.380 nan 0.000 0.465 281 Y N -2.073 118.298 120.300 0.118 0.000 2.452 281 Y HA 0.386 4.936 4.550 0.000 0.000 0.323 281 Y C -2.010 173.943 175.900 0.088 0.000 1.244 281 Y CA -1.401 56.807 58.100 0.180 0.000 1.158 281 Y CB 0.569 39.260 38.460 0.386 0.000 1.332 281 Y HN 0.513 nan 8.280 nan 0.000 0.456 282 D N 0.441 120.942 120.400 0.168 0.000 2.812 282 D HA 0.219 4.859 4.640 0.000 0.000 0.318 282 D C 0.512 176.943 176.300 0.219 0.000 1.234 282 D CA -0.557 53.342 54.000 -0.169 0.000 0.989 282 D CB 1.021 41.674 40.800 -0.246 0.000 1.442 282 D HN 0.708 nan 8.370 nan 0.000 0.537 283 E N -0.309 120.022 120.200 0.219 0.000 2.058 283 E HA -0.212 4.138 4.350 0.000 0.000 0.194 283 E C 1.950 178.605 176.600 0.092 0.000 0.997 283 E CA 1.625 58.200 56.400 0.291 0.000 0.801 283 E CB -0.315 29.515 29.700 0.217 0.000 0.746 283 E HN 0.478 nan 8.360 nan 0.000 0.450 284 A N 0.149 122.977 122.820 0.014 0.000 1.948 284 A HA -0.220 4.100 4.320 0.000 0.000 0.220 284 A C 2.368 179.880 177.584 -0.120 0.000 1.177 284 A CA 2.174 54.181 52.037 -0.052 0.000 0.636 284 A CB -0.996 17.969 19.000 -0.058 0.000 0.815 284 A HN 0.352 nan 8.150 nan 0.000 0.449 285 T N -0.439 114.041 114.554 -0.125 0.000 2.777 285 T HA -0.103 4.247 4.350 0.000 0.000 0.266 285 T C 1.904 176.326 174.700 -0.463 0.000 1.040 285 T CA 1.502 63.405 62.100 -0.329 0.000 1.141 285 T CB -0.445 68.313 68.868 -0.184 0.000 0.868 285 T HN 0.184 nan 8.240 nan 0.000 0.444 286 V N 2.784 122.595 119.914 -0.172 0.000 2.233 286 V HA -0.215 3.905 4.120 0.000 0.000 0.247 286 V C 2.458 178.375 176.094 -0.295 0.000 1.050 286 V CA 1.654 63.799 62.300 -0.260 0.000 1.010 286 V CB -0.623 31.108 31.823 -0.153 0.000 0.637 286 V HN 0.476 nan 8.190 nan 0.000 0.444 287 N N -0.038 118.551 118.700 -0.186 0.000 2.205 287 N HA -0.158 4.582 4.740 0.000 0.000 0.186 287 N C 2.138 177.580 175.510 -0.113 0.000 1.015 287 N CA 1.732 54.696 53.050 -0.143 0.000 0.862 287 N CB -0.419 38.011 38.487 -0.095 0.000 0.986 287 N HN 0.496 nan 8.380 nan 0.000 0.429 288 S N 0.128 115.736 115.700 -0.153 0.000 2.368 288 S HA -0.064 4.406 4.470 0.000 0.000 0.225 288 S C 1.703 176.357 174.600 0.089 0.000 1.030 288 S CA 0.779 58.916 58.200 -0.105 0.000 0.999 288 S CB -0.197 62.876 63.200 -0.213 0.000 0.844 288 S HN 0.139 nan 8.310 nan 0.000 0.459 289 F N 1.608 121.560 119.950 0.003 0.000 2.163 289 F HA 0.192 4.719 4.527 0.000 0.000 0.297 289 F C 2.170 178.026 175.800 0.094 0.000 1.094 289 F CA 0.086 58.151 58.000 0.108 0.000 1.290 289 F CB -0.945 38.039 39.000 -0.027 0.000 1.017 289 F HN 0.226 nan 8.300 nan 0.000 0.483 290 I N -0.190 120.448 120.570 0.114 0.000 2.252 290 I HA -0.264 3.906 4.170 0.000 0.000 0.245 290 I C 1.951 178.078 176.117 0.016 0.000 1.102 290 I CA 1.351 62.653 61.300 0.002 0.000 1.385 290 I CB -0.452 37.458 38.000 -0.149 0.000 1.064 290 I HN 0.029 nan 8.210 nan 0.000 0.414 291 D N 0.983 121.379 120.400 -0.007 0.000 2.178 291 D HA -0.109 4.531 4.640 0.000 0.000 0.202 291 D C 2.189 178.461 176.300 -0.048 0.000 0.974 291 D CA 1.457 55.434 54.000 -0.039 0.000 0.841 291 D CB -0.441 40.323 40.800 -0.061 0.000 0.953 291 D HN 0.389 nan 8.370 nan 0.000 0.478 292 G N 0.799 109.594 108.800 -0.007 0.000 2.422 292 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 292 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 292 G C 1.592 176.432 174.900 -0.099 0.000 1.146 292 G CA 0.516 45.487 45.100 -0.215 0.000 0.769 292 G HN 0.114 nan 8.290 nan 0.000 0.547 293 M N 1.014 120.737 119.600 0.205 0.000 2.077 293 M HA 0.087 4.567 4.480 0.000 0.000 0.261 293 M C 3.097 179.435 176.300 0.063 0.000 1.070 293 M CA 1.382 56.811 55.300 0.215 0.000 1.125 293 M CB -1.272 31.429 32.600 0.167 0.000 1.339 293 M HN 0.307 nan 8.290 nan 0.000 0.409 294 A N 0.288 123.114 122.820 0.010 0.000 1.908 294 A HA -0.198 4.122 4.320 0.000 0.000 0.218 294 A C 2.038 179.600 177.584 -0.038 0.000 1.181 294 A CA 1.942 53.964 52.037 -0.024 0.000 0.627 294 A CB -0.858 18.118 19.000 -0.041 0.000 0.818 294 A HN 0.584 nan 8.150 nan 0.000 0.445 295 E N -0.591 119.569 120.200 -0.066 0.000 2.097 295 E HA -0.199 4.151 4.350 0.000 0.000 0.196 295 E C 1.697 178.250 176.600 -0.078 0.000 1.000 295 E CA 1.330 57.674 56.400 -0.093 0.000 0.804 295 E CB -0.137 29.469 29.700 -0.157 0.000 0.740 295 E HN 0.554 nan 8.360 nan 0.000 0.454 296 R N 0.554 121.017 120.500 -0.061 0.000 2.426 296 R HA 0.133 4.473 4.340 0.000 0.000 0.263 296 R C -0.193 176.121 176.300 0.024 0.000 0.961 296 R CA -0.081 56.010 56.100 -0.015 0.000 1.086 296 R CB 0.140 30.452 30.300 0.019 0.000 1.186 296 R HN 0.090 nan 8.270 nan 0.000 0.537 297 N N 1.028 119.733 118.700 0.009 0.000 2.740 297 N HA -0.183 4.557 4.740 0.000 0.000 0.248 297 N C -0.999 174.532 175.510 0.035 0.000 1.062 297 N CA 0.900 53.957 53.050 0.013 0.000 0.704 297 N CB -1.109 37.383 38.487 0.009 0.000 0.968 297 N HN 0.323 nan 8.380 nan 0.000 0.547 298 L N 0.743 121.998 121.223 0.053 0.000 2.264 298 L HA 0.380 4.720 4.340 0.000 0.000 0.287 298 L C -1.987 174.893 176.870 0.017 0.000 1.039 298 L CA -1.559 53.324 54.840 0.073 0.000 0.829 298 L CB 1.078 43.222 42.059 0.141 0.000 1.211 298 L HN -0.283 nan 8.230 nan 0.000 0.427 299 P HA 0.081 nan 4.420 nan 0.000 0.268 299 P C -0.982 176.158 177.300 -0.267 0.000 1.204 299 P CA 0.024 63.051 63.100 -0.123 0.000 0.768 299 P CB 0.732 32.429 31.700 -0.004 0.000 0.842 300 L N 4.374 125.300 121.223 -0.496 0.000 2.464 300 L HA 0.334 4.674 4.340 0.000 0.000 0.266 300 L C -0.320 176.170 176.870 -0.634 0.000 0.965 300 L CA -0.445 54.141 54.840 -0.423 0.000 0.833 300 L CB 1.815 43.790 42.059 -0.140 0.000 1.296 300 L HN 0.532 nan 8.230 nan 0.000 0.405 301 H N 2.979 122.041 119.070 -0.013 0.000 3.205 301 H HA 0.394 4.950 4.556 0.000 0.000 0.252 301 H C -0.338 174.869 175.328 -0.201 0.000 1.015 301 H CA -0.046 55.962 56.048 -0.067 0.000 1.192 301 H CB 1.207 30.977 29.762 0.013 0.000 1.474 301 H HN 0.222 nan 8.280 nan 0.000 0.484 302 V N 1.198 120.998 119.914 -0.189 0.000 2.686 302 V HA 0.252 4.372 4.120 0.000 0.000 0.306 302 V C -1.510 174.441 176.094 -0.239 0.000 1.065 302 V CA -0.951 61.078 62.300 -0.451 0.000 0.894 302 V CB 2.478 33.543 31.823 -1.265 0.000 1.004 302 V HN 0.114 nan 8.190 nan 0.000 0.424 303 F N 3.680 123.438 119.950 -0.319 0.000 2.495 303 F HA 0.736 5.263 4.527 0.000 0.000 0.327 303 F C -0.450 175.221 175.800 -0.215 0.000 1.103 303 F CA -0.560 57.293 58.000 -0.245 0.000 0.949 303 F CB 1.503 40.335 39.000 -0.281 0.000 1.142 303 F HN 0.707 nan 8.300 nan 0.000 0.457 304 H N 5.361 123.709 119.070 -1.205 0.000 2.505 304 H HA 0.440 4.996 4.556 0.000 0.000 0.338 304 H C -1.710 173.094 175.328 -0.873 0.000 1.057 304 H CA -0.805 54.785 56.048 -0.763 0.000 1.202 304 H CB 0.715 30.229 29.762 -0.414 0.000 1.466 304 H HN 0.471 nan 8.280 nan 0.000 0.499 305 F N 4.108 123.508 119.950 -0.916 0.000 2.390 305 F HA 0.174 4.701 4.527 0.000 0.000 0.361 305 F C 0.790 176.226 175.800 -0.607 0.000 1.124 305 F CA -0.347 57.321 58.000 -0.552 0.000 1.149 305 F CB 0.601 39.429 39.000 -0.287 0.000 1.160 305 F HN 0.661 nan 8.300 nan 0.000 0.501 306 D N 1.258 121.576 120.400 -0.137 0.000 2.425 306 D HA 0.140 4.780 4.640 0.000 0.000 0.274 306 D C 1.195 177.704 176.300 0.348 0.000 1.242 306 D CA -0.295 53.817 54.000 0.187 0.000 1.060 306 D CB 0.791 41.802 40.800 0.350 0.000 1.112 306 D HN 0.582 nan 8.370 nan 0.000 0.561 307 C N -0.420 118.734 119.300 -0.244 0.000 2.347 307 C HA -0.246 4.214 4.460 0.000 0.000 0.270 307 C C 2.356 176.888 174.990 -0.763 0.000 1.145 307 C CA 0.625 58.944 59.018 -1.165 0.000 1.802 307 C CB -1.462 25.120 27.740 -1.930 0.000 2.084 307 C HN 0.525 nan 8.230 nan 0.000 0.446 308 F N 1.603 121.585 119.950 0.053 0.000 2.772 308 F HA -0.027 4.500 4.527 0.000 0.000 0.301 308 F C 2.003 178.003 175.800 0.333 0.000 1.250 308 F CA 0.361 58.456 58.000 0.159 0.000 1.441 308 F CB -0.836 38.124 39.000 -0.067 0.000 1.112 308 F HN 0.626 nan 8.300 nan 0.000 0.563 309 W N -0.944 120.560 121.300 0.339 0.000 2.800 309 W HA 0.210 4.870 4.660 0.000 0.000 0.249 309 W C -0.088 176.513 176.519 0.137 0.000 1.294 309 W CA 0.074 57.591 57.345 0.286 0.000 1.402 309 W CB -0.568 28.761 29.460 -0.219 0.000 1.126 309 W HN -0.015 nan 8.180 nan 0.000 0.652 310 M N 1.250 120.678 119.600 -0.288 0.000 2.664 310 M HA 0.314 4.794 4.480 0.000 0.000 0.314 310 M C -0.039 176.311 176.300 0.082 0.000 1.200 310 M CA -0.841 54.271 55.300 -0.312 0.000 0.916 310 M CB 2.546 34.733 32.600 -0.689 0.000 1.717 310 M HN -0.396 nan 8.290 nan 0.000 0.470 311 K N 1.322 121.775 120.400 0.088 0.000 2.451 311 K HA 0.317 4.637 4.320 0.000 0.000 0.280 311 K C -0.122 176.427 176.600 -0.085 0.000 1.020 311 K CA -0.299 56.028 56.287 0.067 0.000 1.008 311 K CB 0.483 33.017 32.500 0.056 0.000 0.917 311 K HN 0.703 nan 8.250 nan 0.000 0.478 312 A N 2.802 125.469 122.820 -0.254 0.000 2.555 312 A HA 0.083 4.403 4.320 0.000 0.000 0.233 312 A C 0.147 177.241 177.584 -0.816 0.000 1.060 312 A CA 0.093 51.604 52.037 -0.877 0.000 0.759 312 A CB -0.504 17.985 19.000 -0.851 0.000 0.995 312 A HN 0.784 nan 8.150 nan 0.000 0.506 313 F N -1.514 117.892 119.950 -0.906 0.000 2.825 313 F HA -0.261 4.266 4.527 0.000 0.000 0.358 313 F C 1.344 176.934 175.800 -0.350 0.000 0.639 313 F CA 1.874 59.527 58.000 -0.579 0.000 1.153 313 F CB -1.807 36.970 39.000 -0.371 0.000 1.610 313 F HN 0.741 nan 8.300 nan 0.000 0.305 314 Q N -1.462 118.245 119.800 -0.155 0.000 2.172 314 Q HA 0.050 4.390 4.340 0.000 0.000 0.217 314 Q C -0.264 175.842 176.000 0.177 0.000 0.832 314 Q CA -0.421 55.409 55.803 0.045 0.000 1.010 314 Q CB 0.244 29.022 28.738 0.066 0.000 1.133 314 Q HN 0.271 nan 8.270 nan 0.000 0.489 315 W N 0.750 122.023 121.300 -0.045 0.000 2.534 315 W HA -0.079 4.581 4.660 0.000 0.000 0.340 315 W C 0.691 177.316 176.519 0.177 0.000 1.352 315 W CA -0.455 56.900 57.345 0.016 0.000 1.305 315 W CB -0.346 29.125 29.460 0.017 0.000 1.299 315 W HN 0.259 nan 8.180 nan 0.000 0.572 316 C N 4.303 123.753 119.300 0.250 0.000 4.674 316 C HA -0.244 4.216 4.460 0.000 0.000 0.304 316 C C 1.227 176.128 174.990 -0.148 0.000 1.240 316 C CA 0.567 59.521 59.018 -0.107 0.000 2.187 316 C CB -2.224 25.516 27.740 0.000 0.000 1.202 316 C HN 0.717 nan 8.230 nan 0.000 0.756 317 D N -1.021 119.368 120.400 -0.018 0.000 2.369 317 D HA 0.198 4.838 4.640 0.000 0.000 0.211 317 D C 0.907 177.388 176.300 0.302 0.000 1.077 317 D CA 0.004 54.170 54.000 0.277 0.000 0.842 317 D CB -0.312 40.659 40.800 0.285 0.000 0.947 317 D HN 0.552 nan 8.370 nan 0.000 0.509 318 F N 0.004 120.012 119.950 0.096 0.000 2.953 318 F HA -0.205 4.322 4.527 0.000 0.000 0.292 318 F C -0.084 175.767 175.800 0.086 0.000 0.747 318 F CA 0.474 58.508 58.000 0.057 0.000 1.222 318 F CB -1.856 37.192 39.000 0.081 0.000 1.457 318 F HN -0.029 nan 8.300 nan 0.000 0.383 319 E N -0.025 120.250 120.200 0.125 0.000 2.151 319 E HA 0.222 4.572 4.350 0.000 0.000 0.275 319 E C -0.358 176.359 176.600 0.194 0.000 0.936 319 E CA -0.730 55.813 56.400 0.238 0.000 0.777 319 E CB 0.585 30.429 29.700 0.239 0.000 1.108 319 E HN 0.177 nan 8.360 nan 0.000 0.401 320 W N 1.791 123.316 121.300 0.376 0.000 2.210 320 W HA -0.004 4.656 4.660 0.000 0.000 0.330 320 W C 1.039 177.745 176.519 0.313 0.000 1.334 320 W CA -0.001 57.605 57.345 0.434 0.000 1.227 320 W CB 0.341 30.030 29.460 0.382 0.000 1.178 320 W HN 0.288 nan 8.180 nan 0.000 0.560 321 D N 5.030 125.760 120.400 0.550 0.000 2.346 321 D HA 0.009 4.649 4.640 0.000 0.000 0.267 321 D C -1.407 175.114 176.300 0.370 0.000 1.320 321 D CA -1.456 52.772 54.000 0.380 0.000 0.951 321 D CB 1.086 42.095 40.800 0.349 0.000 1.079 321 D HN 0.064 nan 8.370 nan 0.000 0.509 322 P HA -0.131 nan 4.420 nan 0.000 0.217 322 P C 1.599 178.979 177.300 0.133 0.000 1.148 322 P CA 0.871 64.093 63.100 0.203 0.000 0.828 322 P CB 0.243 32.036 31.700 0.155 0.000 0.783 323 L N -1.917 119.365 121.223 0.099 0.000 2.109 323 L HA -0.080 4.260 4.340 0.000 0.000 0.207 323 L C 1.953 178.807 176.870 -0.027 0.000 1.086 323 L CA 1.586 56.446 54.840 0.033 0.000 0.760 323 L CB -1.264 40.806 42.059 0.018 0.000 0.910 323 L HN 0.022 nan 8.230 nan 0.000 0.437 324 T N -1.184 113.338 114.554 -0.054 0.000 3.044 324 T HA 0.096 4.446 4.350 0.000 0.000 0.255 324 T C 0.093 174.444 174.700 -0.583 0.000 1.073 324 T CA 0.576 62.474 62.100 -0.337 0.000 1.125 324 T CB 0.118 68.729 68.868 -0.429 0.000 0.908 324 T HN -0.012 nan 8.240 nan 0.000 0.480 325 F N 0.687 120.756 119.950 0.199 0.000 2.710 325 F HA 0.384 4.911 4.527 0.000 0.000 0.345 325 F C -2.335 173.519 175.800 0.089 0.000 1.362 325 F CA -2.644 55.456 58.000 0.167 0.000 1.175 325 F CB 1.443 40.626 39.000 0.305 0.000 1.561 325 F HN -0.101 nan 8.300 nan 0.000 0.593 326 P HA -0.154 nan 4.420 nan 0.000 0.218 326 P C 0.170 177.497 177.300 0.045 0.000 1.148 326 P CA 1.506 64.661 63.100 0.092 0.000 0.822 326 P CB 0.310 32.040 31.700 0.050 0.000 0.784 327 D N -2.517 117.890 120.400 0.013 0.000 2.443 327 D HA 0.172 4.812 4.640 0.000 0.000 0.281 327 D C -2.003 174.182 176.300 -0.193 0.000 1.210 327 D CA -2.363 51.594 54.000 -0.072 0.000 0.875 327 D CB 0.305 41.075 40.800 -0.050 0.000 1.125 327 D HN -0.140 nan 8.370 nan 0.000 0.503 328 P HA -0.175 nan 4.420 nan 0.000 0.212 328 P C 1.189 178.099 177.300 -0.650 0.000 1.178 328 P CA 1.080 63.654 63.100 -0.877 0.000 0.915 328 P CB 0.310 31.123 31.700 -1.479 0.000 0.788 329 E N -0.697 119.237 120.200 -0.443 0.000 2.153 329 E HA -0.139 4.211 4.350 0.000 0.000 0.194 329 E C 2.135 178.608 176.600 -0.211 0.000 0.988 329 E CA 1.349 57.575 56.400 -0.291 0.000 0.811 329 E CB -0.894 28.690 29.700 -0.192 0.000 0.746 329 E HN 0.155 nan 8.360 nan 0.000 0.466 330 G N 1.380 110.072 108.800 -0.180 0.000 2.433 330 G HA2 -0.319 3.641 3.960 0.000 0.000 0.216 330 G HA3 -0.319 3.641 3.960 0.000 0.000 0.216 330 G C 1.565 176.396 174.900 -0.114 0.000 1.186 330 G CA 0.908 45.936 45.100 -0.121 0.000 0.779 330 G HN 0.337 nan 8.290 nan 0.000 0.543 331 M N 0.028 119.551 119.600 -0.128 0.000 2.149 331 M HA -0.010 4.470 4.480 0.000 0.000 0.261 331 M C 2.380 178.636 176.300 -0.073 0.000 1.064 331 M CA 1.496 56.751 55.300 -0.075 0.000 1.102 331 M CB -0.230 32.342 32.600 -0.046 0.000 1.369 331 M HN 0.262 nan 8.290 nan 0.000 0.408 332 I N -0.340 120.138 120.570 -0.153 0.000 2.286 332 I HA -0.229 3.941 4.170 0.000 0.000 0.245 332 I C 2.555 178.616 176.117 -0.094 0.000 1.104 332 I CA 0.805 62.039 61.300 -0.109 0.000 1.397 332 I CB -0.492 37.394 38.000 -0.189 0.000 1.072 332 I HN 0.311 nan 8.210 nan 0.000 0.417 333 R N 1.773 122.207 120.500 -0.110 0.000 2.096 333 R HA -0.123 4.217 4.340 0.000 0.000 0.235 333 R C 2.185 178.434 176.300 -0.084 0.000 1.127 333 R CA 1.590 57.631 56.100 -0.097 0.000 0.968 333 R CB -0.455 29.789 30.300 -0.094 0.000 0.861 333 R HN 0.242 nan 8.270 nan 0.000 0.440 334 R N -0.267 120.188 120.500 -0.075 0.000 2.092 334 R HA -0.008 4.332 4.340 0.000 0.000 0.231 334 R C 2.289 178.545 176.300 -0.073 0.000 1.119 334 R CA 1.539 57.599 56.100 -0.067 0.000 0.970 334 R CB -0.383 29.883 30.300 -0.057 0.000 0.864 334 R HN 0.224 nan 8.270 nan 0.000 0.440 335 L N 0.596 121.778 121.223 -0.068 0.000 2.109 335 L HA -0.125 4.215 4.340 0.000 0.000 0.207 335 L C 2.132 178.943 176.870 -0.098 0.000 1.086 335 L CA 1.336 56.128 54.840 -0.081 0.000 0.760 335 L CB -0.263 41.766 42.059 -0.051 0.000 0.910 335 L HN 0.122 nan 8.230 nan 0.000 0.437 336 K N 0.251 120.590 120.400 -0.102 0.000 2.103 336 K HA -0.059 4.261 4.320 0.000 0.000 0.204 336 K C 2.213 178.743 176.600 -0.116 0.000 1.052 336 K CA 1.118 57.327 56.287 -0.129 0.000 0.945 336 K CB -0.216 32.201 32.500 -0.138 0.000 0.722 336 K HN 0.231 nan 8.250 nan 0.000 0.443 337 A N 2.037 124.799 122.820 -0.097 0.000 2.024 337 A HA -0.181 4.139 4.320 0.000 0.000 0.220 337 A C 1.547 179.080 177.584 -0.084 0.000 1.164 337 A CA 1.401 53.387 52.037 -0.085 0.000 0.643 337 A CB -0.263 18.692 19.000 -0.074 0.000 0.806 337 A HN 0.216 nan 8.150 nan 0.000 0.451 338 K N -1.137 119.209 120.400 -0.089 0.000 2.505 338 K HA 0.224 4.544 4.320 0.000 0.000 0.192 338 K C 0.997 177.542 176.600 -0.091 0.000 1.025 338 K CA 0.418 56.653 56.287 -0.087 0.000 1.086 338 K CB -0.168 32.277 32.500 -0.092 0.000 0.840 338 K HN 0.643 nan 8.250 nan 0.000 0.514 339 G N 1.579 110.317 108.800 -0.103 0.000 2.148 339 G HA2 -0.268 3.692 3.960 0.000 0.000 0.254 339 G HA3 -0.268 3.692 3.960 0.000 0.000 0.254 339 G C 0.027 174.846 174.900 -0.135 0.000 0.981 339 G CA -0.104 44.931 45.100 -0.109 0.000 0.670 339 G HN 0.184 nan 8.290 nan 0.000 0.528 340 L N -0.074 121.057 121.223 -0.154 0.000 2.379 340 L HA 0.574 4.914 4.340 0.000 0.000 0.269 340 L C 0.528 177.228 176.870 -0.283 0.000 1.084 340 L CA -0.892 53.840 54.840 -0.182 0.000 0.802 340 L CB 0.963 42.939 42.059 -0.138 0.000 1.175 340 L HN -0.129 nan 8.230 nan 0.000 0.448 341 K N 2.094 122.258 120.400 -0.393 0.000 2.123 341 K HA 0.596 4.916 4.320 0.000 0.000 0.259 341 K C -0.928 175.429 176.600 -0.405 0.000 0.960 341 K CA -0.680 55.245 56.287 -0.604 0.000 0.872 341 K CB 2.101 33.919 32.500 -1.136 0.000 1.079 341 K HN 0.240 nan 8.250 nan 0.000 0.440 342 I N 0.936 121.307 120.570 -0.332 0.000 2.433 342 I HA 0.236 4.406 4.170 0.000 0.000 0.292 342 I C -0.369 175.656 176.117 -0.154 0.000 1.001 342 I CA -0.563 60.646 61.300 -0.152 0.000 1.119 342 I CB 1.672 39.666 38.000 -0.010 0.000 1.289 342 I HN 0.481 nan 8.210 nan 0.000 0.438 343 C N 7.444 126.709 119.300 -0.057 0.000 2.498 343 C HA 0.911 5.371 4.460 0.000 0.000 0.316 343 C C -0.446 174.655 174.990 0.185 0.000 1.209 343 C CA -0.403 58.641 59.018 0.042 0.000 1.518 343 C CB 0.659 28.505 27.740 0.177 0.000 2.147 343 C HN 0.723 nan 8.230 nan 0.000 0.483 344 V N 3.083 123.090 119.914 0.154 0.000 2.864 344 V HA 0.708 4.828 4.120 0.000 0.000 0.314 344 V C -0.651 175.757 176.094 0.523 0.000 1.073 344 V CA -0.891 61.484 62.300 0.125 0.000 0.956 344 V CB 1.504 33.091 31.823 -0.393 0.000 1.023 344 V HN 1.101 nan 8.190 nan 0.000 0.435 345 W N 5.401 126.986 121.300 0.475 0.000 2.190 345 W HA 0.696 5.356 4.660 0.000 0.000 0.330 345 W C -0.240 176.608 176.519 0.549 0.000 1.299 345 W CA 0.024 57.696 57.345 0.546 0.000 1.215 345 W CB 0.736 30.453 29.460 0.427 0.000 1.147 345 W HN 0.891 nan 8.180 nan 0.000 0.563 346 I N 3.248 123.640 120.570 -0.297 0.000 3.195 346 I HA 0.620 4.790 4.170 0.000 0.000 0.313 346 I C -1.229 174.309 176.117 -0.965 0.000 1.237 346 I CA -1.250 59.788 61.300 -0.437 0.000 0.963 346 I CB 2.210 40.250 38.000 0.067 0.000 1.278 346 I HN 0.729 nan 8.210 nan 0.000 0.460 347 N N 1.207 119.595 118.700 -0.520 0.000 3.020 347 N HA 0.507 5.247 4.740 0.000 0.000 0.248 347 N C -2.837 172.602 175.510 -0.119 0.000 1.480 347 N CA -1.365 51.494 53.050 -0.318 0.000 0.874 347 N CB 2.506 40.722 38.487 -0.452 0.000 1.433 347 N HN 0.417 nan 8.380 nan 0.000 0.530 348 P HA 0.234 nan 4.420 nan 0.000 0.259 348 P C -1.166 176.267 177.300 0.222 0.000 1.530 348 P CA 0.250 63.217 63.100 -0.223 0.000 1.022 348 P CB -0.249 31.107 31.700 -0.574 0.000 1.514 349 Y N 0.054 120.550 120.300 0.326 0.000 2.650 349 Y HA 0.653 5.203 4.550 0.000 0.000 0.331 349 Y C 0.429 176.524 175.900 0.325 0.000 1.082 349 Y CA -2.461 55.799 58.100 0.268 0.000 1.171 349 Y CB 1.211 39.845 38.460 0.290 0.000 1.326 349 Y HN -0.257 nan 8.280 nan 0.000 0.513 350 I N 0.481 121.290 120.570 0.398 0.000 2.649 350 I HA 0.586 4.756 4.170 0.000 0.000 0.289 350 I C -0.344 176.000 176.117 0.377 0.000 1.222 350 I CA -0.486 61.020 61.300 0.344 0.000 1.046 350 I CB 1.482 39.569 38.000 0.146 0.000 1.272 350 I HN 0.749 nan 8.210 nan 0.000 0.425 351 G N 4.491 113.472 108.800 0.302 0.000 2.483 351 G HA2 0.105 4.065 3.960 0.000 0.000 0.248 351 G HA3 0.105 4.065 3.960 0.000 0.000 0.248 351 G C 0.315 175.220 174.900 0.009 0.000 1.248 351 G CA -0.193 44.989 45.100 0.136 0.000 0.838 351 G HN 0.855 nan 8.290 nan 0.000 0.566 352 Q N 1.122 120.688 119.800 -0.390 0.000 2.170 352 Q HA -0.145 4.195 4.340 0.000 0.000 0.203 352 Q C 2.251 177.990 176.000 -0.435 0.000 0.976 352 Q CA 1.540 56.744 55.803 -0.997 0.000 0.858 352 Q CB -0.068 28.091 28.738 -0.964 0.000 0.907 352 Q HN 0.709 nan 8.270 nan 0.000 0.433 353 K N 0.352 120.621 120.400 -0.218 0.000 2.211 353 K HA -0.083 4.237 4.320 0.000 0.000 0.204 353 K C 0.620 177.221 176.600 0.001 0.000 1.047 353 K CA 0.697 56.923 56.287 -0.100 0.000 0.935 353 K CB -0.112 32.357 32.500 -0.051 0.000 0.728 353 K HN 0.064 nan 8.250 nan 0.000 0.452 354 S N 0.803 116.542 115.700 0.066 0.000 2.560 354 S HA 0.074 4.544 4.470 0.000 0.000 0.284 354 S C -1.939 172.766 174.600 0.175 0.000 1.327 354 S CA -1.338 56.951 58.200 0.149 0.000 1.055 354 S CB 0.994 64.329 63.200 0.225 0.000 0.868 354 S HN 0.063 nan 8.310 nan 0.000 0.506 355 P HA 0.017 nan 4.420 nan 0.000 0.226 355 P C 1.161 178.581 177.300 0.200 0.000 1.153 355 P CA 0.285 63.481 63.100 0.159 0.000 0.777 355 P CB 0.138 31.923 31.700 0.142 0.000 0.794 356 V N -1.434 118.632 119.914 0.253 0.000 2.871 356 V HA -0.167 3.953 4.120 0.000 0.000 0.256 356 V C 1.932 178.138 176.094 0.186 0.000 1.082 356 V CA 1.042 63.512 62.300 0.283 0.000 1.105 356 V CB -1.123 30.965 31.823 0.441 0.000 0.713 356 V HN 0.034 nan 8.190 nan 0.000 0.473 357 F N 1.547 121.532 119.950 0.059 0.000 2.043 357 F HA -0.299 4.228 4.527 0.000 0.000 0.297 357 F C 2.523 178.295 175.800 -0.046 0.000 1.121 357 F CA 2.575 60.567 58.000 -0.013 0.000 1.199 357 F CB -0.232 38.764 39.000 -0.007 0.000 0.968 357 F HN 0.014 nan 8.300 nan 0.000 0.478 358 K N 0.381 120.921 120.400 0.232 0.000 2.044 358 K HA -0.311 4.009 4.320 0.000 0.000 0.210 358 K C 2.234 178.810 176.600 -0.041 0.000 1.049 358 K CA 2.024 58.375 56.287 0.107 0.000 0.927 358 K CB -0.492 32.075 32.500 0.111 0.000 0.713 358 K HN 0.559 nan 8.250 nan 0.000 0.443 359 E N 0.691 120.873 120.200 -0.029 0.000 2.058 359 E HA -0.225 4.125 4.350 0.000 0.000 0.194 359 E C 2.114 178.548 176.600 -0.276 0.000 0.997 359 E CA 1.367 57.714 56.400 -0.088 0.000 0.801 359 E CB -0.166 29.547 29.700 0.021 0.000 0.746 359 E HN 0.372 nan 8.360 nan 0.000 0.450 360 L N 0.594 121.597 121.223 -0.367 0.000 2.046 360 L HA -0.208 4.132 4.340 0.000 0.000 0.208 360 L C 3.009 179.588 176.870 -0.486 0.000 1.077 360 L CA 1.687 56.201 54.840 -0.543 0.000 0.747 360 L CB -0.564 41.148 42.059 -0.579 0.000 0.896 360 L HN 0.354 nan 8.230 nan 0.000 0.432 361 Q N 0.600 120.136 119.800 -0.441 0.000 2.020 361 Q HA -0.243 4.097 4.340 0.000 0.000 0.202 361 Q C 2.000 177.863 176.000 -0.227 0.000 0.982 361 Q CA 1.786 57.391 55.803 -0.330 0.000 0.838 361 Q CB -0.020 28.567 28.738 -0.251 0.000 0.899 361 Q HN 0.486 nan 8.270 nan 0.000 0.423 362 E N 0.223 120.305 120.200 -0.198 0.000 2.160 362 E HA -0.193 4.157 4.350 0.000 0.000 0.195 362 E C 1.751 178.229 176.600 -0.205 0.000 0.991 362 E CA 1.187 57.496 56.400 -0.152 0.000 0.810 362 E CB 0.064 29.696 29.700 -0.113 0.000 0.742 362 E HN 0.326 nan 8.360 nan 0.000 0.466 363 K N -0.704 119.471 120.400 -0.375 0.000 2.426 363 K HA 0.066 4.386 4.320 0.000 0.000 0.193 363 K C 0.890 177.252 176.600 -0.396 0.000 1.028 363 K CA 0.460 56.423 56.287 -0.541 0.000 1.047 363 K CB 0.708 32.491 32.500 -1.194 0.000 0.821 363 K HN 0.205 nan 8.250 nan 0.000 0.513 364 G N 1.356 110.013 108.800 -0.239 0.000 2.198 364 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 364 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 364 G C 0.165 175.146 174.900 0.135 0.000 1.042 364 G CA -0.016 45.069 45.100 -0.026 0.000 0.791 364 G HN 0.257 nan 8.290 nan 0.000 0.502 365 Y N -0.634 119.569 120.300 -0.162 0.000 2.482 365 Y HA 0.404 4.954 4.550 0.000 0.000 0.270 365 Y C 1.838 177.634 175.900 -0.174 0.000 1.152 365 Y CA -0.495 57.508 58.100 -0.163 0.000 1.292 365 Y CB 0.059 38.387 38.460 -0.220 0.000 1.070 365 Y HN 0.331 nan 8.280 nan 0.000 0.528 366 L N 0.264 121.441 121.223 -0.076 0.000 2.360 366 L HA 0.286 4.626 4.340 0.000 0.000 0.271 366 L C -0.254 176.551 176.870 -0.108 0.000 1.057 366 L CA -1.313 53.425 54.840 -0.170 0.000 0.803 366 L CB 1.192 43.071 42.059 -0.301 0.000 1.207 366 L HN -0.167 nan 8.230 nan 0.000 0.445 367 L N 3.120 124.251 121.223 -0.153 0.000 2.534 367 L HA 0.085 4.425 4.340 0.000 0.000 0.271 367 L C -0.079 176.699 176.870 -0.152 0.000 1.178 367 L CA 0.691 55.383 54.840 -0.247 0.000 0.907 367 L CB -0.317 41.463 42.059 -0.464 0.000 1.164 367 L HN 0.445 nan 8.230 nan 0.000 0.482 368 K N 5.323 125.640 120.400 -0.139 0.000 2.123 368 K HA 0.516 4.836 4.320 0.000 0.000 0.248 368 K C -0.133 176.423 176.600 -0.074 0.000 0.969 368 K CA -0.908 55.341 56.287 -0.063 0.000 0.882 368 K CB 1.448 33.933 32.500 -0.026 0.000 1.080 368 K HN 0.576 nan 8.250 nan 0.000 0.441 369 R N 0.827 121.321 120.500 -0.010 0.000 2.541 369 R HA 0.119 4.459 4.340 0.000 0.000 0.263 369 R C -1.698 174.594 176.300 -0.013 0.000 1.112 369 R CA -1.784 54.318 56.100 0.003 0.000 1.170 369 R CB 0.008 30.330 30.300 0.036 0.000 1.167 369 R HN 0.334 nan 8.270 nan 0.000 0.582 370 P HA -0.191 nan 4.420 nan 0.000 0.216 370 P C 0.278 177.578 177.300 0.001 0.000 1.153 370 P CA 1.481 64.580 63.100 -0.001 0.000 0.858 370 P CB 0.021 31.726 31.700 0.008 0.000 0.789 371 D N -1.895 118.507 120.400 0.003 0.000 2.392 371 D HA 0.018 4.658 4.640 0.000 0.000 0.228 371 D C 1.422 177.723 176.300 0.001 0.000 1.003 371 D CA 1.003 55.004 54.000 0.002 0.000 0.917 371 D CB -1.054 39.746 40.800 0.001 0.000 0.890 371 D HN 0.267 nan 8.370 nan 0.000 0.532 372 G N -0.431 108.369 108.800 -0.000 0.000 2.195 372 G HA2 -0.297 3.663 3.960 0.000 0.000 0.246 372 G HA3 -0.297 3.663 3.960 0.000 0.000 0.246 372 G C 0.522 175.421 174.900 -0.002 0.000 0.984 372 G CA 0.463 45.564 45.100 0.001 0.000 0.633 372 G HN 0.866 nan 8.290 nan 0.000 0.525 373 S N -0.016 115.682 115.700 -0.004 0.000 2.661 373 S HA 0.754 5.224 4.470 0.000 0.000 0.265 373 S C 0.560 175.157 174.600 -0.005 0.000 1.225 373 S CA -0.749 57.447 58.200 -0.007 0.000 0.986 373 S CB 1.284 64.476 63.200 -0.012 0.000 1.008 373 S HN 0.646 nan 8.310 nan 0.000 0.565 374 L N 0.479 121.699 121.223 -0.005 0.000 2.395 374 L HA 0.333 4.673 4.340 0.000 0.000 0.269 374 L C -0.217 176.658 176.870 0.008 0.000 1.133 374 L CA -0.696 54.148 54.840 0.006 0.000 0.812 374 L CB 0.550 42.622 42.059 0.023 0.000 1.125 374 L HN 0.831 nan 8.230 nan 0.000 0.452 375 W N 3.909 125.130 121.300 -0.132 0.000 2.311 375 W HA 0.324 4.984 4.660 0.000 0.000 0.310 375 W C -0.501 175.943 176.519 -0.126 0.000 1.274 375 W CA -0.020 57.226 57.345 -0.164 0.000 1.215 375 W CB 0.558 29.858 29.460 -0.267 0.000 1.227 375 W HN 0.428 nan 8.180 nan 0.000 0.523 376 Q N 5.586 124.813 119.800 -0.955 0.000 2.435 376 Q HA 0.388 4.728 4.340 0.000 0.000 0.282 376 Q C -1.168 174.358 176.000 -0.790 0.000 1.020 376 Q CA -0.887 54.503 55.803 -0.689 0.000 0.820 376 Q CB 2.653 31.251 28.738 -0.234 0.000 1.436 376 Q HN 0.571 nan 8.270 nan 0.000 0.395 377 W N 0.392 121.311 121.300 -0.634 0.000 2.959 377 W HA 0.461 5.122 4.660 0.000 0.000 0.358 377 W C -1.251 175.151 176.519 -0.194 0.000 1.228 377 W CA -0.934 56.166 57.345 -0.408 0.000 1.183 377 W CB -0.069 29.159 29.460 -0.388 0.000 1.467 377 W HN 0.518 nan 8.180 nan 0.000 0.578 378 D N 0.692 121.037 120.400 -0.092 0.000 2.368 378 D HA 0.102 4.742 4.640 0.000 0.000 0.218 378 D C -0.137 175.978 176.300 -0.308 0.000 1.112 378 D CA 0.161 54.053 54.000 -0.179 0.000 0.834 378 D CB 0.552 41.262 40.800 -0.149 0.000 0.953 378 D HN 0.155 nan 8.370 nan 0.000 0.505 379 K N 0.254 120.218 120.400 -0.727 0.000 2.270 379 K HA 0.040 4.360 4.320 0.000 0.000 0.276 379 K C 0.656 177.189 176.600 -0.111 0.000 1.023 379 K CA -0.426 55.493 56.287 -0.614 0.000 0.955 379 K CB 1.676 33.412 32.500 -1.273 0.000 0.975 379 K HN 0.120 nan 8.250 nan 0.000 0.471 380 W N 0.462 121.709 121.300 -0.089 0.000 0.542 380 W HA -0.360 4.300 4.660 0.000 0.000 0.215 380 W C -0.819 175.757 176.519 0.095 0.000 0.917 380 W CA 1.522 58.923 57.345 0.095 0.000 0.358 380 W CB -0.455 29.079 29.460 0.124 0.000 1.905 380 W HN 0.553 nan 8.180 nan 0.000 1.157 381 Q N 0.741 120.547 119.800 0.009 0.000 2.397 381 Q HA 0.408 4.748 4.340 0.000 0.000 0.275 381 Q C -2.232 173.734 176.000 -0.057 0.000 1.090 381 Q CA -1.665 54.078 55.803 -0.100 0.000 0.809 381 Q CB 1.848 30.593 28.738 0.012 0.000 1.362 381 Q HN -0.023 nan 8.270 nan 0.000 0.431 382 P HA 0.062 nan 4.420 nan 0.000 0.276 382 P C 0.331 177.525 177.300 -0.176 0.000 1.243 382 P CA 0.534 63.508 63.100 -0.210 0.000 0.768 382 P CB 0.403 31.870 31.700 -0.388 0.000 0.856 383 G N 2.944 111.659 108.800 -0.141 0.000 2.295 383 G HA2 -0.271 3.689 3.960 0.000 0.000 0.287 383 G HA3 -0.271 3.689 3.960 0.000 0.000 0.287 383 G C -0.096 174.777 174.900 -0.044 0.000 1.055 383 G CA -0.100 44.909 45.100 -0.152 0.000 0.922 383 G HN 0.636 nan 8.290 nan 0.000 0.503 384 L N 0.079 121.370 121.223 0.113 0.000 2.453 384 L HA 0.591 4.931 4.340 0.000 0.000 0.272 384 L C 0.690 177.734 176.870 0.290 0.000 1.182 384 L CA 0.266 55.269 54.840 0.273 0.000 0.858 384 L CB 0.689 42.998 42.059 0.418 0.000 1.120 384 L HN 0.585 nan 8.230 nan 0.000 0.474 385 A N 6.138 129.157 122.820 0.333 0.000 2.387 385 A HA 0.800 5.120 4.320 0.000 0.000 0.303 385 A C -0.885 176.779 177.584 0.133 0.000 1.145 385 A CA -0.746 51.431 52.037 0.232 0.000 0.801 385 A CB 1.249 20.332 19.000 0.138 0.000 1.342 385 A HN 0.686 nan 8.150 nan 0.000 0.440 386 I N 0.124 120.704 120.570 0.017 0.000 2.530 386 I HA 0.289 4.459 4.170 0.000 0.000 0.297 386 I C -1.214 174.805 176.117 -0.164 0.000 1.011 386 I CA -0.553 60.734 61.300 -0.021 0.000 1.107 386 I CB 1.701 39.606 38.000 -0.159 0.000 1.285 386 I HN 0.639 nan 8.210 nan 0.000 0.436 387 Y N 2.939 123.140 120.300 -0.166 0.000 2.465 387 Y HA 0.017 4.567 4.550 0.000 0.000 0.331 387 Y C 0.661 176.284 175.900 -0.461 0.000 1.102 387 Y CA 0.045 57.911 58.100 -0.390 0.000 1.358 387 Y CB 0.252 38.274 38.460 -0.730 0.000 1.213 387 Y HN 0.412 nan 8.280 nan 0.000 0.525 388 D N 4.412 124.771 120.400 -0.068 0.000 2.422 388 D HA 0.037 4.677 4.640 0.000 0.000 0.227 388 D C 0.059 176.463 176.300 0.173 0.000 1.190 388 D CA 0.136 54.228 54.000 0.154 0.000 0.905 388 D CB -0.126 40.770 40.800 0.160 0.000 1.034 388 D HN 0.563 nan 8.370 nan 0.000 0.507 389 F N 1.152 121.294 119.950 0.320 0.000 2.802 389 F HA -0.063 4.464 4.527 0.000 0.000 0.300 389 F C 2.369 178.208 175.800 0.065 0.000 1.168 389 F CA 0.239 58.280 58.000 0.069 0.000 1.433 389 F CB 0.322 39.241 39.000 -0.134 0.000 1.115 389 F HN 0.337 nan 8.300 nan 0.000 0.582 390 T N -3.546 111.213 114.554 0.341 0.000 3.081 390 T HA -0.024 4.327 4.350 0.000 0.000 0.250 390 T C 0.680 175.524 174.700 0.239 0.000 1.100 390 T CA -0.130 62.137 62.100 0.279 0.000 1.038 390 T CB -0.296 68.778 68.868 0.345 0.000 0.962 390 T HN -0.024 nan 8.240 nan 0.000 0.516 391 N N 2.495 121.237 118.700 0.069 0.000 2.437 391 N HA 0.288 5.028 4.740 0.000 0.000 0.243 391 N C -2.107 173.231 175.510 -0.286 0.000 1.041 391 N CA -2.388 50.408 53.050 -0.423 0.000 0.940 391 N CB 1.747 39.888 38.487 -0.577 0.000 1.133 391 N HN -0.041 nan 8.380 nan 0.000 0.506 392 P HA -0.175 nan 4.420 nan 0.000 0.217 392 P C 0.517 177.722 177.300 -0.159 0.000 1.162 392 P CA 1.382 64.419 63.100 -0.105 0.000 0.901 392 P CB 0.368 32.050 31.700 -0.030 0.000 0.793 393 D N -1.250 118.993 120.400 -0.262 0.000 2.178 393 D HA -0.097 4.543 4.640 0.000 0.000 0.201 393 D C 1.939 177.824 176.300 -0.691 0.000 0.980 393 D CA 1.444 55.250 54.000 -0.323 0.000 0.842 393 D CB -0.582 40.113 40.800 -0.175 0.000 0.948 393 D HN 0.121 nan 8.370 nan 0.000 0.472 394 A N 0.410 122.740 122.820 -0.818 0.000 1.930 394 A HA -0.147 4.173 4.320 0.000 0.000 0.217 394 A C 2.539 180.130 177.584 0.012 0.000 1.175 394 A CA 0.948 52.608 52.037 -0.628 0.000 0.627 394 A CB -0.836 17.995 19.000 -0.282 0.000 0.815 394 A HN 0.310 nan 8.150 nan 0.000 0.443 395 C N -0.592 118.735 119.300 0.045 0.000 2.432 395 C HA -0.091 4.369 4.460 0.000 0.000 0.277 395 C C 2.716 177.760 174.990 0.090 0.000 1.249 395 C CA 1.451 60.535 59.018 0.110 0.000 1.725 395 C CB -0.939 26.805 27.740 0.007 0.000 2.028 395 C HN 0.732 nan 8.230 nan 0.000 0.477 396 K N -0.890 119.532 120.400 0.037 0.000 2.097 396 K HA -0.227 4.093 4.320 0.000 0.000 0.206 396 K C 2.020 178.682 176.600 0.104 0.000 1.049 396 K CA 1.737 58.048 56.287 0.041 0.000 0.933 396 K CB -0.336 32.181 32.500 0.029 0.000 0.717 396 K HN 0.698 nan 8.250 nan 0.000 0.442 397 W N 0.439 121.728 121.300 -0.019 0.000 2.355 397 W HA -0.266 4.394 4.660 0.000 0.000 0.309 397 W C 1.951 178.508 176.519 0.062 0.000 1.206 397 W CA 1.759 59.148 57.345 0.074 0.000 1.284 397 W CB -0.425 29.151 29.460 0.193 0.000 1.145 397 W HN 0.162 nan 8.180 nan 0.000 0.502 398 Y N 0.942 121.464 120.300 0.371 0.000 2.114 398 Y HA -0.228 4.322 4.550 0.000 0.000 0.284 398 Y C 2.441 178.181 175.900 -0.268 0.000 1.143 398 Y CA 2.944 61.112 58.100 0.114 0.000 1.135 398 Y CB -1.081 37.490 38.460 0.185 0.000 0.980 398 Y HN -0.004 nan 8.280 nan 0.000 0.499 399 A N -0.007 122.790 122.820 -0.038 0.000 1.908 399 A HA -0.231 4.089 4.320 0.000 0.000 0.218 399 A C 1.891 179.299 177.584 -0.294 0.000 1.181 399 A CA 2.149 54.075 52.037 -0.185 0.000 0.627 399 A CB -0.908 18.034 19.000 -0.096 0.000 0.818 399 A HN 0.541 nan 8.150 nan 0.000 0.445 400 D N -0.348 119.884 120.400 -0.279 0.000 2.144 400 D HA -0.099 4.541 4.640 0.000 0.000 0.199 400 D C 1.954 177.998 176.300 -0.428 0.000 0.984 400 D CA 0.974 54.797 54.000 -0.295 0.000 0.834 400 D CB -0.090 40.556 40.800 -0.257 0.000 0.955 400 D HN 0.238 nan 8.370 nan 0.000 0.465 401 K N 0.312 120.296 120.400 -0.694 0.000 2.057 401 K HA -0.005 4.315 4.320 0.000 0.000 0.206 401 K C 2.316 178.456 176.600 -0.766 0.000 1.050 401 K CA 0.325 56.093 56.287 -0.864 0.000 0.935 401 K CB -0.513 31.094 32.500 -1.488 0.000 0.715 401 K HN 0.261 nan 8.250 nan 0.000 0.439 402 L N 0.855 121.571 121.223 -0.846 0.000 2.046 402 L HA -0.190 4.150 4.340 0.000 0.000 0.208 402 L C 2.317 179.081 176.870 -0.176 0.000 1.077 402 L CA 1.380 55.876 54.840 -0.572 0.000 0.747 402 L CB -0.387 41.266 42.059 -0.677 0.000 0.896 402 L HN 0.159 nan 8.230 nan 0.000 0.432 403 K N -0.017 120.264 120.400 -0.198 0.000 2.209 403 K HA -0.101 4.219 4.320 0.000 0.000 0.204 403 K C 2.104 178.662 176.600 -0.070 0.000 1.048 403 K CA 1.043 57.273 56.287 -0.094 0.000 0.940 403 K CB -0.335 32.099 32.500 -0.111 0.000 0.729 403 K HN 0.401 nan 8.250 nan 0.000 0.451 404 G N 1.192 109.925 108.800 -0.111 0.000 2.402 404 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 404 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 404 G C 1.436 176.349 174.900 0.022 0.000 1.162 404 G CA 0.408 45.476 45.100 -0.054 0.000 0.777 404 G HN 0.092 nan 8.290 nan 0.000 0.539 405 L N 0.181 121.444 121.223 0.066 0.000 2.056 405 L HA -0.053 4.287 4.340 0.000 0.000 0.207 405 L C 2.982 179.896 176.870 0.073 0.000 1.078 405 L CA 0.348 55.278 54.840 0.150 0.000 0.749 405 L CB -0.441 41.786 42.059 0.279 0.000 0.901 405 L HN 0.076 nan 8.230 nan 0.000 0.433 406 V N 0.258 120.217 119.914 0.075 0.000 2.295 406 V HA -0.283 3.837 4.120 0.000 0.000 0.246 406 V C 2.637 178.708 176.094 -0.038 0.000 1.049 406 V CA 1.831 64.127 62.300 -0.007 0.000 1.024 406 V CB -0.849 30.982 31.823 0.014 0.000 0.648 406 V HN 0.491 nan 8.190 nan 0.000 0.447 407 A N -1.029 121.774 122.820 -0.027 0.000 2.225 407 A HA -0.149 4.171 4.320 0.000 0.000 0.215 407 A C 2.100 179.655 177.584 -0.048 0.000 1.164 407 A CA 1.779 53.792 52.037 -0.040 0.000 0.710 407 A CB -0.555 18.424 19.000 -0.035 0.000 0.780 407 A HN 0.574 nan 8.150 nan 0.000 0.473 408 M N -1.889 117.684 119.600 -0.045 0.000 2.428 408 M HA 0.278 4.758 4.480 0.000 0.000 0.239 408 M C 1.112 177.349 176.300 -0.105 0.000 1.121 408 M CA 1.054 56.311 55.300 -0.072 0.000 1.019 408 M CB 0.453 33.026 32.600 -0.045 0.000 1.485 408 M HN 0.535 nan 8.290 nan 0.000 0.484 409 G N 0.316 109.056 108.800 -0.099 0.000 2.231 409 G HA2 -0.175 3.785 3.960 0.000 0.000 0.206 409 G HA3 -0.175 3.785 3.960 0.000 0.000 0.206 409 G C -0.090 174.722 174.900 -0.145 0.000 0.996 409 G CA -0.025 45.001 45.100 -0.123 0.000 0.645 409 G HN 0.285 nan 8.290 nan 0.000 0.498 410 V N 2.037 121.865 119.914 -0.142 0.000 2.673 410 V HA 0.222 4.342 4.120 0.000 0.000 0.303 410 V C 1.035 176.961 176.094 -0.279 0.000 1.046 410 V CA 1.117 63.290 62.300 -0.212 0.000 1.126 410 V CB 1.232 32.907 31.823 -0.247 0.000 0.934 410 V HN 0.341 nan 8.190 nan 0.000 0.487 411 D N 1.797 122.012 120.400 -0.308 0.000 2.423 411 D HA 0.184 4.824 4.640 0.000 0.000 0.208 411 D C 0.371 176.545 176.300 -0.209 0.000 1.068 411 D CA 0.730 54.575 54.000 -0.259 0.000 0.860 411 D CB 0.785 41.374 40.800 -0.353 0.000 0.992 411 D HN 0.781 nan 8.370 nan 0.000 0.504 412 C N -1.390 117.684 119.300 -0.377 0.000 3.249 412 C HA 0.737 5.197 4.460 0.000 0.000 0.350 412 C C -1.630 173.007 174.990 -0.588 0.000 1.431 412 C CA -1.394 57.427 59.018 -0.328 0.000 1.209 412 C CB 0.661 28.485 27.740 0.140 0.000 1.546 412 C HN -0.031 nan 8.230 nan 0.000 0.450 413 F N 0.429 120.457 119.950 0.129 0.000 2.588 413 F HA 0.681 5.208 4.527 0.000 0.000 0.314 413 F C 0.008 175.872 175.800 0.106 0.000 1.069 413 F CA -0.677 57.393 58.000 0.117 0.000 0.931 413 F CB 1.748 40.791 39.000 0.071 0.000 1.260 413 F HN 0.761 nan 8.300 nan 0.000 0.465 414 K N 1.582 122.156 120.400 0.290 0.000 2.292 414 K HA 0.298 4.618 4.320 0.000 0.000 0.270 414 K C -0.597 176.040 176.600 0.063 0.000 1.062 414 K CA -0.386 55.964 56.287 0.106 0.000 0.916 414 K CB 0.746 33.198 32.500 -0.081 0.000 1.166 414 K HN 0.764 nan 8.250 nan 0.000 0.458 415 T N 1.102 115.687 114.554 0.051 0.000 3.176 415 T HA 0.108 4.458 4.350 0.000 0.000 0.301 415 T C -0.031 174.724 174.700 0.092 0.000 1.115 415 T CA -0.849 61.226 62.100 -0.042 0.000 1.027 415 T CB 0.279 68.896 68.868 -0.418 0.000 1.063 415 T HN 0.407 nan 8.240 nan 0.000 0.669 416 D N 1.545 121.968 120.400 0.038 0.000 2.354 416 D HA 0.510 5.150 4.640 0.000 0.000 0.247 416 D C 0.589 176.986 176.300 0.162 0.000 1.138 416 D CA -0.751 53.295 54.000 0.077 0.000 0.958 416 D CB 0.197 41.065 40.800 0.114 0.000 1.144 416 D HN 0.464 nan 8.370 nan 0.000 0.458 417 F N -0.232 119.685 119.950 -0.056 0.000 2.180 417 F HA -0.152 4.375 4.527 0.000 0.000 0.317 417 F C 1.687 177.513 175.800 0.043 0.000 0.129 417 F CA 1.189 59.155 58.000 -0.057 0.000 0.910 417 F CB -1.320 37.546 39.000 -0.224 0.000 4.124 417 F HN 0.584 nan 8.300 nan 0.000 0.145 418 G N -0.784 108.196 108.800 0.300 0.000 2.148 418 G HA2 -0.140 3.820 3.960 0.000 0.000 0.203 418 G HA3 -0.140 3.820 3.960 0.000 0.000 0.203 418 G C 0.531 175.593 174.900 0.271 0.000 0.993 418 G CA 0.512 45.790 45.100 0.297 0.000 0.661 418 G HN 1.067 nan 8.290 nan 0.000 0.518 419 E N 0.194 120.547 120.200 0.255 0.000 2.244 419 E HA 0.107 4.457 4.350 0.000 0.000 0.196 419 E C 1.379 177.978 176.600 -0.002 0.000 0.939 419 E CA -0.190 56.259 56.400 0.081 0.000 0.884 419 E CB -0.044 29.752 29.700 0.161 0.000 0.850 419 E HN 0.417 nan 8.360 nan 0.000 0.481 420 R N 1.702 122.322 120.500 0.200 0.000 4.556 420 R HA 0.229 4.569 4.340 0.000 0.000 0.197 420 R C -0.298 175.957 176.300 -0.076 0.000 1.791 420 R CA -0.121 56.098 56.100 0.198 0.000 1.526 420 R CB -0.112 30.440 30.300 0.421 0.000 1.410 420 R HN 0.102 nan 8.270 nan 0.000 0.826 421 I N 3.735 124.217 120.570 -0.147 0.000 2.325 421 I HA 0.201 4.371 4.170 0.000 0.000 0.291 421 I C -1.621 174.411 176.117 -0.141 0.000 1.019 421 I CA -3.218 57.907 61.300 -0.291 0.000 1.302 421 I CB 0.740 38.570 38.000 -0.283 0.000 1.401 421 I HN 0.094 nan 8.210 nan 0.000 0.485 422 P HA 0.158 nan 4.420 nan 0.000 0.274 422 P C 0.444 177.623 177.300 -0.202 0.000 1.231 422 P CA -0.054 62.752 63.100 -0.489 0.000 0.790 422 P CB 1.055 32.021 31.700 -1.223 0.000 0.951 423 T N -3.310 111.228 114.554 -0.026 0.000 3.015 423 T HA 0.002 4.352 4.350 0.000 0.000 0.250 423 T C 0.605 175.321 174.700 0.028 0.000 1.057 423 T CA 0.005 62.156 62.100 0.084 0.000 1.066 423 T CB -0.559 68.415 68.868 0.176 0.000 0.959 423 T HN 0.401 nan 8.240 nan 0.000 0.488 424 D N 2.400 122.801 120.400 0.002 0.000 2.885 424 D HA 0.350 4.990 4.640 0.000 0.000 0.234 424 D C 0.041 176.333 176.300 -0.013 0.000 1.129 424 D CA -0.256 53.762 54.000 0.031 0.000 0.991 424 D CB 0.210 41.063 40.800 0.088 0.000 1.137 424 D HN 0.349 nan 8.370 nan 0.000 0.459 425 V N -0.528 119.329 119.914 -0.094 0.000 3.202 425 V HA 0.407 4.527 4.120 0.000 0.000 0.306 425 V C -1.985 173.994 176.094 -0.193 0.000 1.283 425 V CA -0.933 61.245 62.300 -0.203 0.000 1.065 425 V CB 2.596 34.121 31.823 -0.496 0.000 1.079 425 V HN 0.289 nan 8.190 nan 0.000 0.448 426 Q N 2.102 121.764 119.800 -0.230 0.000 2.347 426 Q HA 0.365 4.705 4.340 0.000 0.000 0.265 426 Q C -1.762 174.155 176.000 -0.138 0.000 1.024 426 Q CA -0.537 55.200 55.803 -0.109 0.000 0.731 426 Q CB 1.141 29.861 28.738 -0.030 0.000 1.245 426 Q HN 0.728 nan 8.270 nan 0.000 0.472 427 W N 2.752 124.086 121.300 0.056 0.000 2.137 427 W HA 0.081 4.741 4.660 0.000 0.000 0.344 427 W C 1.118 177.720 176.519 0.139 0.000 1.286 427 W CA -0.413 56.995 57.345 0.105 0.000 1.240 427 W CB 0.317 29.844 29.460 0.111 0.000 1.141 427 W HN 0.717 nan 8.180 nan 0.000 0.579 428 F N 2.394 122.521 119.950 0.296 0.000 2.161 428 F HA -0.300 4.227 4.527 0.000 0.000 0.300 428 F C 2.106 178.012 175.800 0.177 0.000 1.089 428 F CA 2.243 60.359 58.000 0.193 0.000 1.282 428 F CB -0.027 39.085 39.000 0.186 0.000 1.010 428 F HN 0.369 nan 8.300 nan 0.000 0.485 429 D N -1.003 119.600 120.400 0.339 0.000 2.340 429 D HA 0.129 4.769 4.640 0.000 0.000 0.217 429 D C 1.653 178.018 176.300 0.109 0.000 1.081 429 D CA 0.727 54.833 54.000 0.178 0.000 0.842 429 D CB -0.517 40.430 40.800 0.245 0.000 0.934 429 D HN 0.375 nan 8.370 nan 0.000 0.511 430 G N 0.357 109.245 108.800 0.147 0.000 2.160 430 G HA2 -0.299 3.661 3.960 0.000 0.000 0.251 430 G HA3 -0.299 3.661 3.960 0.000 0.000 0.251 430 G C 0.349 175.327 174.900 0.130 0.000 1.008 430 G CA 0.406 45.580 45.100 0.124 0.000 0.724 430 G HN 0.450 nan 8.290 nan 0.000 0.514 431 S N -0.199 115.587 115.700 0.143 0.000 2.587 431 S HA 0.360 4.830 4.470 0.000 0.000 0.260 431 S C 0.337 174.997 174.600 0.099 0.000 1.353 431 S CA 0.135 58.358 58.200 0.038 0.000 0.995 431 S CB 1.111 64.245 63.200 -0.110 0.000 0.912 431 S HN 0.492 nan 8.310 nan 0.000 0.568 432 D N 1.029 121.452 120.400 0.037 0.000 2.338 432 D HA 0.247 4.888 4.640 0.000 0.000 0.255 432 D C -1.765 174.622 176.300 0.145 0.000 1.237 432 D CA -2.259 51.798 54.000 0.095 0.000 0.883 432 D CB 0.950 41.786 40.800 0.059 0.000 1.087 432 D HN -0.004 nan 8.370 nan 0.000 0.485 433 P HA -0.192 nan 4.420 nan 0.000 0.217 433 P C 1.148 178.637 177.300 0.315 0.000 1.151 433 P CA 1.131 64.466 63.100 0.392 0.000 0.849 433 P CB 0.246 32.136 31.700 0.317 0.000 0.787 434 Q N -0.561 119.392 119.800 0.255 0.000 2.291 434 Q HA -0.093 4.247 4.340 0.000 0.000 0.205 434 Q C 1.752 177.940 176.000 0.313 0.000 0.970 434 Q CA 1.333 57.324 55.803 0.314 0.000 0.876 434 Q CB -0.303 28.566 28.738 0.219 0.000 0.935 434 Q HN 0.432 nan 8.270 nan 0.000 0.455 435 K N -0.861 119.645 120.400 0.177 0.000 2.308 435 K HA 0.156 4.476 4.320 0.000 0.000 0.197 435 K C 1.845 178.487 176.600 0.070 0.000 1.049 435 K CA 0.000 56.345 56.287 0.096 0.000 0.991 435 K CB 0.227 32.709 32.500 -0.030 0.000 0.836 435 K HN 0.054 nan 8.250 nan 0.000 0.500 436 M N 0.415 120.028 119.600 0.022 0.000 2.374 436 M HA -0.099 4.381 4.480 0.000 0.000 0.264 436 M C 1.905 178.234 176.300 0.048 0.000 1.067 436 M CA 1.533 56.767 55.300 -0.109 0.000 1.103 436 M CB -0.837 31.410 32.600 -0.588 0.000 1.402 436 M HN 0.218 nan 8.290 nan 0.000 0.444 437 H N 1.114 120.194 119.070 0.016 0.000 2.265 437 H HA -0.136 4.420 4.556 0.000 0.000 0.295 437 H C 1.823 177.068 175.328 -0.139 0.000 1.084 437 H CA 2.432 58.396 56.048 -0.140 0.000 1.261 437 H CB 0.113 29.577 29.762 -0.497 0.000 1.360 437 H HN 0.282 nan 8.280 nan 0.000 0.487 438 N N -0.811 117.836 118.700 -0.088 0.000 2.207 438 N HA -0.128 4.612 4.740 0.000 0.000 0.182 438 N C 1.845 177.440 175.510 0.142 0.000 1.020 438 N CA 1.255 54.300 53.050 -0.009 0.000 0.858 438 N CB -0.597 38.002 38.487 0.187 0.000 0.991 438 N HN 0.493 nan 8.380 nan 0.000 0.427 439 H N -0.464 118.662 119.070 0.094 0.000 2.489 439 H HA -0.071 4.485 4.556 0.000 0.000 0.293 439 H C 1.724 177.142 175.328 0.150 0.000 1.066 439 H CA 1.066 57.191 56.048 0.128 0.000 1.305 439 H CB -0.221 29.563 29.762 0.036 0.000 1.386 439 H HN 0.264 nan 8.280 nan 0.000 0.551 440 Y N 0.228 120.505 120.300 -0.039 0.000 2.165 440 Y HA -0.264 4.286 4.550 0.000 0.000 0.286 440 Y C 2.554 178.490 175.900 0.058 0.000 1.155 440 Y CA 1.719 59.797 58.100 -0.037 0.000 1.164 440 Y CB -0.699 37.744 38.460 -0.028 0.000 0.978 440 Y HN 0.304 nan 8.280 nan 0.000 0.513 441 A N -0.427 122.520 122.820 0.212 0.000 1.917 441 A HA -0.316 4.004 4.320 0.000 0.000 0.219 441 A C 2.149 179.788 177.584 0.091 0.000 1.182 441 A CA 2.021 54.187 52.037 0.215 0.000 0.633 441 A CB -1.647 17.464 19.000 0.186 0.000 0.819 441 A HN 0.746 nan 8.150 nan 0.000 0.448 442 Y N 0.431 120.667 120.300 -0.107 0.000 2.145 442 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 442 Y C 2.075 177.816 175.900 -0.264 0.000 1.145 442 Y CA 1.726 59.734 58.100 -0.153 0.000 1.148 442 Y CB -0.066 38.226 38.460 -0.281 0.000 0.981 442 Y HN 0.246 nan 8.280 nan 0.000 0.507 443 I N -0.023 120.389 120.570 -0.263 0.000 2.226 443 I HA -0.329 3.841 4.170 0.000 0.000 0.245 443 I C 2.356 178.191 176.117 -0.470 0.000 1.100 443 I CA 1.645 62.749 61.300 -0.327 0.000 1.374 443 I CB -1.769 36.084 38.000 -0.245 0.000 1.057 443 I HN 0.431 nan 8.210 nan 0.000 0.413 444 Y N 2.365 122.304 120.300 -0.601 0.000 2.089 444 Y HA -0.282 4.268 4.550 0.000 0.000 0.282 444 Y C 2.578 178.160 175.900 -0.529 0.000 1.139 444 Y CA 1.689 59.419 58.100 -0.617 0.000 1.123 444 Y CB -0.134 38.127 38.460 -0.331 0.000 0.980 444 Y HN 0.170 nan 8.280 nan 0.000 0.493 445 N N 0.692 119.038 118.700 -0.591 0.000 2.166 445 N HA -0.230 4.510 4.740 0.000 0.000 0.186 445 N C 1.794 176.730 175.510 -0.956 0.000 1.019 445 N CA 1.674 54.305 53.050 -0.699 0.000 0.856 445 N CB -0.430 37.820 38.487 -0.395 0.000 0.993 445 N HN 0.634 nan 8.380 nan 0.000 0.426 446 E N 1.172 120.667 120.200 -1.175 0.000 2.106 446 E HA -0.126 4.224 4.350 0.000 0.000 0.192 446 E C 2.176 178.342 176.600 -0.722 0.000 0.984 446 E CA 0.407 55.961 56.400 -1.410 0.000 0.806 446 E CB -0.036 29.039 29.700 -1.040 0.000 0.750 446 E HN 0.277 nan 8.360 nan 0.000 0.458 447 L N 0.470 121.341 121.223 -0.587 0.000 2.027 447 L HA -0.157 4.183 4.340 0.000 0.000 0.206 447 L C 2.366 179.046 176.870 -0.316 0.000 1.074 447 L CA 1.091 55.669 54.840 -0.436 0.000 0.745 447 L CB -0.178 41.516 42.059 -0.609 0.000 0.898 447 L HN 0.060 nan 8.230 nan 0.000 0.433 448 V N -0.500 119.218 119.914 -0.327 0.000 2.261 448 V HA -0.341 3.779 4.120 0.000 0.000 0.246 448 V C 2.182 178.207 176.094 -0.116 0.000 1.047 448 V CA 2.327 64.500 62.300 -0.212 0.000 1.015 448 V CB -1.073 30.614 31.823 -0.226 0.000 0.642 448 V HN 0.735 nan 8.190 nan 0.000 0.446 449 W N 1.574 122.658 121.300 -0.361 0.000 2.304 449 W HA -0.255 4.405 4.660 0.000 0.000 0.315 449 W C 2.292 178.714 176.519 -0.162 0.000 1.233 449 W CA 2.304 59.495 57.345 -0.258 0.000 1.261 449 W CB -0.508 28.680 29.460 -0.453 0.000 1.150 449 W HN 0.362 nan 8.180 nan 0.000 0.494 450 N N 0.386 119.078 118.700 -0.013 0.000 2.309 450 N HA -0.144 4.596 4.740 0.000 0.000 0.182 450 N C 1.709 177.161 175.510 -0.098 0.000 1.018 450 N CA 1.515 54.544 53.050 -0.034 0.000 0.876 450 N CB -0.736 37.736 38.487 -0.026 0.000 0.972 450 N HN 0.084 nan 8.380 nan 0.000 0.434 451 V N 1.107 120.953 119.914 -0.113 0.000 2.358 451 V HA -0.165 3.955 4.120 0.000 0.000 0.246 451 V C 2.276 178.317 176.094 -0.087 0.000 1.047 451 V CA 1.025 63.270 62.300 -0.092 0.000 1.035 451 V CB -0.344 31.420 31.823 -0.098 0.000 0.658 451 V HN 0.137 nan 8.190 nan 0.000 0.452 452 L N 0.156 121.304 121.223 -0.124 0.000 1.994 452 L HA -0.175 4.165 4.340 0.000 0.000 0.208 452 L C 2.397 179.128 176.870 -0.231 0.000 1.071 452 L CA 1.967 56.700 54.840 -0.178 0.000 0.745 452 L CB -1.057 40.818 42.059 -0.307 0.000 0.892 452 L HN 0.300 nan 8.230 nan 0.000 0.431 453 K N -0.697 119.513 120.400 -0.316 0.000 2.211 453 K HA -0.172 4.148 4.320 0.000 0.000 0.204 453 K C 0.840 177.381 176.600 -0.098 0.000 1.047 453 K CA 1.445 57.604 56.287 -0.214 0.000 0.935 453 K CB 0.043 32.455 32.500 -0.147 0.000 0.728 453 K HN 0.356 nan 8.250 nan 0.000 0.452 454 D N -0.580 119.769 120.400 -0.084 0.000 2.349 454 D HA -0.016 4.624 4.640 0.000 0.000 0.214 454 D C 1.207 177.477 176.300 -0.050 0.000 1.063 454 D CA 0.743 54.713 54.000 -0.051 0.000 0.847 454 D CB 0.951 41.725 40.800 -0.043 0.000 0.933 454 D HN 0.441 nan 8.370 nan 0.000 0.513 455 T N -2.382 112.135 114.554 -0.062 0.000 3.463 455 T HA -0.016 4.334 4.350 0.000 0.000 0.203 455 T C 2.010 176.678 174.700 -0.052 0.000 0.955 455 T CA 0.660 62.729 62.100 -0.051 0.000 1.230 455 T CB -0.707 68.134 68.868 -0.045 0.000 1.392 455 T HN -0.101 nan 8.240 nan 0.000 0.361 456 V N 0.558 120.434 119.914 -0.063 0.000 2.913 456 V HA 0.465 4.585 4.120 0.000 0.000 0.260 456 V C 1.323 177.390 176.094 -0.044 0.000 1.098 456 V CA 0.531 62.800 62.300 -0.052 0.000 1.121 456 V CB -1.832 29.961 31.823 -0.050 0.000 0.714 456 V HN 1.497 nan 8.190 nan 0.000 0.487 457 G N -0.392 108.369 108.800 -0.065 0.000 2.712 457 G HA2 -0.159 3.801 3.960 0.000 0.000 0.686 457 G HA3 -0.159 3.801 3.960 0.000 0.000 0.686 457 G C -0.027 174.823 174.900 -0.084 0.000 1.181 457 G CA 0.128 45.198 45.100 -0.051 0.000 0.762 457 G HN 0.355 nan 8.290 nan 0.000 0.641 458 E N 0.035 120.200 120.200 -0.059 0.000 2.153 458 E HA -0.137 4.213 4.350 0.000 0.000 0.194 458 E C 2.190 178.780 176.600 -0.017 0.000 0.988 458 E CA 1.641 58.006 56.400 -0.059 0.000 0.811 458 E CB 0.021 29.759 29.700 0.062 0.000 0.746 458 E HN 0.747 nan 8.360 nan 0.000 0.466 459 E N 0.243 120.457 120.200 0.023 0.000 2.153 459 E HA -0.175 4.175 4.350 0.000 0.000 0.194 459 E C 1.484 178.109 176.600 0.041 0.000 0.988 459 E CA 0.758 57.193 56.400 0.057 0.000 0.811 459 E CB 0.060 29.801 29.700 0.068 0.000 0.746 459 E HN 0.169 nan 8.360 nan 0.000 0.466 460 E N 0.173 120.384 120.200 0.019 0.000 2.479 460 E HA 0.152 4.502 4.350 0.000 0.000 0.193 460 E C 0.081 176.665 176.600 -0.027 0.000 1.049 460 E CA 0.015 56.460 56.400 0.075 0.000 0.870 460 E CB 0.490 30.265 29.700 0.125 0.000 0.944 460 E HN 0.132 nan 8.360 nan 0.000 0.492 461 A N 1.136 123.823 122.820 -0.221 0.000 2.363 461 A HA 0.478 4.798 4.320 0.000 0.000 0.270 461 A C -0.112 177.253 177.584 -0.365 0.000 1.121 461 A CA -0.267 51.471 52.037 -0.499 0.000 0.800 461 A CB 0.910 19.178 19.000 -1.219 0.000 1.052 461 A HN 0.026 nan 8.150 nan 0.000 0.493 462 V N 3.419 123.225 119.914 -0.180 0.000 3.225 462 V HA 0.670 4.790 4.120 0.000 0.000 0.293 462 V C -1.339 174.859 176.094 0.173 0.000 1.405 462 V CA -0.513 61.831 62.300 0.073 0.000 1.038 462 V CB 2.017 33.804 31.823 -0.060 0.000 1.123 462 V HN 0.936 nan 8.190 nan 0.000 0.447 463 L N 3.117 124.462 121.223 0.203 0.000 2.301 463 L HA 0.676 5.016 4.340 0.000 0.000 0.249 463 L C -1.751 175.176 176.870 0.094 0.000 1.069 463 L CA -0.649 54.299 54.840 0.179 0.000 0.865 463 L CB 2.514 44.658 42.059 0.142 0.000 1.467 463 L HN 0.622 nan 8.230 nan 0.000 0.419 464 F N 1.150 121.020 119.950 -0.134 0.000 2.771 464 F HA 0.639 5.166 4.527 0.000 0.000 0.365 464 F C -0.073 175.730 175.800 0.004 0.000 1.169 464 F CA -0.553 57.313 58.000 -0.223 0.000 1.093 464 F CB 1.444 40.150 39.000 -0.490 0.000 1.363 464 F HN 0.336 nan 8.300 nan 0.000 0.496 465 A N 4.393 127.171 122.820 -0.071 0.000 2.317 465 A HA 0.590 4.910 4.320 0.000 0.000 0.327 465 A C 0.913 178.396 177.584 -0.169 0.000 1.178 465 A CA -0.603 51.383 52.037 -0.084 0.000 0.817 465 A CB 1.143 19.939 19.000 -0.339 0.000 1.189 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 R N 1.079 121.355 120.500 -0.373 0.000 2.189 466 R HA 0.065 4.405 4.340 0.000 0.000 0.203 466 R C 0.576 176.581 176.300 -0.492 0.000 1.012 466 R CA 1.299 56.811 56.100 -0.979 0.000 1.015 466 R CB 0.094 29.591 30.300 -1.338 0.000 0.938 466 R HN 0.813 nan 8.270 nan 0.000 0.472 467 S N -1.003 114.600 115.700 -0.162 0.000 2.638 467 S HA 0.866 5.336 4.470 0.000 0.000 0.302 467 S C -0.715 173.943 174.600 0.096 0.000 1.096 467 S CA -0.501 57.700 58.200 0.002 0.000 0.953 467 S CB 2.464 65.715 63.200 0.085 0.000 1.107 467 S HN 0.226 nan 8.310 nan 0.000 0.503 468 A N 0.440 123.308 122.820 0.080 0.000 2.581 468 A HA 0.914 5.234 4.320 0.000 0.000 0.290 468 A C -0.600 177.073 177.584 0.148 0.000 1.119 468 A CA -0.520 51.601 52.037 0.140 0.000 0.670 468 A CB 1.071 20.100 19.000 0.047 0.000 1.280 468 A HN 1.550 nan 8.150 nan 0.000 0.425 469 S N -1.075 114.764 115.700 0.232 0.000 2.596 469 S HA 0.563 5.033 4.470 0.000 0.000 0.270 469 S C -0.826 173.864 174.600 0.150 0.000 1.155 469 S CA -0.201 58.125 58.200 0.209 0.000 0.827 469 S CB 1.288 64.646 63.200 0.262 0.000 1.130 469 S HN 1.652 nan 8.310 nan 0.000 0.467 470 V N 3.050 122.917 119.914 -0.079 0.000 2.742 470 V HA 0.258 4.378 4.120 0.000 0.000 0.302 470 V C 1.887 177.806 176.094 -0.291 0.000 1.133 470 V CA 2.065 64.154 62.300 -0.352 0.000 1.284 470 V CB -0.294 30.874 31.823 -1.092 0.000 0.850 470 V HN 1.679 nan 8.190 nan 0.000 0.494 471 G N 3.753 112.363 108.800 -0.316 0.000 2.217 471 G HA2 -0.218 3.742 3.960 0.000 0.000 0.246 471 G HA3 -0.218 3.742 3.960 0.000 0.000 0.246 471 G C 0.918 175.758 174.900 -0.100 0.000 0.990 471 G CA 0.389 45.330 45.100 -0.265 0.000 0.627 471 G HN 1.544 nan 8.290 nan 0.000 0.522 472 A N 0.832 123.684 122.820 0.053 0.000 2.168 472 A HA 0.168 4.488 4.320 0.000 0.000 0.215 472 A C 2.208 179.636 177.584 -0.259 0.000 1.152 472 A CA 1.988 54.074 52.037 0.081 0.000 0.716 472 A CB -0.328 18.905 19.000 0.389 0.000 0.794 472 A HN 0.945 nan 8.150 nan 0.000 0.465 473 Q N 0.557 119.926 119.800 -0.718 0.000 2.508 473 Q HA -0.131 4.209 4.340 0.000 0.000 0.214 473 Q C 0.989 176.607 176.000 -0.636 0.000 0.979 473 Q CA 1.473 56.724 55.803 -0.920 0.000 0.911 473 Q CB -0.445 27.480 28.738 -1.356 0.000 0.969 473 Q HN 0.651 nan 8.270 nan 0.000 0.504 474 K N 0.133 119.980 120.400 -0.922 0.000 2.432 474 K HA 0.049 4.369 4.320 0.000 0.000 0.196 474 K C -0.329 175.429 176.600 -1.404 0.000 1.038 474 K CA 0.354 55.963 56.287 -1.130 0.000 0.986 474 K CB 0.222 31.905 32.500 -1.362 0.000 0.782 474 K HN 0.148 nan 8.250 nan 0.000 0.485 475 F N 2.209 121.738 119.950 -0.703 0.000 2.438 475 F HA 0.258 4.785 4.527 0.000 0.000 0.315 475 F C -2.216 173.393 175.800 -0.320 0.000 1.258 475 F CA -3.770 53.640 58.000 -0.984 0.000 1.180 475 F CB -0.294 38.336 39.000 -0.617 0.000 1.412 475 F HN -0.168 nan 8.300 nan 0.000 0.544 476 P HA -0.108 nan 4.420 nan 0.000 0.270 476 P C 0.246 177.517 177.300 -0.048 0.000 1.181 476 P CA 0.782 63.945 63.100 0.105 0.000 0.767 476 P CB 1.305 33.100 31.700 0.159 0.000 0.799 477 V N 0.822 120.727 119.914 -0.014 0.000 3.497 477 V HA -0.203 3.917 4.120 0.000 0.000 0.484 477 V C -1.607 174.209 176.094 -0.463 0.000 0.682 477 V CA 0.690 62.813 62.300 -0.296 0.000 2.014 477 V CB -2.298 29.020 31.823 -0.842 0.000 2.451 477 V HN 0.814 nan 8.190 nan 0.000 0.502 478 H N 5.283 124.233 119.070 -0.199 0.000 2.621 478 H HA 0.859 5.415 4.556 0.000 0.000 0.360 478 H C -0.112 175.062 175.328 -0.257 0.000 1.163 478 H CA 0.289 56.230 56.048 -0.179 0.000 1.194 478 H CB 1.546 31.257 29.762 -0.085 0.000 1.649 478 H HN 1.144 nan 8.280 nan 0.000 0.532 479 W N 1.235 122.278 121.300 -0.427 0.000 2.736 479 W HA 0.521 5.181 4.660 0.000 0.000 0.335 479 W C 0.554 176.982 176.519 -0.152 0.000 1.059 479 W CA -1.356 55.677 57.345 -0.519 0.000 1.226 479 W CB 1.016 30.079 29.460 -0.662 0.000 1.416 479 W HN 0.705 nan 8.180 nan 0.000 0.505 480 G N 2.503 111.275 108.800 -0.045 0.000 2.657 480 G HA2 0.244 4.204 3.960 0.000 0.000 0.210 480 G HA3 0.244 4.204 3.960 0.000 0.000 0.210 480 G C 0.888 175.784 174.900 -0.007 0.000 1.145 480 G CA 0.839 46.129 45.100 0.317 0.000 0.776 480 G HN 1.703 nan 8.290 nan 0.000 0.540 481 G N 0.128 108.451 108.800 -0.794 0.000 2.593 481 G HA2 -0.238 3.722 3.960 0.000 0.000 0.237 481 G HA3 -0.238 3.722 3.960 0.000 0.000 0.237 481 G C -0.520 174.308 174.900 -0.120 0.000 1.312 481 G CA -0.075 44.607 45.100 -0.696 0.000 0.896 481 G HN 0.276 nan 8.290 nan 0.000 0.574 482 D N 1.581 121.890 120.400 -0.152 0.000 2.508 482 D HA 0.421 5.061 4.640 0.000 0.000 0.224 482 D C 1.272 177.616 176.300 0.073 0.000 1.171 482 D CA 0.526 54.426 54.000 -0.166 0.000 1.006 482 D CB -0.736 39.922 40.800 -0.237 0.000 1.073 482 D HN 0.859 nan 8.370 nan 0.000 0.513 483 C N 0.499 119.913 119.300 0.189 0.000 2.345 483 C HA 0.614 5.074 4.460 0.000 0.000 0.369 483 C C 0.293 175.400 174.990 0.196 0.000 1.273 483 C CA -1.023 58.153 59.018 0.263 0.000 2.310 483 C CB -0.124 27.889 27.740 0.455 0.000 2.219 483 C HN 0.390 nan 8.230 nan 0.000 0.587 484 Y N -0.536 119.964 120.300 0.334 0.000 2.457 484 Y HA 0.521 5.071 4.550 0.000 0.000 0.333 484 Y C 0.844 176.930 175.900 0.311 0.000 1.119 484 Y CA -0.237 58.028 58.100 0.275 0.000 1.143 484 Y CB 1.331 39.924 38.460 0.221 0.000 1.230 484 Y HN 0.923 nan 8.280 nan 0.000 0.469 485 A N 3.265 126.287 122.820 0.337 0.000 3.037 485 A HA 0.315 4.635 4.320 0.000 0.000 0.272 485 A C -0.624 177.133 177.584 0.289 0.000 1.723 485 A CA -0.058 52.124 52.037 0.243 0.000 1.413 485 A CB -1.758 17.299 19.000 0.095 0.000 1.112 485 A HN 0.805 nan 8.150 nan 0.000 0.606 486 N N -2.371 116.579 118.700 0.417 0.000 2.927 486 N HA 0.375 5.115 4.740 0.000 0.000 0.248 486 N C -0.085 175.608 175.510 0.305 0.000 1.443 486 N CA -0.773 52.420 53.050 0.237 0.000 0.870 486 N CB 0.314 38.929 38.487 0.213 0.000 1.444 486 N HN -0.090 nan 8.380 nan 0.000 0.519 487 Y N -0.013 120.499 120.300 0.353 0.000 2.145 487 Y HA -0.060 4.490 4.550 0.000 0.000 0.286 487 Y C 1.781 177.833 175.900 0.254 0.000 1.145 487 Y CA 1.576 59.881 58.100 0.341 0.000 1.148 487 Y CB -0.525 38.144 38.460 0.348 0.000 0.981 487 Y HN 0.677 nan 8.280 nan 0.000 0.507 488 E N -0.526 119.876 120.200 0.337 0.000 2.070 488 E HA -0.216 4.134 4.350 0.000 0.000 0.197 488 E C 2.479 179.193 176.600 0.190 0.000 1.004 488 E CA 1.711 58.225 56.400 0.190 0.000 0.805 488 E CB -0.613 29.177 29.700 0.150 0.000 0.744 488 E HN 0.211 nan 8.360 nan 0.000 0.451 489 S N -0.709 115.153 115.700 0.269 0.000 2.423 489 S HA -0.078 4.392 4.470 0.000 0.000 0.231 489 S C 1.827 176.605 174.600 0.297 0.000 1.014 489 S CA 1.052 59.444 58.200 0.320 0.000 0.965 489 S CB -0.151 63.329 63.200 0.466 0.000 0.785 489 S HN 0.295 nan 8.310 nan 0.000 0.495 490 M N 0.764 120.465 119.600 0.168 0.000 2.132 490 M HA 0.010 4.490 4.480 0.000 0.000 0.263 490 M C 2.100 178.480 176.300 0.133 0.000 1.065 490 M CA 1.515 56.690 55.300 -0.209 0.000 1.122 490 M CB -0.438 31.908 32.600 -0.423 0.000 1.365 490 M HN 0.424 nan 8.290 nan 0.000 0.411 491 A N 1.203 124.111 122.820 0.146 0.000 1.845 491 A HA -0.257 4.063 4.320 0.000 0.000 0.215 491 A C 1.933 179.537 177.584 0.033 0.000 1.195 491 A CA 2.102 54.073 52.037 -0.110 0.000 0.616 491 A CB -1.241 17.518 19.000 -0.402 0.000 0.832 491 A HN 0.772 nan 8.150 nan 0.000 0.443 492 E N 0.041 120.303 120.200 0.104 0.000 2.130 492 E HA -0.202 4.148 4.350 0.000 0.000 0.196 492 E C 1.884 178.688 176.600 0.340 0.000 0.998 492 E CA 1.766 58.282 56.400 0.193 0.000 0.806 492 E CB -0.440 29.374 29.700 0.190 0.000 0.738 492 E HN 0.464 nan 8.360 nan 0.000 0.459 493 S N 0.825 116.740 115.700 0.358 0.000 2.383 493 S HA -0.097 4.373 4.470 0.000 0.000 0.227 493 S C 1.794 176.695 174.600 0.502 0.000 1.026 493 S CA 0.987 59.513 58.200 0.542 0.000 0.981 493 S CB -0.273 63.277 63.200 0.583 0.000 0.818 493 S HN 0.271 nan 8.310 nan 0.000 0.472 494 L N 2.334 123.753 121.223 0.326 0.000 2.093 494 L HA 0.057 4.397 4.340 0.000 0.000 0.208 494 L C 2.129 178.961 176.870 -0.062 0.000 1.085 494 L CA 1.569 56.514 54.840 0.175 0.000 0.755 494 L CB -0.548 41.526 42.059 0.026 0.000 0.904 494 L HN 0.101 nan 8.230 nan 0.000 0.435 495 R N -0.515 119.978 120.500 -0.011 0.000 2.091 495 R HA -0.110 4.230 4.340 0.000 0.000 0.238 495 R C 2.184 178.357 176.300 -0.211 0.000 1.136 495 R CA 1.229 57.283 56.100 -0.077 0.000 0.959 495 R CB -0.994 29.299 30.300 -0.011 0.000 0.856 495 R HN 0.573 nan 8.270 nan 0.000 0.437 496 G N 0.220 108.913 108.800 -0.179 0.000 2.402 496 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 496 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 496 G C 1.502 175.930 174.900 -0.787 0.000 1.162 496 G CA 0.793 45.623 45.100 -0.451 0.000 0.777 496 G HN 0.451 nan 8.290 nan 0.000 0.539 497 G N 0.864 108.877 108.800 -1.313 0.000 2.418 497 G HA2 -0.129 3.831 3.960 0.000 0.000 0.217 497 G HA3 -0.129 3.831 3.960 0.000 0.000 0.217 497 G C 1.810 176.096 174.900 -1.022 0.000 1.158 497 G CA 0.709 44.400 45.100 -2.349 0.000 0.771 497 G HN 0.407 nan 8.290 nan 0.000 0.545 498 L N 0.670 121.524 121.223 -0.615 0.000 1.994 498 L HA -0.113 4.227 4.340 0.000 0.000 0.208 498 L C 3.232 179.922 176.870 -0.301 0.000 1.071 498 L CA 1.364 56.000 54.840 -0.340 0.000 0.745 498 L CB -0.573 41.371 42.059 -0.192 0.000 0.892 498 L HN 0.188 nan 8.230 nan 0.000 0.431 499 S N 0.033 115.541 115.700 -0.320 0.000 2.365 499 S HA -0.238 4.232 4.470 0.000 0.000 0.225 499 S C 1.950 176.386 174.600 -0.274 0.000 1.039 499 S CA 1.626 59.667 58.200 -0.265 0.000 1.033 499 S CB -0.373 62.644 63.200 -0.306 0.000 0.887 499 S HN 0.358 nan 8.310 nan 0.000 0.447 500 I N 1.135 121.468 120.570 -0.395 0.000 2.493 500 I HA -0.113 4.057 4.170 0.000 0.000 0.254 500 I C 2.125 178.158 176.117 -0.140 0.000 1.160 500 I CA 0.983 62.081 61.300 -0.338 0.000 1.445 500 I CB -0.422 37.268 38.000 -0.518 0.000 1.086 500 I HN 0.374 nan 8.210 nan 0.000 0.433 501 G N 0.525 109.213 108.800 -0.186 0.000 2.421 501 G HA2 -0.140 3.820 3.960 0.000 0.000 0.217 501 G HA3 -0.140 3.820 3.960 0.000 0.000 0.217 501 G C 1.508 176.359 174.900 -0.080 0.000 1.143 501 G CA 0.133 45.167 45.100 -0.110 0.000 0.784 501 G HN 0.379 nan 8.290 nan 0.000 0.541 502 L N 1.054 122.221 121.223 -0.093 0.000 2.622 502 L HA 0.110 4.450 4.340 0.000 0.000 0.233 502 L C 1.550 178.441 176.870 0.035 0.000 1.156 502 L CA 0.269 55.076 54.840 -0.055 0.000 0.866 502 L CB 0.353 42.366 42.059 -0.076 0.000 0.980 502 L HN 0.084 nan 8.230 nan 0.000 0.448 503 S N -0.728 114.995 115.700 0.038 0.000 2.664 503 S HA 0.346 4.816 4.470 0.000 0.000 0.245 503 S C 1.225 175.867 174.600 0.071 0.000 1.019 503 S CA 0.386 58.646 58.200 0.100 0.000 0.996 503 S CB 1.027 64.298 63.200 0.118 0.000 0.878 503 S HN 0.528 nan 8.310 nan 0.000 0.493 504 G N 1.292 110.084 108.800 -0.013 0.000 2.175 504 G HA2 -0.250 3.710 3.960 0.000 0.000 0.244 504 G HA3 -0.250 3.710 3.960 0.000 0.000 0.244 504 G C -0.097 174.618 174.900 -0.310 0.000 0.982 504 G CA -0.481 44.560 45.100 -0.099 0.000 0.641 504 G HN 0.475 nan 8.290 nan 0.000 0.527 505 F N 1.041 120.876 119.950 -0.191 0.000 2.411 505 F HA 0.547 5.074 4.527 0.000 0.000 0.350 505 F C 1.637 177.288 175.800 -0.249 0.000 1.114 505 F CA 0.383 58.250 58.000 -0.221 0.000 1.135 505 F CB 1.824 40.675 39.000 -0.248 0.000 1.120 505 F HN 0.004 nan 8.300 nan 0.000 0.495 506 G N 3.022 111.664 108.800 -0.262 0.000 2.603 506 G HA2 0.042 4.002 3.960 0.000 0.000 0.214 506 G HA3 0.042 4.002 3.960 0.000 0.000 0.214 506 G C -0.196 174.194 174.900 -0.851 0.000 1.140 506 G CA 0.283 45.000 45.100 -0.638 0.000 0.800 506 G HN 0.359 nan 8.290 nan 0.000 0.533 507 F N -1.295 118.737 119.950 0.137 0.000 2.539 507 F HA 0.622 5.149 4.527 0.000 0.000 0.318 507 F C -0.889 175.030 175.800 0.197 0.000 1.135 507 F CA -1.732 56.354 58.000 0.143 0.000 0.915 507 F CB 1.752 40.743 39.000 -0.016 0.000 1.176 507 F HN 0.047 nan 8.300 nan 0.000 0.440 508 W N 2.712 124.097 121.300 0.142 0.000 2.936 508 W HA 0.729 5.389 4.660 0.000 0.000 0.338 508 W C -1.078 175.483 176.519 0.069 0.000 1.121 508 W CA -0.789 56.582 57.345 0.045 0.000 1.209 508 W CB 2.147 31.614 29.460 0.012 0.000 1.420 508 W HN 0.513 nan 8.180 nan 0.000 0.516 509 S N 2.095 117.350 115.700 -0.741 0.000 2.740 509 S HA 0.838 5.308 4.470 0.000 0.000 0.300 509 S C -1.457 172.609 174.600 -0.890 0.000 1.147 509 S CA -0.467 57.345 58.200 -0.647 0.000 0.871 509 S CB 1.062 63.942 63.200 -0.533 0.000 1.173 509 S HN 0.724 nan 8.310 nan 0.000 0.510 510 H N -0.988 117.711 119.070 -0.617 0.000 3.037 510 H HA 0.456 5.012 4.556 0.000 0.000 0.336 510 H C -2.063 173.249 175.328 -0.027 0.000 1.323 510 H CA -1.093 54.786 56.048 -0.283 0.000 1.159 510 H CB 0.135 29.675 29.762 -0.370 0.000 1.882 510 H HN 0.309 nan 8.280 nan 0.000 0.535 511 D N 2.173 122.663 120.400 0.150 0.000 2.359 511 D HA 0.158 4.798 4.640 0.000 0.000 0.250 511 D C 0.270 176.409 176.300 -0.267 0.000 1.264 511 D CA 0.022 54.021 54.000 -0.001 0.000 0.911 511 D CB 0.351 41.251 40.800 0.167 0.000 1.056 511 D HN 0.381 nan 8.370 nan 0.000 0.499 512 I N 1.493 121.836 120.570 -0.379 0.000 2.668 512 I HA 0.085 4.255 4.170 0.000 0.000 0.285 512 I C 1.715 177.334 176.117 -0.829 0.000 1.168 512 I CA 0.640 61.561 61.300 -0.631 0.000 1.424 512 I CB 0.346 38.133 38.000 -0.356 0.000 1.377 512 I HN 0.660 nan 8.210 nan 0.000 0.560 513 G N 3.831 111.754 108.800 -1.463 0.000 2.213 513 G HA2 -0.027 3.933 3.960 0.000 0.000 0.236 513 G HA3 -0.027 3.933 3.960 0.000 0.000 0.236 513 G C 0.558 174.908 174.900 -0.915 0.000 0.991 513 G CA -0.141 44.470 45.100 -0.815 0.000 0.629 513 G HN 1.624 nan 8.290 nan 0.000 0.517 514 G N -1.689 106.332 108.800 -1.298 0.000 2.705 514 G HA2 0.183 4.143 3.960 0.000 0.000 0.686 514 G HA3 0.183 4.143 3.960 0.000 0.000 0.686 514 G C 0.172 174.979 174.900 -0.154 0.000 1.285 514 G CA 0.138 44.871 45.100 -0.611 0.000 0.800 514 G HN 1.441 nan 8.290 nan 0.000 0.611 515 F N 0.981 120.864 119.950 -0.112 0.000 2.104 515 F HA 0.302 4.829 4.527 0.000 0.000 0.288 515 F C 1.479 177.220 175.800 -0.099 0.000 1.107 515 F CA 1.403 59.364 58.000 -0.066 0.000 1.208 515 F CB 0.123 39.145 39.000 0.038 0.000 1.033 515 F HN 0.507 nan 8.300 nan 0.000 0.478 516 E N 2.185 122.267 120.200 -0.195 0.000 2.313 516 E HA 0.189 4.539 4.350 0.000 0.000 0.272 516 E C -0.607 175.942 176.600 -0.085 0.000 1.038 516 E CA -0.207 56.005 56.400 -0.313 0.000 0.863 516 E CB 0.762 30.110 29.700 -0.587 0.000 1.060 516 E HN 0.356 nan 8.360 nan 0.000 0.402 517 N N -0.090 118.596 118.700 -0.023 0.000 6.033 517 N HA -0.150 4.590 4.740 0.000 0.000 0.394 517 N C -1.164 174.342 175.510 -0.007 0.000 1.156 517 N CA 0.646 53.729 53.050 0.054 0.000 2.206 517 N CB -0.585 38.020 38.487 0.197 0.000 0.665 517 N HN 0.391 nan 8.380 nan 0.000 0.591 518 T N 0.586 115.140 114.554 -0.001 0.000 2.770 518 T HA 0.743 5.093 4.350 0.000 0.000 0.283 518 T C 0.186 174.912 174.700 0.042 0.000 0.988 518 T CA -0.018 62.071 62.100 -0.018 0.000 0.957 518 T CB 1.036 69.845 68.868 -0.099 0.000 0.930 518 T HN 0.677 nan 8.240 nan 0.000 0.443 519 A N 6.149 129.043 122.820 0.124 0.000 2.425 519 A HA 0.607 4.927 4.320 0.000 0.000 0.249 519 A C -1.969 175.689 177.584 0.124 0.000 1.084 519 A CA -1.293 50.817 52.037 0.122 0.000 0.781 519 A CB -0.163 18.912 19.000 0.125 0.000 1.019 519 A HN 0.534 nan 8.150 nan 0.000 0.490 520 P HA 0.165 nan 4.420 nan 0.000 0.272 520 P C 0.866 178.127 177.300 -0.065 0.000 1.230 520 P CA 0.457 63.510 63.100 -0.079 0.000 0.788 520 P CB 0.857 32.424 31.700 -0.221 0.000 0.949 521 A N 2.532 125.377 122.820 0.042 0.000 1.903 521 A HA -0.278 4.042 4.320 0.000 0.000 0.219 521 A C 2.091 179.665 177.584 -0.017 0.000 1.191 521 A CA 2.589 54.674 52.037 0.080 0.000 0.638 521 A CB -2.181 16.863 19.000 0.073 0.000 0.823 521 A HN 0.840 nan 8.150 nan 0.000 0.451 522 H N -1.628 117.473 119.070 0.052 0.000 2.387 522 H HA -0.019 4.537 4.556 0.000 0.000 0.299 522 H C 1.625 177.127 175.328 0.289 0.000 1.090 522 H CA 1.463 57.572 56.048 0.102 0.000 1.332 522 H CB -0.973 29.029 29.762 0.400 0.000 1.386 522 H HN 0.131 nan 8.280 nan 0.000 0.516 523 V N 0.682 120.539 119.914 -0.094 0.000 2.295 523 V HA -0.290 3.830 4.120 0.000 0.000 0.246 523 V C 2.339 178.560 176.094 0.211 0.000 1.049 523 V CA 2.097 64.397 62.300 0.000 0.000 1.024 523 V CB -0.936 30.703 31.823 -0.306 0.000 0.648 523 V HN 0.497 nan 8.190 nan 0.000 0.447 524 Y N 1.160 121.415 120.300 -0.075 0.000 2.151 524 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 524 Y C 2.489 178.357 175.900 -0.055 0.000 1.166 524 Y CA 2.296 60.265 58.100 -0.217 0.000 1.163 524 Y CB -0.169 37.821 38.460 -0.782 0.000 0.974 524 Y HN 0.123 nan 8.280 nan 0.000 0.511 525 K N 0.109 120.560 120.400 0.085 0.000 1.985 525 K HA -0.156 4.164 4.320 0.000 0.000 0.210 525 K C 2.118 178.849 176.600 0.218 0.000 1.047 525 K CA 1.668 58.016 56.287 0.101 0.000 0.932 525 K CB -0.165 32.324 32.500 -0.018 0.000 0.716 525 K HN 0.105 nan 8.250 nan 0.000 0.439 526 R N -0.285 120.434 120.500 0.365 0.000 2.091 526 R HA -0.161 4.179 4.340 0.000 0.000 0.238 526 R C 2.107 178.556 176.300 0.249 0.000 1.136 526 R CA 1.170 57.465 56.100 0.325 0.000 0.959 526 R CB -0.990 29.561 30.300 0.419 0.000 0.856 526 R HN 0.461 nan 8.270 nan 0.000 0.437 527 W N 1.004 122.367 121.300 0.104 0.000 2.374 527 W HA -0.172 4.488 4.660 0.000 0.000 0.288 527 W C 1.992 178.493 176.519 -0.030 0.000 1.218 527 W CA 0.414 57.831 57.345 0.120 0.000 1.245 527 W CB -0.527 28.972 29.460 0.065 0.000 1.126 527 W HN 0.064 nan 8.180 nan 0.000 0.545 528 C N 0.149 119.487 119.300 0.062 0.000 2.425 528 C HA -0.136 4.324 4.460 0.000 0.000 0.277 528 C C 3.082 178.021 174.990 -0.084 0.000 1.280 528 C CA 1.689 60.655 59.018 -0.087 0.000 1.744 528 C CB -1.547 26.083 27.740 -0.183 0.000 1.989 528 C HN 0.367 nan 8.230 nan 0.000 0.491 529 A N 0.103 122.786 122.820 -0.228 0.000 1.855 529 A HA -0.154 4.166 4.320 0.000 0.000 0.215 529 A C 1.946 179.418 177.584 -0.186 0.000 1.191 529 A CA 1.610 53.191 52.037 -0.759 0.000 0.613 529 A CB -0.894 17.608 19.000 -0.831 0.000 0.829 529 A HN 0.490 nan 8.150 nan 0.000 0.442 530 F N 1.556 121.441 119.950 -0.108 0.000 2.065 530 F HA -0.126 4.401 4.527 0.000 0.000 0.298 530 F C 2.303 178.243 175.800 0.234 0.000 1.112 530 F CA 1.525 59.577 58.000 0.087 0.000 1.212 530 F CB -1.157 37.869 39.000 0.044 0.000 0.975 530 F HN 0.181 nan 8.300 nan 0.000 0.476 531 G N 1.026 109.861 108.800 0.058 0.000 2.469 531 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 531 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 531 G C 1.656 176.533 174.900 -0.038 0.000 1.150 531 G CA 0.920 45.911 45.100 -0.180 0.000 0.763 531 G HN 0.389 nan 8.290 nan 0.000 0.561 532 L N -0.193 121.056 121.223 0.044 0.000 2.313 532 L HA 0.175 4.515 4.340 0.000 0.000 0.214 532 L C 1.508 178.490 176.870 0.188 0.000 1.119 532 L CA 0.633 55.547 54.840 0.124 0.000 0.809 532 L CB -0.570 41.605 42.059 0.193 0.000 0.933 532 L HN 0.149 nan 8.230 nan 0.000 0.449 533 L N -0.593 120.761 121.223 0.218 0.000 2.928 533 L HA 0.231 4.571 4.340 0.000 0.000 0.236 533 L C 0.349 177.472 176.870 0.421 0.000 1.290 533 L CA 0.299 55.329 54.840 0.317 0.000 1.099 533 L CB -0.718 41.529 42.059 0.314 0.000 1.437 533 L HN 0.003 nan 8.230 nan 0.000 0.493 534 S N -1.802 114.085 115.700 0.311 0.000 2.599 534 S HA 0.318 4.788 4.470 0.000 0.000 0.294 534 S C 1.141 175.910 174.600 0.280 0.000 1.094 534 S CA -0.047 58.336 58.200 0.305 0.000 0.931 534 S CB 2.062 65.405 63.200 0.238 0.000 1.093 534 S HN 0.401 nan 8.310 nan 0.000 0.488 535 S N 1.107 117.015 115.700 0.345 0.000 2.374 535 S HA -0.147 4.323 4.470 0.000 0.000 0.227 535 S C 0.213 174.852 174.600 0.064 0.000 1.037 535 S CA 1.367 59.816 58.200 0.416 0.000 1.024 535 S CB -0.464 63.148 63.200 0.688 0.000 0.861 535 S HN 0.766 nan 8.310 nan 0.000 0.456 536 H N 0.112 119.205 119.070 0.038 0.000 2.600 536 H HA 0.708 5.264 4.556 0.000 0.000 0.357 536 H C -1.030 174.225 175.328 -0.122 0.000 1.106 536 H CA -0.474 55.512 56.048 -0.103 0.000 1.193 536 H CB 2.093 31.691 29.762 -0.275 0.000 1.594 536 H HN 0.167 nan 8.280 nan 0.000 0.526 537 S N 2.857 118.542 115.700 -0.026 0.000 2.502 537 S HA 0.622 5.092 4.470 0.000 0.000 0.304 537 S C -0.532 174.041 174.600 -0.045 0.000 1.097 537 S CA -0.959 57.203 58.200 -0.064 0.000 1.045 537 S CB 1.726 64.946 63.200 0.033 0.000 1.019 537 S HN 0.568 nan 8.310 nan 0.000 0.481 538 R N 2.432 122.845 120.500 -0.145 0.000 2.564 538 R HA 0.457 4.797 4.340 0.000 0.000 0.284 538 R C -1.879 174.350 176.300 -0.118 0.000 1.031 538 R CA -0.621 55.409 56.100 -0.117 0.000 0.904 538 R CB 0.935 31.051 30.300 -0.307 0.000 1.199 538 R HN 0.637 nan 8.270 nan 0.000 0.443 539 L N 4.661 125.854 121.223 -0.051 0.000 2.259 539 L HA 0.410 4.750 4.340 0.000 0.000 0.288 539 L C -0.597 176.276 176.870 0.005 0.000 1.051 539 L CA -0.437 54.370 54.840 -0.055 0.000 0.824 539 L CB 0.798 42.832 42.059 -0.041 0.000 1.206 539 L HN 0.619 nan 8.230 nan 0.000 0.429 540 H N 2.313 121.318 119.070 -0.109 0.000 2.974 540 H HA 0.752 5.308 4.556 0.000 0.000 0.366 540 H C -0.729 174.609 175.328 0.016 0.000 1.155 540 H CA -0.370 55.650 56.048 -0.046 0.000 1.186 540 H CB 2.067 31.779 29.762 -0.084 0.000 1.799 540 H HN 0.542 nan 8.280 nan 0.000 0.541 541 G N 1.188 109.609 108.800 -0.632 0.000 2.694 541 G HA2 0.362 4.322 3.960 0.000 0.000 0.290 541 G HA3 0.362 4.322 3.960 0.000 0.000 0.290 541 G C -0.218 174.274 174.900 -0.679 0.000 1.386 541 G CA -0.049 44.756 45.100 -0.491 0.000 0.872 541 G HN 0.631 nan 8.290 nan 0.000 0.475 542 S N -0.711 114.483 115.700 -0.844 0.000 2.315 542 S HA 0.056 4.526 4.470 0.000 0.000 0.211 542 S C 1.714 176.143 174.600 -0.286 0.000 1.029 542 S CA 1.246 58.964 58.200 -0.802 0.000 0.956 542 S CB -0.201 62.268 63.200 -1.219 0.000 0.918 542 S HN 0.478 nan 8.310 nan 0.000 0.470 543 K N 0.891 121.112 120.400 -0.297 0.000 2.358 543 K HA 0.237 4.557 4.320 0.000 0.000 0.200 543 K C -0.096 176.328 176.600 -0.294 0.000 1.030 543 K CA 0.027 56.173 56.287 -0.235 0.000 1.097 543 K CB 0.904 33.300 32.500 -0.173 0.000 0.862 543 K HN 0.410 nan 8.250 nan 0.000 0.534 544 S N -0.250 115.259 115.700 -0.318 0.000 2.549 544 S HA 0.432 4.902 4.470 0.000 0.000 0.280 544 S C -0.566 173.843 174.600 -0.318 0.000 1.109 544 S CA -1.003 56.985 58.200 -0.353 0.000 0.905 544 S CB 0.705 63.755 63.200 -0.251 0.000 1.081 544 S HN 0.008 nan 8.310 nan 0.000 0.477 545 Y N 1.242 121.469 120.300 -0.122 0.000 2.459 545 Y HA 0.358 4.908 4.550 0.000 0.000 0.349 545 Y C 1.855 177.621 175.900 -0.223 0.000 1.266 545 Y CA -0.586 57.407 58.100 -0.180 0.000 1.483 545 Y CB 0.476 38.826 38.460 -0.183 0.000 1.362 545 Y HN 0.585 nan 8.280 nan 0.000 0.628 546 R N 0.737 121.191 120.500 -0.077 0.000 2.509 546 R HA 0.164 4.505 4.340 0.000 0.000 0.300 546 R C -0.771 175.454 176.300 -0.125 0.000 0.985 546 R CA -0.124 55.968 56.100 -0.013 0.000 1.092 546 R CB -0.515 29.787 30.300 0.002 0.000 1.237 546 R HN 0.521 nan 8.270 nan 0.000 0.546 547 V N -0.184 119.435 119.914 -0.491 0.000 2.599 547 V HA 0.101 4.221 4.120 0.000 0.000 0.300 547 V C -1.509 174.215 176.094 -0.616 0.000 1.034 547 V CA -1.186 60.601 62.300 -0.855 0.000 1.115 547 V CB 0.709 31.462 31.823 -1.784 0.000 0.934 547 V HN -0.065 nan 8.190 nan 0.000 0.485 548 P HA -0.154 nan 4.420 nan 0.000 0.218 548 P C 1.159 178.495 177.300 0.060 0.000 1.152 548 P CA 2.383 65.502 63.100 0.033 0.000 0.857 548 P CB -0.126 31.710 31.700 0.226 0.000 0.787 549 W N -1.315 120.022 121.300 0.063 0.000 3.077 549 W HA 0.395 5.055 4.660 0.000 0.000 0.245 549 W C 1.544 178.055 176.519 -0.012 0.000 1.316 549 W CA 0.380 57.746 57.345 0.035 0.000 1.537 549 W CB -1.502 27.976 29.460 0.029 0.000 1.131 549 W HN -0.147 nan 8.180 nan 0.000 0.695 550 A N -0.506 122.171 122.820 -0.237 0.000 2.169 550 A HA 0.078 4.398 4.320 0.000 0.000 0.212 550 A C 1.206 178.484 177.584 -0.510 0.000 1.153 550 A CA 0.808 52.641 52.037 -0.340 0.000 0.756 550 A CB -0.569 18.131 19.000 -0.501 0.000 0.813 550 A HN 0.453 nan 8.150 nan 0.000 0.471 551 Y N 0.069 120.205 120.300 -0.273 0.000 2.439 551 Y HA 0.306 4.856 4.550 0.000 0.000 0.281 551 Y C 0.588 176.431 175.900 -0.095 0.000 1.145 551 Y CA 0.225 58.176 58.100 -0.248 0.000 1.252 551 Y CB 0.333 38.520 38.460 -0.455 0.000 1.271 551 Y HN 0.499 nan 8.280 nan 0.000 0.516 552 D N -2.844 117.635 120.400 0.132 0.000 2.769 552 D HA 0.030 4.670 4.640 0.000 0.000 0.309 552 D C -0.326 176.058 176.300 0.140 0.000 1.315 552 D CA -0.350 53.718 54.000 0.113 0.000 0.780 552 D CB 0.072 40.923 40.800 0.086 0.000 1.312 552 D HN -0.050 nan 8.370 nan 0.000 0.437 553 D N -0.167 120.304 120.400 0.119 0.000 2.117 553 D HA -0.140 4.500 4.640 0.000 0.000 0.198 553 D C 1.309 177.685 176.300 0.127 0.000 0.982 553 D CA 1.142 55.216 54.000 0.123 0.000 0.828 553 D CB 0.222 41.078 40.800 0.093 0.000 0.967 553 D HN 0.637 nan 8.370 nan 0.000 0.464 554 E N 0.823 121.089 120.200 0.110 0.000 2.204 554 E HA -0.115 4.235 4.350 0.000 0.000 0.195 554 E C 1.885 178.565 176.600 0.134 0.000 0.990 554 E CA 0.542 57.010 56.400 0.114 0.000 0.821 554 E CB 0.222 29.980 29.700 0.097 0.000 0.750 554 E HN -0.026 nan 8.360 nan 0.000 0.477 555 S N -0.240 115.548 115.700 0.146 0.000 2.382 555 S HA -0.171 4.299 4.470 0.000 0.000 0.228 555 S C 2.002 176.751 174.600 0.249 0.000 1.027 555 S CA 1.047 59.379 58.200 0.220 0.000 0.991 555 S CB -0.256 63.090 63.200 0.243 0.000 0.823 555 S HN 0.481 nan 8.310 nan 0.000 0.469 556 C N 1.917 121.353 119.300 0.226 0.000 2.440 556 C HA -0.053 4.407 4.460 0.000 0.000 0.278 556 C C 2.399 177.504 174.990 0.190 0.000 1.295 556 C CA 0.298 59.454 59.018 0.229 0.000 1.738 556 C CB -1.178 26.701 27.740 0.231 0.000 1.987 556 C HN 0.559 nan 8.230 nan 0.000 0.492 557 D N 0.761 121.260 120.400 0.165 0.000 2.117 557 D HA -0.092 4.548 4.640 0.000 0.000 0.198 557 D C 2.200 178.604 176.300 0.173 0.000 0.982 557 D CA 1.065 55.151 54.000 0.143 0.000 0.828 557 D CB -0.489 40.377 40.800 0.111 0.000 0.967 557 D HN 0.299 nan 8.370 nan 0.000 0.464 558 V N 0.995 121.036 119.914 0.211 0.000 2.295 558 V HA -0.208 3.912 4.120 0.000 0.000 0.246 558 V C 2.731 179.047 176.094 0.371 0.000 1.049 558 V CA 1.069 63.555 62.300 0.310 0.000 1.024 558 V CB -0.533 31.495 31.823 0.341 0.000 0.648 558 V HN 0.045 nan 8.190 nan 0.000 0.447 559 V N -0.144 119.935 119.914 0.275 0.000 2.332 559 V HA -0.289 3.831 4.120 0.000 0.000 0.248 559 V C 2.584 178.807 176.094 0.215 0.000 1.055 559 V CA 2.490 64.933 62.300 0.238 0.000 1.038 559 V CB -0.754 31.182 31.823 0.188 0.000 0.651 559 V HN 0.484 nan 8.190 nan 0.000 0.450 560 R N -0.924 119.684 120.500 0.180 0.000 2.066 560 R HA -0.185 4.155 4.340 0.000 0.000 0.232 560 R C 2.298 178.645 176.300 0.077 0.000 1.131 560 R CA 2.015 58.188 56.100 0.122 0.000 0.955 560 R CB -0.413 29.951 30.300 0.106 0.000 0.851 560 R HN 0.483 nan 8.270 nan 0.000 0.432 561 F N 0.378 120.271 119.950 -0.096 0.000 2.069 561 F HA -0.242 4.285 4.527 0.000 0.000 0.298 561 F C 1.623 177.205 175.800 -0.364 0.000 1.113 561 F CA 1.748 59.563 58.000 -0.307 0.000 1.214 561 F CB -0.315 38.384 39.000 -0.502 0.000 0.978 561 F HN -0.031 nan 8.300 nan 0.000 0.474 562 F N 0.140 120.158 119.950 0.113 0.000 2.259 562 F HA -0.111 4.416 4.527 0.000 0.000 0.298 562 F C 2.540 178.331 175.800 -0.014 0.000 1.088 562 F CA 1.590 59.602 58.000 0.020 0.000 1.358 562 F CB -1.435 37.668 39.000 0.171 0.000 1.040 562 F HN -0.124 nan 8.300 nan 0.000 0.505 563 T N -0.599 114.065 114.554 0.183 0.000 2.746 563 T HA -0.219 4.131 4.350 0.000 0.000 0.267 563 T C 1.936 176.685 174.700 0.081 0.000 1.039 563 T CA 1.459 63.654 62.100 0.159 0.000 1.142 563 T CB -0.295 68.673 68.868 0.168 0.000 0.866 563 T HN 0.303 nan 8.240 nan 0.000 0.444 564 Q N 0.068 119.849 119.800 -0.031 0.000 2.050 564 Q HA -0.034 4.306 4.340 0.000 0.000 0.202 564 Q C 2.343 178.253 176.000 -0.149 0.000 0.980 564 Q CA 1.026 56.770 55.803 -0.098 0.000 0.840 564 Q CB -0.333 28.294 28.738 -0.185 0.000 0.898 564 Q HN 0.307 nan 8.270 nan 0.000 0.424 565 L N 1.318 122.366 121.223 -0.291 0.000 2.079 565 L HA -0.209 4.131 4.340 0.000 0.000 0.210 565 L C 2.115 178.959 176.870 -0.042 0.000 1.081 565 L CA 1.884 56.557 54.840 -0.277 0.000 0.752 565 L CB -0.353 41.440 42.059 -0.443 0.000 0.896 565 L HN 0.030 nan 8.230 nan 0.000 0.433 566 K N -1.359 119.070 120.400 0.047 0.000 2.057 566 K HA -0.160 4.160 4.320 0.000 0.000 0.206 566 K C 2.090 178.760 176.600 0.116 0.000 1.050 566 K CA 1.691 58.049 56.287 0.119 0.000 0.935 566 K CB -0.271 32.327 32.500 0.163 0.000 0.715 566 K HN 0.508 nan 8.250 nan 0.000 0.439 567 C N 0.654 120.023 119.300 0.116 0.000 2.432 567 C HA 0.024 4.484 4.460 0.000 0.000 0.280 567 C C 2.418 177.549 174.990 0.235 0.000 1.353 567 C CA 0.394 59.521 59.018 0.182 0.000 1.766 567 C CB -0.872 26.960 27.740 0.154 0.000 1.924 567 C HN 0.443 nan 8.230 nan 0.000 0.509 568 R N 0.067 120.638 120.500 0.118 0.000 2.236 568 R HA 0.109 4.449 4.340 0.000 0.000 0.208 568 R C 1.896 178.263 176.300 0.111 0.000 1.036 568 R CA 0.813 56.982 56.100 0.115 0.000 1.001 568 R CB -0.165 30.137 30.300 0.004 0.000 0.896 568 R HN 0.579 nan 8.270 nan 0.000 0.464 569 M N -0.293 119.360 119.600 0.088 0.000 2.541 569 M HA 0.035 4.515 4.480 0.000 0.000 0.252 569 M C 1.614 177.927 176.300 0.021 0.000 1.125 569 M CA 0.436 55.786 55.300 0.084 0.000 1.091 569 M CB 0.182 32.858 32.600 0.126 0.000 1.420 569 M HN -0.000 nan 8.290 nan 0.000 0.486 570 M N 0.192 119.759 119.600 -0.054 0.000 2.255 570 M HA -0.149 4.331 4.480 0.000 0.000 0.259 570 M C -0.823 175.001 176.300 -0.794 0.000 1.071 570 M CA 1.855 56.940 55.300 -0.360 0.000 1.074 570 M CB -2.185 30.269 32.600 -0.245 0.000 1.384 570 M HN 0.014 nan 8.290 nan 0.000 0.415 571 P HA -0.165 nan 4.420 nan 0.000 0.216 571 P C 1.557 178.685 177.300 -0.287 0.000 1.153 571 P CA 1.180 63.943 63.100 -0.561 0.000 0.848 571 P CB -0.249 31.344 31.700 -0.179 0.000 0.787 572 Y N -0.117 120.041 120.300 -0.236 0.000 2.153 572 Y HA -0.097 4.453 4.550 0.000 0.000 0.289 572 Y C 1.979 177.783 175.900 -0.161 0.000 1.119 572 Y CA 1.144 59.165 58.100 -0.132 0.000 1.116 572 Y CB -1.171 37.257 38.460 -0.054 0.000 1.004 572 Y HN -0.295 nan 8.280 nan 0.000 0.501 573 L N -0.070 121.018 121.223 -0.224 0.000 2.021 573 L HA -0.289 4.051 4.340 0.000 0.000 0.215 573 L C 2.288 178.915 176.870 -0.405 0.000 1.074 573 L CA 1.960 56.617 54.840 -0.306 0.000 0.760 573 L CB -1.824 40.164 42.059 -0.118 0.000 0.889 573 L HN 0.435 nan 8.230 nan 0.000 0.433 574 Y N -0.382 119.508 120.300 -0.683 0.000 2.497 574 Y HA -0.201 4.349 4.550 0.000 0.000 0.292 574 Y C 2.631 178.261 175.900 -0.450 0.000 1.137 574 Y CA 1.138 58.806 58.100 -0.720 0.000 1.285 574 Y CB -0.127 37.711 38.460 -1.037 0.000 0.991 574 Y HN 0.122 nan 8.280 nan 0.000 0.556 575 R N 0.451 120.719 120.500 -0.386 0.000 2.100 575 R HA -0.032 4.309 4.340 0.000 0.000 0.220 575 R C 1.741 177.859 176.300 -0.304 0.000 1.091 575 R CA 1.507 57.427 56.100 -0.299 0.000 0.986 575 R CB -0.310 29.862 30.300 -0.213 0.000 0.888 575 R HN 0.094 nan 8.270 nan 0.000 0.444 576 E N 0.293 120.266 120.200 -0.378 0.000 2.338 576 E HA -0.042 4.308 4.350 0.000 0.000 0.197 576 E C 1.598 178.096 176.600 -0.169 0.000 1.007 576 E CA 1.101 57.322 56.400 -0.299 0.000 0.849 576 E CB -0.099 29.364 29.700 -0.396 0.000 0.774 576 E HN 0.456 nan 8.360 nan 0.000 0.506 577 A N 1.114 123.830 122.820 -0.173 0.000 1.970 577 A HA 0.141 4.461 4.320 0.000 0.000 0.216 577 A C 2.339 179.906 177.584 -0.028 0.000 1.170 577 A CA 1.194 53.265 52.037 0.057 0.000 0.645 577 A CB -0.227 18.770 19.000 -0.005 0.000 0.816 577 A HN 0.230 nan 8.150 nan 0.000 0.447 578 A N -0.213 122.465 122.820 -0.236 0.000 2.067 578 A HA -0.085 4.235 4.320 0.000 0.000 0.219 578 A C 2.174 179.695 177.584 -0.105 0.000 1.158 578 A CA 1.229 53.160 52.037 -0.178 0.000 0.661 578 A CB -0.389 18.488 19.000 -0.204 0.000 0.801 578 A HN 0.517 nan 8.150 nan 0.000 0.452 579 R N -0.660 119.770 120.500 -0.117 0.000 2.090 579 R HA -0.018 4.322 4.340 0.000 0.000 0.228 579 R C 2.479 178.710 176.300 -0.115 0.000 1.110 579 R CA 1.032 57.066 56.100 -0.111 0.000 0.973 579 R CB -0.356 29.871 30.300 -0.121 0.000 0.869 579 R HN 0.503 nan 8.270 nan 0.000 0.440 580 A N 1.590 124.332 122.820 -0.129 0.000 1.902 580 A HA -0.205 4.115 4.320 0.000 0.000 0.217 580 A C 1.896 179.393 177.584 -0.145 0.000 1.181 580 A CA 1.595 53.504 52.037 -0.214 0.000 0.623 580 A CB -0.665 18.054 19.000 -0.469 0.000 0.818 580 A HN 0.370 nan 8.150 nan 0.000 0.443 581 N N -0.133 118.541 118.700 -0.044 0.000 2.494 581 N HA 0.047 4.787 4.740 0.000 0.000 0.182 581 N C 1.445 176.915 175.510 -0.066 0.000 1.076 581 N CA 1.087 54.121 53.050 -0.027 0.000 0.908 581 N CB -0.034 38.477 38.487 0.040 0.000 0.967 581 N HN 0.392 nan 8.380 nan 0.000 0.449 582 A N 0.379 123.152 122.820 -0.079 0.000 1.963 582 A HA 0.257 4.577 4.320 0.000 0.000 0.207 582 A C 1.894 179.424 177.584 -0.091 0.000 1.243 582 A CA 0.099 52.089 52.037 -0.078 0.000 0.728 582 A CB 0.298 19.256 19.000 -0.071 0.000 0.895 582 A HN 0.187 nan 8.150 nan 0.000 0.467 583 R N -1.422 119.017 120.500 -0.102 0.000 2.535 583 R HA 0.264 4.604 4.340 0.000 0.000 0.323 583 R C 0.907 177.135 176.300 -0.120 0.000 0.979 583 R CA 0.475 56.513 56.100 -0.103 0.000 1.120 583 R CB 0.669 30.914 30.300 -0.092 0.000 1.306 583 R HN 0.632 nan 8.270 nan 0.000 0.540 584 G N 1.621 110.334 108.800 -0.145 0.000 2.166 584 G HA2 -0.293 3.667 3.960 0.000 0.000 0.260 584 G HA3 -0.293 3.667 3.960 0.000 0.000 0.260 584 G C 0.190 174.991 174.900 -0.164 0.000 0.986 584 G CA 0.754 45.750 45.100 -0.172 0.000 0.683 584 G HN 0.281 nan 8.290 nan 0.000 0.527 585 T N 3.489 117.953 114.554 -0.151 0.000 2.779 585 T HA 0.472 4.822 4.350 0.000 0.000 0.296 585 T C -1.684 172.909 174.700 -0.179 0.000 0.938 585 T CA -0.349 61.668 62.100 -0.139 0.000 1.119 585 T CB 1.982 70.781 68.868 -0.116 0.000 0.891 585 T HN 0.319 nan 8.240 nan 0.000 0.526 586 P HA 0.197 nan 4.420 nan 0.000 0.279 586 P C 0.908 178.129 177.300 -0.131 0.000 1.239 586 P CA -0.504 62.469 63.100 -0.211 0.000 0.789 586 P CB 0.923 32.527 31.700 -0.159 0.000 0.933 587 M N 1.583 121.105 119.600 -0.131 0.000 2.082 587 M HA -0.126 4.354 4.480 0.000 0.000 0.258 587 M C 1.469 177.830 176.300 0.102 0.000 1.069 587 M CA 2.047 57.364 55.300 0.027 0.000 1.102 587 M CB -0.269 32.433 32.600 0.170 0.000 1.336 587 M HN 0.407 nan 8.290 nan 0.000 0.404 588 M N 1.240 120.892 119.600 0.088 0.000 2.077 588 M HA 0.230 4.710 4.480 0.000 0.000 0.348 588 M C -0.936 175.382 176.300 0.029 0.000 1.252 588 M CA 0.092 55.441 55.300 0.081 0.000 1.096 588 M CB 0.444 33.021 32.600 -0.037 0.000 1.568 588 M HN 0.035 nan 8.290 nan 0.000 0.456 589 R N 3.740 124.311 120.500 0.120 0.000 2.562 589 R HA 0.697 5.037 4.340 0.000 0.000 0.298 589 R C -0.461 175.898 176.300 0.098 0.000 0.961 589 R CA -0.804 55.335 56.100 0.065 0.000 0.881 589 R CB 1.631 31.965 30.300 0.056 0.000 1.159 589 R HN 0.793 nan 8.270 nan 0.000 0.450 590 A N 3.317 126.143 122.820 0.009 0.000 2.483 590 A HA 0.082 4.402 4.320 0.000 0.000 0.238 590 A C 1.267 178.879 177.584 0.047 0.000 1.070 590 A CA -0.242 51.800 52.037 0.009 0.000 0.770 590 A CB 0.222 19.167 19.000 -0.092 0.000 1.008 590 A HN 0.780 nan 8.150 nan 0.000 0.497 591 M N 1.693 121.340 119.600 0.079 0.000 2.108 591 M HA -0.208 4.272 4.480 0.000 0.000 0.261 591 M C 2.083 178.466 176.300 0.139 0.000 1.066 591 M CA 2.353 57.744 55.300 0.151 0.000 1.107 591 M CB -1.512 31.128 32.600 0.066 0.000 1.356 591 M HN 0.999 nan 8.290 nan 0.000 0.406 592 M N -0.766 118.823 119.600 -0.018 0.000 2.260 592 M HA -0.160 4.320 4.480 0.000 0.000 0.261 592 M C 2.073 178.301 176.300 -0.121 0.000 1.066 592 M CA 1.843 57.082 55.300 -0.101 0.000 1.082 592 M CB -1.154 31.270 32.600 -0.293 0.000 1.388 592 M HN 0.273 nan 8.290 nan 0.000 0.419 593 M N -0.369 119.153 119.600 -0.131 0.000 2.200 593 M HA -0.121 4.359 4.480 0.000 0.000 0.265 593 M C 1.952 178.194 176.300 -0.096 0.000 1.066 593 M CA 1.970 57.190 55.300 -0.133 0.000 1.127 593 M CB -0.023 32.500 32.600 -0.129 0.000 1.379 593 M HN 0.450 nan 8.290 nan 0.000 0.420 594 E N 0.042 120.218 120.200 -0.041 0.000 2.170 594 E HA -0.015 4.335 4.350 0.000 0.000 0.191 594 E C -0.263 176.040 176.600 -0.494 0.000 0.981 594 E CA 1.011 57.276 56.400 -0.226 0.000 0.830 594 E CB 0.172 29.793 29.700 -0.132 0.000 0.775 594 E HN 0.506 nan 8.360 nan 0.000 0.470 595 F N 1.156 121.112 119.950 0.011 0.000 2.530 595 F HA 0.337 4.864 4.527 0.000 0.000 0.318 595 F C -1.731 174.060 175.800 -0.015 0.000 1.356 595 F CA -2.213 55.802 58.000 0.026 0.000 1.135 595 F CB 1.298 40.344 39.000 0.078 0.000 1.315 595 F HN 0.004 nan 8.300 nan 0.000 0.549 596 P HA -0.204 nan 4.420 nan 0.000 0.217 596 P C 0.490 177.800 177.300 0.018 0.000 1.148 596 P CA 1.615 64.709 63.100 -0.010 0.000 0.828 596 P CB 0.418 32.089 31.700 -0.050 0.000 0.783 597 D N -0.834 119.597 120.400 0.052 0.000 2.339 597 D HA 0.005 4.645 4.640 0.000 0.000 0.217 597 D C 0.342 176.684 176.300 0.070 0.000 1.050 597 D CA 0.451 54.483 54.000 0.052 0.000 0.856 597 D CB -0.094 40.737 40.800 0.051 0.000 0.922 597 D HN 0.203 nan 8.370 nan 0.000 0.518 598 D N 1.487 121.943 120.400 0.094 0.000 2.317 598 D HA 0.079 4.719 4.640 0.000 0.000 0.234 598 D C -1.405 174.892 176.300 -0.004 0.000 1.112 598 D CA -2.024 52.019 54.000 0.071 0.000 0.840 598 D CB 2.215 43.089 40.800 0.122 0.000 1.078 598 D HN -0.076 nan 8.370 nan 0.000 0.486 599 P HA -0.085 nan 4.420 nan 0.000 0.225 599 P C 0.787 178.041 177.300 -0.076 0.000 1.148 599 P CA 0.449 63.531 63.100 -0.029 0.000 0.779 599 P CB 0.326 32.025 31.700 -0.002 0.000 0.780 600 A N -0.967 121.738 122.820 -0.191 0.000 2.169 600 A HA 0.027 4.347 4.320 0.000 0.000 0.212 600 A C 2.046 179.377 177.584 -0.422 0.000 1.153 600 A CA 0.526 52.337 52.037 -0.376 0.000 0.756 600 A CB -1.184 17.314 19.000 -0.837 0.000 0.813 600 A HN 0.256 nan 8.150 nan 0.000 0.471 601 C N -0.061 119.070 119.300 -0.280 0.000 2.697 601 C HA 0.071 4.531 4.460 0.000 0.000 0.267 601 C C 1.751 176.697 174.990 -0.073 0.000 1.278 601 C CA -0.214 58.700 59.018 -0.173 0.000 1.708 601 C CB -0.885 26.810 27.740 -0.075 0.000 1.860 601 C HN 0.555 nan 8.230 nan 0.000 0.589 602 D N 1.248 121.602 120.400 -0.077 0.000 2.103 602 D HA -0.158 4.482 4.640 0.000 0.000 0.190 602 D C 1.060 177.256 176.300 -0.173 0.000 0.997 602 D CA 1.806 55.716 54.000 -0.149 0.000 0.833 602 D CB -0.268 40.342 40.800 -0.317 0.000 0.961 602 D HN 0.568 nan 8.370 nan 0.000 0.447 603 Y N 0.186 120.523 120.300 0.061 0.000 2.493 603 Y HA 0.259 4.809 4.550 0.000 0.000 0.275 603 Y C 0.554 176.494 175.900 0.067 0.000 1.183 603 Y CA -0.337 57.796 58.100 0.056 0.000 1.258 603 Y CB -0.062 38.408 38.460 0.017 0.000 1.108 603 Y HN -0.183 nan 8.280 nan 0.000 0.521 604 L N 2.841 124.164 121.223 0.167 0.000 2.530 604 L HA 0.032 4.372 4.340 0.000 0.000 0.273 604 L C 0.378 177.312 176.870 0.106 0.000 1.141 604 L CA 0.286 55.204 54.840 0.130 0.000 0.905 604 L CB 0.395 42.476 42.059 0.037 0.000 1.202 604 L HN 0.348 nan 8.230 nan 0.000 0.473 605 D N 1.592 122.054 120.400 0.103 0.000 2.514 605 D HA -0.013 4.627 4.640 0.000 0.000 0.225 605 D C 1.254 177.584 176.300 0.049 0.000 1.159 605 D CA -0.127 53.911 54.000 0.063 0.000 0.823 605 D CB 0.289 41.111 40.800 0.037 0.000 1.097 605 D HN 0.384 nan 8.370 nan 0.000 0.519 606 R N 0.456 121.000 120.500 0.073 0.000 2.334 606 R HA 0.184 4.524 4.340 0.000 0.000 0.216 606 R C 0.524 176.940 176.300 0.194 0.000 0.905 606 R CA 0.156 56.317 56.100 0.101 0.000 1.064 606 R CB 0.398 30.741 30.300 0.071 0.000 1.046 606 R HN 0.427 nan 8.270 nan 0.000 0.508 607 Q N -0.211 119.677 119.800 0.146 0.000 2.511 607 Q HA 0.430 4.770 4.340 0.000 0.000 0.289 607 Q C -1.364 174.744 176.000 0.181 0.000 1.021 607 Q CA -1.164 54.685 55.803 0.077 0.000 0.785 607 Q CB 1.684 30.399 28.738 -0.038 0.000 1.472 607 Q HN 0.063 nan 8.270 nan 0.000 0.411 608 Y N -1.918 118.386 120.300 0.005 0.000 2.764 608 Y HA 0.722 5.272 4.550 0.000 0.000 0.331 608 Y C -1.501 174.443 175.900 0.073 0.000 1.280 608 Y CA -1.578 56.548 58.100 0.043 0.000 1.065 608 Y CB 1.374 39.876 38.460 0.070 0.000 1.319 608 Y HN 0.515 nan 8.280 nan 0.000 0.453 609 M N 2.676 122.467 119.600 0.318 0.000 2.294 609 M HA 0.387 4.867 4.480 0.000 0.000 0.335 609 M C -1.538 174.986 176.300 0.373 0.000 1.079 609 M CA -0.735 54.722 55.300 0.262 0.000 0.982 609 M CB 1.627 34.400 32.600 0.287 0.000 1.651 609 M HN 0.733 nan 8.290 nan 0.000 0.437 610 L N 3.707 125.125 121.223 0.326 0.000 2.283 610 L HA 0.709 5.049 4.340 0.000 0.000 0.281 610 L C 0.346 177.403 176.870 0.312 0.000 1.033 610 L CA 0.658 55.724 54.840 0.376 0.000 0.848 610 L CB 0.304 42.607 42.059 0.407 0.000 1.226 610 L HN 0.948 nan 8.230 nan 0.000 0.429 611 G N 3.944 112.855 108.800 0.186 0.000 2.741 611 G HA2 -0.254 3.706 3.960 0.000 0.000 0.222 611 G HA3 -0.254 3.706 3.960 0.000 0.000 0.222 611 G C 0.281 175.267 174.900 0.144 0.000 1.364 611 G CA -0.022 45.113 45.100 0.058 0.000 0.866 611 G HN 0.544 nan 8.290 nan 0.000 0.555 612 D N 0.346 120.809 120.400 0.105 0.000 2.178 612 D HA -0.058 4.582 4.640 0.000 0.000 0.202 612 D C 2.047 178.446 176.300 0.164 0.000 0.974 612 D CA 1.430 55.489 54.000 0.098 0.000 0.841 612 D CB -0.015 40.810 40.800 0.042 0.000 0.953 612 D HN 0.385 nan 8.370 nan 0.000 0.478 613 N N 0.098 118.961 118.700 0.272 0.000 2.282 613 N HA 0.010 4.750 4.740 0.000 0.000 0.185 613 N C 0.351 175.923 175.510 0.103 0.000 1.099 613 N CA 0.059 53.184 53.050 0.126 0.000 0.878 613 N CB 2.004 40.497 38.487 0.010 0.000 0.993 613 N HN 0.089 nan 8.380 nan 0.000 0.481 614 V N 0.900 120.919 119.914 0.176 0.000 2.540 614 V HA 0.507 4.627 4.120 0.000 0.000 0.302 614 V C -0.559 175.627 176.094 0.154 0.000 1.035 614 V CA -0.815 61.561 62.300 0.127 0.000 0.873 614 V CB 2.253 34.049 31.823 -0.044 0.000 0.992 614 V HN -0.093 nan 8.190 nan 0.000 0.428 615 M N 7.533 127.205 119.600 0.119 0.000 2.113 615 M HA 0.534 5.014 4.480 0.000 0.000 0.352 615 M C -1.165 174.962 176.300 -0.288 0.000 1.170 615 M CA -0.274 54.963 55.300 -0.105 0.000 1.053 615 M CB 0.991 33.405 32.600 -0.310 0.000 1.601 615 M HN 0.897 nan 8.290 nan 0.000 0.459 616 V N 5.378 125.008 119.914 -0.474 0.000 2.495 616 V HA 0.913 5.033 4.120 0.000 0.000 0.298 616 V C -1.051 174.666 176.094 -0.628 0.000 1.031 616 V CA -0.352 61.611 62.300 -0.560 0.000 0.871 616 V CB 1.503 33.019 31.823 -0.512 0.000 0.988 616 V HN 0.968 nan 8.190 nan 0.000 0.432 617 A N 7.581 130.122 122.820 -0.466 0.000 2.431 617 A HA 0.855 5.175 4.320 0.000 0.000 0.318 617 A C -2.781 174.630 177.584 -0.290 0.000 1.330 617 A CA -1.749 50.092 52.037 -0.326 0.000 0.804 617 A CB 0.827 19.629 19.000 -0.329 0.000 1.135 617 A HN 0.755 nan 8.150 nan 0.000 0.483 618 P HA 0.170 nan 4.420 nan 0.000 0.268 618 P C -0.279 176.675 177.300 -0.577 0.000 1.208 618 P CA 0.016 62.835 63.100 -0.469 0.000 0.777 618 P CB 0.747 31.989 31.700 -0.764 0.000 0.875 619 V N 3.414 123.030 119.914 -0.498 0.000 2.407 619 V HA 0.196 4.316 4.120 0.000 0.000 0.278 619 V C 0.287 176.034 176.094 -0.577 0.000 1.037 619 V CA 0.275 62.360 62.300 -0.358 0.000 0.900 619 V CB 0.185 31.923 31.823 -0.143 0.000 0.983 619 V HN 0.441 nan 8.190 nan 0.000 0.459 620 F N 2.579 122.385 119.950 -0.240 0.000 2.850 620 F HA 0.305 4.832 4.527 0.000 0.000 0.306 620 F C 0.946 176.213 175.800 -0.888 0.000 1.162 620 F CA -0.302 57.397 58.000 -0.503 0.000 1.327 620 F CB 0.628 39.499 39.000 -0.214 0.000 0.953 620 F HN 0.572 nan 8.300 nan 0.000 0.507 621 T N -4.813 109.371 114.554 -0.617 0.000 2.900 621 T HA 0.304 4.654 4.350 0.000 0.000 0.303 621 T C 0.691 175.299 174.700 -0.155 0.000 1.142 621 T CA -0.664 61.206 62.100 -0.382 0.000 1.007 621 T CB 2.372 71.175 68.868 -0.108 0.000 1.156 621 T HN 0.121 nan 8.240 nan 0.000 0.490 622 E N 0.891 121.110 120.200 0.033 0.000 2.047 622 E HA -0.089 4.261 4.350 0.000 0.000 0.191 622 E C 2.321 178.930 176.600 0.015 0.000 0.987 622 E CA 1.250 57.666 56.400 0.026 0.000 0.799 622 E CB -0.344 29.248 29.700 -0.180 0.000 0.752 622 E HN 0.820 nan 8.360 nan 0.000 0.449 623 A N -0.129 122.685 122.820 -0.010 0.000 2.070 623 A HA -0.054 4.266 4.320 0.000 0.000 0.220 623 A C 1.875 179.425 177.584 -0.056 0.000 1.159 623 A CA 1.744 53.767 52.037 -0.022 0.000 0.656 623 A CB -0.523 18.475 19.000 -0.003 0.000 0.800 623 A HN 0.515 nan 8.150 nan 0.000 0.453 624 G N -1.350 107.420 108.800 -0.050 0.000 2.179 624 G HA2 -0.176 3.784 3.960 0.000 0.000 0.220 624 G HA3 -0.176 3.784 3.960 0.000 0.000 0.220 624 G C -0.277 174.645 174.900 0.036 0.000 0.990 624 G CA 0.129 45.203 45.100 -0.043 0.000 0.646 624 G HN 0.505 nan 8.290 nan 0.000 0.517 625 D N 0.189 120.610 120.400 0.035 0.000 2.414 625 D HA 0.439 5.079 4.640 0.000 0.000 0.242 625 D C -0.031 176.328 176.300 0.098 0.000 1.129 625 D CA 0.787 54.833 54.000 0.076 0.000 0.885 625 D CB 2.320 43.151 40.800 0.051 0.000 1.198 625 D HN 0.452 nan 8.370 nan 0.000 0.437 626 V N 2.121 122.136 119.914 0.168 0.000 2.817 626 V HA 0.183 4.303 4.120 0.000 0.000 0.303 626 V C -1.615 174.672 176.094 0.321 0.000 1.151 626 V CA -0.583 61.846 62.300 0.216 0.000 0.929 626 V CB 2.190 34.111 31.823 0.164 0.000 1.030 626 V HN 0.454 nan 8.190 nan 0.000 0.427 627 Q N 5.483 125.481 119.800 0.331 0.000 2.337 627 Q HA 0.755 5.095 4.340 0.000 0.000 0.266 627 Q C -1.437 174.894 176.000 0.551 0.000 1.023 627 Q CA -0.471 55.545 55.803 0.357 0.000 0.829 627 Q CB 2.565 31.460 28.738 0.263 0.000 1.306 627 Q HN 0.736 nan 8.270 nan 0.000 0.449 628 F N -0.859 119.236 119.950 0.242 0.000 2.645 628 F HA 0.584 5.111 4.527 0.000 0.000 0.310 628 F C -1.650 173.783 175.800 -0.612 0.000 1.102 628 F CA -1.421 56.482 58.000 -0.160 0.000 0.952 628 F CB 1.008 39.901 39.000 -0.178 0.000 1.326 628 F HN 0.460 nan 8.300 nan 0.000 0.456 629 Y N 2.267 121.929 120.300 -1.065 0.000 2.420 629 Y HA 0.777 5.327 4.550 0.000 0.000 0.334 629 Y C -1.823 173.644 175.900 -0.722 0.000 1.094 629 Y CA -1.310 56.018 58.100 -1.286 0.000 1.126 629 Y CB 1.625 39.098 38.460 -1.644 0.000 1.217 629 Y HN 0.764 nan 8.280 nan 0.000 0.462 630 L N 8.244 128.467 121.223 -1.667 0.000 2.356 630 L HA 0.606 4.946 4.340 0.000 0.000 0.277 630 L C -2.481 173.529 176.870 -1.433 0.000 0.996 630 L CA -2.661 51.362 54.840 -1.360 0.000 0.822 630 L CB 1.819 43.296 42.059 -0.971 0.000 1.256 630 L HN 0.574 nan 8.230 nan 0.000 0.413 631 P HA 0.103 nan 4.420 nan 0.000 0.274 631 P C -0.733 176.592 177.300 0.043 0.000 1.256 631 P CA -0.555 62.359 63.100 -0.311 0.000 0.795 631 P CB 0.472 31.715 31.700 -0.763 0.000 1.038 632 E N 0.295 120.574 120.200 0.131 0.000 2.534 632 E HA 0.236 4.586 4.350 0.000 0.000 0.264 632 E C 0.300 177.018 176.600 0.196 0.000 0.981 632 E CA 0.974 57.467 56.400 0.154 0.000 0.948 632 E CB -0.355 29.431 29.700 0.142 0.000 0.934 632 E HN 0.651 nan 8.360 nan 0.000 0.459 633 G N 2.936 111.814 108.800 0.130 0.000 2.371 633 G HA2 -0.137 3.823 3.960 0.000 0.000 0.663 633 G HA3 -0.137 3.823 3.960 0.000 0.000 0.663 633 G C -1.180 173.764 174.900 0.074 0.000 1.311 633 G CA -0.468 44.647 45.100 0.026 0.000 0.985 633 G HN 0.604 nan 8.290 nan 0.000 0.566 634 R N -0.057 120.419 120.500 -0.039 0.000 2.272 634 R HA 0.527 4.867 4.340 0.000 0.000 0.323 634 R C -0.670 175.639 176.300 0.015 0.000 1.002 634 R CA -0.721 55.411 56.100 0.053 0.000 0.900 634 R CB 0.356 30.675 30.300 0.032 0.000 1.151 634 R HN 0.462 nan 8.270 nan 0.000 0.507 635 W N 1.996 123.288 121.300 -0.013 0.000 2.283 635 W HA 0.350 5.010 4.660 0.000 0.000 0.341 635 W C 0.047 176.668 176.519 0.170 0.000 1.206 635 W CA -0.148 57.219 57.345 0.037 0.000 1.294 635 W CB 1.488 30.926 29.460 -0.037 0.000 1.154 635 W HN 0.296 nan 8.180 nan 0.000 0.613 636 T N 1.586 116.404 114.554 0.439 0.000 2.881 636 T HA 0.060 4.410 4.350 0.000 0.000 0.291 636 T C -0.640 174.204 174.700 0.240 0.000 0.990 636 T CA -0.635 61.707 62.100 0.404 0.000 0.976 636 T CB 0.640 69.785 68.868 0.462 0.000 0.970 636 T HN 0.282 nan 8.240 nan 0.000 0.438 637 H N 3.108 122.153 119.070 -0.042 0.000 3.094 637 H HA 0.013 4.569 4.556 0.000 0.000 0.320 637 H C 1.006 176.156 175.328 -0.297 0.000 1.000 637 H CA -0.296 55.377 56.048 -0.625 0.000 1.413 637 H CB 0.717 30.059 29.762 -0.700 0.000 1.405 637 H HN 0.535 nan 8.280 nan 0.000 0.586 638 L N 5.955 126.972 121.223 -0.344 0.000 2.081 638 L HA -0.184 4.156 4.340 0.000 0.000 0.212 638 L C 1.652 178.707 176.870 0.308 0.000 1.080 638 L CA 2.301 57.146 54.840 0.008 0.000 0.754 638 L CB -0.460 41.585 42.059 -0.023 0.000 0.893 638 L HN 0.839 nan 8.230 nan 0.000 0.433 639 W N -5.080 116.367 121.300 0.244 0.000 2.520 639 W HA 0.295 4.955 4.660 0.000 0.000 0.272 639 W C 1.671 178.220 176.519 0.050 0.000 0.984 639 W CA -0.112 57.286 57.345 0.089 0.000 1.314 639 W CB -0.653 28.835 29.460 0.047 0.000 0.945 639 W HN -0.069 nan 8.180 nan 0.000 0.596 640 H N 1.283 120.153 119.070 -0.332 0.000 2.544 640 H HA 0.118 4.674 4.556 0.000 0.000 0.269 640 H C 0.781 176.068 175.328 -0.070 0.000 0.970 640 H CA 0.993 56.849 56.048 -0.321 0.000 1.219 640 H CB -0.296 29.028 29.762 -0.730 0.000 1.421 640 H HN 0.163 nan 8.280 nan 0.000 0.555 641 N N 1.712 120.500 118.700 0.146 0.000 2.778 641 N HA -0.158 4.583 4.740 0.000 0.000 0.249 641 N C -0.362 175.255 175.510 0.177 0.000 1.069 641 N CA 1.282 54.444 53.050 0.188 0.000 0.831 641 N CB -1.016 37.566 38.487 0.157 0.000 1.142 641 N HN 0.644 nan 8.380 nan 0.000 0.573 642 D N 0.669 121.172 120.400 0.172 0.000 2.344 642 D HA 0.235 4.875 4.640 0.000 0.000 0.244 642 D C 0.094 176.556 176.300 0.271 0.000 1.134 642 D CA 0.305 54.409 54.000 0.173 0.000 0.930 642 D CB 1.092 41.975 40.800 0.139 0.000 1.175 642 D HN 0.169 nan 8.370 nan 0.000 0.437 643 E N -0.237 120.087 120.200 0.207 0.000 2.244 643 E HA 0.623 4.973 4.350 0.000 0.000 0.266 643 E C -0.707 175.954 176.600 0.102 0.000 0.914 643 E CA -0.861 55.662 56.400 0.204 0.000 0.794 643 E CB 2.362 32.151 29.700 0.147 0.000 1.210 643 E HN 0.318 nan 8.360 nan 0.000 0.414 644 L N 1.685 122.933 121.223 0.042 0.000 2.422 644 L HA 0.381 4.721 4.340 0.000 0.000 0.264 644 L C -1.047 175.819 176.870 -0.007 0.000 0.984 644 L CA -1.067 53.676 54.840 -0.163 0.000 0.819 644 L CB 2.089 43.782 42.059 -0.610 0.000 1.330 644 L HN 0.426 nan 8.230 nan 0.000 0.410 645 D N 2.080 122.498 120.400 0.030 0.000 2.312 645 D HA 0.306 4.946 4.640 0.000 0.000 0.252 645 D C 0.345 176.729 176.300 0.139 0.000 1.150 645 D CA 0.110 54.172 54.000 0.103 0.000 0.870 645 D CB 2.117 42.965 40.800 0.080 0.000 1.153 645 D HN 0.657 nan 8.370 nan 0.000 0.457 646 G N 0.138 109.019 108.800 0.135 0.000 2.553 646 G HA2 0.273 4.233 3.960 0.000 0.000 0.278 646 G HA3 0.273 4.233 3.960 0.000 0.000 0.278 646 G C 0.386 175.217 174.900 -0.115 0.000 1.349 646 G CA 0.110 45.212 45.100 0.003 0.000 1.037 646 G HN 0.611 nan 8.290 nan 0.000 0.508 647 S N -1.841 113.708 115.700 -0.253 0.000 3.698 647 S HA -0.176 4.294 4.470 0.000 0.000 0.338 647 S C 0.287 174.821 174.600 -0.109 0.000 1.089 647 S CA 1.835 59.976 58.200 -0.098 0.000 0.991 647 S CB -1.410 61.811 63.200 0.036 0.000 0.909 647 S HN 1.651 nan 8.310 nan 0.000 0.485 648 R N -1.602 118.613 120.500 -0.475 0.000 2.774 648 R HA 0.492 4.832 4.340 0.000 0.000 0.279 648 R C -1.523 174.395 176.300 -0.636 0.000 1.022 648 R CA -1.131 54.788 56.100 -0.301 0.000 0.855 648 R CB -0.223 29.914 30.300 -0.272 0.000 1.279 648 R HN 0.199 nan 8.270 nan 0.000 0.485 649 W N 1.252 122.298 121.300 -0.422 0.000 2.316 649 W HA 0.457 5.117 4.660 0.000 0.000 0.321 649 W C 0.216 176.248 176.519 -0.811 0.000 1.203 649 W CA 0.383 57.444 57.345 -0.474 0.000 1.214 649 W CB 0.969 30.304 29.460 -0.209 0.000 1.169 649 W HN 0.313 nan 8.180 nan 0.000 0.561 650 H N 1.838 120.655 119.070 -0.421 0.000 2.690 650 H HA 0.374 4.931 4.556 0.000 0.000 0.368 650 H C -1.002 174.006 175.328 -0.534 0.000 1.150 650 H CA -1.120 54.572 56.048 -0.593 0.000 1.174 650 H CB 2.417 31.578 29.762 -1.003 0.000 1.684 650 H HN 0.267 nan 8.280 nan 0.000 0.538 651 K N 2.325 122.661 120.400 -0.107 0.000 2.426 651 K HA 0.358 4.678 4.320 0.000 0.000 0.254 651 K C -1.012 175.654 176.600 0.111 0.000 0.936 651 K CA -0.403 55.891 56.287 0.012 0.000 0.801 651 K CB 1.561 34.075 32.500 0.024 0.000 1.139 651 K HN 0.633 nan 8.250 nan 0.000 0.424 652 Q N 1.695 121.645 119.800 0.250 0.000 2.605 652 Q HA 0.296 4.636 4.340 0.000 0.000 0.296 652 Q C -1.563 174.606 176.000 0.281 0.000 1.056 652 Q CA -1.053 54.926 55.803 0.295 0.000 0.778 652 Q CB 2.839 31.898 28.738 0.535 0.000 1.497 652 Q HN 0.537 nan 8.270 nan 0.000 0.443 653 Q N 0.808 120.729 119.800 0.201 0.000 2.292 653 Q HA 0.346 4.686 4.340 0.000 0.000 0.270 653 Q C -1.726 174.314 176.000 0.067 0.000 1.024 653 Q CA -0.309 55.580 55.803 0.144 0.000 0.768 653 Q CB 1.370 30.130 28.738 0.037 0.000 1.250 653 Q HN 0.649 nan 8.270 nan 0.000 0.447 654 H N 1.805 120.877 119.070 0.003 0.000 2.572 654 H HA 0.435 4.991 4.556 0.000 0.000 0.359 654 H C -0.040 175.232 175.328 -0.093 0.000 1.134 654 H CA -0.740 55.309 56.048 0.001 0.000 1.187 654 H CB 2.151 31.955 29.762 0.069 0.000 1.597 654 H HN 0.852 nan 8.280 nan 0.000 0.524 655 G N 0.403 109.206 108.800 0.004 0.000 2.621 655 G HA2 0.107 4.067 3.960 0.000 0.000 0.271 655 G HA3 0.107 4.067 3.960 0.000 0.000 0.271 655 G C 0.182 175.044 174.900 -0.062 0.000 1.236 655 G CA -0.430 44.584 45.100 -0.144 0.000 0.958 655 G HN 0.491 nan 8.290 nan 0.000 0.512 656 F N -1.110 118.953 119.950 0.187 0.000 2.641 656 F HA 0.073 4.600 4.527 0.000 0.000 0.298 656 F C 1.974 177.923 175.800 0.250 0.000 1.146 656 F CA 0.275 58.410 58.000 0.225 0.000 1.464 656 F CB -0.020 39.105 39.000 0.208 0.000 1.101 656 F HN 0.055 nan 8.300 nan 0.000 0.585 657 L N -1.690 119.694 121.223 0.269 0.000 2.728 657 L HA 0.251 4.591 4.340 0.000 0.000 0.238 657 L C 0.577 177.557 176.870 0.184 0.000 1.143 657 L CA 0.112 54.951 54.840 -0.002 0.000 0.937 657 L CB -0.277 41.592 42.059 -0.315 0.000 1.225 657 L HN -0.035 nan 8.230 nan 0.000 0.507 658 S N -0.329 115.666 115.700 0.491 0.000 2.685 658 S HA 0.936 5.406 4.470 0.000 0.000 0.282 658 S C -1.453 173.478 174.600 0.552 0.000 1.159 658 S CA -0.541 58.088 58.200 0.715 0.000 0.833 658 S CB 1.347 64.964 63.200 0.694 0.000 1.151 658 S HN 0.112 nan 8.310 nan 0.000 0.485 659 L N -1.379 120.068 121.223 0.373 0.000 2.921 659 L HA 0.604 4.944 4.340 0.000 0.000 0.261 659 L C -3.251 173.364 176.870 -0.425 0.000 0.984 659 L CA -1.883 52.797 54.840 -0.266 0.000 0.951 659 L CB 1.330 43.335 42.059 -0.090 0.000 1.495 659 L HN 0.360 nan 8.230 nan 0.000 0.414 660 P HA 0.252 nan 4.420 nan 0.000 0.265 660 P C -0.947 175.982 177.300 -0.618 0.000 1.222 660 P CA 0.075 62.806 63.100 -0.616 0.000 0.767 660 P CB 0.911 31.966 31.700 -1.074 0.000 0.801 661 V N 5.794 125.133 119.914 -0.958 0.000 2.443 661 V HA 0.273 4.393 4.120 0.000 0.000 0.272 661 V C -0.859 174.628 176.094 -1.011 0.000 1.002 661 V CA -0.531 61.302 62.300 -0.778 0.000 0.840 661 V CB 0.082 31.547 31.823 -0.597 0.000 1.042 661 V HN 0.387 nan 8.190 nan 0.000 0.446 662 Y N 2.128 122.161 120.300 -0.446 0.000 2.360 662 Y HA 0.653 5.203 4.550 0.000 0.000 0.337 662 Y C 0.247 176.193 175.900 0.076 0.000 1.039 662 Y CA -0.853 57.135 58.100 -0.188 0.000 1.109 662 Y CB 2.155 40.543 38.460 -0.120 0.000 1.201 662 Y HN 0.346 nan 8.280 nan 0.000 0.458 663 V N 4.655 124.613 119.914 0.074 0.000 2.439 663 V HA 0.407 4.527 4.120 0.000 0.000 0.282 663 V C 0.113 176.042 176.094 -0.276 0.000 1.039 663 V CA -1.243 60.909 62.300 -0.247 0.000 0.913 663 V CB 1.042 32.259 31.823 -1.010 0.000 0.983 663 V HN 0.715 nan 8.190 nan 0.000 0.460 664 R N 2.420 122.575 120.500 -0.574 0.000 2.694 664 R HA 0.212 4.552 4.340 0.000 0.000 0.268 664 R C -0.154 175.803 176.300 -0.572 0.000 1.061 664 R CA -0.569 54.877 56.100 -1.089 0.000 1.133 664 R CB 0.355 30.165 30.300 -0.817 0.000 1.020 664 R HN 0.905 nan 8.270 nan 0.000 0.475 665 D N 1.107 121.185 120.400 -0.536 0.000 2.363 665 D HA -0.075 4.565 4.640 0.000 0.000 0.240 665 D C -0.015 176.177 176.300 -0.180 0.000 1.236 665 D CA -0.438 53.417 54.000 -0.241 0.000 0.927 665 D CB 0.230 40.898 40.800 -0.219 0.000 1.150 665 D HN 0.508 nan 8.370 nan 0.000 0.458 666 N N -1.385 117.258 118.700 -0.094 0.000 2.735 666 N HA -0.151 4.589 4.740 0.000 0.000 0.248 666 N C -0.902 174.602 175.510 -0.010 0.000 1.083 666 N CA 1.013 54.026 53.050 -0.061 0.000 0.703 666 N CB -1.569 36.855 38.487 -0.106 0.000 1.005 666 N HN 0.556 nan 8.380 nan 0.000 0.550 667 T N 0.885 115.463 114.554 0.040 0.000 2.856 667 T HA 0.570 4.920 4.350 0.000 0.000 0.283 667 T C -0.094 174.725 174.700 0.199 0.000 1.008 667 T CA -0.538 61.605 62.100 0.071 0.000 0.997 667 T CB 2.424 71.273 68.868 -0.033 0.000 0.992 667 T HN 0.133 nan 8.240 nan 0.000 0.454 668 L N 3.995 125.323 121.223 0.175 0.000 2.353 668 L HA 0.618 4.958 4.340 0.000 0.000 0.270 668 L C -1.281 175.758 176.870 0.282 0.000 1.003 668 L CA -0.683 54.295 54.840 0.230 0.000 0.862 668 L CB 0.767 42.906 42.059 0.133 0.000 1.221 668 L HN 0.510 nan 8.230 nan 0.000 0.430 669 L N 4.235 125.675 121.223 0.360 0.000 2.343 669 L HA 0.832 5.172 4.340 0.000 0.000 0.275 669 L C -0.043 177.027 176.870 0.334 0.000 1.056 669 L CA -0.027 54.978 54.840 0.275 0.000 0.804 669 L CB 1.714 43.889 42.059 0.192 0.000 1.203 669 L HN 0.712 nan 8.230 nan 0.000 0.440 670 A N 5.056 128.005 122.820 0.215 0.000 2.277 670 A HA 0.640 4.961 4.320 0.000 0.000 0.318 670 A C -1.208 176.381 177.584 0.008 0.000 1.339 670 A CA -0.464 51.586 52.037 0.021 0.000 0.875 670 A CB 0.109 19.100 19.000 -0.015 0.000 1.158 670 A HN 0.475 nan 8.150 nan 0.000 0.514 671 L N 2.147 123.389 121.223 0.031 0.000 2.325 671 L HA 0.654 4.994 4.340 0.000 0.000 0.279 671 L C 1.085 177.996 176.870 0.069 0.000 1.054 671 L CA 0.251 55.123 54.840 0.052 0.000 0.804 671 L CB 1.500 43.586 42.059 0.046 0.000 1.200 671 L HN 0.730 nan 8.230 nan 0.000 0.436 672 G N 0.920 109.812 108.800 0.154 0.000 2.547 672 G HA2 0.296 4.256 3.960 0.000 0.000 0.291 672 G HA3 0.296 4.256 3.960 0.000 0.000 0.291 672 G C 0.127 175.138 174.900 0.187 0.000 1.211 672 G CA -0.444 44.831 45.100 0.292 0.000 0.950 672 G HN 0.736 nan 8.290 nan 0.000 0.504 673 N N -0.035 118.760 118.700 0.160 0.000 2.546 673 N HA 0.084 4.824 4.740 0.000 0.000 0.286 673 N C -0.498 174.908 175.510 -0.174 0.000 1.259 673 N CA -0.589 52.464 53.050 0.005 0.000 0.939 673 N CB 0.335 38.833 38.487 0.019 0.000 1.243 673 N HN 0.341 nan 8.380 nan 0.000 0.511 674 N N 0.937 119.446 118.700 -0.318 0.000 2.503 674 N HA 0.055 4.795 4.740 0.000 0.000 0.287 674 N C -1.518 173.809 175.510 -0.305 0.000 1.096 674 N CA -0.294 52.441 53.050 -0.526 0.000 0.936 674 N CB 1.638 39.342 38.487 -1.305 0.000 1.570 674 N HN 0.239 nan 8.380 nan 0.000 0.504 675 D N 1.722 122.022 120.400 -0.166 0.000 2.538 675 D HA 0.130 4.770 4.640 0.000 0.000 0.231 675 D C 0.143 176.430 176.300 -0.021 0.000 1.229 675 D CA 0.189 54.145 54.000 -0.073 0.000 0.828 675 D CB 0.536 41.285 40.800 -0.085 0.000 1.035 675 D HN 0.338 nan 8.370 nan 0.000 0.495 676 Q N 0.382 120.166 119.800 -0.026 0.000 2.353 676 Q HA 0.193 4.533 4.340 0.000 0.000 0.240 676 Q C 0.511 176.644 176.000 0.221 0.000 0.868 676 Q CA 0.446 56.283 55.803 0.056 0.000 0.944 676 Q CB 1.546 30.280 28.738 -0.007 0.000 1.104 676 Q HN 0.521 nan 8.270 nan 0.000 0.531 677 R N -0.530 120.067 120.500 0.162 0.000 2.707 677 R HA 0.404 4.744 4.340 0.000 0.000 0.272 677 R C -2.586 173.838 176.300 0.207 0.000 1.011 677 R CA -1.361 54.858 56.100 0.198 0.000 0.893 677 R CB 1.361 31.775 30.300 0.191 0.000 1.233 677 R HN -0.306 nan 8.270 nan 0.000 0.464 678 P HA -0.034 nan 4.420 nan 0.000 0.226 678 P C -0.674 176.819 177.300 0.322 0.000 1.161 678 P CA 0.799 64.039 63.100 0.234 0.000 0.804 678 P CB 0.115 31.865 31.700 0.083 0.000 0.829 679 D N 1.173 121.691 120.400 0.197 0.000 2.456 679 D HA 0.176 4.816 4.640 0.000 0.000 0.219 679 D C -0.323 175.935 176.300 -0.069 0.000 1.126 679 D CA -0.718 53.269 54.000 -0.022 0.000 0.890 679 D CB -0.295 40.523 40.800 0.029 0.000 1.025 679 D HN 0.278 nan 8.370 nan 0.000 0.511 680 Y N -1.581 118.402 120.300 -0.528 0.000 2.624 680 Y HA 0.341 4.891 4.550 0.000 0.000 0.334 680 Y C -0.705 174.716 175.900 -0.799 0.000 1.155 680 Y CA -1.836 55.976 58.100 -0.479 0.000 1.046 680 Y CB 0.934 39.262 38.460 -0.220 0.000 1.316 680 Y HN 0.013 nan 8.280 nan 0.000 0.457 681 V N 4.821 124.522 119.914 -0.355 0.000 2.459 681 V HA -0.089 4.031 4.120 0.000 0.000 0.255 681 V C 0.211 176.170 176.094 -0.225 0.000 1.015 681 V CA 0.250 62.344 62.300 -0.344 0.000 1.163 681 V CB -0.728 30.960 31.823 -0.225 0.000 1.109 681 V HN 0.869 nan 8.190 nan 0.000 0.473 682 W N 5.236 126.457 121.300 -0.132 0.000 2.425 682 W HA -0.088 4.572 4.660 0.000 0.000 0.277 682 W C 2.053 178.582 176.519 0.017 0.000 1.231 682 W CA 1.349 58.620 57.345 -0.124 0.000 1.248 682 W CB -0.831 28.519 29.460 -0.182 0.000 1.117 682 W HN 0.995 nan 8.180 nan 0.000 0.568 683 H N -0.738 118.433 119.070 0.170 0.000 2.539 683 H HA 0.260 4.816 4.556 0.000 0.000 0.267 683 H C -0.528 174.832 175.328 0.054 0.000 0.982 683 H CA 0.348 56.452 56.048 0.093 0.000 1.146 683 H CB -0.471 29.342 29.762 0.084 0.000 1.382 683 H HN 0.115 nan 8.280 nan 0.000 0.577 684 E N 0.478 120.549 120.200 -0.215 0.000 2.114 684 E HA 0.391 4.742 4.350 0.000 0.000 0.266 684 E C 0.063 176.663 176.600 0.000 0.000 0.896 684 E CA -0.286 56.034 56.400 -0.134 0.000 0.750 684 E CB 1.441 31.005 29.700 -0.226 0.000 1.121 684 E HN 0.545 nan 8.360 nan 0.000 0.413 685 G N 3.098 111.927 108.800 0.049 0.000 2.141 685 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 685 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 685 G C 0.478 175.428 174.900 0.082 0.000 0.982 685 G CA 0.108 45.246 45.100 0.064 0.000 0.662 685 G HN 0.513 nan 8.290 nan 0.000 0.527 686 T N 0.736 115.335 114.554 0.075 0.000 2.939 686 T HA 0.444 4.794 4.350 0.000 0.000 0.319 686 T C 0.599 175.259 174.700 -0.066 0.000 1.082 686 T CA 1.003 63.067 62.100 -0.060 0.000 1.133 686 T CB 1.482 70.195 68.868 -0.260 0.000 1.019 686 T HN 1.611 nan 8.240 nan 0.000 0.548 687 A N 2.979 125.710 122.820 -0.147 0.000 2.409 687 A HA 0.645 4.965 4.320 0.000 0.000 0.300 687 A C -0.535 177.021 177.584 -0.047 0.000 1.273 687 A CA -0.767 51.263 52.037 -0.011 0.000 0.774 687 A CB 0.165 19.245 19.000 0.135 0.000 1.144 687 A HN 0.647 nan 8.150 nan 0.000 0.472 688 F N 1.747 121.789 119.950 0.152 0.000 2.382 688 F HA 0.425 4.952 4.527 0.000 0.000 0.331 688 F C 1.040 176.795 175.800 -0.076 0.000 1.121 688 F CA 0.569 58.655 58.000 0.144 0.000 1.183 688 F CB 0.933 40.004 39.000 0.118 0.000 1.207 688 F HN 0.482 nan 8.300 nan 0.000 0.555 689 H N 2.903 122.134 119.070 0.269 0.000 2.840 689 H HA 0.330 4.886 4.556 0.000 0.000 0.340 689 H C -1.386 173.962 175.328 0.034 0.000 1.004 689 H CA -0.861 55.224 56.048 0.061 0.000 1.288 689 H CB 2.384 32.155 29.762 0.014 0.000 1.607 689 H HN 0.415 nan 8.280 nan 0.000 0.522 690 L N 3.903 125.103 121.223 -0.039 0.000 2.282 690 L HA 0.411 4.751 4.340 0.000 0.000 0.288 690 L C -1.384 175.385 176.870 -0.168 0.000 1.033 690 L CA -0.172 54.676 54.840 0.013 0.000 0.807 690 L CB 0.254 42.323 42.059 0.016 0.000 1.209 690 L HN 0.340 nan 8.230 nan 0.000 0.423 691 F N 3.459 123.437 119.950 0.047 0.000 2.482 691 F HA 0.390 4.917 4.527 0.000 0.000 0.331 691 F C 0.917 176.705 175.800 -0.021 0.000 1.115 691 F CA -0.829 57.183 58.000 0.020 0.000 0.955 691 F CB 1.006 40.007 39.000 0.001 0.000 1.136 691 F HN 0.569 nan 8.300 nan 0.000 0.452 692 N N 2.991 121.767 118.700 0.127 0.000 2.823 692 N HA -0.250 4.490 4.740 0.000 0.000 0.287 692 N C -0.686 174.819 175.510 -0.008 0.000 1.007 692 N CA -0.107 52.968 53.050 0.042 0.000 0.840 692 N CB -0.356 38.147 38.487 0.026 0.000 0.944 692 N HN 0.479 nan 8.380 nan 0.000 0.590 693 L N 1.547 122.771 121.223 0.001 0.000 2.369 693 L HA 0.062 4.402 4.340 0.000 0.000 0.279 693 L C 0.654 177.498 176.870 -0.043 0.000 1.108 693 L CA -0.155 54.675 54.840 -0.017 0.000 0.852 693 L CB 0.444 42.513 42.059 0.017 0.000 1.169 693 L HN 0.335 nan 8.230 nan 0.000 0.452 694 Q N 2.587 122.308 119.800 -0.131 0.000 2.317 694 Q HA 0.079 4.419 4.340 0.000 0.000 0.229 694 Q C -0.597 175.440 176.000 0.063 0.000 0.984 694 Q CA -0.573 55.162 55.803 -0.113 0.000 0.911 694 Q CB 1.074 29.594 28.738 -0.364 0.000 1.217 694 Q HN 0.550 nan 8.270 nan 0.000 0.501 695 D N -0.403 120.050 120.400 0.089 0.000 2.382 695 D HA 0.193 4.833 4.640 0.000 0.000 0.259 695 D C 0.603 177.016 176.300 0.187 0.000 1.224 695 D CA 1.506 55.571 54.000 0.109 0.000 0.894 695 D CB -0.068 40.772 40.800 0.067 0.000 1.127 695 D HN 0.678 nan 8.370 nan 0.000 0.487 696 G N 3.134 112.019 108.800 0.140 0.000 2.184 696 G HA2 -0.183 3.777 3.960 0.000 0.000 0.206 696 G HA3 -0.183 3.777 3.960 0.000 0.000 0.206 696 G C 0.310 175.194 174.900 -0.027 0.000 0.995 696 G CA -0.001 45.130 45.100 0.051 0.000 0.651 696 G HN 0.677 nan 8.290 nan 0.000 0.511 697 H N -0.057 119.009 119.070 -0.006 0.000 2.713 697 H HA 0.726 5.282 4.556 0.000 0.000 0.340 697 H C -0.610 174.711 175.328 -0.011 0.000 1.271 697 H CA -0.362 55.680 56.048 -0.010 0.000 1.306 697 H CB 2.050 31.805 29.762 -0.010 0.000 1.839 697 H HN 0.276 nan 8.280 nan 0.000 0.627 698 E N 0.505 120.780 120.200 0.125 0.000 2.274 698 E HA 0.489 4.839 4.350 0.000 0.000 0.269 698 E C -1.750 174.876 176.600 0.043 0.000 0.891 698 E CA -0.824 55.607 56.400 0.053 0.000 0.784 698 E CB 1.795 31.502 29.700 0.011 0.000 1.225 698 E HN 0.707 nan 8.360 nan 0.000 0.412 699 A N 3.470 126.309 122.820 0.031 0.000 2.301 699 A HA 0.624 4.944 4.320 0.000 0.000 0.312 699 A C -0.753 176.833 177.584 0.002 0.000 1.182 699 A CA -0.501 51.552 52.037 0.028 0.000 0.826 699 A CB 1.178 20.206 19.000 0.047 0.000 1.134 699 A HN 0.356 nan 8.150 nan 0.000 0.501 700 V N 1.246 121.161 119.914 0.001 0.000 2.628 700 V HA 0.570 4.690 4.120 0.000 0.000 0.306 700 V C -0.360 175.738 176.094 0.006 0.000 1.045 700 V CA -0.568 61.715 62.300 -0.027 0.000 0.905 700 V CB 1.542 33.340 31.823 -0.040 0.000 0.997 700 V HN 1.092 nan 8.190 nan 0.000 0.436 701 C N 4.112 123.402 119.300 -0.016 0.000 2.482 701 C HA 0.698 5.158 4.460 0.000 0.000 0.317 701 C C -0.617 174.395 174.990 0.037 0.000 1.197 701 C CA -0.317 58.745 59.018 0.072 0.000 1.432 701 C CB 0.832 28.683 27.740 0.186 0.000 2.062 701 C HN 1.020 nan 8.230 nan 0.000 0.471 702 E N 3.748 123.990 120.200 0.070 0.000 2.199 702 E HA 0.523 4.873 4.350 0.000 0.000 0.265 702 E C -1.117 175.550 176.600 0.112 0.000 0.882 702 E CA -0.518 55.908 56.400 0.043 0.000 0.759 702 E CB 2.156 31.850 29.700 -0.009 0.000 1.148 702 E HN 0.543 nan 8.360 nan 0.000 0.412 703 V N 5.255 125.280 119.914 0.185 0.000 2.394 703 V HA 0.365 4.485 4.120 0.000 0.000 0.282 703 V C -1.994 174.204 176.094 0.174 0.000 1.031 703 V CA -1.656 60.774 62.300 0.216 0.000 0.881 703 V CB 1.207 33.249 31.823 0.365 0.000 0.982 703 V HN 0.594 nan 8.190 nan 0.000 0.451 704 P HA 0.520 nan 4.420 nan 0.000 0.285 704 P C -0.718 176.800 177.300 0.362 0.000 1.269 704 P CA -0.463 62.756 63.100 0.198 0.000 0.844 704 P CB 2.022 33.809 31.700 0.144 0.000 1.094 705 A N 1.304 124.287 122.820 0.272 0.000 2.240 705 A HA 0.543 4.863 4.320 0.000 0.000 0.292 705 A C 1.648 179.457 177.584 0.375 0.000 1.121 705 A CA 0.140 52.313 52.037 0.225 0.000 0.851 705 A CB -0.513 18.544 19.000 0.096 0.000 1.167 705 A HN 0.503 nan 8.150 nan 0.000 0.503 706 A N -0.349 122.569 122.820 0.163 0.000 2.070 706 A HA -0.088 4.232 4.320 0.000 0.000 0.220 706 A C 1.248 179.013 177.584 0.302 0.000 1.159 706 A CA 2.028 54.131 52.037 0.111 0.000 0.656 706 A CB -0.699 18.236 19.000 -0.108 0.000 0.800 706 A HN 0.855 nan 8.150 nan 0.000 0.453 707 D N -2.736 117.808 120.400 0.239 0.000 2.340 707 D HA 0.303 4.943 4.640 0.000 0.000 0.220 707 D C 1.174 177.603 176.300 0.214 0.000 1.039 707 D CA 0.949 55.077 54.000 0.212 0.000 0.866 707 D CB -0.335 40.537 40.800 0.120 0.000 0.913 707 D HN 0.656 nan 8.370 nan 0.000 0.523 708 G N 0.117 109.090 108.800 0.289 0.000 2.258 708 G HA2 -0.296 3.664 3.960 0.000 0.000 0.233 708 G HA3 -0.296 3.664 3.960 0.000 0.000 0.233 708 G C 0.504 175.437 174.900 0.056 0.000 1.006 708 G CA 0.307 45.470 45.100 0.105 0.000 0.620 708 G HN 0.844 nan 8.290 nan 0.000 0.511 709 S N -0.066 115.678 115.700 0.074 0.000 2.593 709 S HA 0.575 5.045 4.470 0.000 0.000 0.269 709 S C 0.432 175.060 174.600 0.047 0.000 1.334 709 S CA -0.067 58.157 58.200 0.039 0.000 1.015 709 S CB 2.077 65.298 63.200 0.034 0.000 0.912 709 S HN 1.106 nan 8.310 nan 0.000 0.541 710 V N 3.299 123.226 119.914 0.020 0.000 2.415 710 V HA 0.147 4.267 4.120 0.000 0.000 0.267 710 V C 1.119 177.229 176.094 0.028 0.000 1.042 710 V CA -0.054 62.260 62.300 0.024 0.000 1.000 710 V CB 0.094 31.911 31.823 -0.010 0.000 1.015 710 V HN 0.972 nan 8.190 nan 0.000 0.478 711 I N 4.626 125.226 120.570 0.050 0.000 3.603 711 I HA 0.316 4.486 4.170 0.000 0.000 0.297 711 I C -0.003 176.195 176.117 0.135 0.000 1.269 711 I CA 0.544 61.857 61.300 0.021 0.000 1.361 711 I CB 0.340 38.265 38.000 -0.125 0.000 1.063 711 I HN 0.560 nan 8.210 nan 0.000 0.448 712 F N -0.177 119.759 119.950 -0.023 0.000 2.654 712 F HA 0.392 4.919 4.527 0.000 0.000 0.314 712 F C -1.247 174.541 175.800 -0.021 0.000 1.116 712 F CA -0.441 57.551 58.000 -0.014 0.000 1.017 712 F CB 1.472 40.487 39.000 0.025 0.000 1.285 712 F HN -0.381 nan 8.300 nan 0.000 0.448 713 T N 6.579 120.563 114.554 -0.949 0.000 2.861 713 T HA 0.623 4.973 4.350 0.000 0.000 0.287 713 T C -1.875 172.223 174.700 -1.004 0.000 1.003 713 T CA -0.637 61.058 62.100 -0.675 0.000 0.977 713 T CB 1.749 70.383 68.868 -0.390 0.000 0.996 713 T HN 0.555 nan 8.240 nan 0.000 0.448 714 L N 3.238 124.088 121.223 -0.621 0.000 2.409 714 L HA 0.626 4.966 4.340 0.000 0.000 0.272 714 L C -1.091 175.573 176.870 -0.343 0.000 0.980 714 L CA -0.621 53.861 54.840 -0.596 0.000 0.826 714 L CB 1.651 43.200 42.059 -0.849 0.000 1.268 714 L HN 0.689 nan 8.230 nan 0.000 0.407 715 K N 3.660 123.906 120.400 -0.256 0.000 2.318 715 K HA 0.839 5.159 4.320 0.000 0.000 0.249 715 K C -0.974 175.568 176.600 -0.097 0.000 0.942 715 K CA -0.757 55.442 56.287 -0.146 0.000 0.808 715 K CB 2.639 35.069 32.500 -0.117 0.000 1.189 715 K HN 0.638 nan 8.250 nan 0.000 0.428 716 A N 1.478 124.266 122.820 -0.053 0.000 2.522 716 A HA 0.658 4.978 4.320 0.000 0.000 0.285 716 A C -1.128 176.457 177.584 0.002 0.000 1.198 716 A CA -0.596 51.430 52.037 -0.019 0.000 0.742 716 A CB 1.020 20.016 19.000 -0.006 0.000 1.176 716 A HN 0.694 nan 8.150 nan 0.000 0.444 717 A N 2.380 125.202 122.820 0.003 0.000 2.317 717 A HA 0.821 5.141 4.320 0.000 0.000 0.327 717 A C 0.083 177.680 177.584 0.022 0.000 1.178 717 A CA -0.679 51.366 52.037 0.014 0.000 0.817 717 A CB 0.764 19.765 19.000 0.002 0.000 1.189 717 A HN 0.889 nan 8.150 nan 0.000 0.489 718 R N 1.938 122.460 120.500 0.036 0.000 2.360 718 R HA 0.410 4.750 4.340 0.000 0.000 0.318 718 R C 0.394 176.715 176.300 0.036 0.000 0.950 718 R CA 0.178 56.300 56.100 0.036 0.000 0.837 718 R CB 1.415 31.741 30.300 0.043 0.000 1.165 718 R HN 0.806 nan 8.270 nan 0.000 0.458 719 T N 1.304 115.872 114.554 0.023 0.000 2.837 719 T HA 0.218 4.568 4.350 0.000 0.000 0.248 719 T C 0.878 175.590 174.700 0.020 0.000 1.033 719 T CA 1.411 63.521 62.100 0.017 0.000 1.150 719 T CB 0.081 68.954 68.868 0.009 0.000 0.865 719 T HN 0.696 nan 8.240 nan 0.000 0.425 720 G N 0.126 108.938 108.800 0.019 0.000 2.477 720 G HA2 0.224 4.184 3.960 0.000 0.000 0.197 720 G HA3 0.224 4.184 3.960 0.000 0.000 0.197 720 G C 0.704 175.615 174.900 0.019 0.000 1.860 720 G CA 0.044 45.155 45.100 0.018 0.000 0.714 720 G HN 0.424 nan 8.290 nan 0.000 0.782 721 N N 0.139 118.849 118.700 0.016 0.000 2.184 721 N HA 0.237 4.977 4.740 0.000 0.000 0.206 721 N C -0.525 174.994 175.510 0.014 0.000 1.151 721 N CA 0.098 53.157 53.050 0.015 0.000 0.878 721 N CB 1.317 39.811 38.487 0.012 0.000 1.014 721 N HN 0.176 nan 8.380 nan 0.000 0.512 722 T N 1.803 116.366 114.554 0.015 0.000 2.767 722 T HA 0.497 4.847 4.350 0.000 0.000 0.284 722 T C 0.017 174.727 174.700 0.017 0.000 0.973 722 T CA -0.581 61.528 62.100 0.014 0.000 0.996 722 T CB 0.878 69.753 68.868 0.012 0.000 0.927 722 T HN 0.143 nan 8.240 nan 0.000 0.456 723 I N 0.564 121.145 120.570 0.018 0.000 2.410 723 I HA 0.561 4.731 4.170 0.000 0.000 0.286 723 I C -0.398 175.730 176.117 0.019 0.000 1.009 723 I CA -0.673 60.638 61.300 0.019 0.000 1.111 723 I CB 1.549 39.562 38.000 0.021 0.000 1.262 723 I HN 0.353 nan 8.210 nan 0.000 0.443 724 T N 5.750 120.314 114.554 0.016 0.000 2.889 724 T HA 0.499 4.849 4.350 0.000 0.000 0.291 724 T C 0.002 174.711 174.700 0.015 0.000 0.995 724 T CA -0.421 61.689 62.100 0.016 0.000 1.092 724 T CB 1.888 70.761 68.868 0.010 0.000 0.954 724 T HN 0.450 nan 8.240 nan 0.000 0.506 725 V N 3.777 123.709 119.914 0.029 0.000 2.483 725 V HA 0.653 4.773 4.120 0.000 0.000 0.297 725 V C 0.091 176.211 176.094 0.043 0.000 1.027 725 V CA -0.870 61.449 62.300 0.033 0.000 0.855 725 V CB 1.745 33.614 31.823 0.078 0.000 0.995 725 V HN 1.158 nan 8.190 nan 0.000 0.424 726 T N 1.140 115.690 114.554 -0.006 0.000 2.912 726 T HA 0.844 5.194 4.350 0.000 0.000 0.299 726 T C -0.128 174.515 174.700 -0.094 0.000 1.052 726 T CA -0.594 61.501 62.100 -0.009 0.000 0.996 726 T CB 2.052 70.904 68.868 -0.027 0.000 1.070 726 T HN 0.935 nan 8.240 nan 0.000 0.465 727 G N 0.022 108.794 108.800 -0.046 0.000 2.498 727 G HA2 0.795 4.755 3.960 0.000 0.000 0.312 727 G HA3 0.795 4.755 3.960 0.000 0.000 0.312 727 G C -1.290 173.485 174.900 -0.209 0.000 1.230 727 G CA -1.010 43.951 45.100 -0.231 0.000 0.968 727 G HN 1.194 nan 8.290 nan 0.000 0.481 728 A N -0.036 122.471 122.820 -0.521 0.000 2.408 728 A HA 0.988 5.308 4.320 0.000 0.000 0.295 728 A C 0.365 177.812 177.584 -0.227 0.000 1.040 728 A CA 0.491 52.380 52.037 -0.245 0.000 0.707 728 A CB 1.212 20.087 19.000 -0.208 0.000 1.235 728 A HN 2.568 nan 8.150 nan 0.000 0.418 729 G N 0.835 109.696 108.800 0.101 0.000 2.250 729 G HA2 0.220 4.180 3.960 0.000 0.000 0.189 729 G HA3 0.220 4.180 3.960 0.000 0.000 0.189 729 G C -0.637 174.486 174.900 0.372 0.000 1.298 729 G CA 0.020 45.258 45.100 0.230 0.000 1.246 729 G HN 1.110 nan 8.290 nan 0.000 0.513 730 E N 0.398 120.833 120.200 0.392 0.000 2.216 730 E HA 0.634 4.984 4.350 0.000 0.000 0.260 730 E C -0.579 176.103 176.600 0.137 0.000 0.880 730 E CA -0.286 56.252 56.400 0.230 0.000 0.765 730 E CB 1.283 31.058 29.700 0.124 0.000 1.174 730 E HN 1.520 nan 8.360 nan 0.000 0.417 731 A N 3.896 126.700 122.820 -0.028 0.000 2.547 731 A HA 0.671 4.991 4.320 0.000 0.000 0.297 731 A C -1.574 176.063 177.584 0.089 0.000 1.056 731 A CA -0.874 51.050 52.037 -0.189 0.000 0.688 731 A CB 1.664 19.907 19.000 -1.262 0.000 1.282 731 A HN 0.427 nan 8.150 nan 0.000 0.400 732 K N 1.326 121.801 120.400 0.125 0.000 2.316 732 K HA 0.526 4.846 4.320 0.000 0.000 0.251 732 K C 0.080 176.760 176.600 0.132 0.000 0.934 732 K CA -0.624 55.731 56.287 0.114 0.000 0.802 732 K CB 1.175 33.693 32.500 0.030 0.000 1.171 732 K HN 0.672 nan 8.250 nan 0.000 0.426 733 N N 2.907 121.636 118.700 0.049 0.000 2.689 733 N HA -0.185 4.555 4.740 0.000 0.000 0.263 733 N C -0.875 174.677 175.510 0.070 0.000 0.987 733 N CA 0.663 53.704 53.050 -0.014 0.000 0.782 733 N CB -0.060 38.421 38.487 -0.010 0.000 0.903 733 N HN 0.537 nan 8.380 nan 0.000 0.547 734 W N -0.497 120.820 121.300 0.028 0.000 2.367 734 W HA 0.673 5.333 4.660 0.000 0.000 0.369 734 W C -0.143 176.444 176.519 0.114 0.000 1.276 734 W CA -0.470 56.929 57.345 0.091 0.000 1.415 734 W CB 0.234 29.835 29.460 0.236 0.000 1.306 734 W HN -0.109 nan 8.180 nan 0.000 0.669 735 T N 2.269 117.145 114.554 0.536 0.000 2.896 735 T HA 0.450 4.800 4.350 0.000 0.000 0.297 735 T C -1.364 173.646 174.700 0.517 0.000 1.108 735 T CA -0.694 61.597 62.100 0.318 0.000 1.004 735 T CB 1.963 70.906 68.868 0.125 0.000 1.159 735 T HN 0.366 nan 8.240 nan 0.000 0.499 736 L N 2.542 123.943 121.223 0.297 0.000 2.415 736 L HA 0.551 4.891 4.340 0.000 0.000 0.268 736 L C -0.922 175.974 176.870 0.043 0.000 0.984 736 L CA -0.506 54.487 54.840 0.254 0.000 0.853 736 L CB 0.595 42.842 42.059 0.313 0.000 1.215 736 L HN 0.896 nan 8.230 nan 0.000 0.419 737 C N 6.802 126.036 119.300 -0.110 0.000 2.285 737 C HA 0.458 4.918 4.460 0.000 0.000 0.335 737 C C 0.543 175.454 174.990 -0.131 0.000 1.267 737 C CA -0.731 58.184 59.018 -0.170 0.000 1.762 737 C CB -0.279 27.248 27.740 -0.355 0.000 2.365 737 C HN 0.723 nan 8.230 nan 0.000 0.527 738 L N 7.932 129.110 121.223 -0.075 0.000 2.387 738 L HA 0.294 4.634 4.340 0.000 0.000 0.267 738 L C 0.747 177.561 176.870 -0.094 0.000 1.197 738 L CA -0.219 54.579 54.840 -0.071 0.000 1.070 738 L CB -0.534 41.507 42.059 -0.031 0.000 1.349 738 L HN 0.632 nan 8.230 nan 0.000 0.422 739 R N 3.439 123.828 120.500 -0.185 0.000 2.500 739 R HA -0.135 4.205 4.340 0.000 0.000 0.281 739 R C 0.770 177.026 176.300 -0.074 0.000 0.953 739 R CA 0.291 56.277 56.100 -0.189 0.000 1.108 739 R CB -0.257 29.748 30.300 -0.492 0.000 0.901 739 R HN 0.622 nan 8.270 nan 0.000 0.410 740 N N -0.522 118.167 118.700 -0.019 0.000 2.708 740 N HA -0.191 4.549 4.740 0.000 0.000 0.251 740 N C -0.812 174.703 175.510 0.009 0.000 1.123 740 N CA 1.010 54.069 53.050 0.015 0.000 0.739 740 N CB -0.867 37.644 38.487 0.040 0.000 1.113 740 N HN 0.252 nan 8.380 nan 0.000 0.561 741 V N 1.618 121.530 119.914 -0.003 0.000 2.311 741 V HA 0.178 4.298 4.120 0.000 0.000 0.275 741 V C 1.824 177.920 176.094 0.003 0.000 1.022 741 V CA -0.366 61.934 62.300 -0.000 0.000 0.830 741 V CB 1.586 33.404 31.823 -0.007 0.000 1.012 741 V HN 0.115 nan 8.190 nan 0.000 0.452 742 V N 2.731 122.650 119.914 0.008 0.000 2.229 742 V HA 0.102 4.222 4.120 0.000 0.000 0.243 742 V C 0.856 176.954 176.094 0.007 0.000 1.042 742 V CA 1.028 63.334 62.300 0.009 0.000 1.000 742 V CB -0.304 31.526 31.823 0.012 0.000 0.637 742 V HN 0.655 nan 8.190 nan 0.000 0.446 743 K N -0.796 119.607 120.400 0.006 0.000 2.375 743 K HA 0.677 4.997 4.320 0.000 0.000 0.249 743 K C -1.456 175.147 176.600 0.005 0.000 0.942 743 K CA -0.566 55.724 56.287 0.005 0.000 0.806 743 K CB 2.598 35.102 32.500 0.006 0.000 1.227 743 K HN 0.216 nan 8.250 nan 0.000 0.430 744 V N 2.364 122.280 119.914 0.004 0.000 2.881 744 V HA 0.242 4.363 4.120 0.000 0.000 0.316 744 V C 0.396 176.492 176.094 0.004 0.000 1.070 744 V CA -0.321 61.981 62.300 0.004 0.000 0.976 744 V CB 1.777 33.602 31.823 0.003 0.000 1.038 744 V HN 0.985 nan 8.190 nan 0.000 0.446 745 N N 2.572 121.274 118.700 0.005 0.000 2.258 745 N HA 0.285 5.025 4.740 0.000 0.000 0.183 745 N C 0.393 175.905 175.510 0.003 0.000 1.029 745 N CA 1.316 54.369 53.050 0.004 0.000 0.857 745 N CB 0.120 38.611 38.487 0.005 0.000 1.008 745 N HN 0.889 nan 8.380 nan 0.000 0.433 746 G N -0.734 108.069 108.800 0.004 0.000 2.680 746 G HA2 0.613 4.573 3.960 0.000 0.000 0.290 746 G HA3 0.613 4.573 3.960 0.000 0.000 0.290 746 G C -1.978 172.924 174.900 0.003 0.000 1.355 746 G CA -0.544 44.558 45.100 0.003 0.000 0.903 746 G HN 0.190 nan 8.290 nan 0.000 0.474 747 L N 0.744 121.968 121.223 0.002 0.000 2.680 747 L HA 0.322 4.662 4.340 0.000 0.000 0.260 747 L C -1.047 175.823 176.870 -0.000 0.000 0.975 747 L CA -0.784 54.057 54.840 0.002 0.000 0.920 747 L CB 1.772 43.829 42.059 -0.002 0.000 1.234 747 L HN 0.406 nan 8.230 nan 0.000 0.429 748 Q N 2.694 122.496 119.800 0.004 0.000 2.267 748 Q HA 0.266 4.606 4.340 0.000 0.000 0.255 748 Q C -0.417 175.585 176.000 0.002 0.000 0.923 748 Q CA -0.137 55.668 55.803 0.003 0.000 0.925 748 Q CB 1.282 30.024 28.738 0.007 0.000 1.195 748 Q HN 0.625 nan 8.270 nan 0.000 0.417 749 D N 0.695 121.092 120.400 -0.004 0.000 2.775 749 D HA -0.097 4.543 4.640 0.000 0.000 0.235 749 D C -0.299 175.985 176.300 -0.027 0.000 1.120 749 D CA 1.597 55.591 54.000 -0.010 0.000 0.708 749 D CB -0.989 39.813 40.800 0.003 0.000 1.084 749 D HN 0.867 nan 8.370 nan 0.000 0.434 750 G N -1.108 107.673 108.800 -0.031 0.000 2.498 750 G HA2 0.511 4.471 3.960 0.000 0.000 0.301 750 G HA3 0.511 4.471 3.960 0.000 0.000 0.301 750 G C -0.664 174.211 174.900 -0.041 0.000 1.577 750 G CA -0.209 44.861 45.100 -0.050 0.000 0.868 750 G HN 0.519 nan 8.290 nan 0.000 0.599 751 S N 0.253 115.921 115.700 -0.053 0.000 2.541 751 S HA 0.718 5.188 4.470 0.000 0.000 0.283 751 S C 0.061 174.639 174.600 -0.036 0.000 1.196 751 S CA -0.650 57.525 58.200 -0.040 0.000 1.062 751 S CB 1.712 64.886 63.200 -0.044 0.000 1.009 751 S HN 1.003 nan 8.310 nan 0.000 0.502 752 Q N 1.061 120.846 119.800 -0.024 0.000 2.240 752 Q HA 0.845 5.185 4.340 0.000 0.000 0.260 752 Q C -1.080 174.911 176.000 -0.015 0.000 1.018 752 Q CA -1.589 54.203 55.803 -0.018 0.000 0.898 752 Q CB 1.806 30.537 28.738 -0.011 0.000 1.301 752 Q HN 1.022 nan 8.270 nan 0.000 0.469 753 A N 0.977 123.790 122.820 -0.011 0.000 2.530 753 A HA 0.303 4.623 4.320 0.000 0.000 0.297 753 A C -1.085 176.497 177.584 -0.002 0.000 1.059 753 A CA -0.786 51.247 52.037 -0.007 0.000 0.782 753 A CB 1.177 20.171 19.000 -0.009 0.000 1.301 753 A HN 0.777 nan 8.150 nan 0.000 0.394 754 E N 0.591 120.792 120.200 0.002 0.000 2.442 754 E HA 0.366 4.716 4.350 0.000 0.000 0.260 754 E C 0.258 176.865 176.600 0.011 0.000 1.148 754 E CA 0.730 57.134 56.400 0.006 0.000 0.976 754 E CB 0.673 30.378 29.700 0.008 0.000 0.967 754 E HN 0.677 nan 8.360 nan 0.000 0.454 755 S N -0.597 115.113 115.700 0.017 0.000 2.565 755 S HA 0.067 4.537 4.470 0.000 0.000 0.269 755 S C 0.225 174.847 174.600 0.036 0.000 1.153 755 S CA -0.651 57.566 58.200 0.028 0.000 0.835 755 S CB 1.183 64.401 63.200 0.030 0.000 1.122 755 S HN 0.595 nan 8.310 nan 0.000 0.462 756 E N 1.587 121.815 120.200 0.048 0.000 2.204 756 E HA -0.132 4.218 4.350 0.000 0.000 0.194 756 E C 1.251 177.890 176.600 0.064 0.000 0.989 756 E CA 0.904 57.336 56.400 0.054 0.000 0.824 756 E CB -0.203 29.534 29.700 0.063 0.000 0.756 756 E HN 0.683 nan 8.360 nan 0.000 0.477 757 Q N 0.669 120.514 119.800 0.074 0.000 2.398 757 Q HA 0.195 4.535 4.340 0.000 0.000 0.204 757 Q C 0.512 176.538 176.000 0.043 0.000 0.932 757 Q CA 0.497 56.349 55.803 0.081 0.000 0.916 757 Q CB 0.943 29.756 28.738 0.125 0.000 1.024 757 Q HN 0.331 nan 8.270 nan 0.000 0.504 758 G N 0.387 109.205 108.800 0.029 0.000 2.339 758 G HA2 0.011 3.971 3.960 0.000 0.000 0.381 758 G HA3 0.011 3.971 3.960 0.000 0.000 0.381 758 G C -1.793 173.106 174.900 -0.001 0.000 1.400 758 G CA -1.187 43.917 45.100 0.007 0.000 1.002 758 G HN 0.004 nan 8.290 nan 0.000 0.633 759 L N -0.057 121.162 121.223 -0.006 0.000 2.578 759 L HA 0.409 4.749 4.340 0.000 0.000 0.279 759 L C 0.592 177.452 176.870 -0.016 0.000 1.227 759 L CA 0.333 55.169 54.840 -0.007 0.000 0.900 759 L CB 0.904 42.959 42.059 -0.005 0.000 1.144 759 L HN 0.544 nan 8.230 nan 0.000 0.496 760 V N 6.313 126.219 119.914 -0.013 0.000 2.334 760 V HA 0.331 4.451 4.120 0.000 0.000 0.281 760 V C -0.157 175.929 176.094 -0.013 0.000 1.016 760 V CA -0.726 61.564 62.300 -0.018 0.000 0.832 760 V CB 1.566 33.381 31.823 -0.014 0.000 0.999 760 V HN 0.483 nan 8.190 nan 0.000 0.439 761 V N 4.962 124.873 119.914 -0.004 0.000 2.439 761 V HA 0.448 4.568 4.120 0.000 0.000 0.282 761 V C 0.115 176.183 176.094 -0.044 0.000 1.039 761 V CA -0.741 61.551 62.300 -0.012 0.000 0.913 761 V CB 1.761 33.589 31.823 0.009 0.000 0.983 761 V HN 0.790 nan 8.190 nan 0.000 0.460 762 K N 7.976 128.325 120.400 -0.085 0.000 2.213 762 K HA 0.478 4.798 4.320 0.000 0.000 0.270 762 K C -2.602 173.867 176.600 -0.218 0.000 1.002 762 K CA -2.331 53.858 56.287 -0.162 0.000 0.868 762 K CB 1.547 33.972 32.500 -0.125 0.000 1.093 762 K HN 0.345 nan 8.250 nan 0.000 0.454 763 P HA 0.074 nan 4.420 nan 0.000 0.276 763 P C -1.101 176.051 177.300 -0.246 0.000 1.253 763 P CA -0.207 62.656 63.100 -0.396 0.000 0.766 763 P CB 0.942 32.118 31.700 -0.873 0.000 0.845 764 Q N 2.711 122.432 119.800 -0.132 0.000 2.363 764 Q HA 0.486 4.826 4.340 0.000 0.000 0.265 764 Q C 0.999 176.973 176.000 -0.043 0.000 1.032 764 Q CA -0.109 55.644 55.803 -0.083 0.000 0.746 764 Q CB 1.517 30.218 28.738 -0.061 0.000 1.237 764 Q HN 0.877 nan 8.270 nan 0.000 0.475 765 G N 3.783 112.565 108.800 -0.030 0.000 2.598 765 G HA2 -0.312 3.648 3.960 0.000 0.000 0.244 765 G HA3 -0.312 3.648 3.960 0.000 0.000 0.244 765 G C -0.338 174.581 174.900 0.031 0.000 1.302 765 G CA -0.202 44.900 45.100 0.004 0.000 0.903 765 G HN 0.581 nan 8.290 nan 0.000 0.575 766 N N 0.501 119.226 118.700 0.042 0.000 2.479 766 N HA 0.739 5.479 4.740 0.000 0.000 0.261 766 N C 0.470 176.009 175.510 0.049 0.000 0.979 766 N CA 0.972 54.060 53.050 0.064 0.000 0.930 766 N CB 1.333 39.861 38.487 0.067 0.000 1.172 766 N HN 1.873 nan 8.380 nan 0.000 0.499 767 A N 3.245 126.100 122.820 0.058 0.000 3.521 767 A HA 0.007 4.327 4.320 0.000 0.000 0.195 767 A C 0.283 177.897 177.584 0.051 0.000 1.335 767 A CA -0.188 51.876 52.037 0.044 0.000 1.205 767 A CB -1.065 17.951 19.000 0.028 0.000 0.861 767 A HN 0.629 nan 8.150 nan 0.000 0.397 768 L N 1.970 123.223 121.223 0.050 0.000 4.178 768 L HA -0.176 4.164 4.340 0.000 0.000 0.482 768 L C 0.319 177.219 176.870 0.050 0.000 1.093 768 L CA 1.125 55.996 54.840 0.052 0.000 0.638 768 L CB -0.856 41.261 42.059 0.097 0.000 1.413 768 L HN 0.781 nan 8.230 nan 0.000 0.754 769 T N 1.350 115.923 114.554 0.032 0.000 2.934 769 T HA 0.687 5.037 4.350 0.000 0.000 0.283 769 T C -0.243 174.470 174.700 0.021 0.000 1.005 769 T CA -0.273 61.843 62.100 0.027 0.000 1.041 769 T CB 1.322 70.202 68.868 0.020 0.000 1.042 769 T HN 0.415 nan 8.240 nan 0.000 0.505 770 I N 0.328 120.909 120.570 0.020 0.000 2.722 770 I HA 0.641 4.811 4.170 0.000 0.000 0.295 770 I C -0.758 175.367 176.117 0.013 0.000 1.161 770 I CA -0.371 60.938 61.300 0.015 0.000 1.032 770 I CB 2.328 40.338 38.000 0.017 0.000 1.244 770 I HN 0.462 nan 8.210 nan 0.000 0.421 771 T N 6.851 121.412 114.554 0.010 0.000 2.758 771 T HA 0.596 4.946 4.350 0.000 0.000 0.285 771 T C 0.013 174.719 174.700 0.009 0.000 0.981 771 T CA -0.405 61.701 62.100 0.010 0.000 0.965 771 T CB 0.746 69.619 68.868 0.008 0.000 0.927 771 T HN 0.500 nan 8.240 nan 0.000 0.448 772 L N 2.963 124.192 121.223 0.010 0.000 2.417 772 L HA 0.451 4.791 4.340 0.000 0.000 0.268 772 L C 1.749 178.624 176.870 0.009 0.000 1.158 772 L CA -0.753 54.093 54.840 0.010 0.000 0.819 772 L CB 0.011 42.077 42.059 0.011 0.000 1.112 772 L HN 0.949 nan 8.230 nan 0.000 0.458 773 H N 0.000 119.075 119.070 0.008 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.053 56.048 0.008 0.000 1.023 773 H CB 0.000 29.767 29.762 0.008 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496