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 1xsi_1_B 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 0.000 176.150 176.300 -0.251 0.000 1.140 1 M CA 0.000 55.160 55.300 -0.232 0.000 0.988 1 M CB 0.000 32.381 32.600 -0.365 0.000 1.302 2 K N 4.990 125.259 120.400 -0.219 0.000 2.339 2 K HA 0.400 4.720 4.320 0.000 0.000 0.286 2 K C 0.171 176.616 176.600 -0.259 0.000 1.050 2 K CA 0.084 56.248 56.287 -0.204 0.000 0.956 2 K CB 0.916 33.328 32.500 -0.146 0.000 0.990 2 K HN 0.709 nan 8.250 nan 0.000 0.475 3 I N 0.055 120.452 120.570 -0.288 0.000 3.570 3 I HA -0.091 4.079 4.170 0.000 0.000 0.270 3 I C 0.904 176.871 176.117 -0.250 0.000 1.162 3 I CA 0.133 61.225 61.300 -0.348 0.000 1.413 3 I CB 0.152 37.797 38.000 -0.591 0.000 1.437 3 I HN 0.491 nan 8.210 nan 0.000 0.457 4 S N 0.539 116.107 115.700 -0.220 0.000 2.645 4 S HA 0.222 4.692 4.470 0.000 0.000 0.266 4 S C -0.411 174.122 174.600 -0.110 0.000 1.258 4 S CA -0.439 57.673 58.200 -0.146 0.000 0.990 4 S CB 1.646 64.761 63.200 -0.140 0.000 0.967 4 S HN 0.236 nan 8.310 nan 0.000 0.556 5 D N -0.112 120.246 120.400 -0.070 0.000 2.408 5 D HA 0.501 5.141 4.640 0.000 0.000 0.261 5 D C 0.760 177.048 176.300 -0.020 0.000 1.190 5 D CA 0.705 54.679 54.000 -0.043 0.000 0.910 5 D CB 0.118 40.904 40.800 -0.024 0.000 1.097 5 D HN 1.074 nan 8.370 nan 0.000 0.522 6 G N 3.794 112.566 108.800 -0.047 0.000 2.692 6 G HA2 -0.387 3.573 3.960 0.000 0.000 0.248 6 G HA3 -0.387 3.573 3.960 0.000 0.000 0.248 6 G C 0.877 175.684 174.900 -0.154 0.000 1.340 6 G CA 0.165 45.225 45.100 -0.065 0.000 0.896 6 G HN 0.561 nan 8.290 nan 0.000 0.570 7 N N -0.712 117.794 118.700 -0.323 0.000 2.396 7 N HA 0.024 4.764 4.740 0.000 0.000 0.180 7 N C 1.843 177.017 175.510 -0.561 0.000 1.028 7 N CA 2.411 55.091 53.050 -0.618 0.000 0.893 7 N CB -0.097 37.713 38.487 -1.128 0.000 0.967 7 N HN 0.610 nan 8.380 nan 0.000 0.440 8 W N -0.558 120.729 121.300 -0.023 0.000 2.842 8 W HA 0.414 5.074 4.660 -0.000 0.000 0.267 8 W C 0.168 176.676 176.519 -0.018 0.000 1.219 8 W CA -0.544 56.790 57.345 -0.017 0.000 1.458 8 W CB 0.457 29.908 29.460 -0.015 0.000 1.006 8 W HN -0.158 nan 8.180 nan 0.000 0.603 9 L N 0.062 121.381 121.223 0.159 0.000 2.256 9 L HA 0.619 4.959 4.340 0.000 0.000 0.261 9 L C -0.417 176.466 176.870 0.021 0.000 1.022 9 L CA -1.292 53.603 54.840 0.092 0.000 0.828 9 L CB 1.817 43.927 42.059 0.085 0.000 1.374 9 L HN -0.329 nan 8.230 nan 0.000 0.436 10 I N 0.148 120.722 120.570 0.006 0.000 2.530 10 I HA 0.228 4.398 4.170 0.000 0.000 0.297 10 I C -0.381 175.711 176.117 -0.042 0.000 1.011 10 I CA -0.936 60.345 61.300 -0.032 0.000 1.107 10 I CB 1.836 39.823 38.000 -0.022 0.000 1.285 10 I HN 0.498 nan 8.210 nan 0.000 0.436 11 Q N 5.179 124.935 119.800 -0.073 0.000 2.310 11 Q HA 0.038 4.378 4.340 0.000 0.000 0.315 11 Q C -2.231 173.736 176.000 -0.055 0.000 1.081 11 Q CA -1.057 54.703 55.803 -0.071 0.000 0.981 11 Q CB -0.277 28.400 28.738 -0.103 0.000 1.184 11 Q HN 0.220 nan 8.270 nan 0.000 0.389 12 P HA -0.024 nan 4.420 nan 0.000 0.262 12 P C 0.644 177.924 177.300 -0.034 0.000 1.182 12 P CA 1.034 64.116 63.100 -0.030 0.000 0.761 12 P CB 0.338 32.024 31.700 -0.024 0.000 0.795 13 G N 2.051 110.835 108.800 -0.027 0.000 2.179 13 G HA2 -0.231 3.729 3.960 0.000 0.000 0.260 13 G HA3 -0.231 3.729 3.960 0.000 0.000 0.260 13 G C -0.142 174.737 174.900 -0.035 0.000 0.977 13 G CA -0.329 44.756 45.100 -0.025 0.000 0.641 13 G HN 0.471 nan 8.290 nan 0.000 0.533 14 L N 0.916 122.111 121.223 -0.048 0.000 2.275 14 L HA 0.445 4.785 4.340 0.000 0.000 0.288 14 L C -0.439 176.398 176.870 -0.056 0.000 1.046 14 L CA -0.904 53.897 54.840 -0.065 0.000 0.805 14 L CB 1.140 43.140 42.059 -0.099 0.000 1.193 14 L HN 0.020 nan 8.230 nan 0.000 0.426 15 N N 4.906 123.570 118.700 -0.061 0.000 2.408 15 N HA 0.578 5.318 4.740 0.000 0.000 0.280 15 N C -0.823 174.644 175.510 -0.070 0.000 1.002 15 N CA -0.394 52.626 53.050 -0.050 0.000 0.907 15 N CB 2.292 40.759 38.487 -0.033 0.000 1.161 15 N HN 0.407 nan 8.380 nan 0.000 0.488 16 L N 2.383 123.565 121.223 -0.068 0.000 2.334 16 L HA 0.693 5.033 4.340 0.000 0.000 0.273 16 L C 0.145 176.884 176.870 -0.218 0.000 1.013 16 L CA -1.119 53.645 54.840 -0.127 0.000 0.816 16 L CB 1.433 43.433 42.059 -0.100 0.000 1.278 16 L HN 0.435 nan 8.230 nan 0.000 0.431 17 I N -1.813 118.599 120.570 -0.262 0.000 2.619 17 I HA 0.558 4.728 4.170 0.000 0.000 0.292 17 I C -1.125 174.853 176.117 -0.231 0.000 1.100 17 I CA -0.642 60.538 61.300 -0.199 0.000 1.043 17 I CB 2.299 40.313 38.000 0.024 0.000 1.239 17 I HN 0.509 nan 8.210 nan 0.000 0.420 18 H N 3.569 122.713 119.070 0.123 0.000 2.622 18 H HA 0.485 5.041 4.556 0.000 0.000 0.363 18 H C -2.717 172.386 175.328 -0.376 0.000 1.151 18 H CA -2.141 53.757 56.048 -0.249 0.000 1.184 18 H CB 2.256 31.884 29.762 -0.224 0.000 1.643 18 H HN 0.412 nan 8.280 nan 0.000 0.531 19 P HA 0.088 nan 4.420 nan 0.000 0.270 19 P C 0.359 176.955 177.300 -1.173 0.000 1.242 19 P CA 0.145 62.744 63.100 -0.834 0.000 0.768 19 P CB 0.996 32.067 31.700 -1.049 0.000 0.820 20 L N 1.717 122.512 121.223 -0.714 0.000 2.766 20 L HA 0.266 4.606 4.340 0.000 0.000 0.241 20 L C 1.021 177.853 176.870 -0.064 0.000 1.080 20 L CA 0.393 54.992 54.840 -0.401 0.000 0.909 20 L CB 0.528 42.501 42.059 -0.143 0.000 1.277 20 L HN 0.393 nan 8.230 nan 0.000 0.510 21 Q N 0.855 120.665 119.800 0.015 0.000 2.268 21 Q HA 0.334 4.674 4.340 0.000 0.000 0.266 21 Q C -1.299 174.935 176.000 0.390 0.000 1.006 21 Q CA -0.331 55.630 55.803 0.264 0.000 0.824 21 Q CB 3.169 31.999 28.738 0.152 0.000 1.306 21 Q HN -0.142 nan 8.270 nan 0.000 0.424 22 V N 5.467 125.694 119.914 0.523 0.000 2.485 22 V HA -0.017 4.103 4.120 0.000 0.000 0.287 22 V C 0.491 176.799 176.094 0.357 0.000 1.022 22 V CA 0.816 63.391 62.300 0.457 0.000 1.067 22 V CB 0.221 32.225 31.823 0.302 0.000 0.967 22 V HN 0.827 nan 8.190 nan 0.000 0.479 23 F N 3.572 123.664 119.950 0.238 0.000 2.500 23 F HA 0.367 4.894 4.527 0.000 0.000 0.285 23 F C 0.903 176.806 175.800 0.171 0.000 1.088 23 F CA 0.547 58.653 58.000 0.177 0.000 1.432 23 F CB 0.566 39.663 39.000 0.163 0.000 1.131 23 F HN 0.553 nan 8.300 nan 0.000 0.582 24 E N 0.441 120.714 120.200 0.122 0.000 2.378 24 E HA 0.456 4.806 4.350 0.000 0.000 0.283 24 E C -2.052 174.718 176.600 0.283 0.000 0.979 24 E CA -0.622 55.804 56.400 0.043 0.000 0.795 24 E CB 2.231 31.875 29.700 -0.093 0.000 1.221 24 E HN -0.139 nan 8.360 nan 0.000 0.428 25 V N 2.832 122.850 119.914 0.173 0.000 2.604 25 V HA 0.554 4.674 4.120 0.000 0.000 0.305 25 V C -0.610 175.581 176.094 0.162 0.000 1.043 25 V CA -0.628 61.776 62.300 0.173 0.000 0.888 25 V CB 1.812 33.697 31.823 0.103 0.000 0.995 25 V HN 0.682 nan 8.190 nan 0.000 0.429 26 E N 2.805 123.109 120.200 0.174 0.000 2.274 26 E HA 0.337 4.687 4.350 0.000 0.000 0.269 26 E C -1.102 175.576 176.600 0.130 0.000 0.891 26 E CA -0.594 55.901 56.400 0.158 0.000 0.784 26 E CB 2.011 31.850 29.700 0.232 0.000 1.225 26 E HN 0.789 nan 8.360 nan 0.000 0.412 27 Q N 3.818 123.683 119.800 0.108 0.000 2.288 27 Q HA 0.166 4.506 4.340 0.000 0.000 0.258 27 Q C -0.935 175.124 176.000 0.099 0.000 0.957 27 Q CA -0.107 55.763 55.803 0.111 0.000 0.919 27 Q CB 0.987 29.781 28.738 0.094 0.000 1.185 27 Q HN 0.459 nan 8.270 nan 0.000 0.408 28 Q N 4.274 124.136 119.800 0.102 0.000 2.508 28 Q HA 0.122 4.462 4.340 0.000 0.000 0.247 28 Q C -0.704 175.344 176.000 0.080 0.000 1.047 28 Q CA -0.538 55.313 55.803 0.079 0.000 0.783 28 Q CB 1.140 29.916 28.738 0.062 0.000 1.172 28 Q HN 0.941 nan 8.270 nan 0.000 0.515 29 D N 2.613 123.055 120.400 0.070 0.000 4.049 29 D HA -0.297 4.343 4.640 0.000 0.000 0.154 29 D C 0.569 176.929 176.300 0.100 0.000 0.764 29 D CA 2.498 56.540 54.000 0.070 0.000 1.058 29 D CB -0.604 40.230 40.800 0.057 0.000 0.472 29 D HN 0.746 nan 8.370 nan 0.000 0.449 30 N N 1.757 120.530 118.700 0.122 0.000 2.276 30 N HA 0.081 4.821 4.740 0.000 0.000 0.212 30 N C -0.490 175.219 175.510 0.332 0.000 1.127 30 N CA 0.284 53.443 53.050 0.181 0.000 0.834 30 N CB 0.094 38.674 38.487 0.154 0.000 1.014 30 N HN 0.525 nan 8.380 nan 0.000 0.491 31 E N 0.094 120.456 120.200 0.269 0.000 2.312 31 E HA 0.365 4.715 4.350 0.000 0.000 0.267 31 E C -1.105 175.640 176.600 0.242 0.000 0.894 31 E CA -0.720 55.844 56.400 0.274 0.000 0.773 31 E CB 2.546 32.320 29.700 0.123 0.000 1.241 31 E HN 0.059 nan 8.360 nan 0.000 0.432 32 M N 2.628 122.369 119.600 0.235 0.000 2.227 32 M HA 0.385 4.865 4.480 0.000 0.000 0.335 32 M C -1.673 174.747 176.300 0.199 0.000 1.053 32 M CA -0.827 54.615 55.300 0.236 0.000 0.973 32 M CB 1.339 34.126 32.600 0.311 0.000 1.623 32 M HN 0.279 nan 8.290 nan 0.000 0.434 33 V N 5.590 125.574 119.914 0.116 0.000 2.417 33 V HA 0.511 4.631 4.120 0.000 0.000 0.291 33 V C -0.603 175.489 176.094 -0.003 0.000 1.024 33 V CA -0.727 61.561 62.300 -0.020 0.000 0.861 33 V CB 1.736 33.468 31.823 -0.150 0.000 0.985 33 V HN 0.652 nan 8.190 nan 0.000 0.436 34 V N 5.284 125.208 119.914 0.018 0.000 2.409 34 V HA 0.446 4.566 4.120 0.000 0.000 0.291 34 V C -0.964 175.143 176.094 0.021 0.000 1.020 34 V CA -0.818 61.562 62.300 0.133 0.000 0.848 34 V CB 1.379 33.398 31.823 0.327 0.000 0.990 34 V HN 0.730 nan 8.190 nan 0.000 0.430 35 Y N 2.815 123.285 120.300 0.284 0.000 2.327 35 Y HA 0.680 5.230 4.550 0.000 0.000 0.336 35 Y C 0.543 176.655 175.900 0.354 0.000 1.035 35 Y CA -0.369 57.911 58.100 0.300 0.000 1.165 35 Y CB 1.517 40.175 38.460 0.330 0.000 1.181 35 Y HN 0.714 nan 8.280 nan 0.000 0.494 36 A N 2.397 125.469 122.820 0.420 0.000 2.359 36 A HA 0.843 5.163 4.320 0.000 0.000 0.303 36 A C -0.765 176.957 177.584 0.229 0.000 1.066 36 A CA -0.676 51.545 52.037 0.307 0.000 0.730 36 A CB 0.521 19.598 19.000 0.127 0.000 1.211 36 A HN 0.813 nan 8.150 nan 0.000 0.439 37 A N 3.445 126.365 122.820 0.167 0.000 2.316 37 A HA 0.755 5.075 4.320 0.000 0.000 0.284 37 A C -1.969 175.651 177.584 0.060 0.000 1.115 37 A CA -1.664 50.430 52.037 0.094 0.000 0.812 37 A CB 0.301 19.335 19.000 0.057 0.000 1.064 37 A HN 0.514 nan 8.150 nan 0.000 0.489 38 P HA 0.098 nan 4.420 nan 0.000 0.255 38 P C -0.213 177.086 177.300 -0.001 0.000 1.301 38 P CA 0.438 63.576 63.100 0.064 0.000 0.817 38 P CB -0.219 31.545 31.700 0.107 0.000 1.259 39 R N -2.945 117.539 120.500 -0.026 0.000 2.741 39 R HA 0.434 4.774 4.340 0.000 0.000 0.274 39 R C -1.483 174.770 176.300 -0.078 0.000 1.029 39 R CA -0.935 55.118 56.100 -0.080 0.000 0.880 39 R CB -0.376 29.844 30.300 -0.134 0.000 1.264 39 R HN -0.364 nan 8.270 nan 0.000 0.465 40 D N 1.132 121.445 120.400 -0.146 0.000 2.382 40 D HA 0.144 4.784 4.640 0.000 0.000 0.259 40 D C 0.347 176.612 176.300 -0.059 0.000 1.224 40 D CA 0.017 53.952 54.000 -0.108 0.000 0.894 40 D CB 1.396 42.097 40.800 -0.164 0.000 1.127 40 D HN 0.510 nan 8.370 nan 0.000 0.487 41 V N 1.688 121.643 119.914 0.069 0.000 2.925 41 V HA 0.332 4.452 4.120 0.000 0.000 0.361 41 V C 1.564 177.793 176.094 0.225 0.000 1.361 41 V CA -0.530 61.864 62.300 0.156 0.000 1.184 41 V CB -0.031 31.845 31.823 0.088 0.000 1.245 41 V HN 0.365 nan 8.190 nan 0.000 0.575 42 R N 1.106 121.717 120.500 0.184 0.000 2.096 42 R HA 0.039 4.379 4.340 0.000 0.000 0.235 42 R C 0.494 176.904 176.300 0.183 0.000 1.127 42 R CA 1.393 57.597 56.100 0.174 0.000 0.968 42 R CB 0.157 30.524 30.300 0.113 0.000 0.861 42 R HN 0.696 nan 8.270 nan 0.000 0.440 43 E N 0.079 120.412 120.200 0.222 0.000 2.231 43 E HA 0.154 4.504 4.350 0.000 0.000 0.277 43 E C 0.475 177.178 176.600 0.171 0.000 0.999 43 E CA -0.488 56.029 56.400 0.196 0.000 0.827 43 E CB 1.259 31.101 29.700 0.236 0.000 1.101 43 E HN 0.083 nan 8.360 nan 0.000 0.393 44 R N 0.773 121.328 120.500 0.090 0.000 2.152 44 R HA -0.126 4.214 4.340 0.000 0.000 0.232 44 R C 2.078 178.363 176.300 -0.025 0.000 1.117 44 R CA 1.241 57.369 56.100 0.046 0.000 0.981 44 R CB -0.346 29.969 30.300 0.026 0.000 0.870 44 R HN 0.507 nan 8.270 nan 0.000 0.451 45 T N -0.661 113.825 114.554 -0.113 0.000 2.915 45 T HA -0.125 4.225 4.350 0.000 0.000 0.269 45 T C 1.011 175.461 174.700 -0.417 0.000 1.071 45 T CA 0.943 62.850 62.100 -0.321 0.000 1.132 45 T CB -0.091 68.494 68.868 -0.471 0.000 0.878 45 T HN 0.468 nan 8.240 nan 0.000 0.479 46 W N 1.199 122.494 121.300 -0.008 0.000 3.290 46 W HA 0.335 4.995 4.660 0.000 0.000 0.287 46 W C 1.396 177.886 176.519 -0.048 0.000 1.288 46 W CA -0.685 56.648 57.345 -0.020 0.000 1.725 46 W CB 0.232 29.688 29.460 -0.008 0.000 1.103 46 W HN 0.211 nan 8.180 nan 0.000 0.670 47 Q N 1.685 121.541 119.800 0.095 0.000 2.642 47 Q HA 0.243 4.583 4.340 0.000 0.000 0.319 47 Q C -0.533 175.435 176.000 -0.053 0.000 1.030 47 Q CA 0.148 55.939 55.803 -0.020 0.000 0.943 47 Q CB -0.621 28.102 28.738 -0.025 0.000 1.323 47 Q HN 0.279 nan 8.270 nan 0.000 0.419 48 L N -5.406 115.806 121.223 -0.017 0.000 2.947 48 L HA 0.421 4.761 4.340 0.000 0.000 0.267 48 L C -1.187 175.693 176.870 0.016 0.000 1.004 48 L CA -1.094 53.732 54.840 -0.024 0.000 0.937 48 L CB 1.100 43.136 42.059 -0.038 0.000 1.496 48 L HN -0.148 nan 8.230 nan 0.000 0.409 49 D N 0.080 120.485 120.400 0.009 0.000 2.689 49 D HA -0.157 4.483 4.640 0.000 0.000 0.237 49 D C -0.216 176.117 176.300 0.055 0.000 1.148 49 D CA 1.783 55.803 54.000 0.033 0.000 0.656 49 D CB -0.598 40.227 40.800 0.042 0.000 1.050 49 D HN 0.982 nan 8.370 nan 0.000 0.426 50 T N -0.921 113.650 114.554 0.028 0.000 2.932 50 T HA 0.516 4.866 4.350 0.000 0.000 0.318 50 T C -2.553 172.139 174.700 -0.013 0.000 1.265 50 T CA -1.232 60.879 62.100 0.018 0.000 1.036 50 T CB 1.859 70.740 68.868 0.023 0.000 1.209 50 T HN -0.232 nan 8.240 nan 0.000 0.484 51 P HA 0.554 nan 4.420 nan 0.000 0.274 51 P C -1.232 175.992 177.300 -0.127 0.000 1.256 51 P CA -0.768 62.281 63.100 -0.085 0.000 0.795 51 P CB 0.501 32.096 31.700 -0.176 0.000 1.038 52 L N 0.790 121.915 121.223 -0.164 0.000 2.464 52 L HA 0.436 4.776 4.340 0.000 0.000 0.266 52 L C -1.143 175.645 176.870 -0.137 0.000 0.965 52 L CA -0.730 54.063 54.840 -0.078 0.000 0.833 52 L CB 1.400 43.465 42.059 0.009 0.000 1.296 52 L HN 0.295 nan 8.230 nan 0.000 0.405 53 F N 1.140 121.126 119.950 0.060 0.000 2.379 53 F HA 0.389 4.916 4.527 0.000 0.000 0.332 53 F C 0.673 176.523 175.800 0.083 0.000 1.096 53 F CA -0.191 57.838 58.000 0.049 0.000 1.105 53 F CB 1.897 40.888 39.000 -0.014 0.000 1.189 53 F HN 0.266 nan 8.300 nan 0.000 0.515 54 T N 4.692 119.373 114.554 0.212 0.000 2.842 54 T HA 0.512 4.862 4.350 0.000 0.000 0.308 54 T C -0.572 174.118 174.700 -0.017 0.000 1.041 54 T CA -0.531 61.582 62.100 0.022 0.000 0.964 54 T CB 0.344 69.209 68.868 -0.006 0.000 0.972 54 T HN 0.152 nan 8.240 nan 0.000 0.460 55 L N 3.406 124.596 121.223 -0.056 0.000 2.289 55 L HA 0.580 4.920 4.340 0.000 0.000 0.285 55 L C 0.498 177.199 176.870 -0.282 0.000 1.049 55 L CA -0.367 54.372 54.840 -0.169 0.000 0.804 55 L CB 0.946 42.963 42.059 -0.071 0.000 1.195 55 L HN 0.429 nan 8.230 nan 0.000 0.428 56 R N 2.827 123.094 120.500 -0.388 0.000 2.437 56 R HA 0.586 4.926 4.340 0.000 0.000 0.310 56 R C -1.571 174.462 176.300 -0.445 0.000 0.955 56 R CA -0.505 55.428 56.100 -0.279 0.000 0.851 56 R CB 0.873 31.058 30.300 -0.191 0.000 1.161 56 R HN 0.365 nan 8.270 nan 0.000 0.446 57 F N 5.849 125.702 119.950 -0.163 0.000 2.436 57 F HA 0.528 5.055 4.527 0.000 0.000 0.340 57 F C -0.284 175.098 175.800 -0.697 0.000 1.113 57 F CA -0.490 57.224 58.000 -0.476 0.000 1.022 57 F CB 1.309 39.931 39.000 -0.631 0.000 1.128 57 F HN 0.448 nan 8.300 nan 0.000 0.466 58 F N -0.315 119.184 119.950 -0.752 0.000 2.741 58 F HA 0.703 5.230 4.527 0.000 0.000 0.313 58 F C -1.121 174.666 175.800 -0.021 0.000 1.153 58 F CA -1.614 56.149 58.000 -0.395 0.000 0.931 58 F CB 1.440 40.377 39.000 -0.105 0.000 1.335 58 F HN 0.240 nan 8.300 nan 0.000 0.460 59 S N 1.681 117.553 115.700 0.287 0.000 2.707 59 S HA 0.566 5.036 4.470 0.000 0.000 0.303 59 S C -2.225 172.454 174.600 0.131 0.000 1.132 59 S CA -1.415 56.883 58.200 0.163 0.000 1.046 59 S CB 1.488 64.865 63.200 0.295 0.000 1.004 59 S HN 0.585 nan 8.310 nan 0.000 0.483 60 P HA 0.154 nan 4.420 nan 0.000 0.235 60 P C -0.489 176.749 177.300 -0.103 0.000 1.177 60 P CA 0.570 63.671 63.100 0.001 0.000 0.785 60 P CB 0.289 31.937 31.700 -0.086 0.000 0.885 61 Q N -0.583 119.099 119.800 -0.196 0.000 2.391 61 Q HA 0.168 4.508 4.340 0.000 0.000 0.279 61 Q C -0.462 175.463 176.000 -0.126 0.000 1.028 61 Q CA -0.669 55.032 55.803 -0.169 0.000 0.836 61 Q CB 1.768 30.350 28.738 -0.262 0.000 1.414 61 Q HN 0.022 nan 8.270 nan 0.000 0.397 62 E N 0.383 120.536 120.200 -0.078 0.000 2.608 62 E HA 0.001 4.351 4.350 0.000 0.000 0.259 62 E C 0.601 177.163 176.600 -0.064 0.000 0.951 62 E CA 1.787 58.153 56.400 -0.057 0.000 0.945 62 E CB 0.251 29.922 29.700 -0.048 0.000 0.916 62 E HN 0.812 nan 8.360 nan 0.000 0.477 63 G N 4.394 113.170 108.800 -0.040 0.000 2.168 63 G HA2 -0.261 3.699 3.960 0.000 0.000 0.257 63 G HA3 -0.261 3.699 3.960 0.000 0.000 0.257 63 G C 0.322 175.204 174.900 -0.029 0.000 0.997 63 G CA 0.530 45.616 45.100 -0.024 0.000 0.708 63 G HN 0.522 nan 8.290 nan 0.000 0.520 64 I N 0.555 121.084 120.570 -0.067 0.000 2.382 64 I HA 0.396 4.566 4.170 0.000 0.000 0.286 64 I C 0.017 176.128 176.117 -0.010 0.000 1.002 64 I CA -1.023 60.219 61.300 -0.097 0.000 1.135 64 I CB 2.024 39.807 38.000 -0.361 0.000 1.288 64 I HN -0.147 nan 8.210 nan 0.000 0.448 65 V N 5.459 125.411 119.914 0.063 0.000 2.370 65 V HA 0.445 4.565 4.120 0.000 0.000 0.279 65 V C 0.736 176.780 176.094 -0.084 0.000 1.029 65 V CA -0.536 61.818 62.300 0.090 0.000 0.870 65 V CB 1.452 33.444 31.823 0.281 0.000 0.984 65 V HN 0.877 nan 8.190 nan 0.000 0.451 66 G N 3.829 112.367 108.800 -0.438 0.000 2.353 66 G HA2 0.521 4.481 3.960 0.000 0.000 0.284 66 G HA3 0.521 4.481 3.960 0.000 0.000 0.284 66 G C -0.753 173.655 174.900 -0.819 0.000 1.172 66 G CA -0.220 44.252 45.100 -1.047 0.000 0.854 66 G HN 0.579 nan 8.290 nan 0.000 0.485 67 V N 3.249 122.669 119.914 -0.823 0.000 2.443 67 V HA 0.493 4.613 4.120 0.000 0.000 0.293 67 V C 0.111 175.849 176.094 -0.593 0.000 1.021 67 V CA -0.900 60.925 62.300 -0.792 0.000 0.848 67 V CB 1.418 32.679 31.823 -0.938 0.000 0.998 67 V HN 0.821 nan 8.190 nan 0.000 0.424 68 R N 4.814 125.098 120.500 -0.360 0.000 2.337 68 R HA 0.691 5.031 4.340 0.000 0.000 0.319 68 R C -1.286 174.957 176.300 -0.095 0.000 0.954 68 R CA -0.589 55.449 56.100 -0.104 0.000 0.840 68 R CB 1.544 31.831 30.300 -0.021 0.000 1.164 68 R HN 0.804 nan 8.270 nan 0.000 0.472 69 I N 2.514 123.113 120.570 0.047 0.000 2.378 69 I HA 0.378 4.548 4.170 0.000 0.000 0.291 69 I C -1.082 175.173 176.117 0.230 0.000 0.992 69 I CA -0.127 61.228 61.300 0.092 0.000 1.154 69 I CB 1.604 39.636 38.000 0.053 0.000 1.315 69 I HN 0.643 nan 8.210 nan 0.000 0.448 70 E N 6.092 126.430 120.200 0.229 0.000 2.222 70 E HA 0.264 4.614 4.350 0.000 0.000 0.267 70 E C -0.574 176.161 176.600 0.225 0.000 0.884 70 E CA -0.573 55.971 56.400 0.240 0.000 0.764 70 E CB 1.910 31.689 29.700 0.130 0.000 1.169 70 E HN 0.716 nan 8.360 nan 0.000 0.413 71 H N 3.212 122.275 119.070 -0.012 0.000 2.560 71 H HA 0.210 4.766 4.556 0.000 0.000 0.324 71 H C -0.278 174.973 175.328 -0.128 0.000 1.329 71 H CA 0.122 55.950 56.048 -0.365 0.000 2.007 71 H CB 0.321 29.517 29.762 -0.943 0.000 1.551 71 H HN 0.311 nan 8.280 nan 0.000 0.623 72 F N 1.818 121.519 119.950 -0.415 0.000 2.394 72 F HA 0.229 4.756 4.527 0.000 0.000 0.340 72 F C 1.333 177.072 175.800 -0.101 0.000 1.105 72 F CA -0.426 57.372 58.000 -0.337 0.000 1.124 72 F CB 1.565 40.384 39.000 -0.301 0.000 1.145 72 F HN 0.409 nan 8.300 nan 0.000 0.505 73 Q N 1.641 121.504 119.800 0.105 0.000 2.425 73 Q HA 0.083 4.423 4.340 0.000 0.000 0.204 73 Q C 1.876 177.893 176.000 0.028 0.000 0.933 73 Q CA 0.472 56.301 55.803 0.043 0.000 0.939 73 Q CB 0.264 29.000 28.738 -0.004 0.000 1.044 73 Q HN 1.012 nan 8.270 nan 0.000 0.513 74 G N 0.548 109.361 108.800 0.022 0.000 2.920 74 G HA2 0.187 4.147 3.960 0.000 0.000 0.208 74 G HA3 0.187 4.147 3.960 0.000 0.000 0.208 74 G C 0.518 175.442 174.900 0.040 0.000 1.159 74 G CA 0.318 45.411 45.100 -0.012 0.000 0.784 74 G HN 0.328 nan 8.290 nan 0.000 0.535 75 A N -0.238 122.645 122.820 0.105 0.000 2.429 75 A HA 0.471 4.791 4.320 0.000 0.000 0.242 75 A C 1.534 179.178 177.584 0.100 0.000 1.088 75 A CA -0.339 51.774 52.037 0.126 0.000 0.784 75 A CB 0.391 19.504 19.000 0.188 0.000 1.038 75 A HN 0.188 nan 8.150 nan 0.000 0.501 76 L N 0.500 121.783 121.223 0.100 0.000 2.093 76 L HA -0.148 4.192 4.340 0.000 0.000 0.208 76 L C 0.285 177.220 176.870 0.108 0.000 1.085 76 L CA 0.776 55.668 54.840 0.087 0.000 0.755 76 L CB -0.605 41.502 42.059 0.080 0.000 0.904 76 L HN 0.797 nan 8.230 nan 0.000 0.435 77 N N 1.589 120.382 118.700 0.157 0.000 2.669 77 N HA -0.180 4.560 4.740 0.000 0.000 0.266 77 N C -0.559 175.071 175.510 0.200 0.000 1.024 77 N CA 0.550 53.729 53.050 0.216 0.000 0.766 77 N CB -1.436 37.166 38.487 0.193 0.000 0.898 77 N HN 0.360 nan 8.380 nan 0.000 0.548 78 N N 0.048 118.832 118.700 0.139 0.000 2.483 78 N HA 0.357 5.097 4.740 0.000 0.000 0.269 78 N C 1.295 176.761 175.510 -0.073 0.000 1.209 78 N CA 0.211 53.303 53.050 0.071 0.000 0.969 78 N CB 0.578 39.095 38.487 0.050 0.000 1.173 78 N HN 0.406 nan 8.380 nan 0.000 0.475 79 G N 0.443 109.104 108.800 -0.232 0.000 2.611 79 G HA2 0.244 4.204 3.960 0.000 0.000 0.273 79 G HA3 0.244 4.204 3.960 0.000 0.000 0.273 79 G C -2.303 172.383 174.900 -0.356 0.000 1.305 79 G CA -0.534 44.195 45.100 -0.617 0.000 1.010 79 G HN 0.359 nan 8.290 nan 0.000 0.509 80 P HA 0.248 nan 4.420 nan 0.000 0.276 80 P C -0.847 175.984 177.300 -0.781 0.000 1.261 80 P CA -0.163 62.621 63.100 -0.526 0.000 0.800 80 P CB 1.235 32.670 31.700 -0.442 0.000 1.066 81 H N -1.091 117.781 119.070 -0.331 0.000 2.812 81 H HA 0.331 4.887 4.556 0.000 0.000 0.355 81 H C -0.118 174.974 175.328 -0.393 0.000 1.207 81 H CA -0.278 55.581 56.048 -0.316 0.000 1.217 81 H CB 0.222 29.899 29.762 -0.143 0.000 1.874 81 H HN 0.341 nan 8.280 nan 0.000 0.581 82 Y N 1.387 121.602 120.300 -0.141 0.000 2.379 82 Y HA 0.097 4.646 4.550 0.000 0.000 0.337 82 Y C -1.482 174.257 175.900 -0.269 0.000 1.238 82 Y CA -2.386 55.560 58.100 -0.256 0.000 1.405 82 Y CB 0.067 38.416 38.460 -0.184 0.000 1.310 82 Y HN 0.302 nan 8.280 nan 0.000 0.569 83 P HA 0.074 nan 4.420 nan 0.000 0.230 83 P C -0.807 176.349 177.300 -0.239 0.000 1.791 83 P CA 0.000 62.982 63.100 -0.198 0.000 1.020 83 P CB -0.270 31.259 31.700 -0.286 0.000 1.977 84 L N 2.224 123.305 121.223 -0.236 0.000 2.395 84 L HA 0.236 4.576 4.340 0.000 0.000 0.269 84 L C 0.914 177.675 176.870 -0.180 0.000 1.133 84 L CA 0.140 54.741 54.840 -0.400 0.000 0.812 84 L CB -0.068 41.737 42.059 -0.423 0.000 1.125 84 L HN 0.111 nan 8.230 nan 0.000 0.452 85 N N 4.296 122.917 118.700 -0.131 0.000 2.437 85 N HA 0.324 5.064 4.740 0.000 0.000 0.243 85 N C -0.597 174.992 175.510 0.132 0.000 1.041 85 N CA -0.034 53.022 53.050 0.011 0.000 0.940 85 N CB 0.935 39.420 38.487 -0.002 0.000 1.133 85 N HN 0.413 nan 8.380 nan 0.000 0.506 86 I N 3.209 123.843 120.570 0.106 0.000 2.330 86 I HA 0.274 4.444 4.170 0.000 0.000 0.289 86 I C 0.269 176.440 176.117 0.089 0.000 1.001 86 I CA -0.655 60.729 61.300 0.140 0.000 1.193 86 I CB 1.179 39.286 38.000 0.178 0.000 1.345 86 I HN 0.139 nan 8.210 nan 0.000 0.461 87 L N 5.976 127.243 121.223 0.074 0.000 2.395 87 L HA 0.240 4.580 4.340 0.000 0.000 0.269 87 L C 1.114 178.034 176.870 0.082 0.000 1.133 87 L CA -0.503 54.372 54.840 0.059 0.000 0.812 87 L CB 0.776 42.855 42.059 0.034 0.000 1.125 87 L HN 0.606 nan 8.230 nan 0.000 0.452 88 Q N 1.306 121.145 119.800 0.065 0.000 2.408 88 Q HA -0.015 4.325 4.340 0.000 0.000 0.205 88 Q C 0.441 176.483 176.000 0.071 0.000 0.919 88 Q CA 0.658 56.503 55.803 0.070 0.000 0.932 88 Q CB 0.380 29.146 28.738 0.047 0.000 1.058 88 Q HN 0.763 nan 8.270 nan 0.000 0.517 89 D N -0.981 119.453 120.400 0.058 0.000 2.513 89 D HA 0.075 4.715 4.640 0.000 0.000 0.222 89 D C 0.162 176.484 176.300 0.037 0.000 1.210 89 D CA -0.190 53.836 54.000 0.043 0.000 0.825 89 D CB 0.604 41.421 40.800 0.028 0.000 1.037 89 D HN -0.196 nan 8.370 nan 0.000 0.506 90 V N 1.579 121.524 119.914 0.050 0.000 2.673 90 V HA -0.058 4.062 4.120 0.000 0.000 0.303 90 V C 0.768 176.876 176.094 0.023 0.000 1.046 90 V CA 0.036 62.356 62.300 0.033 0.000 1.126 90 V CB 0.961 32.810 31.823 0.044 0.000 0.934 90 V HN 0.145 nan 8.190 nan 0.000 0.487 91 K N 4.749 125.145 120.400 -0.008 0.000 2.312 91 K HA 0.508 4.828 4.320 0.000 0.000 0.287 91 K C -0.652 175.904 176.600 -0.073 0.000 1.062 91 K CA -0.365 55.904 56.287 -0.030 0.000 0.934 91 K CB 0.943 33.423 32.500 -0.033 0.000 1.027 91 K HN 0.650 nan 8.250 nan 0.000 0.478 92 V N 0.323 120.171 119.914 -0.110 0.000 3.130 92 V HA 0.598 4.718 4.120 0.000 0.000 0.310 92 V C -0.764 175.181 176.094 -0.249 0.000 1.158 92 V CA -0.790 61.357 62.300 -0.255 0.000 1.029 92 V CB 1.973 33.534 31.823 -0.437 0.000 1.057 92 V HN 0.677 nan 8.190 nan 0.000 0.436 93 T N 3.546 117.901 114.554 -0.333 0.000 2.823 93 T HA 0.744 5.094 4.350 0.000 0.000 0.279 93 T C -0.456 174.073 174.700 -0.285 0.000 0.998 93 T CA -0.094 61.862 62.100 -0.240 0.000 0.994 93 T CB 1.105 69.867 68.868 -0.176 0.000 0.960 93 T HN 0.672 nan 8.240 nan 0.000 0.448 94 I N 3.627 124.108 120.570 -0.149 0.000 2.439 94 I HA 0.293 4.463 4.170 0.000 0.000 0.283 94 I C -0.102 175.991 176.117 -0.040 0.000 1.023 94 I CA -0.721 60.537 61.300 -0.071 0.000 1.100 94 I CB 1.456 39.476 38.000 0.033 0.000 1.238 94 I HN 0.666 nan 8.210 nan 0.000 0.445 95 E N 4.987 125.161 120.200 -0.044 0.000 2.165 95 E HA 0.345 4.695 4.350 0.000 0.000 0.266 95 E C -1.020 175.578 176.600 -0.004 0.000 0.889 95 E CA -0.848 55.538 56.400 -0.023 0.000 0.756 95 E CB 2.083 31.766 29.700 -0.029 0.000 1.131 95 E HN 0.330 nan 8.360 nan 0.000 0.411 96 N N 3.162 121.867 118.700 0.008 0.000 2.609 96 N HA 0.108 4.848 4.740 0.000 0.000 0.234 96 N C -1.121 174.395 175.510 0.011 0.000 1.001 96 N CA -0.174 52.885 53.050 0.015 0.000 0.926 96 N CB 1.039 39.540 38.487 0.024 0.000 1.130 96 N HN 0.644 nan 8.380 nan 0.000 0.510 97 T N -0.117 114.447 114.554 0.016 0.000 2.937 97 T HA 0.388 4.738 4.350 0.000 0.000 0.283 97 T C 1.142 175.826 174.700 -0.027 0.000 1.012 97 T CA -0.482 61.617 62.100 -0.001 0.000 0.997 97 T CB 0.995 69.868 68.868 0.008 0.000 1.136 97 T HN 0.185 nan 8.240 nan 0.000 0.551 98 E N 0.163 120.335 120.200 -0.048 0.000 2.086 98 E HA -0.159 4.191 4.350 0.000 0.000 0.200 98 E C 2.223 178.751 176.600 -0.120 0.000 1.012 98 E CA 1.627 57.986 56.400 -0.069 0.000 0.812 98 E CB -0.163 29.497 29.700 -0.066 0.000 0.743 98 E HN 0.565 nan 8.360 nan 0.000 0.453 99 R N -1.722 118.651 120.500 -0.212 0.000 2.156 99 R HA 0.175 4.515 4.340 0.000 0.000 0.207 99 R C -0.069 175.955 176.300 -0.459 0.000 1.040 99 R CA 0.509 56.337 56.100 -0.452 0.000 1.013 99 R CB 0.492 30.319 30.300 -0.788 0.000 0.931 99 R HN 0.182 nan 8.270 nan 0.000 0.465 100 Y N -1.655 118.602 120.300 -0.072 0.000 2.571 100 Y HA 0.528 5.078 4.550 0.000 0.000 0.341 100 Y C -0.954 174.879 175.900 -0.112 0.000 1.076 100 Y CA -1.510 56.522 58.100 -0.114 0.000 1.029 100 Y CB 2.085 40.472 38.460 -0.122 0.000 1.308 100 Y HN -0.138 nan 8.280 nan 0.000 0.461 101 A N 2.046 124.883 122.820 0.028 0.000 2.318 101 A HA 0.661 4.981 4.320 0.000 0.000 0.317 101 A C -1.154 176.336 177.584 -0.158 0.000 1.159 101 A CA -0.546 51.461 52.037 -0.050 0.000 0.799 101 A CB 1.250 20.216 19.000 -0.058 0.000 1.194 101 A HN 0.751 nan 8.150 nan 0.000 0.479 102 E N 1.977 122.099 120.200 -0.131 0.000 2.256 102 E HA 0.579 4.929 4.350 0.000 0.000 0.268 102 E C -2.021 174.512 176.600 -0.111 0.000 0.877 102 E CA -0.448 55.840 56.400 -0.186 0.000 0.757 102 E CB 1.342 30.933 29.700 -0.183 0.000 1.183 102 E HN 0.551 nan 8.360 nan 0.000 0.418 103 F N 4.331 124.112 119.950 -0.283 0.000 2.477 103 F HA 0.503 5.030 4.527 0.000 0.000 0.335 103 F C -1.116 174.611 175.800 -0.121 0.000 1.130 103 F CA -0.604 57.293 58.000 -0.171 0.000 0.948 103 F CB 1.126 40.029 39.000 -0.163 0.000 1.154 103 F HN 0.305 nan 8.300 nan 0.000 0.439 104 K N 4.347 124.395 120.400 -0.586 0.000 2.443 104 K HA 0.593 4.913 4.320 0.000 0.000 0.252 104 K C -1.676 174.684 176.600 -0.400 0.000 0.933 104 K CA -0.635 55.450 56.287 -0.336 0.000 0.792 104 K CB 1.919 34.285 32.500 -0.224 0.000 1.185 104 K HN 0.581 nan 8.250 nan 0.000 0.425 105 S N 2.802 118.399 115.700 -0.172 0.000 2.672 105 S HA 0.609 5.079 4.470 0.000 0.000 0.291 105 S C 0.175 174.741 174.600 -0.057 0.000 1.145 105 S CA 0.479 58.612 58.200 -0.111 0.000 1.013 105 S CB 0.896 64.096 63.200 -0.000 0.000 1.017 105 S HN 1.074 nan 8.310 nan 0.000 0.487 106 G N 5.343 114.103 108.800 -0.065 0.000 2.622 106 G HA2 -0.357 3.603 3.960 0.000 0.000 0.307 106 G HA3 -0.357 3.603 3.960 0.000 0.000 0.307 106 G C 0.520 175.393 174.900 -0.046 0.000 1.226 106 G CA 0.799 45.870 45.100 -0.048 0.000 0.997 106 G HN 0.797 nan 8.290 nan 0.000 0.551 107 N N 0.020 118.702 118.700 -0.030 0.000 2.461 107 N HA 0.288 5.028 4.740 0.000 0.000 0.188 107 N C 0.397 175.896 175.510 -0.018 0.000 1.134 107 N CA 0.025 53.059 53.050 -0.026 0.000 0.878 107 N CB 0.282 38.758 38.487 -0.017 0.000 0.972 107 N HN 0.386 nan 8.380 nan 0.000 0.456 108 L N 1.124 122.343 121.223 -0.006 0.000 2.296 108 L HA 0.386 4.726 4.340 0.000 0.000 0.286 108 L C -0.250 176.642 176.870 0.035 0.000 1.023 108 L CA -0.543 54.314 54.840 0.029 0.000 0.812 108 L CB 1.159 43.252 42.059 0.057 0.000 1.223 108 L HN -0.084 nan 8.230 nan 0.000 0.421 109 S N 3.798 119.515 115.700 0.029 0.000 2.566 109 S HA 0.956 5.426 4.470 0.000 0.000 0.298 109 S C -0.538 174.070 174.600 0.013 0.000 1.083 109 S CA -0.462 57.740 58.200 0.004 0.000 0.978 109 S CB 1.787 64.928 63.200 -0.099 0.000 1.073 109 S HN 0.992 nan 8.310 nan 0.000 0.491 110 A N 1.856 124.641 122.820 -0.058 0.000 2.288 110 A HA 0.777 5.097 4.320 0.000 0.000 0.320 110 A C -0.123 177.151 177.584 -0.516 0.000 1.217 110 A CA -0.806 51.003 52.037 -0.379 0.000 0.840 110 A CB 0.709 19.513 19.000 -0.326 0.000 1.179 110 A HN 0.862 nan 8.150 nan 0.000 0.504 111 R N 2.230 122.389 120.500 -0.568 0.000 2.534 111 R HA 0.632 4.972 4.340 0.000 0.000 0.301 111 R C -1.722 174.262 176.300 -0.528 0.000 0.961 111 R CA -0.381 55.409 56.100 -0.516 0.000 0.871 111 R CB 1.846 31.838 30.300 -0.513 0.000 1.170 111 R HN 0.500 nan 8.270 nan 0.000 0.446 112 V N 2.664 122.300 119.914 -0.464 0.000 2.459 112 V HA 0.335 4.455 4.120 0.000 0.000 0.295 112 V C -0.171 175.759 176.094 -0.274 0.000 1.029 112 V CA -0.747 61.247 62.300 -0.510 0.000 0.874 112 V CB 1.874 33.388 31.823 -0.516 0.000 0.985 112 V HN 0.771 nan 8.190 nan 0.000 0.438 113 S N 4.730 120.263 115.700 -0.279 0.000 2.489 113 S HA 0.380 4.850 4.470 0.000 0.000 0.277 113 S C 0.122 174.675 174.600 -0.077 0.000 1.230 113 S CA -0.669 57.520 58.200 -0.018 0.000 1.053 113 S CB 0.473 63.690 63.200 0.027 0.000 0.955 113 S HN 0.636 nan 8.310 nan 0.000 0.488 114 K N 1.684 122.066 120.400 -0.030 0.000 2.117 114 K HA 0.652 4.972 4.320 0.000 0.000 0.240 114 K C 0.966 177.587 176.600 0.035 0.000 1.031 114 K CA -0.317 55.980 56.287 0.017 0.000 0.909 114 K CB 0.383 32.880 32.500 -0.006 0.000 1.097 114 K HN 0.830 nan 8.250 nan 0.000 0.492 115 G N 0.764 109.600 108.800 0.059 0.000 2.568 115 G HA2 -0.322 3.638 3.960 0.000 0.000 0.222 115 G HA3 -0.322 3.638 3.960 0.000 0.000 0.222 115 G C 0.672 175.576 174.900 0.007 0.000 1.321 115 G CA 0.378 45.496 45.100 0.029 0.000 0.893 115 G HN 0.776 nan 8.290 nan 0.000 0.569 116 E N -0.661 119.472 120.200 -0.112 0.000 2.110 116 E HA -0.014 4.336 4.350 0.000 0.000 0.193 116 E C 0.637 176.963 176.600 -0.457 0.000 0.988 116 E CA 1.020 57.196 56.400 -0.373 0.000 0.804 116 E CB -0.087 29.213 29.700 -0.666 0.000 0.745 116 E HN 0.332 nan 8.360 nan 0.000 0.458 117 F N 1.449 121.450 119.950 0.084 0.000 2.395 117 F HA 0.178 4.705 4.527 0.000 0.000 0.347 117 F C 0.130 176.010 175.800 0.133 0.000 1.157 117 F CA -0.921 57.137 58.000 0.097 0.000 1.272 117 F CB 0.014 39.045 39.000 0.052 0.000 1.607 117 F HN 0.104 nan 8.300 nan 0.000 0.571 118 W N 3.016 124.383 121.300 0.111 0.000 2.231 118 W HA 0.300 4.960 4.660 -0.000 0.000 0.341 118 W C -0.512 176.056 176.519 0.083 0.000 1.298 118 W CA 0.531 57.924 57.345 0.081 0.000 1.266 118 W CB 1.107 30.593 29.460 0.044 0.000 1.172 118 W HN 0.380 nan 8.180 nan 0.000 0.568 119 S N 6.942 122.304 115.700 -0.564 0.000 2.548 119 S HA 0.412 4.882 4.470 0.000 0.000 0.278 119 S C -1.725 172.499 174.600 -0.626 0.000 1.150 119 S CA -0.868 57.126 58.200 -0.344 0.000 0.907 119 S CB 0.837 63.960 63.200 -0.129 0.000 1.108 119 S HN 0.546 nan 8.310 nan 0.000 0.459 120 L N 4.444 125.448 121.223 -0.364 0.000 2.294 120 L HA 0.628 4.968 4.340 0.000 0.000 0.283 120 L C -1.396 175.270 176.870 -0.341 0.000 1.015 120 L CA -0.344 54.281 54.840 -0.359 0.000 0.831 120 L CB 0.879 42.884 42.059 -0.090 0.000 1.217 120 L HN 0.691 nan 8.230 nan 0.000 0.420 121 D N 5.006 125.119 120.400 -0.479 0.000 2.362 121 D HA 0.372 5.012 4.640 0.000 0.000 0.247 121 D C -1.107 174.849 176.300 -0.575 0.000 1.050 121 D CA -0.043 53.718 54.000 -0.399 0.000 0.839 121 D CB 2.208 42.839 40.800 -0.282 0.000 1.283 121 D HN 0.218 nan 8.370 nan 0.000 0.477 122 F N 1.688 121.581 119.950 -0.095 0.000 2.411 122 F HA 0.336 4.863 4.527 0.000 0.000 0.352 122 F C -0.229 175.494 175.800 -0.128 0.000 1.123 122 F CA -0.802 57.136 58.000 -0.102 0.000 1.044 122 F CB 1.052 39.992 39.000 -0.101 0.000 1.135 122 F HN -0.044 nan 8.300 nan 0.000 0.461 123 L N 3.493 124.733 121.223 0.028 0.000 2.365 123 L HA 0.519 4.859 4.340 0.000 0.000 0.273 123 L C -0.262 176.601 176.870 -0.011 0.000 1.000 123 L CA -1.063 53.758 54.840 -0.031 0.000 0.819 123 L CB 1.869 43.869 42.059 -0.098 0.000 1.284 123 L HN 0.580 nan 8.230 nan 0.000 0.418 124 R N 2.381 122.873 120.500 -0.013 0.000 2.265 124 R HA 0.358 4.698 4.340 0.000 0.000 0.328 124 R C -0.107 176.180 176.300 -0.021 0.000 0.969 124 R CA -0.245 55.850 56.100 -0.008 0.000 0.832 124 R CB 0.134 30.439 30.300 0.009 0.000 1.139 124 R HN 0.755 nan 8.270 nan 0.000 0.457 125 N N 3.249 121.931 118.700 -0.029 0.000 2.714 125 N HA -0.242 4.498 4.740 0.000 0.000 0.252 125 N C 0.436 175.919 175.510 -0.045 0.000 1.014 125 N CA 0.679 53.707 53.050 -0.036 0.000 0.735 125 N CB -0.721 37.750 38.487 -0.026 0.000 0.924 125 N HN 1.069 nan 8.380 nan 0.000 0.540 126 G N -1.285 107.477 108.800 -0.063 0.000 2.155 126 G HA2 -0.354 3.606 3.960 0.000 0.000 0.257 126 G HA3 -0.354 3.606 3.960 0.000 0.000 0.257 126 G C -0.166 174.692 174.900 -0.070 0.000 0.983 126 G CA 0.709 45.761 45.100 -0.081 0.000 0.676 126 G HN 0.531 nan 8.290 nan 0.000 0.528 127 E N -0.506 119.664 120.200 -0.050 0.000 2.199 127 E HA 0.606 4.956 4.350 0.000 0.000 0.269 127 E C 0.379 176.958 176.600 -0.036 0.000 0.899 127 E CA -0.965 55.411 56.400 -0.039 0.000 0.772 127 E CB 0.692 30.380 29.700 -0.021 0.000 1.155 127 E HN 0.280 nan 8.360 nan 0.000 0.408 128 R N 4.148 124.626 120.500 -0.037 0.000 2.351 128 R HA 0.145 4.485 4.340 0.000 0.000 0.318 128 R C 0.931 177.224 176.300 -0.012 0.000 1.055 128 R CA 0.195 56.276 56.100 -0.032 0.000 0.968 128 R CB 0.053 30.332 30.300 -0.036 0.000 0.974 128 R HN 0.700 nan 8.270 nan 0.000 0.439 129 I N -0.332 120.221 120.570 -0.029 0.000 3.081 129 I HA 0.242 4.412 4.170 0.000 0.000 0.274 129 I C 0.755 176.806 176.117 -0.109 0.000 1.178 129 I CA -0.010 61.257 61.300 -0.054 0.000 1.460 129 I CB 0.590 38.521 38.000 -0.115 0.000 1.137 129 I HN 0.472 nan 8.210 nan 0.000 0.443 130 T N -1.027 113.467 114.554 -0.099 0.000 2.661 130 T HA 0.672 5.022 4.350 0.000 0.000 0.305 130 T C -1.053 173.744 174.700 0.162 0.000 1.535 130 T CA 0.037 62.132 62.100 -0.008 0.000 1.000 130 T CB 1.121 69.909 68.868 -0.132 0.000 1.811 130 T HN 0.755 nan 8.240 nan 0.000 0.471 131 G N 0.470 109.421 108.800 0.250 0.000 2.356 131 G HA2 0.431 4.391 3.960 0.000 0.000 0.300 131 G HA3 0.431 4.391 3.960 0.000 0.000 0.300 131 G C -1.338 173.682 174.900 0.200 0.000 1.331 131 G CA 0.315 45.592 45.100 0.296 0.000 0.905 131 G HN 1.046 nan 8.290 nan 0.000 0.587 132 S N -0.378 115.422 115.700 0.167 0.000 2.530 132 S HA 0.573 5.043 4.470 0.000 0.000 0.322 132 S C 0.130 174.799 174.600 0.115 0.000 1.085 132 S CA -0.350 57.929 58.200 0.133 0.000 1.096 132 S CB 0.889 64.191 63.200 0.170 0.000 0.988 132 S HN 0.581 nan 8.310 nan 0.000 0.466 133 Q N 1.974 121.824 119.800 0.084 0.000 2.368 133 Q HA 0.284 4.624 4.340 0.000 0.000 0.237 133 Q C 0.060 176.141 176.000 0.135 0.000 0.987 133 Q CA -0.451 55.410 55.803 0.097 0.000 0.896 133 Q CB 1.046 29.812 28.738 0.047 0.000 1.241 133 Q HN 0.610 nan 8.270 nan 0.000 0.485 134 V N 2.810 122.847 119.914 0.204 0.000 2.720 134 V HA -0.142 3.978 4.120 0.000 0.000 0.307 134 V C 0.251 176.296 176.094 -0.082 0.000 1.071 134 V CA 1.104 63.498 62.300 0.156 0.000 1.199 134 V CB -0.345 31.598 31.823 0.201 0.000 0.900 134 V HN 0.857 nan 8.190 nan 0.000 0.494 135 K N 3.256 123.493 120.400 -0.273 0.000 3.446 135 K HA -0.162 4.158 4.320 0.000 0.000 0.312 135 K C 0.527 176.889 176.600 -0.396 0.000 1.329 135 K CA 1.133 57.022 56.287 -0.663 0.000 0.935 135 K CB -1.429 30.684 32.500 -0.644 0.000 1.281 135 K HN 0.823 nan 8.250 nan 0.000 0.457 136 N N 1.196 119.789 118.700 -0.178 0.000 2.235 136 N HA 0.014 4.754 4.740 0.000 0.000 0.209 136 N C -0.237 175.065 175.510 -0.347 0.000 1.122 136 N CA 0.342 53.353 53.050 -0.065 0.000 0.845 136 N CB 0.282 38.755 38.487 -0.024 0.000 1.004 136 N HN 0.475 nan 8.380 nan 0.000 0.499 137 N N -0.837 117.520 118.700 -0.571 0.000 2.902 137 N HA 0.709 5.449 4.740 0.000 0.000 0.268 137 N C 0.228 175.158 175.510 -0.966 0.000 1.450 137 N CA -0.450 51.941 53.050 -1.098 0.000 0.819 137 N CB 1.356 39.512 38.487 -0.551 0.000 1.540 137 N HN -0.018 nan 8.380 nan 0.000 0.545 138 G N -1.724 106.527 108.800 -0.915 0.000 2.260 138 G HA2 0.140 4.100 3.960 0.000 0.000 0.250 138 G HA3 0.140 4.100 3.960 0.000 0.000 0.250 138 G C -2.328 172.644 174.900 0.120 0.000 1.340 138 G CA -0.728 44.087 45.100 -0.475 0.000 1.056 138 G HN 0.730 nan 8.290 nan 0.000 0.471 139 Y N 0.061 120.477 120.300 0.194 0.000 2.393 139 Y HA 0.689 5.239 4.550 0.000 0.000 0.341 139 Y C -0.190 175.775 175.900 0.108 0.000 0.988 139 Y CA -1.068 57.117 58.100 0.142 0.000 1.078 139 Y CB 2.236 40.652 38.460 -0.073 0.000 1.203 139 Y HN 0.534 nan 8.280 nan 0.000 0.453 140 V N 6.387 126.185 119.914 -0.194 0.000 2.378 140 V HA 0.303 4.423 4.120 0.000 0.000 0.288 140 V C -0.634 175.199 176.094 -0.435 0.000 1.016 140 V CA -0.874 61.306 62.300 -0.199 0.000 0.840 140 V CB 1.435 33.215 31.823 -0.072 0.000 0.994 140 V HN 0.742 nan 8.190 nan 0.000 0.431 141 Q N 3.477 123.056 119.800 -0.368 0.000 2.390 141 Q HA 0.219 4.559 4.340 0.000 0.000 0.249 141 Q C -0.694 175.232 176.000 -0.123 0.000 0.996 141 Q CA -0.506 55.116 55.803 -0.302 0.000 0.899 141 Q CB 0.920 29.545 28.738 -0.188 0.000 1.216 141 Q HN 0.769 nan 8.270 nan 0.000 0.465 142 D N 3.261 123.624 120.400 -0.061 0.000 2.393 142 D HA 0.062 4.702 4.640 0.000 0.000 0.232 142 D C 0.175 176.465 176.300 -0.017 0.000 1.192 142 D CA 0.073 54.076 54.000 0.005 0.000 0.882 142 D CB 1.413 42.301 40.800 0.146 0.000 1.038 142 D HN 0.521 nan 8.370 nan 0.000 0.499 143 T N 3.124 117.665 114.554 -0.021 0.000 3.085 143 T HA -0.021 4.329 4.350 0.000 0.000 0.263 143 T C 1.488 176.183 174.700 -0.009 0.000 1.127 143 T CA 0.367 62.459 62.100 -0.015 0.000 1.103 143 T CB 0.117 68.977 68.868 -0.014 0.000 0.921 143 T HN 0.416 nan 8.240 nan 0.000 0.510 144 N N 2.494 121.190 118.700 -0.007 0.000 2.250 144 N HA -0.042 4.698 4.740 0.000 0.000 0.181 144 N C 1.352 176.861 175.510 -0.001 0.000 1.017 144 N CA 1.028 54.075 53.050 -0.005 0.000 0.866 144 N CB -0.116 38.366 38.487 -0.009 0.000 0.985 144 N HN 0.555 nan 8.380 nan 0.000 0.429 145 N N -0.270 118.432 118.700 0.003 0.000 2.170 145 N HA 0.054 4.794 4.740 0.000 0.000 0.222 145 N C -0.381 175.122 175.510 -0.011 0.000 1.218 145 N CA 0.027 53.078 53.050 0.002 0.000 0.889 145 N CB 0.385 38.881 38.487 0.015 0.000 1.083 145 N HN -0.264 nan 8.380 nan 0.000 0.520 146 Q N -0.370 119.420 119.800 -0.017 0.000 2.494 146 Q HA -0.190 4.150 4.340 0.000 0.000 0.272 146 Q C -0.983 174.973 176.000 -0.073 0.000 1.145 146 Q CA 0.866 56.651 55.803 -0.031 0.000 0.943 146 Q CB -1.707 27.023 28.738 -0.014 0.000 1.338 146 Q HN 0.579 nan 8.270 nan 0.000 0.492 147 R N 0.303 120.732 120.500 -0.118 0.000 2.732 147 R HA 0.639 4.979 4.340 0.000 0.000 0.278 147 R C -0.234 175.785 176.300 -0.468 0.000 0.976 147 R CA -0.907 55.017 56.100 -0.293 0.000 0.963 147 R CB 1.213 31.311 30.300 -0.336 0.000 1.150 147 R HN 0.054 nan 8.270 nan 0.000 0.478 148 N N 1.309 119.620 118.700 -0.647 0.000 2.240 148 N HA 0.408 5.148 4.740 0.000 0.000 0.302 148 N C -1.427 173.620 175.510 -0.771 0.000 1.106 148 N CA -0.468 52.196 53.050 -0.644 0.000 0.778 148 N CB 1.983 40.222 38.487 -0.414 0.000 1.431 148 N HN 0.394 nan 8.380 nan 0.000 0.479 149 Y N -0.018 120.099 120.300 -0.305 0.000 2.562 149 Y HA 0.490 5.040 4.550 0.000 0.000 0.345 149 Y C -0.077 175.805 175.900 -0.030 0.000 1.045 149 Y CA -0.951 57.066 58.100 -0.140 0.000 1.028 149 Y CB 1.696 40.072 38.460 -0.139 0.000 1.297 149 Y HN 0.168 nan 8.280 nan 0.000 0.463 150 M N 3.311 123.049 119.600 0.230 0.000 2.508 150 M HA 0.505 4.985 4.480 0.000 0.000 0.327 150 M C -1.019 175.426 176.300 0.242 0.000 1.160 150 M CA -0.741 54.710 55.300 0.251 0.000 0.980 150 M CB 1.460 34.168 32.600 0.180 0.000 1.693 150 M HN 0.714 nan 8.290 nan 0.000 0.452 151 F N 0.140 120.088 119.950 -0.003 0.000 2.643 151 F HA 0.894 5.421 4.527 0.000 0.000 0.314 151 F C -1.103 174.577 175.800 -0.200 0.000 1.096 151 F CA -0.917 57.010 58.000 -0.122 0.000 0.953 151 F CB 1.612 40.521 39.000 -0.152 0.000 1.345 151 F HN 0.556 nan 8.300 nan 0.000 0.468 152 E N 0.710 120.596 120.200 -0.523 0.000 2.413 152 E HA 0.608 4.958 4.350 0.000 0.000 0.277 152 E C -1.842 174.368 176.600 -0.649 0.000 0.958 152 E CA -0.797 55.171 56.400 -0.719 0.000 0.779 152 E CB 2.078 31.246 29.700 -0.887 0.000 1.278 152 E HN 0.739 nan 8.360 nan 0.000 0.456 153 R N 2.682 122.948 120.500 -0.390 0.000 2.502 153 R HA 0.475 4.815 4.340 0.000 0.000 0.298 153 R C -0.784 175.448 176.300 -0.114 0.000 1.018 153 R CA -0.671 55.290 56.100 -0.232 0.000 0.899 153 R CB 1.108 31.376 30.300 -0.054 0.000 1.181 153 R HN 0.403 nan 8.270 nan 0.000 0.444 154 L N 2.828 124.032 121.223 -0.031 0.000 2.295 154 L HA 0.314 4.654 4.340 0.000 0.000 0.285 154 L C -0.032 176.918 176.870 0.132 0.000 1.035 154 L CA -0.939 53.974 54.840 0.122 0.000 0.806 154 L CB 1.274 43.484 42.059 0.252 0.000 1.214 154 L HN 0.412 nan 8.230 nan 0.000 0.426 155 D N 3.123 123.596 120.400 0.122 0.000 2.419 155 D HA 0.291 4.931 4.640 0.000 0.000 0.236 155 D C -0.306 176.071 176.300 0.128 0.000 1.165 155 D CA 0.457 54.514 54.000 0.095 0.000 0.882 155 D CB 0.937 41.784 40.800 0.078 0.000 1.201 155 D HN 0.220 nan 8.370 nan 0.000 0.443 156 L N 1.146 122.420 121.223 0.085 0.000 2.362 156 L HA 0.512 4.852 4.340 0.000 0.000 0.275 156 L C 1.006 177.913 176.870 0.063 0.000 0.998 156 L CA -0.827 54.064 54.840 0.085 0.000 0.820 156 L CB 2.041 44.120 42.059 0.034 0.000 1.270 156 L HN 0.328 nan 8.230 nan 0.000 0.415 157 G N 1.639 110.484 108.800 0.076 0.000 2.547 157 G HA2 0.434 4.394 3.960 0.000 0.000 0.291 157 G HA3 0.434 4.394 3.960 0.000 0.000 0.291 157 G C -0.212 174.710 174.900 0.037 0.000 1.211 157 G CA -0.587 44.545 45.100 0.053 0.000 0.950 157 G HN 0.297 nan 8.290 nan 0.000 0.504 158 V N 0.920 120.851 119.914 0.029 0.000 2.557 158 V HA 0.344 4.464 4.120 0.000 0.000 0.301 158 V C 1.669 177.780 176.094 0.029 0.000 1.026 158 V CA 1.642 63.956 62.300 0.024 0.000 1.137 158 V CB 0.185 32.019 31.823 0.019 0.000 0.917 158 V HN 1.799 nan 8.190 nan 0.000 0.484 159 G N 3.568 112.387 108.800 0.031 0.000 2.155 159 G HA2 -0.288 3.672 3.960 0.000 0.000 0.257 159 G HA3 -0.288 3.672 3.960 0.000 0.000 0.257 159 G C 0.190 175.104 174.900 0.022 0.000 0.983 159 G CA 0.413 45.535 45.100 0.037 0.000 0.676 159 G HN 0.873 nan 8.290 nan 0.000 0.528 160 E N 1.665 121.878 120.200 0.021 0.000 2.180 160 E HA 0.472 4.822 4.350 0.000 0.000 0.283 160 E C 0.783 177.361 176.600 -0.036 0.000 1.061 160 E CA 0.235 56.643 56.400 0.014 0.000 0.861 160 E CB 0.244 29.974 29.700 0.050 0.000 1.056 160 E HN 0.391 nan 8.360 nan 0.000 0.407 161 T N 0.577 115.091 114.554 -0.067 0.000 2.902 161 T HA 0.522 4.872 4.350 0.000 0.000 0.283 161 T C -0.096 174.448 174.700 -0.261 0.000 1.009 161 T CA -0.917 61.059 62.100 -0.206 0.000 1.051 161 T CB 1.591 70.260 68.868 -0.332 0.000 0.999 161 T HN 0.139 nan 8.240 nan 0.000 0.474 162 V N 2.581 122.211 119.914 -0.474 0.000 2.581 162 V HA 0.569 4.689 4.120 0.000 0.000 0.303 162 V C -1.156 174.482 176.094 -0.760 0.000 1.041 162 V CA -0.846 61.192 62.300 -0.438 0.000 0.907 162 V CB 0.889 32.473 31.823 -0.398 0.000 0.994 162 V HN 0.936 nan 8.190 nan 0.000 0.442 163 Y N 1.436 121.617 120.300 -0.198 0.000 2.576 163 Y HA 0.854 5.404 4.550 0.000 0.000 0.346 163 Y C 0.764 176.543 175.900 -0.203 0.000 1.018 163 Y CA 0.305 58.291 58.100 -0.190 0.000 1.050 163 Y CB 2.367 40.724 38.460 -0.172 0.000 1.280 163 Y HN 0.981 nan 8.280 nan 0.000 0.474 164 G N 0.190 108.963 108.800 -0.045 0.000 2.501 164 G HA2 -0.140 3.820 3.960 0.000 0.000 0.213 164 G HA3 -0.140 3.820 3.960 0.000 0.000 0.213 164 G C -0.243 174.566 174.900 -0.152 0.000 1.158 164 G CA -0.329 44.724 45.100 -0.078 0.000 1.079 164 G HN 1.131 nan 8.290 nan 0.000 0.586 165 L N -0.138 120.994 121.223 -0.152 0.000 4.560 165 L HA 0.056 4.396 4.340 0.000 0.000 0.415 165 L C 1.343 178.134 176.870 -0.131 0.000 1.123 165 L CA 1.451 56.168 54.840 -0.205 0.000 0.991 165 L CB -1.696 40.156 42.059 -0.345 0.000 2.127 165 L HN 2.886 nan 8.230 nan 0.000 0.765 166 G N -0.024 108.706 108.800 -0.118 0.000 2.483 166 G HA2 -0.133 3.827 3.960 0.000 0.000 0.521 166 G HA3 -0.133 3.827 3.960 0.000 0.000 0.521 166 G C -0.563 174.165 174.900 -0.287 0.000 1.278 166 G CA -0.013 44.983 45.100 -0.173 0.000 0.965 166 G HN 0.305 nan 8.290 nan 0.000 0.504 167 E N 0.964 120.941 120.200 -0.372 0.000 1.932 167 E HA 0.393 4.743 4.350 0.000 0.000 0.275 167 E C 0.445 176.650 176.600 -0.659 0.000 1.159 167 E CA -0.250 55.849 56.400 -0.501 0.000 0.905 167 E CB -0.012 29.429 29.700 -0.432 0.000 1.059 167 E HN 0.470 nan 8.360 nan 0.000 0.400 168 R N 3.393 123.497 120.500 -0.659 0.000 2.778 168 R HA 0.329 4.669 4.340 0.000 0.000 0.277 168 R C -0.206 175.687 176.300 -0.677 0.000 0.977 168 R CA -0.700 55.031 56.100 -0.615 0.000 0.950 168 R CB 0.825 30.959 30.300 -0.276 0.000 1.165 168 R HN 0.450 nan 8.270 nan 0.000 0.474 169 F N -0.195 119.741 119.950 -0.023 0.000 2.653 169 F HA 0.074 4.601 4.527 0.000 0.000 0.304 169 F C 1.308 177.103 175.800 -0.009 0.000 1.092 169 F CA -0.411 57.589 58.000 -0.000 0.000 1.279 169 F CB 0.325 39.350 39.000 0.042 0.000 1.044 169 F HN 0.473 nan 8.300 nan 0.000 0.564 170 T N -1.071 113.530 114.554 0.078 0.000 2.771 170 T HA 0.620 4.970 4.350 0.000 0.000 0.290 170 T C 0.737 175.436 174.700 -0.001 0.000 1.005 170 T CA -0.631 61.491 62.100 0.037 0.000 0.944 170 T CB 0.707 69.576 68.868 0.003 0.000 1.147 170 T HN 0.168 nan 8.240 nan 0.000 0.534 171 A N 0.409 123.222 122.820 -0.012 0.000 2.603 171 A HA 0.175 4.495 4.320 0.000 0.000 0.235 171 A C 1.392 178.947 177.584 -0.048 0.000 1.035 171 A CA -0.336 51.689 52.037 -0.020 0.000 0.755 171 A CB -0.632 18.357 19.000 -0.017 0.000 0.954 171 A HN 0.975 nan 8.150 nan 0.000 0.511 172 L N 3.919 125.124 121.223 -0.031 0.000 2.012 172 L HA -0.065 4.275 4.340 0.000 0.000 0.210 172 L C 1.041 177.824 176.870 -0.146 0.000 1.073 172 L CA 1.860 56.671 54.840 -0.048 0.000 0.748 172 L CB -0.330 41.742 42.059 0.021 0.000 0.891 172 L HN 0.475 nan 8.230 nan 0.000 0.431 173 V N 1.605 121.411 119.914 -0.180 0.000 2.461 173 V HA 0.139 4.259 4.120 0.000 0.000 0.275 173 V C 1.281 177.201 176.094 -0.290 0.000 1.047 173 V CA -0.399 61.649 62.300 -0.420 0.000 0.955 173 V CB 1.126 32.736 31.823 -0.355 0.000 0.988 173 V HN 0.328 nan 8.190 nan 0.000 0.471 174 R N 2.501 122.780 120.500 -0.367 0.000 2.275 174 R HA 0.063 4.403 4.340 0.000 0.000 0.199 174 R C 0.288 176.470 176.300 -0.197 0.000 0.989 174 R CA -0.015 55.931 56.100 -0.256 0.000 1.016 174 R CB -0.442 29.681 30.300 -0.294 0.000 0.918 174 R HN 0.641 nan 8.270 nan 0.000 0.473 175 N N 0.907 119.489 118.700 -0.196 0.000 2.374 175 N HA 0.067 4.807 4.740 0.000 0.000 0.269 175 N C 1.089 176.549 175.510 -0.085 0.000 1.310 175 N CA 1.465 54.438 53.050 -0.130 0.000 0.877 175 N CB 0.276 38.704 38.487 -0.097 0.000 1.096 175 N HN 0.378 nan 8.380 nan 0.000 0.484 176 G N 1.170 109.924 108.800 -0.077 0.000 2.238 176 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 176 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 176 G C -0.327 174.539 174.900 -0.055 0.000 0.996 176 G CA -0.337 44.728 45.100 -0.059 0.000 0.632 176 G HN 0.601 nan 8.290 nan 0.000 0.503 177 Q N 0.728 120.489 119.800 -0.065 0.000 2.257 177 Q HA 0.674 5.014 4.340 0.000 0.000 0.262 177 Q C -0.858 175.123 176.000 -0.032 0.000 0.997 177 Q CA -0.645 55.129 55.803 -0.049 0.000 0.873 177 Q CB 1.717 30.422 28.738 -0.054 0.000 1.312 177 Q HN 0.081 nan 8.270 nan 0.000 0.450 178 T N 1.556 116.102 114.554 -0.013 0.000 2.817 178 T HA 0.383 4.733 4.350 0.000 0.000 0.293 178 T C -0.631 174.090 174.700 0.035 0.000 0.964 178 T CA -0.583 61.526 62.100 0.014 0.000 1.085 178 T CB 0.935 69.804 68.868 0.002 0.000 0.921 178 T HN 0.463 nan 8.240 nan 0.000 0.502 179 V N 2.880 122.847 119.914 0.088 0.000 2.638 179 V HA 0.605 4.725 4.120 0.000 0.000 0.306 179 V C -1.151 175.073 176.094 0.216 0.000 1.052 179 V CA -0.807 61.559 62.300 0.110 0.000 0.885 179 V CB 2.078 33.918 31.823 0.028 0.000 0.999 179 V HN 0.744 nan 8.190 nan 0.000 0.424 180 E N 3.955 124.265 120.200 0.184 0.000 2.113 180 E HA 0.318 4.668 4.350 0.000 0.000 0.273 180 E C -0.071 176.709 176.600 0.299 0.000 0.924 180 E CA -0.306 56.225 56.400 0.219 0.000 0.764 180 E CB 1.694 31.477 29.700 0.138 0.000 1.104 180 E HN 0.926 nan 8.360 nan 0.000 0.406 181 T N 1.023 115.802 114.554 0.376 0.000 2.992 181 T HA 0.277 4.627 4.350 0.000 0.000 0.299 181 T C -0.217 174.788 174.700 0.508 0.000 1.027 181 T CA -0.734 61.600 62.100 0.390 0.000 1.001 181 T CB -0.081 69.037 68.868 0.418 0.000 1.005 181 T HN 0.434 nan 8.240 nan 0.000 0.599 182 W N 4.345 125.767 121.300 0.202 0.000 2.934 182 W HA 0.265 4.925 4.660 0.000 0.000 0.333 182 W C -1.367 175.328 176.519 0.292 0.000 1.035 182 W CA -0.945 56.543 57.345 0.238 0.000 1.256 182 W CB 1.301 30.828 29.460 0.111 0.000 1.306 182 W HN 0.420 nan 8.180 nan 0.000 0.430 183 N N 4.924 123.705 118.700 0.136 0.000 2.412 183 N HA 0.127 4.867 4.740 0.000 0.000 0.258 183 N C -0.324 175.289 175.510 0.173 0.000 1.236 183 N CA 0.667 53.779 53.050 0.103 0.000 0.882 183 N CB 0.659 39.128 38.487 -0.030 0.000 1.066 183 N HN 0.376 nan 8.380 nan 0.000 0.465 184 R N 0.224 120.816 120.500 0.154 0.000 2.740 184 R HA 0.202 4.542 4.340 0.000 0.000 0.273 184 R C -1.231 175.122 176.300 0.089 0.000 0.998 184 R CA -0.795 55.409 56.100 0.173 0.000 0.900 184 R CB 1.583 31.992 30.300 0.183 0.000 1.223 184 R HN 0.381 nan 8.270 nan 0.000 0.466 185 D N 1.165 121.662 120.400 0.163 0.000 2.494 185 D HA 0.203 4.843 4.640 0.000 0.000 0.217 185 D C 0.137 176.460 176.300 0.039 0.000 1.153 185 D CA 0.044 54.132 54.000 0.145 0.000 0.954 185 D CB 0.706 41.675 40.800 0.282 0.000 1.034 185 D HN 0.749 nan 8.370 nan 0.000 0.518 186 G N 1.555 110.234 108.800 -0.201 0.000 3.735 186 G HA2 0.492 4.452 3.960 0.000 0.000 0.283 186 G HA3 0.492 4.452 3.960 0.000 0.000 0.283 186 G C 0.816 175.642 174.900 -0.123 0.000 1.007 186 G CA 0.147 45.188 45.100 -0.098 0.000 0.821 186 G HN 0.799 nan 8.290 nan 0.000 0.505 187 G N 0.285 108.985 108.800 -0.167 0.000 2.645 187 G HA2 -0.061 3.899 3.960 0.000 0.000 0.239 187 G HA3 -0.061 3.899 3.960 0.000 0.000 0.239 187 G C 0.870 175.607 174.900 -0.272 0.000 1.331 187 G CA 0.809 45.893 45.100 -0.026 0.000 0.890 187 G HN 1.200 nan 8.290 nan 0.000 0.572 188 T N -3.982 110.384 114.554 -0.314 0.000 3.044 188 T HA 0.531 4.881 4.350 0.000 0.000 0.260 188 T C 1.419 175.766 174.700 -0.589 0.000 1.019 188 T CA 1.188 62.663 62.100 -1.041 0.000 0.921 188 T CB 0.448 68.807 68.868 -0.849 0.000 1.053 188 T HN 0.952 nan 8.240 nan 0.000 0.533 189 S N 1.694 117.290 115.700 -0.173 0.000 2.593 189 S HA 0.293 4.763 4.470 0.000 0.000 0.236 189 S C 0.772 175.383 174.600 0.018 0.000 0.991 189 S CA -0.145 58.036 58.200 -0.033 0.000 0.963 189 S CB 0.469 63.658 63.200 -0.018 0.000 0.865 189 S HN 0.877 nan 8.310 nan 0.000 0.488 190 T N -0.593 113.988 114.554 0.044 0.000 2.693 190 T HA 0.375 4.725 4.350 0.000 0.000 0.278 190 T C 0.668 175.435 174.700 0.112 0.000 0.994 190 T CA -0.607 61.532 62.100 0.066 0.000 1.033 190 T CB 1.248 70.144 68.868 0.047 0.000 1.342 190 T HN -0.026 nan 8.240 nan 0.000 0.538 191 E N 0.121 120.372 120.200 0.085 0.000 2.482 191 E HA -0.000 4.350 4.350 0.000 0.000 0.196 191 E C 0.278 176.935 176.600 0.094 0.000 1.047 191 E CA 0.279 56.729 56.400 0.083 0.000 0.869 191 E CB -0.131 29.601 29.700 0.055 0.000 0.836 191 E HN 0.730 nan 8.360 nan 0.000 0.520 192 Q N 0.351 120.208 119.800 0.094 0.000 2.396 192 Q HA 0.569 4.909 4.340 0.000 0.000 0.221 192 Q C -0.522 175.523 176.000 0.075 0.000 1.025 192 Q CA -0.056 55.795 55.803 0.080 0.000 0.946 192 Q CB 1.241 30.012 28.738 0.055 0.000 1.224 192 Q HN 0.254 nan 8.270 nan 0.000 0.539 193 A N 0.161 122.997 122.820 0.027 0.000 2.566 193 A HA 0.410 4.730 4.320 0.000 0.000 0.297 193 A C -1.200 176.375 177.584 -0.015 0.000 1.059 193 A CA -0.681 51.362 52.037 0.010 0.000 0.691 193 A CB 0.404 19.399 19.000 -0.008 0.000 1.282 193 A HN 0.764 nan 8.150 nan 0.000 0.401 194 Y N 0.720 121.075 120.300 0.092 0.000 2.475 194 Y HA 0.138 4.688 4.550 0.000 0.000 0.289 194 Y C 0.880 176.769 175.900 -0.017 0.000 1.121 194 Y CA 1.126 59.236 58.100 0.017 0.000 1.257 194 Y CB 0.257 38.675 38.460 -0.070 0.000 1.026 194 Y HN 0.502 nan 8.280 nan 0.000 0.555 195 K N 1.605 122.064 120.400 0.099 0.000 2.579 195 K HA 0.222 4.542 4.320 0.000 0.000 0.225 195 K C -1.042 175.527 176.600 -0.051 0.000 0.992 195 K CA -0.259 56.008 56.287 -0.033 0.000 1.018 195 K CB 0.502 32.878 32.500 -0.207 0.000 1.249 195 K HN 0.102 nan 8.250 nan 0.000 0.489 196 N N 3.464 122.191 118.700 0.045 0.000 2.430 196 N HA 0.411 5.151 4.740 0.000 0.000 0.292 196 N C -0.712 174.865 175.510 0.112 0.000 1.051 196 N CA -0.388 52.711 53.050 0.081 0.000 0.917 196 N CB 1.673 40.266 38.487 0.175 0.000 1.164 196 N HN 0.255 nan 8.380 nan 0.000 0.484 197 I N 2.957 123.582 120.570 0.091 0.000 2.500 197 I HA 0.234 4.404 4.170 0.000 0.000 0.286 197 I C -2.231 173.968 176.117 0.137 0.000 1.063 197 I CA -2.113 59.262 61.300 0.125 0.000 1.062 197 I CB 1.987 40.056 38.000 0.116 0.000 1.223 197 I HN 0.202 nan 8.210 nan 0.000 0.435 198 P HA 0.128 nan 4.420 nan 0.000 0.228 198 P C -0.592 176.871 177.300 0.271 0.000 1.748 198 P CA 0.197 63.516 63.100 0.366 0.000 0.909 198 P CB -0.619 31.433 31.700 0.585 0.000 1.882 199 F N 2.747 122.638 119.950 -0.098 0.000 2.529 199 F HA 0.552 5.079 4.527 0.000 0.000 0.320 199 F C -1.252 174.401 175.800 -0.245 0.000 1.118 199 F CA -1.387 56.486 58.000 -0.212 0.000 0.915 199 F CB 1.487 40.234 39.000 -0.422 0.000 1.161 199 F HN -0.035 nan 8.300 nan 0.000 0.445 200 Y N 5.381 125.040 120.300 -1.068 0.000 2.605 200 Y HA 0.822 5.372 4.550 0.000 0.000 0.343 200 Y C -1.128 174.061 175.900 -1.185 0.000 1.036 200 Y CA -1.739 55.782 58.100 -0.966 0.000 1.065 200 Y CB 1.564 39.672 38.460 -0.588 0.000 1.288 200 Y HN 0.836 nan 8.280 nan 0.000 0.481 201 M N 1.384 120.671 119.600 -0.523 0.000 2.631 201 M HA 0.845 5.325 4.480 0.000 0.000 0.288 201 M C -1.345 174.879 176.300 -0.127 0.000 1.260 201 M CA -0.586 54.449 55.300 -0.441 0.000 0.842 201 M CB 2.627 34.999 32.600 -0.379 0.000 1.743 201 M HN 0.931 nan 8.290 nan 0.000 0.461 202 T N -2.036 112.352 114.554 -0.277 0.000 2.888 202 T HA 0.427 4.777 4.350 0.000 0.000 0.288 202 T C 0.376 175.017 174.700 -0.099 0.000 1.063 202 T CA -0.519 61.504 62.100 -0.129 0.000 1.010 202 T CB 1.155 69.857 68.868 -0.277 0.000 1.214 202 T HN 0.852 nan 8.240 nan 0.000 0.533 203 N N -0.028 118.683 118.700 0.019 0.000 2.515 203 N HA -0.027 4.713 4.740 0.000 0.000 0.191 203 N C 1.072 176.570 175.510 -0.020 0.000 1.182 203 N CA 0.031 53.068 53.050 -0.022 0.000 0.879 203 N CB -0.363 38.137 38.487 0.022 0.000 0.984 203 N HN 0.674 nan 8.380 nan 0.000 0.453 204 R N 0.000 120.485 120.500 -0.026 0.000 2.334 204 R HA 0.150 4.490 4.340 0.000 0.000 0.216 204 R C 0.196 176.549 176.300 0.089 0.000 0.905 204 R CA 0.512 56.651 56.100 0.066 0.000 1.064 204 R CB -0.120 30.296 30.300 0.193 0.000 1.046 204 R HN 0.314 nan 8.270 nan 0.000 0.508 205 G N 0.903 109.692 108.800 -0.018 0.000 2.204 205 G HA2 -0.291 3.669 3.960 0.000 0.000 0.244 205 G HA3 -0.291 3.669 3.960 0.000 0.000 0.244 205 G C -0.604 174.355 174.900 0.099 0.000 1.062 205 G CA 0.516 45.626 45.100 0.017 0.000 0.798 205 G HN 0.483 nan 8.290 nan 0.000 0.496 206 Y N -2.402 117.888 120.300 -0.017 0.000 2.625 206 Y HA 0.816 5.366 4.550 0.000 0.000 0.338 206 Y C 0.266 176.107 175.900 -0.097 0.000 1.123 206 Y CA -1.210 56.868 58.100 -0.036 0.000 1.046 206 Y CB 0.853 39.292 38.460 -0.035 0.000 1.299 206 Y HN 0.747 nan 8.280 nan 0.000 0.464 207 G N 0.109 108.895 108.800 -0.023 0.000 2.658 207 G HA2 0.647 4.607 3.960 0.000 0.000 0.292 207 G HA3 0.647 4.607 3.960 0.000 0.000 0.292 207 G C -1.940 172.811 174.900 -0.247 0.000 1.320 207 G CA -0.783 44.117 45.100 -0.334 0.000 0.933 207 G HN 1.512 nan 8.290 nan 0.000 0.476 208 V N -0.047 119.465 119.914 -0.670 0.000 2.851 208 V HA 0.789 4.909 4.120 0.000 0.000 0.307 208 V C -1.773 174.215 176.094 -0.178 0.000 1.129 208 V CA -0.912 61.186 62.300 -0.336 0.000 0.932 208 V CB 1.629 33.248 31.823 -0.341 0.000 1.024 208 V HN 1.046 nan 8.190 nan 0.000 0.426 209 L N 6.907 128.287 121.223 0.262 0.000 2.322 209 L HA 0.812 5.152 4.340 0.000 0.000 0.281 209 L C -0.855 176.233 176.870 0.364 0.000 1.014 209 L CA -0.115 54.974 54.840 0.415 0.000 0.815 209 L CB 1.985 44.417 42.059 0.622 0.000 1.247 209 L HN 0.587 nan 8.230 nan 0.000 0.421 210 V N 4.822 124.909 119.914 0.289 0.000 2.348 210 V HA 0.283 4.404 4.120 0.000 0.000 0.270 210 V C 0.255 176.594 176.094 0.407 0.000 1.037 210 V CA -0.497 61.941 62.300 0.229 0.000 0.872 210 V CB 0.834 32.654 31.823 -0.005 0.000 1.002 210 V HN 0.825 nan 8.190 nan 0.000 0.464 211 N N 4.645 123.549 118.700 0.341 0.000 3.245 211 N HA 0.083 4.823 4.740 0.000 0.000 0.296 211 N C -0.441 174.963 175.510 -0.177 0.000 1.254 211 N CA 0.050 53.292 53.050 0.319 0.000 1.190 211 N CB -0.344 38.428 38.487 0.474 0.000 1.460 211 N HN 0.698 nan 8.380 nan 0.000 0.538 212 H N 0.943 120.179 119.070 0.277 0.000 3.108 212 H HA 0.227 4.783 4.556 0.000 0.000 0.329 212 H C -2.030 173.264 175.328 -0.056 0.000 0.978 212 H CA -1.319 54.761 56.048 0.053 0.000 1.413 212 H CB 2.171 31.978 29.762 0.075 0.000 1.670 212 H HN 0.277 nan 8.280 nan 0.000 0.512 213 P HA -0.126 nan 4.420 nan 0.000 0.222 213 P C 1.053 178.438 177.300 0.141 0.000 1.153 213 P CA 0.735 63.644 63.100 -0.319 0.000 0.798 213 P CB 0.506 31.871 31.700 -0.559 0.000 0.796 214 Q N 0.102 120.016 119.800 0.191 0.000 2.722 214 Q HA -0.063 4.277 4.340 0.000 0.000 0.214 214 Q C 0.085 176.328 176.000 0.405 0.000 1.109 214 Q CA -0.011 55.995 55.803 0.339 0.000 1.066 214 Q CB -0.688 28.191 28.738 0.235 0.000 1.290 214 Q HN 0.016 nan 8.270 nan 0.000 0.620 215 C N 1.461 121.009 119.300 0.413 0.000 2.638 215 C HA 0.312 4.772 4.460 0.000 0.000 0.410 215 C C -0.008 175.091 174.990 0.182 0.000 1.404 215 C CA -0.393 58.814 59.018 0.315 0.000 1.651 215 C CB -1.254 26.470 27.740 -0.026 0.000 2.495 215 C HN 0.446 nan 8.230 nan 0.000 0.606 216 V N 6.955 127.004 119.914 0.225 0.000 2.427 216 V HA 0.369 4.489 4.120 0.000 0.000 0.286 216 V C 0.385 176.514 176.094 0.059 0.000 1.034 216 V CA -0.078 62.271 62.300 0.082 0.000 0.893 216 V CB 1.776 33.637 31.823 0.062 0.000 0.982 216 V HN 0.901 nan 8.190 nan 0.000 0.452 217 S N 5.184 120.850 115.700 -0.056 0.000 2.415 217 S HA 0.573 5.043 4.470 0.000 0.000 0.313 217 S C -0.760 173.807 174.600 -0.055 0.000 1.067 217 S CA -0.442 57.747 58.200 -0.018 0.000 1.099 217 S CB -0.372 62.784 63.200 -0.074 0.000 0.991 217 S HN 0.403 nan 8.310 nan 0.000 0.491 218 F N 3.237 123.232 119.950 0.076 0.000 2.411 218 F HA 0.392 4.919 4.527 0.000 0.000 0.350 218 F C 0.939 176.739 175.800 -0.000 0.000 1.114 218 F CA -0.502 57.543 58.000 0.076 0.000 1.135 218 F CB 1.127 40.157 39.000 0.051 0.000 1.120 218 F HN 0.391 nan 8.300 nan 0.000 0.495 219 E N 3.848 124.130 120.200 0.137 0.000 2.121 219 E HA 0.230 4.580 4.350 0.000 0.000 0.255 219 E C -0.954 175.659 176.600 0.022 0.000 0.906 219 E CA -0.344 56.078 56.400 0.037 0.000 0.745 219 E CB 1.762 31.443 29.700 -0.031 0.000 1.155 219 E HN 0.241 nan 8.360 nan 0.000 0.424 220 V N 1.730 121.640 119.914 -0.007 0.000 2.299 220 V HA 0.244 4.364 4.120 0.000 0.000 0.255 220 V C 1.342 177.383 176.094 -0.088 0.000 1.100 220 V CA 0.112 62.362 62.300 -0.082 0.000 0.938 220 V CB 0.338 32.064 31.823 -0.161 0.000 1.139 220 V HN 0.911 nan 8.190 nan 0.000 0.490 221 G N 4.531 113.286 108.800 -0.074 0.000 2.233 221 G HA2 -0.307 3.653 3.960 0.000 0.000 0.270 221 G HA3 -0.307 3.653 3.960 0.000 0.000 0.270 221 G C 0.805 175.670 174.900 -0.059 0.000 1.011 221 G CA 0.800 45.861 45.100 -0.065 0.000 0.762 221 G HN 1.010 nan 8.290 nan 0.000 0.511 222 S N -2.120 113.547 115.700 -0.055 0.000 2.512 222 S HA 0.380 4.850 4.470 0.000 0.000 0.216 222 S C 1.306 175.871 174.600 -0.059 0.000 1.006 222 S CA 0.803 58.971 58.200 -0.052 0.000 0.915 222 S CB 0.722 63.896 63.200 -0.044 0.000 0.824 222 S HN 0.589 nan 8.310 nan 0.000 0.497 223 E N 0.964 121.124 120.200 -0.067 0.000 2.419 223 E HA 0.188 4.538 4.350 0.000 0.000 0.197 223 E C -0.534 176.016 176.600 -0.085 0.000 0.920 223 E CA 0.072 56.422 56.400 -0.083 0.000 1.085 223 E CB 0.539 30.177 29.700 -0.105 0.000 1.084 223 E HN 0.057 nan 8.360 nan 0.000 0.490 224 K N 2.381 122.734 120.400 -0.079 0.000 2.281 224 K HA 0.139 4.459 4.320 0.000 0.000 0.272 224 K C 0.988 177.551 176.600 -0.062 0.000 1.048 224 K CA -0.028 56.213 56.287 -0.076 0.000 0.898 224 K CB 1.826 34.283 32.500 -0.070 0.000 1.128 224 K HN 0.168 nan 8.250 nan 0.000 0.460 225 V N 0.395 120.273 119.914 -0.061 0.000 2.720 225 V HA -0.161 3.959 4.120 0.000 0.000 0.256 225 V C 1.099 177.168 176.094 -0.042 0.000 1.082 225 V CA 1.977 64.246 62.300 -0.051 0.000 1.101 225 V CB -0.575 31.220 31.823 -0.048 0.000 0.693 225 V HN 0.646 nan 8.190 nan 0.000 0.479 226 S N -1.403 114.275 115.700 -0.037 0.000 2.651 226 S HA 0.522 4.992 4.470 0.000 0.000 0.246 226 S C -0.021 174.573 174.600 -0.010 0.000 1.039 226 S CA -0.708 57.479 58.200 -0.021 0.000 1.013 226 S CB -0.120 63.070 63.200 -0.016 0.000 0.861 226 S HN 0.695 nan 8.310 nan 0.000 0.485 227 K N 0.357 120.745 120.400 -0.020 0.000 2.508 227 K HA 0.633 4.953 4.320 0.000 0.000 0.260 227 K C -1.483 175.103 176.600 -0.023 0.000 0.949 227 K CA -0.723 55.561 56.287 -0.006 0.000 0.834 227 K CB 2.427 34.919 32.500 -0.013 0.000 1.365 227 K HN 0.029 nan 8.250 nan 0.000 0.437 228 V N 2.474 122.386 119.914 -0.004 0.000 2.364 228 V HA 0.229 4.349 4.120 0.000 0.000 0.272 228 V C -0.306 175.808 176.094 0.034 0.000 1.036 228 V CA -0.479 61.817 62.300 -0.006 0.000 0.880 228 V CB 1.058 32.818 31.823 -0.106 0.000 0.991 228 V HN 0.650 nan 8.190 nan 0.000 0.460 229 Q N 5.181 124.986 119.800 0.008 0.000 2.241 229 Q HA 0.663 5.003 4.340 0.000 0.000 0.254 229 Q C -1.476 174.499 176.000 -0.041 0.000 0.917 229 Q CA -0.559 55.181 55.803 -0.104 0.000 0.919 229 Q CB 1.477 30.172 28.738 -0.071 0.000 1.237 229 Q HN 0.703 nan 8.270 nan 0.000 0.434 230 F N 0.457 120.342 119.950 -0.108 0.000 2.578 230 F HA 0.755 5.282 4.527 0.000 0.000 0.311 230 F C -0.896 174.795 175.800 -0.183 0.000 1.094 230 F CA -0.910 56.885 58.000 -0.341 0.000 0.923 230 F CB 1.663 40.231 39.000 -0.720 0.000 1.230 230 F HN 0.482 nan 8.300 nan 0.000 0.450 231 S N 1.775 117.458 115.700 -0.027 0.000 2.588 231 S HA 0.900 5.370 4.470 0.000 0.000 0.275 231 S C -1.836 172.751 174.600 -0.021 0.000 1.130 231 S CA -0.806 57.397 58.200 0.005 0.000 0.855 231 S CB 1.856 65.011 63.200 -0.076 0.000 1.116 231 S HN 1.555 nan 8.310 nan 0.000 0.472 232 V N 0.636 120.564 119.914 0.023 0.000 2.969 232 V HA 0.520 4.640 4.120 0.000 0.000 0.304 232 V C -1.189 174.950 176.094 0.074 0.000 1.192 232 V CA -0.593 61.684 62.300 -0.039 0.000 0.962 232 V CB 1.929 33.546 31.823 -0.344 0.000 1.045 232 V HN 1.134 nan 8.190 nan 0.000 0.428 233 E N 3.749 123.989 120.200 0.067 0.000 2.029 233 E HA 0.550 4.900 4.350 0.000 0.000 0.276 233 E C -0.554 175.965 176.600 -0.135 0.000 1.163 233 E CA 0.304 56.639 56.400 -0.108 0.000 0.909 233 E CB 0.497 30.096 29.700 -0.168 0.000 1.046 233 E HN 0.780 nan 8.360 nan 0.000 0.406 234 S N 3.097 118.726 115.700 -0.118 0.000 2.597 234 S HA 0.106 4.576 4.470 0.000 0.000 0.274 234 S C -0.127 174.514 174.600 0.068 0.000 1.132 234 S CA -0.692 57.462 58.200 -0.076 0.000 0.835 234 S CB 1.328 64.347 63.200 -0.301 0.000 1.092 234 S HN 0.503 nan 8.310 nan 0.000 0.457 235 E N 0.617 120.925 120.200 0.180 0.000 2.442 235 E HA 0.179 4.529 4.350 0.000 0.000 0.195 235 E C -0.278 176.523 176.600 0.336 0.000 1.030 235 E CA 0.583 57.157 56.400 0.290 0.000 0.869 235 E CB 0.135 30.007 29.700 0.287 0.000 0.857 235 E HN 0.618 nan 8.360 nan 0.000 0.505 236 Y N -1.709 118.705 120.300 0.190 0.000 2.576 236 Y HA 0.636 5.186 4.550 0.000 0.000 0.346 236 Y C -1.015 175.030 175.900 0.241 0.000 1.018 236 Y CA -1.762 56.457 58.100 0.199 0.000 1.050 236 Y CB 0.947 39.504 38.460 0.162 0.000 1.280 236 Y HN -0.224 nan 8.280 nan 0.000 0.474 237 L N 2.509 123.886 121.223 0.257 0.000 2.346 237 L HA 0.609 4.949 4.340 0.000 0.000 0.276 237 L C -1.093 176.060 176.870 0.472 0.000 1.006 237 L CA -0.582 54.436 54.840 0.296 0.000 0.817 237 L CB 1.884 44.107 42.059 0.273 0.000 1.272 237 L HN 0.917 nan 8.230 nan 0.000 0.421 238 E N 3.810 124.361 120.200 0.584 0.000 2.246 238 E HA 0.528 4.878 4.350 0.000 0.000 0.266 238 E C -2.015 174.673 176.600 0.146 0.000 0.880 238 E CA -0.600 55.934 56.400 0.224 0.000 0.762 238 E CB 1.397 31.205 29.700 0.180 0.000 1.180 238 E HN 0.559 nan 8.360 nan 0.000 0.416 239 Y N 1.339 121.534 120.300 -0.176 0.000 2.588 239 Y HA 0.679 5.229 4.550 0.000 0.000 0.343 239 Y C -1.742 173.888 175.900 -0.449 0.000 1.065 239 Y CA -1.517 56.477 58.100 -0.177 0.000 1.038 239 Y CB 0.988 39.460 38.460 0.021 0.000 1.297 239 Y HN 0.243 nan 8.280 nan 0.000 0.467 240 F N 1.486 121.561 119.950 0.208 0.000 2.467 240 F HA 0.619 5.146 4.527 0.000 0.000 0.336 240 F C -0.511 175.334 175.800 0.075 0.000 1.123 240 F CA -1.277 56.759 58.000 0.059 0.000 0.964 240 F CB 1.986 41.062 39.000 0.127 0.000 1.136 240 F HN 0.329 nan 8.300 nan 0.000 0.447 241 V N 5.160 125.126 119.914 0.087 0.000 2.432 241 V HA 0.334 4.454 4.120 0.000 0.000 0.275 241 V C 0.114 176.237 176.094 0.047 0.000 1.043 241 V CA -0.491 61.787 62.300 -0.036 0.000 0.925 241 V CB 1.199 32.766 31.823 -0.427 0.000 0.985 241 V HN 0.545 nan 8.190 nan 0.000 0.466 242 I N 3.719 124.349 120.570 0.100 0.000 2.382 242 I HA 0.339 4.509 4.170 0.000 0.000 0.286 242 I C -0.204 175.984 176.117 0.117 0.000 1.002 242 I CA -0.494 60.871 61.300 0.108 0.000 1.135 242 I CB 1.738 39.855 38.000 0.195 0.000 1.288 242 I HN 0.538 nan 8.210 nan 0.000 0.448 243 D N 4.174 124.619 120.400 0.076 0.000 2.357 243 D HA 0.344 4.984 4.640 0.000 0.000 0.242 243 D C 0.625 176.967 176.300 0.069 0.000 1.153 243 D CA 0.287 54.334 54.000 0.079 0.000 0.918 243 D CB 1.629 42.455 40.800 0.044 0.000 1.181 243 D HN 0.604 nan 8.370 nan 0.000 0.435 244 G N 0.863 109.705 108.800 0.070 0.000 2.601 244 G HA2 0.160 4.120 3.960 0.000 0.000 0.214 244 G HA3 0.160 4.120 3.960 0.000 0.000 0.214 244 G C -1.704 173.208 174.900 0.019 0.000 2.067 244 G CA -0.183 44.941 45.100 0.040 0.000 0.774 244 G HN 0.611 nan 8.290 nan 0.000 0.729 245 P HA 0.218 nan 4.420 nan 0.000 0.259 245 P C -0.201 177.107 177.300 0.014 0.000 1.530 245 P CA 0.286 63.405 63.100 0.032 0.000 1.022 245 P CB 0.210 31.928 31.700 0.030 0.000 1.514 246 T N -4.437 110.114 114.554 -0.005 0.000 2.942 246 T HA 0.469 4.819 4.350 0.000 0.000 0.289 246 T C -2.196 172.481 174.700 -0.039 0.000 1.044 246 T CA -2.349 59.734 62.100 -0.027 0.000 1.023 246 T CB 1.792 70.636 68.868 -0.040 0.000 1.123 246 T HN -0.378 nan 8.240 nan 0.000 0.512 247 P HA -0.084 nan 4.420 nan 0.000 0.216 247 P C 1.282 178.546 177.300 -0.061 0.000 1.153 247 P CA 1.313 64.363 63.100 -0.083 0.000 0.858 247 P CB 0.062 31.679 31.700 -0.139 0.000 0.789 248 K N -0.687 119.671 120.400 -0.071 0.000 2.057 248 K HA -0.084 4.236 4.320 0.000 0.000 0.207 248 K C 2.166 178.737 176.600 -0.048 0.000 1.049 248 K CA 1.526 57.772 56.287 -0.068 0.000 0.931 248 K CB -0.703 31.748 32.500 -0.081 0.000 0.714 248 K HN 0.033 nan 8.250 nan 0.000 0.440 249 A N 0.854 123.652 122.820 -0.036 0.000 1.902 249 A HA -0.121 4.199 4.320 0.000 0.000 0.217 249 A C 2.343 179.927 177.584 0.001 0.000 1.181 249 A CA 1.382 53.406 52.037 -0.022 0.000 0.623 249 A CB -0.697 18.293 19.000 -0.016 0.000 0.818 249 A HN 0.063 nan 8.150 nan 0.000 0.443 250 V N 0.283 120.209 119.914 0.020 0.000 2.252 250 V HA -0.317 3.803 4.120 0.000 0.000 0.249 250 V C 2.570 178.715 176.094 0.085 0.000 1.056 250 V CA 2.195 64.538 62.300 0.072 0.000 1.022 250 V CB -0.869 31.008 31.823 0.090 0.000 0.641 250 V HN 0.591 nan 8.190 nan 0.000 0.445 251 L N -0.019 121.227 121.223 0.038 0.000 2.127 251 L HA -0.208 4.132 4.340 0.000 0.000 0.211 251 L C 2.443 179.303 176.870 -0.017 0.000 1.089 251 L CA 1.830 56.669 54.840 -0.002 0.000 0.757 251 L CB -0.671 41.359 42.059 -0.048 0.000 0.899 251 L HN 0.441 nan 8.230 nan 0.000 0.434 252 D N 0.352 120.734 120.400 -0.029 0.000 2.084 252 D HA -0.183 4.457 4.640 0.000 0.000 0.194 252 D C 2.307 178.578 176.300 -0.048 0.000 0.990 252 D CA 1.430 55.400 54.000 -0.051 0.000 0.826 252 D CB 0.071 40.842 40.800 -0.049 0.000 0.971 252 D HN 0.102 nan 8.370 nan 0.000 0.453 253 R N -1.038 119.450 120.500 -0.021 0.000 2.083 253 R HA -0.191 4.149 4.340 0.000 0.000 0.237 253 R C 2.452 178.749 176.300 -0.006 0.000 1.137 253 R CA 1.360 57.446 56.100 -0.023 0.000 0.951 253 R CB -0.690 29.604 30.300 -0.010 0.000 0.851 253 R HN 0.341 nan 8.270 nan 0.000 0.434 254 Y N 1.854 122.092 120.300 -0.103 0.000 2.165 254 Y HA -0.268 4.282 4.550 0.000 0.000 0.286 254 Y C 2.556 178.324 175.900 -0.219 0.000 1.155 254 Y CA 2.134 60.128 58.100 -0.177 0.000 1.164 254 Y CB -0.444 37.728 38.460 -0.480 0.000 0.978 254 Y HN 0.153 nan 8.280 nan 0.000 0.513 255 T N -1.885 112.498 114.554 -0.284 0.000 2.942 255 T HA -0.095 4.255 4.350 0.000 0.000 0.265 255 T C 2.043 176.570 174.700 -0.288 0.000 1.062 255 T CA 1.010 62.886 62.100 -0.373 0.000 1.139 255 T CB -0.451 68.263 68.868 -0.258 0.000 0.883 255 T HN 0.359 nan 8.240 nan 0.000 0.468 256 R N -0.328 120.066 120.500 -0.177 0.000 2.094 256 R HA -0.114 4.226 4.340 0.000 0.000 0.239 256 R C 2.181 178.422 176.300 -0.099 0.000 1.137 256 R CA 1.630 57.657 56.100 -0.123 0.000 0.943 256 R CB -0.608 29.643 30.300 -0.082 0.000 0.850 256 R HN 0.354 nan 8.270 nan 0.000 0.433 257 F N 1.009 120.761 119.950 -0.331 0.000 2.065 257 F HA -0.216 4.311 4.527 0.000 0.000 0.298 257 F C 2.341 177.863 175.800 -0.464 0.000 1.112 257 F CA 2.258 60.022 58.000 -0.393 0.000 1.212 257 F CB -0.755 37.980 39.000 -0.441 0.000 0.975 257 F HN 0.262 nan 8.300 nan 0.000 0.476 258 T N -3.119 111.035 114.554 -0.667 0.000 2.971 258 T HA 0.531 4.881 4.350 0.000 0.000 0.252 258 T C 0.741 175.100 174.700 -0.569 0.000 1.022 258 T CA 0.383 62.001 62.100 -0.803 0.000 0.980 258 T CB 0.262 68.437 68.868 -1.154 0.000 1.044 258 T HN 0.589 nan 8.240 nan 0.000 0.501 259 G N 1.329 109.831 108.800 -0.497 0.000 2.312 259 G HA2 0.292 4.252 3.960 0.000 0.000 0.322 259 G HA3 0.292 4.252 3.960 0.000 0.000 0.322 259 G C -1.496 173.168 174.900 -0.393 0.000 1.645 259 G CA -1.283 43.577 45.100 -0.399 0.000 0.919 259 G HN 0.300 nan 8.290 nan 0.000 0.699 260 R N 1.636 121.956 120.500 -0.300 0.000 2.390 260 R HA 0.439 4.779 4.340 0.000 0.000 0.291 260 R C -2.405 173.731 176.300 -0.274 0.000 1.070 260 R CA -1.873 54.078 56.100 -0.248 0.000 1.014 260 R CB 0.719 30.925 30.300 -0.157 0.000 1.007 260 R HN 0.326 nan 8.270 nan 0.000 0.466 261 P HA -0.034 nan 4.420 nan 0.000 0.264 261 P C -0.528 176.755 177.300 -0.029 0.000 1.183 261 P CA 0.228 63.241 63.100 -0.145 0.000 0.763 261 P CB 0.463 32.149 31.700 -0.023 0.000 0.807 262 A N 3.472 126.258 122.820 -0.057 0.000 2.322 262 A HA 0.367 4.687 4.320 0.000 0.000 0.269 262 A C -0.300 177.352 177.584 0.113 0.000 1.094 262 A CA -0.444 51.622 52.037 0.048 0.000 0.807 262 A CB -0.071 19.009 19.000 0.134 0.000 1.047 262 A HN 0.565 nan 8.150 nan 0.000 0.487 263 L N 3.266 124.550 121.223 0.101 0.000 2.315 263 L HA 0.444 4.784 4.340 0.000 0.000 0.283 263 L C -2.202 174.679 176.870 0.018 0.000 1.089 263 L CA -1.584 53.272 54.840 0.026 0.000 0.833 263 L CB 0.330 42.409 42.059 0.033 0.000 1.170 263 L HN 0.377 nan 8.230 nan 0.000 0.442 264 P HA 0.318 nan 4.420 nan 0.000 0.277 264 P C -2.698 174.691 177.300 0.150 0.000 1.240 264 P CA -1.511 61.552 63.100 -0.062 0.000 0.798 264 P CB -0.120 31.404 31.700 -0.293 0.000 0.979 265 P HA -0.051 nan 4.420 nan 0.000 0.266 265 P C 0.453 177.748 177.300 -0.009 0.000 1.195 265 P CA 0.266 63.283 63.100 -0.137 0.000 0.768 265 P CB 0.491 31.776 31.700 -0.692 0.000 0.838 266 A N 5.051 127.900 122.820 0.048 0.000 1.948 266 A HA -0.178 4.142 4.320 0.000 0.000 0.220 266 A C 2.035 179.771 177.584 0.254 0.000 1.177 266 A CA 1.645 53.721 52.037 0.065 0.000 0.636 266 A CB -1.619 17.314 19.000 -0.113 0.000 0.815 266 A HN 0.833 nan 8.150 nan 0.000 0.449 267 W N 0.695 122.097 121.300 0.170 0.000 2.374 267 W HA -0.150 4.510 4.660 0.000 0.000 0.288 267 W C 1.964 178.567 176.519 0.140 0.000 1.218 267 W CA 1.355 58.761 57.345 0.102 0.000 1.245 267 W CB -1.462 28.014 29.460 0.026 0.000 1.126 267 W HN 0.521 nan 8.180 nan 0.000 0.545 268 S N 0.822 116.432 115.700 -0.149 0.000 2.440 268 S HA -0.236 4.234 4.470 0.000 0.000 0.238 268 S C 1.480 176.220 174.600 0.233 0.000 1.010 268 S CA 1.002 59.243 58.200 0.068 0.000 0.972 268 S CB -1.432 61.659 63.200 -0.181 0.000 0.774 268 S HN 0.178 nan 8.310 nan 0.000 0.501 269 F N 2.643 122.616 119.950 0.039 0.000 2.771 269 F HA 0.316 4.843 4.527 0.000 0.000 0.299 269 F C 1.920 177.732 175.800 0.020 0.000 1.177 269 F CA 0.017 57.945 58.000 -0.120 0.000 1.450 269 F CB -0.636 38.307 39.000 -0.095 0.000 1.114 269 F HN 0.349 nan 8.300 nan 0.000 0.587 270 G N -0.167 108.765 108.800 0.219 0.000 2.510 270 G HA2 0.347 4.307 3.960 0.000 0.000 0.280 270 G HA3 0.347 4.307 3.960 0.000 0.000 0.280 270 G C -1.116 174.006 174.900 0.370 0.000 1.386 270 G CA -0.597 44.552 45.100 0.081 0.000 1.047 270 G HN -0.008 nan 8.290 nan 0.000 0.527 271 L N -0.297 121.245 121.223 0.532 0.000 2.290 271 L HA 0.535 4.875 4.340 0.000 0.000 0.284 271 L C -1.096 176.006 176.870 0.386 0.000 1.078 271 L CA -0.939 54.151 54.840 0.418 0.000 0.815 271 L CB 0.444 42.692 42.059 0.316 0.000 1.162 271 L HN 0.420 nan 8.230 nan 0.000 0.435 272 W N 6.161 127.483 121.300 0.036 0.000 2.438 272 W HA 0.632 5.292 4.660 0.000 0.000 0.324 272 W C -0.485 175.954 176.519 -0.132 0.000 1.119 272 W CA -0.511 56.790 57.345 -0.074 0.000 1.221 272 W CB 0.908 30.228 29.460 -0.233 0.000 1.253 272 W HN 0.334 nan 8.180 nan 0.000 0.555 273 L N 1.897 123.135 121.223 0.025 0.000 2.409 273 L HA 0.649 4.989 4.340 0.000 0.000 0.262 273 L C -0.584 176.011 176.870 -0.458 0.000 0.992 273 L CA -0.356 54.420 54.840 -0.107 0.000 0.817 273 L CB 2.600 44.673 42.059 0.024 0.000 1.350 273 L HN 0.359 nan 8.230 nan 0.000 0.411 274 T N -0.243 114.076 114.554 -0.392 0.000 2.930 274 T HA 0.276 4.626 4.350 0.000 0.000 0.290 274 T C 1.001 175.483 174.700 -0.364 0.000 1.052 274 T CA 0.062 61.889 62.100 -0.456 0.000 1.017 274 T CB 1.771 70.603 68.868 -0.059 0.000 1.137 274 T HN 0.785 nan 8.240 nan 0.000 0.511 275 T N -0.243 114.097 114.554 -0.357 0.000 3.007 275 T HA 0.141 4.492 4.350 0.000 0.000 0.270 275 T C 0.868 175.600 174.700 0.053 0.000 1.107 275 T CA 0.399 62.391 62.100 -0.181 0.000 1.118 275 T CB -0.227 68.061 68.868 -0.966 0.000 0.889 275 T HN 0.644 nan 8.240 nan 0.000 0.506 276 S N -0.132 115.664 115.700 0.160 0.000 3.859 276 S HA -0.149 4.321 4.470 0.000 0.000 0.678 276 S C -0.042 174.778 174.600 0.367 0.000 1.658 276 S CA 0.130 58.473 58.200 0.238 0.000 1.761 276 S CB -1.246 62.010 63.200 0.093 0.000 0.350 276 S HN 0.467 nan 8.310 nan 0.000 1.312 277 F N 1.818 121.917 119.950 0.248 0.000 2.213 277 F HA 0.212 4.739 4.527 0.000 0.000 0.272 277 F C 2.455 178.575 175.800 0.534 0.000 1.095 277 F CA 1.998 60.257 58.000 0.431 0.000 1.128 277 F CB -1.075 38.178 39.000 0.421 0.000 1.091 277 F HN 0.721 nan 8.300 nan 0.000 0.530 278 T N -0.890 113.577 114.554 -0.144 0.000 3.206 278 T HA 0.212 4.562 4.350 0.000 0.000 0.253 278 T C 0.663 175.218 174.700 -0.241 0.000 1.042 278 T CA 0.249 62.157 62.100 -0.319 0.000 0.931 278 T CB -1.629 66.962 68.868 -0.462 0.000 1.029 278 T HN 0.400 nan 8.240 nan 0.000 0.564 279 T N 0.660 115.195 114.554 -0.033 0.000 2.667 279 T HA 0.274 4.624 4.350 0.000 0.000 0.305 279 T C 0.029 174.768 174.700 0.065 0.000 1.022 279 T CA -0.692 61.374 62.100 -0.055 0.000 0.995 279 T CB 0.088 68.859 68.868 -0.162 0.000 1.026 279 T HN 0.349 nan 8.240 nan 0.000 0.527 280 N N 0.637 119.422 118.700 0.143 0.000 2.498 280 N HA 0.562 5.302 4.740 0.000 0.000 0.287 280 N C -1.427 174.305 175.510 0.370 0.000 1.097 280 N CA -0.711 52.376 53.050 0.061 0.000 0.973 280 N CB 0.762 39.263 38.487 0.024 0.000 1.153 280 N HN 0.792 nan 8.380 nan 0.000 0.472 281 Y N -1.246 119.129 120.300 0.125 0.000 2.424 281 Y HA 0.449 4.999 4.550 0.000 0.000 0.323 281 Y C -1.634 174.336 175.900 0.115 0.000 1.174 281 Y CA -1.396 56.811 58.100 0.178 0.000 1.060 281 Y CB 0.752 39.421 38.460 0.348 0.000 1.314 281 Y HN 0.469 nan 8.280 nan 0.000 0.439 282 D N 0.525 120.999 120.400 0.123 0.000 2.837 282 D HA 0.220 4.860 4.640 0.000 0.000 0.294 282 D C 0.638 177.018 176.300 0.132 0.000 1.158 282 D CA -0.658 53.235 54.000 -0.179 0.000 1.073 282 D CB 0.835 41.460 40.800 -0.292 0.000 1.419 282 D HN 0.665 nan 8.370 nan 0.000 0.584 283 E N -0.618 119.638 120.200 0.093 0.000 2.160 283 E HA -0.190 4.160 4.350 0.000 0.000 0.195 283 E C 1.731 178.344 176.600 0.023 0.000 0.991 283 E CA 1.559 58.068 56.400 0.181 0.000 0.810 283 E CB -0.251 29.521 29.700 0.119 0.000 0.742 283 E HN 0.467 nan 8.360 nan 0.000 0.466 284 A N -0.080 122.716 122.820 -0.040 0.000 1.975 284 A HA -0.068 4.252 4.320 0.000 0.000 0.215 284 A C 2.285 179.769 177.584 -0.166 0.000 1.170 284 A CA 1.421 53.404 52.037 -0.090 0.000 0.656 284 A CB -0.583 18.370 19.000 -0.079 0.000 0.821 284 A HN 0.364 nan 8.150 nan 0.000 0.449 285 T N -0.148 114.288 114.554 -0.197 0.000 2.708 285 T HA -0.141 4.209 4.350 0.000 0.000 0.266 285 T C 1.834 176.151 174.700 -0.637 0.000 1.037 285 T CA 1.596 63.432 62.100 -0.440 0.000 1.146 285 T CB -0.693 67.981 68.868 -0.324 0.000 0.865 285 T HN 0.109 nan 8.240 nan 0.000 0.435 286 V N 2.662 122.364 119.914 -0.354 0.000 2.237 286 V HA -0.210 3.910 4.120 0.000 0.000 0.245 286 V C 2.652 178.523 176.094 -0.373 0.000 1.046 286 V CA 1.744 63.774 62.300 -0.450 0.000 1.007 286 V CB -0.718 30.870 31.823 -0.392 0.000 0.638 286 V HN 0.438 nan 8.190 nan 0.000 0.445 287 N N 0.143 118.704 118.700 -0.232 0.000 2.104 287 N HA -0.173 4.567 4.740 0.000 0.000 0.190 287 N C 2.188 177.640 175.510 -0.097 0.000 1.024 287 N CA 1.849 54.811 53.050 -0.147 0.000 0.853 287 N CB -0.518 37.909 38.487 -0.101 0.000 1.008 287 N HN 0.522 nan 8.380 nan 0.000 0.424 288 S N -0.053 115.569 115.700 -0.130 0.000 2.402 288 S HA -0.099 4.371 4.470 0.000 0.000 0.233 288 S C 1.719 176.434 174.600 0.190 0.000 1.030 288 S CA 0.887 59.060 58.200 -0.045 0.000 1.003 288 S CB -0.237 62.888 63.200 -0.125 0.000 0.813 288 S HN 0.176 nan 8.310 nan 0.000 0.477 289 F N 1.301 121.282 119.950 0.051 0.000 2.219 289 F HA 0.293 4.820 4.527 0.000 0.000 0.294 289 F C 2.154 178.055 175.800 0.168 0.000 1.086 289 F CA -0.346 57.770 58.000 0.193 0.000 1.330 289 F CB -1.126 37.950 39.000 0.126 0.000 1.047 289 F HN 0.209 nan 8.300 nan 0.000 0.495 290 I N 0.187 120.873 120.570 0.193 0.000 2.163 290 I HA -0.307 3.863 4.170 0.000 0.000 0.243 290 I C 2.031 178.190 176.117 0.070 0.000 1.085 290 I CA 1.558 62.906 61.300 0.080 0.000 1.347 290 I CB -0.525 37.439 38.000 -0.060 0.000 1.044 290 I HN 0.006 nan 8.210 nan 0.000 0.408 291 D N 1.033 121.454 120.400 0.036 0.000 2.117 291 D HA -0.135 4.505 4.640 0.000 0.000 0.197 291 D C 2.243 178.524 176.300 -0.031 0.000 0.987 291 D CA 1.601 55.596 54.000 -0.007 0.000 0.829 291 D CB -0.685 40.096 40.800 -0.032 0.000 0.961 291 D HN 0.425 nan 8.370 nan 0.000 0.460 292 G N 0.583 109.383 108.800 -0.000 0.000 2.432 292 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 292 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 292 G C 1.570 176.331 174.900 -0.233 0.000 1.135 292 G CA 0.527 45.448 45.100 -0.299 0.000 0.767 292 G HN 0.116 nan 8.290 nan 0.000 0.550 293 M N 0.996 120.695 119.600 0.165 0.000 2.077 293 M HA 0.074 4.554 4.480 0.000 0.000 0.261 293 M C 3.087 179.425 176.300 0.063 0.000 1.070 293 M CA 1.425 56.852 55.300 0.212 0.000 1.125 293 M CB -1.185 31.549 32.600 0.222 0.000 1.339 293 M HN 0.306 nan 8.290 nan 0.000 0.409 294 A N 0.350 123.183 122.820 0.021 0.000 1.902 294 A HA -0.179 4.141 4.320 0.000 0.000 0.217 294 A C 1.994 179.558 177.584 -0.034 0.000 1.181 294 A CA 1.792 53.822 52.037 -0.012 0.000 0.623 294 A CB -0.842 18.143 19.000 -0.024 0.000 0.818 294 A HN 0.585 nan 8.150 nan 0.000 0.443 295 E N -0.655 119.504 120.200 -0.068 0.000 2.171 295 E HA -0.196 4.154 4.350 0.000 0.000 0.197 295 E C 1.798 178.351 176.600 -0.077 0.000 0.997 295 E CA 1.225 57.571 56.400 -0.091 0.000 0.810 295 E CB -0.126 29.483 29.700 -0.152 0.000 0.738 295 E HN 0.545 nan 8.360 nan 0.000 0.467 296 R N 0.140 120.602 120.500 -0.063 0.000 2.362 296 R HA 0.133 4.473 4.340 0.000 0.000 0.227 296 R C -0.178 176.137 176.300 0.024 0.000 0.905 296 R CA -0.057 56.029 56.100 -0.023 0.000 1.067 296 R CB 0.367 30.662 30.300 -0.008 0.000 1.078 296 R HN 0.064 nan 8.270 nan 0.000 0.516 297 N N 0.968 119.678 118.700 0.017 0.000 2.783 297 N HA -0.169 4.571 4.740 0.000 0.000 0.247 297 N C -1.070 174.471 175.510 0.051 0.000 1.089 297 N CA 0.802 53.867 53.050 0.025 0.000 0.690 297 N CB -1.306 37.192 38.487 0.019 0.000 0.991 297 N HN 0.270 nan 8.380 nan 0.000 0.552 298 L N 0.727 121.992 121.223 0.070 0.000 2.283 298 L HA 0.390 4.730 4.340 0.000 0.000 0.281 298 L C -1.994 174.910 176.870 0.056 0.000 1.033 298 L CA -1.558 53.341 54.840 0.099 0.000 0.848 298 L CB 1.007 43.165 42.059 0.166 0.000 1.226 298 L HN -0.278 nan 8.230 nan 0.000 0.429 299 P HA 0.102 nan 4.420 nan 0.000 0.266 299 P C -0.910 176.291 177.300 -0.166 0.000 1.195 299 P CA -0.079 62.992 63.100 -0.048 0.000 0.768 299 P CB 0.771 32.538 31.700 0.112 0.000 0.838 300 L N 3.537 124.467 121.223 -0.488 0.000 2.505 300 L HA 0.358 4.698 4.340 0.000 0.000 0.266 300 L C -0.314 176.179 176.870 -0.629 0.000 0.954 300 L CA -0.021 54.592 54.840 -0.378 0.000 0.852 300 L CB 1.598 43.601 42.059 -0.094 0.000 1.282 300 L HN 0.392 nan 8.230 nan 0.000 0.403 301 H N 3.038 122.124 119.070 0.027 0.000 3.255 301 H HA 0.556 5.112 4.556 0.000 0.000 0.256 301 H C -0.661 174.574 175.328 -0.156 0.000 1.049 301 H CA 0.154 56.186 56.048 -0.027 0.000 1.202 301 H CB 0.968 30.762 29.762 0.053 0.000 1.497 301 H HN 0.219 nan 8.280 nan 0.000 0.503 302 V N 0.774 120.606 119.914 -0.136 0.000 2.733 302 V HA 0.249 4.369 4.120 0.000 0.000 0.306 302 V C -1.512 174.487 176.094 -0.158 0.000 1.084 302 V CA -0.996 61.082 62.300 -0.370 0.000 0.905 302 V CB 2.491 33.628 31.823 -1.143 0.000 1.010 302 V HN 0.090 nan 8.190 nan 0.000 0.424 303 F N 3.215 123.025 119.950 -0.234 0.000 2.482 303 F HA 0.739 5.266 4.527 0.000 0.000 0.331 303 F C -0.363 175.370 175.800 -0.112 0.000 1.115 303 F CA -0.409 57.501 58.000 -0.151 0.000 0.955 303 F CB 1.596 40.497 39.000 -0.164 0.000 1.136 303 F HN 0.744 nan 8.300 nan 0.000 0.452 304 H N 5.131 123.695 119.070 -0.843 0.000 2.481 304 H HA 0.443 4.999 4.556 0.000 0.000 0.333 304 H C -1.633 173.376 175.328 -0.531 0.000 1.066 304 H CA -0.647 55.121 56.048 -0.466 0.000 1.209 304 H CB 0.873 30.412 29.762 -0.371 0.000 1.445 304 H HN 0.489 nan 8.280 nan 0.000 0.488 305 F N 3.807 123.389 119.950 -0.614 0.000 2.411 305 F HA 0.179 4.706 4.527 0.000 0.000 0.355 305 F C 0.680 176.153 175.800 -0.545 0.000 1.117 305 F CA -0.296 57.502 58.000 -0.337 0.000 1.139 305 F CB 0.855 39.751 39.000 -0.173 0.000 1.120 305 F HN 0.653 nan 8.300 nan 0.000 0.493 306 D N 1.069 121.459 120.400 -0.017 0.000 2.511 306 D HA 0.205 4.845 4.640 0.000 0.000 0.276 306 D C 1.040 177.544 176.300 0.340 0.000 1.220 306 D CA -0.427 53.717 54.000 0.241 0.000 1.077 306 D CB 0.965 41.984 40.800 0.365 0.000 1.126 306 D HN 0.583 nan 8.370 nan 0.000 0.583 307 C N -0.294 118.870 119.300 -0.227 0.000 2.392 307 C HA -0.197 4.263 4.460 0.000 0.000 0.276 307 C C 2.305 176.774 174.990 -0.868 0.000 1.212 307 C CA 0.478 58.748 59.018 -1.245 0.000 1.791 307 C CB -1.323 25.140 27.740 -2.130 0.000 2.063 307 C HN 0.492 nan 8.230 nan 0.000 0.481 308 F N 1.368 121.303 119.950 -0.026 0.000 2.795 308 F HA 0.015 4.542 4.527 0.000 0.000 0.303 308 F C 2.078 178.066 175.800 0.313 0.000 1.186 308 F CA 0.146 58.215 58.000 0.115 0.000 1.415 308 F CB -0.712 38.215 39.000 -0.122 0.000 1.106 308 F HN 0.583 nan 8.300 nan 0.000 0.558 309 W N -0.361 121.137 121.300 0.330 0.000 2.392 309 W HA -0.009 4.651 4.660 0.000 0.000 0.279 309 W C 0.171 176.720 176.519 0.050 0.000 1.225 309 W CA 0.384 57.793 57.345 0.108 0.000 1.233 309 W CB -0.808 28.350 29.460 -0.503 0.000 1.122 309 W HN -0.021 nan 8.180 nan 0.000 0.561 310 M N 1.227 120.548 119.600 -0.464 0.000 2.573 310 M HA 0.293 4.773 4.480 0.000 0.000 0.309 310 M C 0.174 176.538 176.300 0.107 0.000 1.202 310 M CA -0.642 54.456 55.300 -0.337 0.000 0.975 310 M CB 1.685 33.919 32.600 -0.611 0.000 1.600 310 M HN -0.392 nan 8.290 nan 0.000 0.479 311 K N 1.175 121.629 120.400 0.089 0.000 2.350 311 K HA 0.385 4.705 4.320 0.000 0.000 0.279 311 K C -0.276 176.247 176.600 -0.128 0.000 1.027 311 K CA -0.394 55.932 56.287 0.065 0.000 0.969 311 K CB 0.789 33.321 32.500 0.053 0.000 0.954 311 K HN 0.729 nan 8.250 nan 0.000 0.474 312 A N 2.809 125.467 122.820 -0.270 0.000 2.561 312 A HA 0.049 4.369 4.320 0.000 0.000 0.234 312 A C 0.044 177.139 177.584 -0.816 0.000 1.055 312 A CA 0.253 51.751 52.037 -0.899 0.000 0.756 312 A CB -0.565 17.930 19.000 -0.841 0.000 0.986 312 A HN 0.804 nan 8.150 nan 0.000 0.505 313 F N -1.272 118.080 119.950 -0.997 0.000 2.794 313 F HA -0.231 4.296 4.527 0.000 0.000 0.335 313 F C 1.198 176.736 175.800 -0.437 0.000 0.653 313 F CA 1.675 59.283 58.000 -0.652 0.000 1.266 313 F CB -1.896 36.862 39.000 -0.402 0.000 1.666 313 F HN 0.741 nan 8.300 nan 0.000 0.314 314 Q N -1.450 118.165 119.800 -0.308 0.000 2.159 314 Q HA 0.073 4.413 4.340 0.000 0.000 0.217 314 Q C -0.227 175.841 176.000 0.114 0.000 0.818 314 Q CA -0.419 55.360 55.803 -0.040 0.000 1.008 314 Q CB 0.358 29.101 28.738 0.009 0.000 1.148 314 Q HN 0.275 nan 8.270 nan 0.000 0.491 315 W N 0.355 121.632 121.300 -0.038 0.000 2.443 315 W HA -0.030 4.630 4.660 0.000 0.000 0.335 315 W C 0.746 177.386 176.519 0.202 0.000 1.382 315 W CA -0.684 56.691 57.345 0.050 0.000 1.305 315 W CB -0.217 29.293 29.460 0.083 0.000 1.283 315 W HN 0.216 nan 8.180 nan 0.000 0.567 316 C N 3.869 123.370 119.300 0.335 0.000 4.657 316 C HA -0.250 4.210 4.460 0.000 0.000 0.299 316 C C 1.361 176.292 174.990 -0.098 0.000 1.259 316 C CA 0.754 59.753 59.018 -0.032 0.000 2.148 316 C CB -2.261 25.458 27.740 -0.035 0.000 1.207 316 C HN 0.740 nan 8.230 nan 0.000 0.764 317 D N -1.252 119.134 120.400 -0.022 0.000 2.369 317 D HA 0.158 4.798 4.640 0.000 0.000 0.211 317 D C 0.939 177.406 176.300 0.279 0.000 1.077 317 D CA 0.173 54.318 54.000 0.241 0.000 0.842 317 D CB -0.280 40.687 40.800 0.277 0.000 0.947 317 D HN 0.539 nan 8.370 nan 0.000 0.509 318 F N 0.207 120.200 119.950 0.072 0.000 2.914 318 F HA -0.214 4.313 4.527 0.000 0.000 0.304 318 F C -0.322 175.540 175.800 0.103 0.000 0.712 318 F CA 0.474 58.516 58.000 0.070 0.000 1.211 318 F CB -2.311 36.770 39.000 0.134 0.000 1.515 318 F HN 0.042 nan 8.300 nan 0.000 0.350 319 E N -0.102 120.184 120.200 0.143 0.000 2.115 319 E HA 0.234 4.584 4.350 0.000 0.000 0.282 319 E C -0.402 176.314 176.600 0.192 0.000 0.987 319 E CA -0.901 55.643 56.400 0.239 0.000 0.797 319 E CB 0.495 30.329 29.700 0.223 0.000 1.086 319 E HN 0.208 nan 8.360 nan 0.000 0.397 320 W N 2.622 124.134 121.300 0.354 0.000 2.295 320 W HA -0.054 4.606 4.660 0.000 0.000 0.335 320 W C 0.897 177.598 176.519 0.302 0.000 1.351 320 W CA 0.178 57.766 57.345 0.404 0.000 1.273 320 W CB 0.240 29.915 29.460 0.358 0.000 1.214 320 W HN 0.418 nan 8.180 nan 0.000 0.563 321 D N 5.063 125.796 120.400 0.556 0.000 2.412 321 D HA -0.011 4.629 4.640 0.000 0.000 0.257 321 D C -1.450 175.099 176.300 0.415 0.000 1.217 321 D CA -1.356 52.895 54.000 0.417 0.000 0.897 321 D CB 1.240 42.277 40.800 0.396 0.000 1.132 321 D HN 0.075 nan 8.370 nan 0.000 0.493 322 P HA 0.027 nan 4.420 nan 0.000 0.231 322 P C 1.267 178.650 177.300 0.139 0.000 1.168 322 P CA 0.546 63.775 63.100 0.214 0.000 0.779 322 P CB 0.298 32.095 31.700 0.162 0.000 0.844 323 L N -1.901 119.389 121.223 0.111 0.000 2.298 323 L HA 0.032 4.372 4.340 0.000 0.000 0.209 323 L C 1.996 178.853 176.870 -0.021 0.000 1.084 323 L CA 1.212 56.076 54.840 0.040 0.000 0.816 323 L CB -1.378 40.698 42.059 0.028 0.000 0.967 323 L HN -0.055 nan 8.230 nan 0.000 0.460 324 T N -0.356 114.181 114.554 -0.028 0.000 2.809 324 T HA 0.017 4.367 4.350 0.000 0.000 0.260 324 T C 0.263 174.656 174.700 -0.512 0.000 1.039 324 T CA 1.029 62.949 62.100 -0.300 0.000 1.141 324 T CB -0.071 68.615 68.868 -0.302 0.000 0.869 324 T HN -0.005 nan 8.240 nan 0.000 0.437 325 F N 1.113 121.184 119.950 0.202 0.000 2.564 325 F HA 0.393 4.920 4.527 0.000 0.000 0.361 325 F C -2.236 173.605 175.800 0.067 0.000 1.161 325 F CA -2.590 55.500 58.000 0.150 0.000 1.198 325 F CB 1.566 40.729 39.000 0.273 0.000 1.424 325 F HN -0.038 nan 8.300 nan 0.000 0.517 326 P HA -0.090 nan 4.420 nan 0.000 0.223 326 P C -0.140 177.178 177.300 0.030 0.000 1.151 326 P CA 1.230 64.373 63.100 0.072 0.000 0.787 326 P CB 0.357 32.074 31.700 0.029 0.000 0.788 327 D N -1.896 118.496 120.400 -0.012 0.000 2.330 327 D HA 0.178 4.818 4.640 0.000 0.000 0.249 327 D C -2.135 174.032 176.300 -0.221 0.000 1.306 327 D CA -2.100 51.845 54.000 -0.091 0.000 0.956 327 D CB 0.842 41.600 40.800 -0.069 0.000 1.261 327 D HN -0.190 nan 8.370 nan 0.000 0.544 328 P HA -0.081 nan 4.420 nan 0.000 0.213 328 P C 1.204 178.135 177.300 -0.614 0.000 1.170 328 P CA 0.779 63.349 63.100 -0.883 0.000 0.889 328 P CB 0.332 31.161 31.700 -1.452 0.000 0.782 329 E N 0.108 120.065 120.200 -0.405 0.000 2.049 329 E HA -0.184 4.166 4.350 0.000 0.000 0.198 329 E C 2.202 178.673 176.600 -0.214 0.000 1.007 329 E CA 2.103 58.344 56.400 -0.265 0.000 0.809 329 E CB -1.353 28.243 29.700 -0.174 0.000 0.749 329 E HN 0.128 nan 8.360 nan 0.000 0.450 330 G N 0.843 109.536 108.800 -0.179 0.000 2.446 330 G HA2 -0.348 3.612 3.960 0.000 0.000 0.217 330 G HA3 -0.348 3.612 3.960 0.000 0.000 0.217 330 G C 1.648 176.466 174.900 -0.137 0.000 1.168 330 G CA 1.144 46.164 45.100 -0.134 0.000 0.771 330 G HN 0.393 nan 8.290 nan 0.000 0.551 331 M N 0.678 120.175 119.600 -0.171 0.000 2.117 331 M HA -0.083 4.397 4.480 0.000 0.000 0.262 331 M C 2.533 178.747 176.300 -0.144 0.000 1.065 331 M CA 1.978 57.197 55.300 -0.135 0.000 1.114 331 M CB -0.259 32.262 32.600 -0.132 0.000 1.361 331 M HN 0.323 nan 8.290 nan 0.000 0.408 332 I N -0.825 119.610 120.570 -0.225 0.000 2.226 332 I HA -0.210 3.960 4.170 0.000 0.000 0.245 332 I C 2.425 178.461 176.117 -0.134 0.000 1.100 332 I CA 1.718 62.910 61.300 -0.180 0.000 1.374 332 I CB -1.190 36.671 38.000 -0.231 0.000 1.057 332 I HN 0.284 nan 8.210 nan 0.000 0.413 333 R N 0.867 121.285 120.500 -0.136 0.000 2.096 333 R HA -0.175 4.165 4.340 0.000 0.000 0.240 333 R C 2.611 178.852 176.300 -0.098 0.000 1.139 333 R CA 1.841 57.873 56.100 -0.113 0.000 0.952 333 R CB -0.262 29.975 30.300 -0.105 0.000 0.854 333 R HN 0.358 nan 8.270 nan 0.000 0.436 334 R N -0.031 120.414 120.500 -0.091 0.000 2.105 334 R HA -0.095 4.245 4.340 0.000 0.000 0.239 334 R C 2.285 178.536 176.300 -0.082 0.000 1.135 334 R CA 1.462 57.515 56.100 -0.079 0.000 0.967 334 R CB -0.146 30.112 30.300 -0.070 0.000 0.861 334 R HN 0.290 nan 8.270 nan 0.000 0.442 335 L N 0.085 121.258 121.223 -0.083 0.000 2.162 335 L HA -0.079 4.261 4.340 0.000 0.000 0.205 335 L C 2.151 178.963 176.870 -0.098 0.000 1.086 335 L CA 0.956 55.743 54.840 -0.087 0.000 0.778 335 L CB -0.221 41.801 42.059 -0.061 0.000 0.928 335 L HN 0.031 nan 8.230 nan 0.000 0.446 336 K N 0.423 120.760 120.400 -0.106 0.000 2.217 336 K HA -0.023 4.297 4.320 0.000 0.000 0.202 336 K C 2.171 178.701 176.600 -0.117 0.000 1.051 336 K CA 1.147 57.357 56.287 -0.129 0.000 0.952 336 K CB -0.112 32.300 32.500 -0.146 0.000 0.736 336 K HN 0.236 nan 8.250 nan 0.000 0.453 337 A N 2.420 125.180 122.820 -0.099 0.000 1.933 337 A HA -0.174 4.146 4.320 0.000 0.000 0.218 337 A C 1.531 179.066 177.584 -0.081 0.000 1.175 337 A CA 1.290 53.275 52.037 -0.087 0.000 0.628 337 A CB -0.330 18.625 19.000 -0.076 0.000 0.814 337 A HN 0.317 nan 8.150 nan 0.000 0.444 338 K N -0.458 119.893 120.400 -0.082 0.000 2.630 338 K HA 0.295 4.615 4.320 0.000 0.000 0.204 338 K C 1.009 177.559 176.600 -0.083 0.000 1.024 338 K CA 0.416 56.658 56.287 -0.076 0.000 1.157 338 K CB -0.563 31.892 32.500 -0.074 0.000 0.899 338 K HN 0.644 nan 8.250 nan 0.000 0.501 339 G N 1.238 109.983 108.800 -0.093 0.000 2.205 339 G HA2 -0.306 3.654 3.960 0.000 0.000 0.261 339 G HA3 -0.306 3.654 3.960 0.000 0.000 0.261 339 G C 0.191 175.012 174.900 -0.132 0.000 0.980 339 G CA -0.160 44.880 45.100 -0.100 0.000 0.632 339 G HN 0.304 nan 8.290 nan 0.000 0.533 340 L N 1.262 122.403 121.223 -0.137 0.000 2.490 340 L HA 0.246 4.586 4.340 0.000 0.000 0.274 340 L C 0.890 177.605 176.870 -0.258 0.000 1.201 340 L CA -0.136 54.607 54.840 -0.162 0.000 0.869 340 L CB 0.448 42.441 42.059 -0.111 0.000 1.123 340 L HN 0.041 nan 8.230 nan 0.000 0.484 341 K N 3.232 123.409 120.400 -0.372 0.000 2.154 341 K HA 0.454 4.774 4.320 0.000 0.000 0.264 341 K C -0.667 175.732 176.600 -0.334 0.000 1.008 341 K CA -0.680 55.286 56.287 -0.535 0.000 0.937 341 K CB 1.584 33.445 32.500 -1.065 0.000 1.002 341 K HN 0.216 nan 8.250 nan 0.000 0.469 342 I N 1.077 121.476 120.570 -0.284 0.000 2.433 342 I HA 0.144 4.314 4.170 0.000 0.000 0.292 342 I C -0.196 175.834 176.117 -0.145 0.000 1.001 342 I CA -0.938 60.297 61.300 -0.107 0.000 1.119 342 I CB 1.386 39.378 38.000 -0.013 0.000 1.289 342 I HN 0.562 nan 8.210 nan 0.000 0.438 343 C N 7.424 126.698 119.300 -0.043 0.000 2.435 343 C HA 0.901 5.361 4.460 0.000 0.000 0.333 343 C C -0.243 174.792 174.990 0.074 0.000 1.202 343 C CA -0.361 58.674 59.018 0.027 0.000 1.830 343 C CB 0.711 28.592 27.740 0.235 0.000 2.326 343 C HN 0.667 nan 8.230 nan 0.000 0.507 344 V N 3.004 122.917 119.914 -0.001 0.000 2.823 344 V HA 0.631 4.751 4.120 0.000 0.000 0.312 344 V C -0.650 175.650 176.094 0.343 0.000 1.072 344 V CA -0.930 61.314 62.300 -0.093 0.000 0.937 344 V CB 1.327 32.764 31.823 -0.643 0.000 1.013 344 V HN 1.091 nan 8.190 nan 0.000 0.430 345 W N 5.979 127.440 121.300 0.268 0.000 2.264 345 W HA 0.590 5.250 4.660 -0.000 0.000 0.331 345 W C -0.111 176.743 176.519 0.558 0.000 1.364 345 W CA 0.135 57.774 57.345 0.491 0.000 1.253 345 W CB 0.538 30.231 29.460 0.388 0.000 1.215 345 W HN 0.852 nan 8.180 nan 0.000 0.561 346 I N 4.694 125.172 120.570 -0.153 0.000 3.074 346 I HA 0.659 4.829 4.170 0.000 0.000 0.310 346 I C -0.873 174.688 176.117 -0.927 0.000 1.153 346 I CA -1.192 59.901 61.300 -0.344 0.000 0.993 346 I CB 2.249 40.311 38.000 0.104 0.000 1.237 346 I HN 0.602 nan 8.210 nan 0.000 0.443 347 N N 2.159 120.495 118.700 -0.606 0.000 2.972 347 N HA 0.589 5.329 4.740 0.000 0.000 0.262 347 N C -2.917 172.524 175.510 -0.115 0.000 1.478 347 N CA -1.856 50.985 53.050 -0.348 0.000 0.841 347 N CB 1.299 39.482 38.487 -0.505 0.000 1.512 347 N HN 0.384 nan 8.380 nan 0.000 0.548 348 P HA 0.311 nan 4.420 nan 0.000 0.259 348 P C -1.125 176.307 177.300 0.220 0.000 1.530 348 P CA 0.234 63.203 63.100 -0.217 0.000 1.022 348 P CB -0.327 30.994 31.700 -0.631 0.000 1.514 349 Y N -0.145 120.361 120.300 0.344 0.000 2.630 349 Y HA 0.651 5.201 4.550 0.000 0.000 0.337 349 Y C 0.259 176.377 175.900 0.363 0.000 1.051 349 Y CA -2.449 55.826 58.100 0.292 0.000 1.121 349 Y CB 1.328 39.955 38.460 0.279 0.000 1.299 349 Y HN -0.263 nan 8.280 nan 0.000 0.498 350 I N 0.442 121.244 120.570 0.387 0.000 2.644 350 I HA 0.689 4.859 4.170 0.000 0.000 0.291 350 I C -0.295 176.038 176.117 0.360 0.000 1.180 350 I CA -0.576 60.928 61.300 0.341 0.000 1.040 350 I CB 1.789 39.887 38.000 0.163 0.000 1.255 350 I HN 0.763 nan 8.210 nan 0.000 0.422 351 G N 4.229 113.199 108.800 0.283 0.000 2.444 351 G HA2 0.144 4.104 3.960 0.000 0.000 0.268 351 G HA3 0.144 4.104 3.960 0.000 0.000 0.268 351 G C 0.269 175.176 174.900 0.011 0.000 1.203 351 G CA -0.250 44.927 45.100 0.128 0.000 0.835 351 G HN 0.850 nan 8.290 nan 0.000 0.543 352 Q N 0.973 120.545 119.800 -0.380 0.000 2.181 352 Q HA -0.178 4.162 4.340 0.000 0.000 0.205 352 Q C 2.247 177.972 176.000 -0.458 0.000 0.980 352 Q CA 1.718 56.919 55.803 -1.004 0.000 0.862 352 Q CB -0.056 28.109 28.738 -0.956 0.000 0.905 352 Q HN 0.699 nan 8.270 nan 0.000 0.429 353 K N 0.251 120.510 120.400 -0.235 0.000 2.209 353 K HA -0.076 4.244 4.320 0.000 0.000 0.204 353 K C 0.516 177.104 176.600 -0.020 0.000 1.048 353 K CA 0.703 56.917 56.287 -0.121 0.000 0.940 353 K CB -0.078 32.375 32.500 -0.078 0.000 0.729 353 K HN 0.049 nan 8.250 nan 0.000 0.451 354 S N 1.069 116.793 115.700 0.041 0.000 2.533 354 S HA 0.100 4.570 4.470 0.000 0.000 0.282 354 S C -1.877 172.817 174.600 0.158 0.000 1.304 354 S CA -1.484 56.789 58.200 0.123 0.000 1.063 354 S CB 0.997 64.311 63.200 0.190 0.000 0.881 354 S HN 0.052 nan 8.310 nan 0.000 0.493 355 P HA -0.108 nan 4.420 nan 0.000 0.218 355 P C 1.300 178.712 177.300 0.187 0.000 1.146 355 P CA 0.685 63.872 63.100 0.145 0.000 0.820 355 P CB 0.066 31.848 31.700 0.136 0.000 0.778 356 V N -1.796 118.260 119.914 0.236 0.000 2.809 356 V HA -0.168 3.952 4.120 0.000 0.000 0.256 356 V C 1.977 178.183 176.094 0.186 0.000 1.080 356 V CA 1.033 63.498 62.300 0.274 0.000 1.102 356 V CB -1.174 30.897 31.823 0.414 0.000 0.705 356 V HN 0.025 nan 8.190 nan 0.000 0.475 357 F N 1.414 121.389 119.950 0.042 0.000 2.102 357 F HA -0.205 4.322 4.527 0.000 0.000 0.298 357 F C 2.406 178.174 175.800 -0.054 0.000 1.105 357 F CA 2.322 60.305 58.000 -0.028 0.000 1.239 357 F CB -0.133 38.855 39.000 -0.022 0.000 0.991 357 F HN -0.003 nan 8.300 nan 0.000 0.474 358 K N 0.315 120.867 120.400 0.253 0.000 2.097 358 K HA -0.239 4.081 4.320 0.000 0.000 0.206 358 K C 2.253 178.844 176.600 -0.015 0.000 1.049 358 K CA 1.624 57.988 56.287 0.128 0.000 0.933 358 K CB -0.345 32.232 32.500 0.128 0.000 0.717 358 K HN 0.425 nan 8.250 nan 0.000 0.442 359 E N 0.608 120.807 120.200 -0.001 0.000 2.058 359 E HA -0.229 4.121 4.350 0.000 0.000 0.194 359 E C 1.978 178.440 176.600 -0.231 0.000 0.997 359 E CA 1.432 57.802 56.400 -0.050 0.000 0.801 359 E CB -0.070 29.672 29.700 0.071 0.000 0.746 359 E HN 0.315 nan 8.360 nan 0.000 0.450 360 L N 0.540 121.571 121.223 -0.319 0.000 2.093 360 L HA -0.188 4.152 4.340 0.000 0.000 0.208 360 L C 2.916 179.512 176.870 -0.457 0.000 1.085 360 L CA 1.336 55.876 54.840 -0.500 0.000 0.755 360 L CB -0.450 41.278 42.059 -0.553 0.000 0.904 360 L HN 0.275 nan 8.230 nan 0.000 0.435 361 Q N 0.488 120.040 119.800 -0.413 0.000 2.079 361 Q HA -0.248 4.092 4.340 0.000 0.000 0.200 361 Q C 2.033 177.907 176.000 -0.209 0.000 0.974 361 Q CA 1.687 57.304 55.803 -0.310 0.000 0.840 361 Q CB 0.064 28.655 28.738 -0.244 0.000 0.898 361 Q HN 0.501 nan 8.270 nan 0.000 0.430 362 E N 0.294 120.383 120.200 -0.186 0.000 2.077 362 E HA -0.171 4.179 4.350 0.000 0.000 0.193 362 E C 1.790 178.273 176.600 -0.195 0.000 0.989 362 E CA 1.247 57.560 56.400 -0.144 0.000 0.800 362 E CB 0.135 29.773 29.700 -0.102 0.000 0.746 362 E HN 0.229 nan 8.360 nan 0.000 0.452 363 K N -0.867 119.321 120.400 -0.354 0.000 2.432 363 K HA 0.020 4.340 4.320 0.000 0.000 0.196 363 K C 0.822 177.180 176.600 -0.404 0.000 1.038 363 K CA 0.499 56.467 56.287 -0.531 0.000 0.986 363 K CB 0.423 32.250 32.500 -1.121 0.000 0.782 363 K HN 0.265 nan 8.250 nan 0.000 0.485 364 G N 1.036 109.692 108.800 -0.240 0.000 2.176 364 G HA2 -0.243 3.717 3.960 0.000 0.000 0.252 364 G HA3 -0.243 3.717 3.960 0.000 0.000 0.252 364 G C 0.193 175.172 174.900 0.131 0.000 1.024 364 G CA 0.032 45.116 45.100 -0.026 0.000 0.755 364 G HN 0.253 nan 8.290 nan 0.000 0.507 365 Y N -0.616 119.591 120.300 -0.155 0.000 2.511 365 Y HA 0.403 4.953 4.550 0.000 0.000 0.279 365 Y C 1.836 177.629 175.900 -0.177 0.000 1.157 365 Y CA -0.442 57.560 58.100 -0.162 0.000 1.300 365 Y CB 0.116 38.435 38.460 -0.234 0.000 1.052 365 Y HN 0.320 nan 8.280 nan 0.000 0.529 366 L N 0.509 121.680 121.223 -0.085 0.000 2.334 366 L HA 0.288 4.628 4.340 0.000 0.000 0.275 366 L C -0.293 176.496 176.870 -0.134 0.000 1.036 366 L CA -1.278 53.446 54.840 -0.193 0.000 0.807 366 L CB 1.483 43.335 42.059 -0.345 0.000 1.231 366 L HN -0.141 nan 8.230 nan 0.000 0.438 367 L N 3.579 124.695 121.223 -0.177 0.000 2.513 367 L HA 0.083 4.423 4.340 0.000 0.000 0.272 367 L C -0.140 176.628 176.870 -0.170 0.000 1.187 367 L CA 0.700 55.378 54.840 -0.269 0.000 0.895 367 L CB -0.134 41.618 42.059 -0.511 0.000 1.147 367 L HN 0.466 nan 8.230 nan 0.000 0.483 368 K N 5.404 125.705 120.400 -0.166 0.000 2.166 368 K HA 0.541 4.861 4.320 0.000 0.000 0.245 368 K C -0.329 176.223 176.600 -0.079 0.000 0.967 368 K CA -0.941 55.299 56.287 -0.078 0.000 0.863 368 K CB 1.505 33.978 32.500 -0.046 0.000 1.107 368 K HN 0.569 nan 8.250 nan 0.000 0.436 369 R N 0.832 121.328 120.500 -0.008 0.000 2.583 369 R HA 0.107 4.447 4.340 0.000 0.000 0.268 369 R C -1.726 174.564 176.300 -0.016 0.000 1.101 369 R CA -1.762 54.342 56.100 0.006 0.000 1.180 369 R CB -0.132 30.193 30.300 0.041 0.000 1.128 369 R HN 0.323 nan 8.270 nan 0.000 0.568 370 P HA -0.210 nan 4.420 nan 0.000 0.216 370 P C 0.478 177.776 177.300 -0.003 0.000 1.150 370 P CA 1.477 64.574 63.100 -0.005 0.000 0.843 370 P CB 0.011 31.715 31.700 0.007 0.000 0.787 371 D N -1.776 118.624 120.400 0.000 0.000 2.378 371 D HA 0.002 4.642 4.640 0.000 0.000 0.227 371 D C 1.481 177.778 176.300 -0.004 0.000 1.012 371 D CA 1.068 55.068 54.000 -0.001 0.000 0.905 371 D CB -0.863 39.937 40.800 -0.000 0.000 0.895 371 D HN 0.290 nan 8.370 nan 0.000 0.532 372 G N -0.123 108.673 108.800 -0.007 0.000 2.232 372 G HA2 -0.270 3.690 3.960 0.000 0.000 0.226 372 G HA3 -0.270 3.690 3.960 0.000 0.000 0.226 372 G C 0.431 175.324 174.900 -0.010 0.000 0.996 372 G CA 0.319 45.415 45.100 -0.007 0.000 0.626 372 G HN 0.811 nan 8.290 nan 0.000 0.509 373 S N 0.919 116.613 115.700 -0.011 0.000 2.584 373 S HA 0.639 5.109 4.470 0.000 0.000 0.270 373 S C 0.725 175.316 174.600 -0.015 0.000 1.346 373 S CA -0.631 57.561 58.200 -0.014 0.000 1.018 373 S CB 1.172 64.361 63.200 -0.019 0.000 0.899 373 S HN 0.717 nan 8.310 nan 0.000 0.542 374 L N 1.119 122.333 121.223 -0.016 0.000 2.525 374 L HA 0.080 4.420 4.340 0.000 0.000 0.278 374 L C 0.315 177.187 176.870 0.004 0.000 1.218 374 L CA -0.288 54.546 54.840 -0.010 0.000 0.878 374 L CB 0.072 42.136 42.059 0.007 0.000 1.127 374 L HN 0.821 nan 8.230 nan 0.000 0.492 375 W N 4.910 126.118 121.300 -0.153 0.000 2.368 375 W HA 0.215 4.875 4.660 0.000 0.000 0.316 375 W C -0.304 176.124 176.519 -0.153 0.000 1.375 375 W CA -0.009 57.227 57.345 -0.182 0.000 1.261 375 W CB 0.355 29.647 29.460 -0.280 0.000 1.298 375 W HN 0.447 nan 8.180 nan 0.000 0.539 376 Q N 5.968 125.238 119.800 -0.883 0.000 2.379 376 Q HA 0.358 4.698 4.340 0.000 0.000 0.278 376 Q C -0.964 174.481 176.000 -0.925 0.000 1.068 376 Q CA -0.919 54.459 55.803 -0.709 0.000 0.816 376 Q CB 2.290 30.886 28.738 -0.237 0.000 1.387 376 Q HN 0.549 nan 8.270 nan 0.000 0.413 377 W N 0.512 121.387 121.300 -0.708 0.000 3.098 377 W HA 0.539 5.199 4.660 0.000 0.000 0.367 377 W C -0.769 175.650 176.519 -0.167 0.000 1.163 377 W CA -1.046 56.060 57.345 -0.399 0.000 1.113 377 W CB -0.076 29.197 29.460 -0.312 0.000 1.501 377 W HN 0.459 nan 8.180 nan 0.000 0.598 378 D N 0.367 120.804 120.400 0.063 0.000 2.368 378 D HA 0.104 4.744 4.640 0.000 0.000 0.218 378 D C -0.285 175.930 176.300 -0.142 0.000 1.112 378 D CA 0.163 54.135 54.000 -0.047 0.000 0.834 378 D CB 0.438 41.191 40.800 -0.079 0.000 0.953 378 D HN 0.160 nan 8.370 nan 0.000 0.505 379 K N 0.280 120.400 120.400 -0.466 0.000 2.218 379 K HA 0.061 4.381 4.320 0.000 0.000 0.276 379 K C 0.613 177.326 176.600 0.187 0.000 1.022 379 K CA -0.458 55.614 56.287 -0.358 0.000 0.946 379 K CB 1.748 33.685 32.500 -0.938 0.000 1.000 379 K HN 0.094 nan 8.250 nan 0.000 0.468 380 W N 0.501 121.856 121.300 0.092 0.000 0.649 380 W HA -0.353 4.307 4.660 0.000 0.000 0.221 380 W C -0.868 175.766 176.519 0.190 0.000 1.002 380 W CA 1.486 58.971 57.345 0.233 0.000 0.879 380 W CB -0.519 29.112 29.460 0.285 0.000 1.806 380 W HN 0.551 nan 8.180 nan 0.000 0.496 381 Q N 0.931 120.774 119.800 0.073 0.000 2.394 381 Q HA 0.436 4.776 4.340 0.000 0.000 0.273 381 Q C -2.287 173.720 176.000 0.012 0.000 1.089 381 Q CA -1.871 53.898 55.803 -0.057 0.000 0.812 381 Q CB 1.293 30.025 28.738 -0.010 0.000 1.353 381 Q HN -0.083 nan 8.270 nan 0.000 0.438 382 P HA 0.025 nan 4.420 nan 0.000 0.267 382 P C 0.561 177.779 177.300 -0.137 0.000 1.205 382 P CA 0.673 63.679 63.100 -0.155 0.000 0.765 382 P CB 0.238 31.744 31.700 -0.323 0.000 0.828 383 G N 2.686 111.415 108.800 -0.119 0.000 2.321 383 G HA2 -0.300 3.660 3.960 0.000 0.000 0.287 383 G HA3 -0.300 3.660 3.960 0.000 0.000 0.287 383 G C 0.077 174.972 174.900 -0.009 0.000 1.018 383 G CA -0.028 44.990 45.100 -0.136 0.000 0.855 383 G HN 0.637 nan 8.290 nan 0.000 0.507 384 L N -0.057 121.242 121.223 0.126 0.000 2.578 384 L HA 0.450 4.790 4.340 0.000 0.000 0.279 384 L C 0.708 177.742 176.870 0.273 0.000 1.227 384 L CA 0.706 55.708 54.840 0.268 0.000 0.900 384 L CB 0.394 42.699 42.059 0.409 0.000 1.144 384 L HN 0.616 nan 8.230 nan 0.000 0.496 385 A N 6.324 129.331 122.820 0.313 0.000 2.435 385 A HA 0.808 5.128 4.320 0.000 0.000 0.296 385 A C -0.876 176.761 177.584 0.089 0.000 1.147 385 A CA -0.759 51.395 52.037 0.195 0.000 0.775 385 A CB 1.194 20.243 19.000 0.082 0.000 1.340 385 A HN 0.669 nan 8.150 nan 0.000 0.427 386 I N 0.397 120.954 120.570 -0.021 0.000 2.474 386 I HA 0.263 4.433 4.170 0.000 0.000 0.294 386 I C -1.200 174.823 176.117 -0.157 0.000 1.005 386 I CA -0.505 60.772 61.300 -0.038 0.000 1.113 386 I CB 1.589 39.469 38.000 -0.200 0.000 1.289 386 I HN 0.638 nan 8.210 nan 0.000 0.436 387 Y N 3.354 123.556 120.300 -0.163 0.000 2.569 387 Y HA -0.028 4.522 4.550 0.000 0.000 0.332 387 Y C 0.767 176.413 175.900 -0.423 0.000 1.120 387 Y CA 0.116 57.988 58.100 -0.379 0.000 1.416 387 Y CB 0.113 38.165 38.460 -0.679 0.000 1.210 387 Y HN 0.428 nan 8.280 nan 0.000 0.528 388 D N 4.560 124.934 120.400 -0.043 0.000 2.402 388 D HA 0.023 4.663 4.640 0.000 0.000 0.235 388 D C -0.057 176.366 176.300 0.204 0.000 1.226 388 D CA 0.071 54.186 54.000 0.192 0.000 0.918 388 D CB -0.207 40.698 40.800 0.175 0.000 1.043 388 D HN 0.538 nan 8.370 nan 0.000 0.506 389 F N 1.435 121.565 119.950 0.299 0.000 2.769 389 F HA -0.029 4.498 4.527 0.000 0.000 0.304 389 F C 2.279 178.102 175.800 0.039 0.000 1.158 389 F CA 0.071 58.089 58.000 0.031 0.000 1.398 389 F CB 0.247 39.129 39.000 -0.197 0.000 1.094 389 F HN 0.336 nan 8.300 nan 0.000 0.553 390 T N -3.810 110.940 114.554 0.326 0.000 3.065 390 T HA -0.018 4.332 4.350 0.000 0.000 0.252 390 T C 0.741 175.572 174.700 0.219 0.000 1.099 390 T CA -0.164 62.101 62.100 0.276 0.000 1.063 390 T CB -0.214 68.876 68.868 0.371 0.000 0.948 390 T HN 0.016 nan 8.240 nan 0.000 0.506 391 N N 2.666 121.380 118.700 0.023 0.000 2.437 391 N HA 0.256 4.996 4.740 0.000 0.000 0.243 391 N C -2.129 173.162 175.510 -0.366 0.000 1.041 391 N CA -2.321 50.396 53.050 -0.555 0.000 0.940 391 N CB 1.758 39.891 38.487 -0.590 0.000 1.133 391 N HN -0.017 nan 8.380 nan 0.000 0.506 392 P HA -0.103 nan 4.420 nan 0.000 0.217 392 P C 0.335 177.528 177.300 -0.180 0.000 1.148 392 P CA 1.169 64.184 63.100 -0.142 0.000 0.828 392 P CB 0.441 32.106 31.700 -0.059 0.000 0.783 393 D N -1.246 118.979 120.400 -0.292 0.000 2.234 393 D HA -0.010 4.630 4.640 0.000 0.000 0.205 393 D C 1.978 177.900 176.300 -0.630 0.000 0.962 393 D CA 1.074 54.896 54.000 -0.296 0.000 0.855 393 D CB -0.584 40.142 40.800 -0.124 0.000 0.951 393 D HN 0.066 nan 8.370 nan 0.000 0.500 394 A N 0.399 122.758 122.820 -0.768 0.000 1.873 394 A HA -0.160 4.160 4.320 0.000 0.000 0.215 394 A C 2.486 180.029 177.584 -0.068 0.000 1.186 394 A CA 1.119 52.754 52.037 -0.669 0.000 0.616 394 A CB -0.926 17.898 19.000 -0.293 0.000 0.823 394 A HN 0.326 nan 8.150 nan 0.000 0.442 395 C N -0.534 118.766 119.300 0.000 0.000 2.413 395 C HA -0.109 4.351 4.460 0.000 0.000 0.276 395 C C 2.705 177.734 174.990 0.065 0.000 1.236 395 C CA 1.417 60.479 59.018 0.074 0.000 1.735 395 C CB -1.053 26.674 27.740 -0.022 0.000 2.031 395 C HN 0.729 nan 8.230 nan 0.000 0.474 396 K N -0.728 119.679 120.400 0.011 0.000 2.063 396 K HA -0.256 4.064 4.320 0.000 0.000 0.208 396 K C 2.028 178.687 176.600 0.099 0.000 1.048 396 K CA 2.014 58.318 56.287 0.028 0.000 0.928 396 K CB -0.368 32.140 32.500 0.013 0.000 0.713 396 K HN 0.716 nan 8.250 nan 0.000 0.442 397 W N 0.335 121.609 121.300 -0.044 0.000 2.335 397 W HA -0.290 4.370 4.660 0.000 0.000 0.311 397 W C 2.016 178.570 176.519 0.059 0.000 1.213 397 W CA 1.895 59.275 57.345 0.058 0.000 1.274 397 W CB -0.435 29.124 29.460 0.165 0.000 1.148 397 W HN 0.190 nan 8.180 nan 0.000 0.498 398 Y N 0.701 121.239 120.300 0.397 0.000 2.163 398 Y HA -0.189 4.361 4.550 0.000 0.000 0.288 398 Y C 2.429 178.201 175.900 -0.213 0.000 1.136 398 Y CA 2.674 60.857 58.100 0.138 0.000 1.147 398 Y CB -0.926 37.655 38.460 0.201 0.000 0.987 398 Y HN 0.000 nan 8.280 nan 0.000 0.509 399 A N 0.085 122.938 122.820 0.055 0.000 1.908 399 A HA -0.240 4.080 4.320 0.000 0.000 0.218 399 A C 1.920 179.365 177.584 -0.232 0.000 1.181 399 A CA 2.144 54.114 52.037 -0.110 0.000 0.627 399 A CB -0.858 18.097 19.000 -0.075 0.000 0.818 399 A HN 0.536 nan 8.150 nan 0.000 0.445 400 D N -0.256 120.004 120.400 -0.233 0.000 2.144 400 D HA -0.114 4.527 4.640 0.000 0.000 0.199 400 D C 1.847 177.885 176.300 -0.436 0.000 0.984 400 D CA 1.017 54.844 54.000 -0.289 0.000 0.834 400 D CB -0.151 40.500 40.800 -0.249 0.000 0.955 400 D HN 0.215 nan 8.370 nan 0.000 0.465 401 K N 0.589 120.570 120.400 -0.698 0.000 2.057 401 K HA -0.055 4.265 4.320 0.000 0.000 0.207 401 K C 2.373 178.531 176.600 -0.737 0.000 1.049 401 K CA 0.351 56.093 56.287 -0.908 0.000 0.931 401 K CB -0.636 30.858 32.500 -1.677 0.000 0.714 401 K HN 0.276 nan 8.250 nan 0.000 0.440 402 L N 0.728 121.521 121.223 -0.716 0.000 2.027 402 L HA -0.180 4.160 4.340 0.000 0.000 0.206 402 L C 2.415 179.200 176.870 -0.141 0.000 1.074 402 L CA 1.363 55.915 54.840 -0.481 0.000 0.745 402 L CB -0.381 41.321 42.059 -0.594 0.000 0.898 402 L HN 0.151 nan 8.230 nan 0.000 0.433 403 K N 0.145 120.446 120.400 -0.165 0.000 2.063 403 K HA -0.145 4.175 4.320 0.000 0.000 0.208 403 K C 2.156 178.710 176.600 -0.077 0.000 1.048 403 K CA 1.330 57.563 56.287 -0.089 0.000 0.928 403 K CB -0.628 31.809 32.500 -0.106 0.000 0.713 403 K HN 0.401 nan 8.250 nan 0.000 0.442 404 G N 1.580 110.304 108.800 -0.127 0.000 2.574 404 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 404 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 404 G C 1.456 176.345 174.900 -0.018 0.000 1.173 404 G CA 1.100 46.148 45.100 -0.086 0.000 0.772 404 G HN 0.140 nan 8.290 nan 0.000 0.585 405 L N -0.075 121.160 121.223 0.020 0.000 2.109 405 L HA -0.024 4.316 4.340 0.000 0.000 0.207 405 L C 3.026 179.920 176.870 0.041 0.000 1.086 405 L CA 0.212 55.107 54.840 0.092 0.000 0.760 405 L CB -0.382 41.801 42.059 0.207 0.000 0.910 405 L HN 0.107 nan 8.230 nan 0.000 0.437 406 V N 0.282 120.235 119.914 0.065 0.000 2.287 406 V HA -0.321 3.799 4.120 0.000 0.000 0.248 406 V C 2.754 178.819 176.094 -0.049 0.000 1.053 406 V CA 1.910 64.205 62.300 -0.010 0.000 1.027 406 V CB -0.935 30.898 31.823 0.017 0.000 0.646 406 V HN 0.496 nan 8.190 nan 0.000 0.447 407 A N -0.469 122.328 122.820 -0.039 0.000 2.024 407 A HA -0.216 4.104 4.320 0.000 0.000 0.220 407 A C 2.189 179.736 177.584 -0.062 0.000 1.164 407 A CA 2.124 54.131 52.037 -0.051 0.000 0.643 407 A CB -0.531 18.442 19.000 -0.046 0.000 0.806 407 A HN 0.597 nan 8.150 nan 0.000 0.451 408 M N -1.483 118.081 119.600 -0.061 0.000 2.494 408 M HA 0.294 4.774 4.480 0.000 0.000 0.232 408 M C 1.012 177.242 176.300 -0.116 0.000 1.137 408 M CA 1.136 56.385 55.300 -0.084 0.000 1.012 408 M CB 0.198 32.758 32.600 -0.066 0.000 1.567 408 M HN 0.575 nan 8.290 nan 0.000 0.486 409 G N 0.668 109.398 108.800 -0.116 0.000 2.192 409 G HA2 -0.165 3.795 3.960 0.000 0.000 0.193 409 G HA3 -0.165 3.795 3.960 0.000 0.000 0.193 409 G C -0.183 174.614 174.900 -0.172 0.000 0.999 409 G CA -0.028 44.986 45.100 -0.144 0.000 0.659 409 G HN 0.321 nan 8.290 nan 0.000 0.503 410 V N 2.001 121.811 119.914 -0.174 0.000 2.521 410 V HA 0.250 4.370 4.120 0.000 0.000 0.286 410 V C 1.062 176.972 176.094 -0.307 0.000 1.034 410 V CA 0.598 62.746 62.300 -0.253 0.000 1.045 410 V CB 1.437 33.086 31.823 -0.290 0.000 0.974 410 V HN 0.289 nan 8.190 nan 0.000 0.480 411 D N 2.408 122.613 120.400 -0.326 0.000 2.327 411 D HA 0.118 4.758 4.640 0.000 0.000 0.205 411 D C 0.463 176.625 176.300 -0.230 0.000 0.989 411 D CA 0.938 54.778 54.000 -0.267 0.000 0.873 411 D CB 0.668 41.262 40.800 -0.343 0.000 0.955 411 D HN 0.780 nan 8.370 nan 0.000 0.515 412 C N -1.621 117.413 119.300 -0.443 0.000 3.253 412 C HA 0.679 5.139 4.460 0.000 0.000 0.342 412 C C -1.671 172.975 174.990 -0.572 0.000 1.306 412 C CA -1.438 57.383 59.018 -0.327 0.000 1.207 412 C CB 0.407 28.238 27.740 0.151 0.000 1.479 412 C HN -0.031 nan 8.230 nan 0.000 0.469 413 F N 1.041 121.085 119.950 0.156 0.000 2.551 413 F HA 0.645 5.173 4.527 0.000 0.000 0.316 413 F C 0.113 176.003 175.800 0.150 0.000 1.089 413 F CA -0.602 57.480 58.000 0.137 0.000 0.915 413 F CB 1.826 40.876 39.000 0.084 0.000 1.186 413 F HN 0.800 nan 8.300 nan 0.000 0.456 414 K N 1.863 122.465 120.400 0.336 0.000 2.267 414 K HA 0.288 4.608 4.320 0.000 0.000 0.282 414 K C -0.461 176.217 176.600 0.130 0.000 1.078 414 K CA -0.379 56.013 56.287 0.175 0.000 0.903 414 K CB 0.617 33.119 32.500 0.004 0.000 1.111 414 K HN 0.711 nan 8.250 nan 0.000 0.475 415 T N 1.403 116.027 114.554 0.117 0.000 3.162 415 T HA 0.099 4.449 4.350 0.000 0.000 0.316 415 T C -0.037 174.752 174.700 0.148 0.000 1.182 415 T CA -0.912 61.198 62.100 0.017 0.000 1.015 415 T CB 0.253 68.904 68.868 -0.362 0.000 1.089 415 T HN 0.472 nan 8.240 nan 0.000 0.646 416 D N 1.371 121.847 120.400 0.126 0.000 2.383 416 D HA 0.472 5.112 4.640 0.000 0.000 0.248 416 D C 0.641 177.112 176.300 0.284 0.000 1.170 416 D CA -0.740 53.388 54.000 0.212 0.000 0.977 416 D CB 0.181 41.131 40.800 0.249 0.000 1.120 416 D HN 0.410 nan 8.370 nan 0.000 0.481 417 F N -0.416 119.518 119.950 -0.026 0.000 2.181 417 F HA -0.164 4.363 4.527 0.000 0.000 0.317 417 F C 1.811 177.661 175.800 0.084 0.000 0.129 417 F CA 1.422 59.402 58.000 -0.033 0.000 0.911 417 F CB -1.446 37.422 39.000 -0.221 0.000 4.128 417 F HN 0.586 nan 8.300 nan 0.000 0.142 418 G N -1.030 107.952 108.800 0.304 0.000 2.179 418 G HA2 -0.197 3.763 3.960 0.000 0.000 0.220 418 G HA3 -0.197 3.763 3.960 0.000 0.000 0.220 418 G C 0.705 175.781 174.900 0.294 0.000 0.990 418 G CA 0.646 45.947 45.100 0.335 0.000 0.646 418 G HN 1.068 nan 8.290 nan 0.000 0.517 419 E N 0.571 120.931 120.200 0.267 0.000 2.166 419 E HA 0.085 4.436 4.350 0.000 0.000 0.192 419 E C 1.426 178.031 176.600 0.009 0.000 0.967 419 E CA -0.027 56.434 56.400 0.101 0.000 0.840 419 E CB -0.116 29.686 29.700 0.171 0.000 0.795 419 E HN 0.441 nan 8.360 nan 0.000 0.470 420 R N 1.517 122.142 120.500 0.210 0.000 4.138 420 R HA 0.224 4.564 4.340 0.000 0.000 0.206 420 R C -0.432 175.822 176.300 -0.075 0.000 1.667 420 R CA -0.234 55.997 56.100 0.218 0.000 1.481 420 R CB -0.047 30.537 30.300 0.473 0.000 1.388 420 R HN 0.081 nan 8.270 nan 0.000 0.776 421 I N 3.683 124.126 120.570 -0.212 0.000 2.342 421 I HA 0.223 4.393 4.170 0.000 0.000 0.291 421 I C -1.711 174.294 176.117 -0.186 0.000 1.010 421 I CA -3.552 57.535 61.300 -0.355 0.000 1.308 421 I CB 0.722 38.493 38.000 -0.382 0.000 1.400 421 I HN 0.123 nan 8.210 nan 0.000 0.488 422 P HA 0.237 nan 4.420 nan 0.000 0.276 422 P C 0.434 177.630 177.300 -0.174 0.000 1.244 422 P CA -0.166 62.664 63.100 -0.451 0.000 0.801 422 P CB 0.973 31.988 31.700 -1.142 0.000 1.006 423 T N -3.790 110.774 114.554 0.016 0.000 3.014 423 T HA 0.006 4.356 4.350 0.000 0.000 0.250 423 T C 0.603 175.336 174.700 0.055 0.000 1.060 423 T CA 0.011 62.186 62.100 0.124 0.000 1.040 423 T CB -0.552 68.457 68.868 0.236 0.000 0.971 423 T HN 0.404 nan 8.240 nan 0.000 0.497 424 D N 3.071 123.481 120.400 0.018 0.000 3.032 424 D HA 0.256 4.896 4.640 0.000 0.000 0.241 424 D C 0.544 176.843 176.300 -0.002 0.000 1.196 424 D CA -0.371 53.657 54.000 0.046 0.000 0.927 424 D CB -0.097 40.767 40.800 0.107 0.000 1.129 424 D HN 0.517 nan 8.370 nan 0.000 0.458 425 V N -3.428 116.431 119.914 -0.091 0.000 3.105 425 V HA 0.597 4.717 4.120 0.000 0.000 0.311 425 V C -1.151 174.835 176.094 -0.179 0.000 1.287 425 V CA -1.259 60.917 62.300 -0.206 0.000 1.066 425 V CB 1.963 33.483 31.823 -0.504 0.000 1.105 425 V HN 0.119 nan 8.190 nan 0.000 0.462 426 Q N 0.171 119.828 119.800 -0.239 0.000 2.337 426 Q HA 0.411 4.751 4.340 0.000 0.000 0.264 426 Q C -1.773 174.130 176.000 -0.162 0.000 1.007 426 Q CA -0.464 55.270 55.803 -0.115 0.000 0.727 426 Q CB 1.443 30.156 28.738 -0.042 0.000 1.256 426 Q HN 0.790 nan 8.270 nan 0.000 0.467 427 W N 2.784 124.115 121.300 0.052 0.000 2.126 427 W HA 0.104 4.764 4.660 0.000 0.000 0.346 427 W C 1.171 177.769 176.519 0.131 0.000 1.279 427 W CA -0.412 56.992 57.345 0.098 0.000 1.259 427 W CB 0.343 29.868 29.460 0.107 0.000 1.133 427 W HN 0.733 nan 8.180 nan 0.000 0.592 428 F N 2.400 122.530 119.950 0.299 0.000 2.095 428 F HA -0.328 4.199 4.527 0.000 0.000 0.298 428 F C 2.243 178.150 175.800 0.179 0.000 1.104 428 F CA 2.396 60.510 58.000 0.190 0.000 1.232 428 F CB -0.188 38.921 39.000 0.182 0.000 0.987 428 F HN 0.396 nan 8.300 nan 0.000 0.475 429 D N -0.624 120.004 120.400 0.379 0.000 2.349 429 D HA 0.078 4.718 4.640 0.000 0.000 0.224 429 D C 1.679 178.052 176.300 0.120 0.000 1.029 429 D CA 0.845 54.967 54.000 0.204 0.000 0.879 429 D CB -0.659 40.298 40.800 0.262 0.000 0.906 429 D HN 0.495 nan 8.370 nan 0.000 0.528 430 G N -0.016 108.879 108.800 0.158 0.000 2.143 430 G HA2 -0.296 3.664 3.960 0.000 0.000 0.248 430 G HA3 -0.296 3.664 3.960 0.000 0.000 0.248 430 G C 0.350 175.335 174.900 0.142 0.000 0.991 430 G CA 0.344 45.521 45.100 0.128 0.000 0.689 430 G HN 0.454 nan 8.290 nan 0.000 0.522 431 S N 0.027 115.825 115.700 0.163 0.000 2.572 431 S HA 0.325 4.795 4.470 0.000 0.000 0.267 431 S C 0.434 175.111 174.600 0.129 0.000 1.361 431 S CA 0.190 58.432 58.200 0.069 0.000 1.009 431 S CB 0.988 64.145 63.200 -0.072 0.000 0.888 431 S HN 0.505 nan 8.310 nan 0.000 0.553 432 D N 1.281 121.719 120.400 0.063 0.000 2.358 432 D HA 0.175 4.815 4.640 0.000 0.000 0.258 432 D C -1.716 174.683 176.300 0.164 0.000 1.223 432 D CA -2.102 51.964 54.000 0.109 0.000 0.886 432 D CB 0.941 41.782 40.800 0.069 0.000 1.120 432 D HN 0.021 nan 8.370 nan 0.000 0.482 433 P HA -0.154 nan 4.420 nan 0.000 0.219 433 P C 1.143 178.638 177.300 0.325 0.000 1.146 433 P CA 0.986 64.320 63.100 0.391 0.000 0.808 433 P CB 0.283 32.178 31.700 0.326 0.000 0.779 434 Q N -0.312 119.650 119.800 0.270 0.000 2.172 434 Q HA -0.074 4.266 4.340 0.000 0.000 0.200 434 Q C 1.866 178.070 176.000 0.340 0.000 0.964 434 Q CA 1.315 57.326 55.803 0.346 0.000 0.855 434 Q CB -0.349 28.529 28.738 0.234 0.000 0.918 434 Q HN 0.407 nan 8.270 nan 0.000 0.444 435 K N -0.485 120.026 120.400 0.184 0.000 2.186 435 K HA 0.105 4.425 4.320 0.000 0.000 0.202 435 K C 1.986 178.627 176.600 0.067 0.000 1.052 435 K CA 0.295 56.636 56.287 0.089 0.000 0.965 435 K CB 0.127 32.600 32.500 -0.045 0.000 0.746 435 K HN 0.074 nan 8.250 nan 0.000 0.457 436 M N 0.196 119.815 119.600 0.030 0.000 2.296 436 M HA -0.128 4.352 4.480 0.000 0.000 0.265 436 M C 1.947 178.259 176.300 0.020 0.000 1.064 436 M CA 1.550 56.791 55.300 -0.099 0.000 1.109 436 M CB -0.819 31.477 32.600 -0.507 0.000 1.396 436 M HN 0.238 nan 8.290 nan 0.000 0.430 437 H N 1.280 120.341 119.070 -0.014 0.000 2.265 437 H HA -0.171 4.385 4.556 0.000 0.000 0.293 437 H C 1.762 176.987 175.328 -0.172 0.000 1.089 437 H CA 2.593 58.515 56.048 -0.211 0.000 1.244 437 H CB 0.135 29.456 29.762 -0.735 0.000 1.355 437 H HN 0.332 nan 8.280 nan 0.000 0.485 438 N N -0.974 117.684 118.700 -0.069 0.000 2.251 438 N HA -0.121 4.619 4.740 0.000 0.000 0.181 438 N C 1.878 177.486 175.510 0.163 0.000 1.019 438 N CA 1.146 54.217 53.050 0.035 0.000 0.862 438 N CB -0.596 38.018 38.487 0.211 0.000 0.992 438 N HN 0.484 nan 8.380 nan 0.000 0.429 439 H N 0.110 119.228 119.070 0.080 0.000 2.456 439 H HA -0.095 4.461 4.556 0.000 0.000 0.296 439 H C 1.744 177.151 175.328 0.132 0.000 1.079 439 H CA 1.181 57.290 56.048 0.103 0.000 1.322 439 H CB -0.350 29.409 29.762 -0.005 0.000 1.388 439 H HN 0.237 nan 8.280 nan 0.000 0.538 440 Y N 0.338 120.591 120.300 -0.079 0.000 2.139 440 Y HA -0.363 4.187 4.550 0.000 0.000 0.282 440 Y C 2.588 178.522 175.900 0.058 0.000 1.179 440 Y CA 2.140 60.203 58.100 -0.062 0.000 1.161 440 Y CB -0.738 37.691 38.460 -0.053 0.000 0.970 440 Y HN 0.326 nan 8.280 nan 0.000 0.511 441 A N -0.912 122.034 122.820 0.210 0.000 1.933 441 A HA -0.257 4.063 4.320 0.000 0.000 0.218 441 A C 2.114 179.747 177.584 0.081 0.000 1.175 441 A CA 1.707 53.880 52.037 0.226 0.000 0.628 441 A CB -1.503 17.625 19.000 0.214 0.000 0.814 441 A HN 0.736 nan 8.150 nan 0.000 0.444 442 Y N 0.573 120.821 120.300 -0.086 0.000 2.114 442 Y HA -0.219 4.331 4.550 0.000 0.000 0.284 442 Y C 2.057 177.781 175.900 -0.294 0.000 1.143 442 Y CA 1.849 59.870 58.100 -0.131 0.000 1.135 442 Y CB -0.132 38.212 38.460 -0.194 0.000 0.980 442 Y HN 0.237 nan 8.280 nan 0.000 0.499 443 I N 0.208 120.617 120.570 -0.268 0.000 2.208 443 I HA -0.344 3.826 4.170 0.000 0.000 0.245 443 I C 2.364 178.166 176.117 -0.524 0.000 1.097 443 I CA 1.602 62.694 61.300 -0.346 0.000 1.363 443 I CB -1.880 35.949 38.000 -0.285 0.000 1.051 443 I HN 0.471 nan 8.210 nan 0.000 0.413 444 Y N 2.058 121.964 120.300 -0.657 0.000 2.109 444 Y HA -0.230 4.320 4.550 0.000 0.000 0.285 444 Y C 2.558 178.099 175.900 -0.598 0.000 1.131 444 Y CA 1.618 59.279 58.100 -0.731 0.000 1.121 444 Y CB -0.163 38.050 38.460 -0.411 0.000 0.987 444 Y HN 0.160 nan 8.280 nan 0.000 0.495 445 N N 0.694 118.975 118.700 -0.698 0.000 2.166 445 N HA -0.235 4.505 4.740 0.000 0.000 0.186 445 N C 1.799 176.718 175.510 -0.986 0.000 1.019 445 N CA 1.604 54.198 53.050 -0.761 0.000 0.856 445 N CB -0.404 37.803 38.487 -0.467 0.000 0.993 445 N HN 0.595 nan 8.380 nan 0.000 0.426 446 E N 1.351 120.756 120.200 -1.325 0.000 2.085 446 E HA -0.171 4.179 4.350 0.000 0.000 0.194 446 E C 2.171 178.331 176.600 -0.733 0.000 0.994 446 E CA 0.673 56.157 56.400 -1.527 0.000 0.801 446 E CB -0.059 28.926 29.700 -1.192 0.000 0.743 446 E HN 0.284 nan 8.360 nan 0.000 0.453 447 L N 0.269 121.131 121.223 -0.601 0.000 2.056 447 L HA -0.143 4.197 4.340 0.000 0.000 0.207 447 L C 2.297 178.977 176.870 -0.317 0.000 1.078 447 L CA 0.912 55.489 54.840 -0.438 0.000 0.749 447 L CB -0.067 41.632 42.059 -0.600 0.000 0.901 447 L HN 0.050 nan 8.230 nan 0.000 0.433 448 V N -0.644 119.067 119.914 -0.337 0.000 2.307 448 V HA -0.305 3.815 4.120 0.000 0.000 0.245 448 V C 2.163 178.200 176.094 -0.095 0.000 1.045 448 V CA 2.149 64.323 62.300 -0.209 0.000 1.024 448 V CB -0.945 30.744 31.823 -0.223 0.000 0.651 448 V HN 0.708 nan 8.190 nan 0.000 0.449 449 W N 1.455 122.549 121.300 -0.343 0.000 2.317 449 W HA -0.272 4.388 4.660 0.000 0.000 0.318 449 W C 2.230 178.658 176.519 -0.151 0.000 1.227 449 W CA 2.257 59.465 57.345 -0.229 0.000 1.269 449 W CB -0.431 28.809 29.460 -0.366 0.000 1.155 449 W HN 0.334 nan 8.180 nan 0.000 0.484 450 N N 0.312 118.991 118.700 -0.036 0.000 2.364 450 N HA -0.136 4.604 4.740 0.000 0.000 0.183 450 N C 1.601 177.044 175.510 -0.112 0.000 1.022 450 N CA 1.281 54.292 53.050 -0.064 0.000 0.883 450 N CB -0.627 37.826 38.487 -0.057 0.000 0.965 450 N HN 0.057 nan 8.380 nan 0.000 0.438 451 V N 0.400 120.243 119.914 -0.119 0.000 2.407 451 V HA -0.107 4.013 4.120 0.000 0.000 0.245 451 V C 2.092 178.134 176.094 -0.087 0.000 1.041 451 V CA 0.871 63.114 62.300 -0.094 0.000 1.040 451 V CB -0.243 31.525 31.823 -0.092 0.000 0.671 451 V HN 0.168 nan 8.190 nan 0.000 0.455 452 L N 0.064 121.215 121.223 -0.120 0.000 2.056 452 L HA -0.134 4.206 4.340 0.000 0.000 0.207 452 L C 2.343 179.073 176.870 -0.234 0.000 1.078 452 L CA 1.836 56.580 54.840 -0.161 0.000 0.749 452 L CB -1.170 40.743 42.059 -0.243 0.000 0.901 452 L HN 0.293 nan 8.230 nan 0.000 0.433 453 K N -0.485 119.714 120.400 -0.335 0.000 2.074 453 K HA -0.209 4.111 4.320 0.000 0.000 0.209 453 K C 1.313 177.839 176.600 -0.124 0.000 1.048 453 K CA 1.795 57.929 56.287 -0.255 0.000 0.926 453 K CB 0.034 32.404 32.500 -0.215 0.000 0.713 453 K HN 0.252 nan 8.250 nan 0.000 0.444 454 D N -1.143 119.197 120.400 -0.100 0.000 2.349 454 D HA -0.031 4.609 4.640 0.000 0.000 0.215 454 D C 1.329 177.595 176.300 -0.057 0.000 1.016 454 D CA 1.055 55.017 54.000 -0.063 0.000 0.870 454 D CB 0.554 41.321 40.800 -0.055 0.000 0.917 454 D HN 0.466 nan 8.370 nan 0.000 0.524 455 T N -2.687 111.828 114.554 -0.066 0.000 3.397 455 T HA -0.004 4.346 4.350 0.000 0.000 0.233 455 T C 1.982 176.650 174.700 -0.053 0.000 0.969 455 T CA 0.623 62.691 62.100 -0.053 0.000 1.316 455 T CB -0.694 68.148 68.868 -0.044 0.000 1.175 455 T HN -0.065 nan 8.240 nan 0.000 0.381 456 V N 0.211 120.089 119.914 -0.060 0.000 2.970 456 V HA 0.518 4.638 4.120 0.000 0.000 0.260 456 V C 1.333 177.400 176.094 -0.044 0.000 1.100 456 V CA 0.284 62.555 62.300 -0.049 0.000 1.122 456 V CB -1.699 30.101 31.823 -0.038 0.000 0.721 456 V HN 1.314 nan 8.190 nan 0.000 0.483 457 G N -0.019 108.739 108.800 -0.070 0.000 2.692 457 G HA2 -0.180 3.780 3.960 0.000 0.000 0.686 457 G HA3 -0.180 3.780 3.960 0.000 0.000 0.686 457 G C 0.090 174.931 174.900 -0.098 0.000 1.243 457 G CA 0.176 45.238 45.100 -0.063 0.000 0.782 457 G HN 0.432 nan 8.290 nan 0.000 0.625 458 E N 0.316 120.469 120.200 -0.078 0.000 2.086 458 E HA -0.272 4.078 4.350 0.000 0.000 0.200 458 E C 2.242 178.814 176.600 -0.047 0.000 1.012 458 E CA 2.382 58.736 56.400 -0.077 0.000 0.812 458 E CB 0.003 29.721 29.700 0.029 0.000 0.743 458 E HN 0.694 nan 8.360 nan 0.000 0.453 459 E N 0.369 120.574 120.200 0.009 0.000 2.265 459 E HA -0.156 4.194 4.350 0.000 0.000 0.196 459 E C 1.543 178.164 176.600 0.035 0.000 0.996 459 E CA 0.929 57.359 56.400 0.050 0.000 0.832 459 E CB -0.011 29.730 29.700 0.070 0.000 0.756 459 E HN 0.207 nan 8.360 nan 0.000 0.491 460 E N 0.134 120.341 120.200 0.012 0.000 2.472 460 E HA 0.244 4.594 4.350 0.000 0.000 0.196 460 E C 0.062 176.648 176.600 -0.023 0.000 1.033 460 E CA 0.284 56.731 56.400 0.079 0.000 0.886 460 E CB 0.336 30.117 29.700 0.136 0.000 0.944 460 E HN 0.240 nan 8.360 nan 0.000 0.492 461 A N 1.273 123.957 122.820 -0.227 0.000 2.454 461 A HA 0.402 4.722 4.320 0.000 0.000 0.260 461 A C -0.046 177.325 177.584 -0.355 0.000 1.106 461 A CA -0.057 51.676 52.037 -0.506 0.000 0.780 461 A CB 0.610 18.896 19.000 -1.190 0.000 1.044 461 A HN 0.010 nan 8.150 nan 0.000 0.498 462 V N 3.882 123.715 119.914 -0.135 0.000 3.120 462 V HA 0.694 4.814 4.120 0.000 0.000 0.303 462 V C -1.115 175.116 176.094 0.228 0.000 1.238 462 V CA -0.569 61.799 62.300 0.112 0.000 1.008 462 V CB 2.088 33.891 31.823 -0.033 0.000 1.064 462 V HN 0.901 nan 8.190 nan 0.000 0.434 463 L N 3.374 124.752 121.223 0.258 0.000 2.341 463 L HA 0.654 4.994 4.340 0.000 0.000 0.254 463 L C -1.708 175.247 176.870 0.141 0.000 1.040 463 L CA -0.631 54.343 54.840 0.225 0.000 0.837 463 L CB 2.582 44.749 42.059 0.180 0.000 1.425 463 L HN 0.622 nan 8.230 nan 0.000 0.414 464 F N 1.252 121.149 119.950 -0.087 0.000 2.676 464 F HA 0.610 5.137 4.527 0.000 0.000 0.371 464 F C 0.041 175.895 175.800 0.090 0.000 1.141 464 F CA -0.533 57.358 58.000 -0.181 0.000 1.133 464 F CB 1.365 40.089 39.000 -0.460 0.000 1.376 464 F HN 0.345 nan 8.300 nan 0.000 0.491 465 A N 4.263 127.077 122.820 -0.009 0.000 2.292 465 A HA 0.571 4.891 4.320 0.000 0.000 0.319 465 A C 1.005 178.481 177.584 -0.179 0.000 1.206 465 A CA -0.570 51.432 52.037 -0.058 0.000 0.835 465 A CB 1.066 19.857 19.000 -0.348 0.000 1.164 465 A HN 0.860 nan 8.150 nan 0.000 0.505 466 R N 1.069 121.363 120.500 -0.343 0.000 2.112 466 R HA 0.038 4.378 4.340 0.000 0.000 0.216 466 R C 0.704 176.762 176.300 -0.403 0.000 1.080 466 R CA 1.405 56.985 56.100 -0.866 0.000 0.996 466 R CB 0.052 29.719 30.300 -1.056 0.000 0.902 466 R HN 0.830 nan 8.270 nan 0.000 0.449 467 S N -1.012 114.629 115.700 -0.098 0.000 2.664 467 S HA 0.858 5.328 4.470 0.000 0.000 0.304 467 S C -0.686 173.992 174.600 0.130 0.000 1.099 467 S CA -0.539 57.694 58.200 0.054 0.000 1.003 467 S CB 2.367 65.648 63.200 0.134 0.000 1.092 467 S HN 0.259 nan 8.310 nan 0.000 0.525 468 A N 0.177 123.071 122.820 0.124 0.000 2.601 468 A HA 0.893 5.213 4.320 0.000 0.000 0.291 468 A C -0.543 177.150 177.584 0.181 0.000 1.075 468 A CA -0.445 51.696 52.037 0.174 0.000 0.671 468 A CB 1.081 20.088 19.000 0.012 0.000 1.277 468 A HN 1.526 nan 8.150 nan 0.000 0.417 469 S N -1.030 114.827 115.700 0.263 0.000 2.636 469 S HA 0.564 5.034 4.470 0.000 0.000 0.268 469 S C -1.120 173.605 174.600 0.209 0.000 1.159 469 S CA -0.157 58.200 58.200 0.261 0.000 0.815 469 S CB 1.111 64.502 63.200 0.319 0.000 1.130 469 S HN 1.600 nan 8.310 nan 0.000 0.471 470 V N 2.822 122.735 119.914 -0.001 0.000 2.557 470 V HA 0.426 4.546 4.120 0.000 0.000 0.301 470 V C 1.765 177.739 176.094 -0.200 0.000 1.026 470 V CA 1.950 64.074 62.300 -0.294 0.000 1.137 470 V CB -0.120 31.082 31.823 -1.035 0.000 0.917 470 V HN 1.589 nan 8.190 nan 0.000 0.484 471 G N 4.261 112.920 108.800 -0.235 0.000 2.259 471 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 471 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 471 G C 0.946 175.769 174.900 -0.128 0.000 1.001 471 G CA 0.235 45.239 45.100 -0.160 0.000 0.627 471 G HN 1.274 nan 8.290 nan 0.000 0.501 472 A N 1.111 123.938 122.820 0.012 0.000 2.119 472 A HA 0.142 4.462 4.320 0.000 0.000 0.217 472 A C 2.230 179.632 177.584 -0.303 0.000 1.153 472 A CA 2.118 54.159 52.037 0.006 0.000 0.692 472 A CB -0.391 18.822 19.000 0.354 0.000 0.799 472 A HN 0.957 nan 8.150 nan 0.000 0.458 473 Q N 0.780 120.101 119.800 -0.798 0.000 2.376 473 Q HA -0.209 4.131 4.340 0.000 0.000 0.211 473 Q C 1.177 176.790 176.000 -0.645 0.000 0.986 473 Q CA 1.845 57.066 55.803 -0.971 0.000 0.886 473 Q CB -0.519 27.375 28.738 -1.407 0.000 0.927 473 Q HN 0.667 nan 8.270 nan 0.000 0.457 474 K N 0.059 119.907 120.400 -0.921 0.000 2.288 474 K HA 0.008 4.328 4.320 0.000 0.000 0.201 474 K C -0.142 175.630 176.600 -1.380 0.000 1.048 474 K CA 0.543 56.168 56.287 -1.104 0.000 0.956 474 K CB 0.120 31.814 32.500 -1.343 0.000 0.746 474 K HN 0.185 nan 8.250 nan 0.000 0.461 475 F N 1.749 121.236 119.950 -0.771 0.000 2.434 475 F HA 0.290 4.817 4.527 0.000 0.000 0.316 475 F C -2.225 173.258 175.800 -0.528 0.000 1.222 475 F CA -3.540 53.795 58.000 -1.108 0.000 1.207 475 F CB -0.178 38.372 39.000 -0.751 0.000 1.466 475 F HN -0.145 nan 8.300 nan 0.000 0.545 476 P HA 0.160 nan 4.420 nan 0.000 0.277 476 P C 0.271 177.477 177.300 -0.156 0.000 1.276 476 P CA -0.018 63.045 63.100 -0.061 0.000 0.788 476 P CB 1.550 33.272 31.700 0.037 0.000 1.114 477 V N -1.485 118.293 119.914 -0.227 0.000 3.683 477 V HA -0.209 3.911 4.120 0.000 0.000 0.493 477 V C -1.750 173.987 176.094 -0.594 0.000 0.682 477 V CA 0.737 62.755 62.300 -0.470 0.000 2.008 477 V CB -2.443 28.844 31.823 -0.893 0.000 2.427 477 V HN 0.719 nan 8.190 nan 0.000 0.505 478 H N 5.674 124.582 119.070 -0.269 0.000 2.495 478 H HA 0.775 5.331 4.556 0.000 0.000 0.348 478 H C -0.057 175.047 175.328 -0.373 0.000 1.113 478 H CA 0.412 56.326 56.048 -0.223 0.000 1.195 478 H CB 1.420 31.141 29.762 -0.069 0.000 1.521 478 H HN 1.080 nan 8.280 nan 0.000 0.509 479 W N 2.146 123.113 121.300 -0.555 0.000 2.706 479 W HA 0.538 5.198 4.660 0.000 0.000 0.346 479 W C 0.477 176.839 176.519 -0.262 0.000 1.071 479 W CA -1.338 55.616 57.345 -0.652 0.000 1.206 479 W CB 1.016 30.043 29.460 -0.723 0.000 1.413 479 W HN 0.659 nan 8.180 nan 0.000 0.542 480 G N 1.945 110.586 108.800 -0.264 0.000 2.916 480 G HA2 0.309 4.269 3.960 0.000 0.000 0.205 480 G HA3 0.309 4.269 3.960 0.000 0.000 0.205 480 G C 0.794 175.643 174.900 -0.084 0.000 1.163 480 G CA 0.520 45.729 45.100 0.182 0.000 0.821 480 G HN 1.579 nan 8.290 nan 0.000 0.515 481 G N 0.287 108.583 108.800 -0.839 0.000 2.598 481 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 481 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 481 G C -0.530 174.310 174.900 -0.101 0.000 1.302 481 G CA -0.132 44.564 45.100 -0.675 0.000 0.903 481 G HN 0.224 nan 8.290 nan 0.000 0.575 482 D N 1.515 121.836 120.400 -0.131 0.000 2.508 482 D HA 0.410 5.050 4.640 0.000 0.000 0.224 482 D C 1.300 177.698 176.300 0.164 0.000 1.171 482 D CA 0.588 54.515 54.000 -0.121 0.000 1.006 482 D CB -0.815 39.912 40.800 -0.122 0.000 1.073 482 D HN 0.863 nan 8.370 nan 0.000 0.513 483 C N 0.509 119.953 119.300 0.239 0.000 2.365 483 C HA 0.650 5.110 4.460 0.000 0.000 0.374 483 C C 0.279 175.470 174.990 0.336 0.000 1.318 483 C CA -0.916 58.307 59.018 0.341 0.000 2.239 483 C CB 0.077 28.089 27.740 0.453 0.000 2.144 483 C HN 0.410 nan 8.230 nan 0.000 0.581 484 Y N -0.991 119.501 120.300 0.320 0.000 2.587 484 Y HA 0.546 5.096 4.550 0.000 0.000 0.337 484 Y C 0.792 176.881 175.900 0.315 0.000 1.065 484 Y CA -0.381 57.874 58.100 0.258 0.000 1.126 484 Y CB 1.670 40.251 38.460 0.202 0.000 1.279 484 Y HN 0.909 nan 8.280 nan 0.000 0.489 485 A N 2.757 125.777 122.820 0.335 0.000 3.077 485 A HA 0.285 4.605 4.320 0.000 0.000 0.255 485 A C -0.779 176.977 177.584 0.287 0.000 1.728 485 A CA -0.059 52.147 52.037 0.281 0.000 1.383 485 A CB -1.800 17.270 19.000 0.116 0.000 1.097 485 A HN 0.759 nan 8.150 nan 0.000 0.634 486 N N -2.823 116.096 118.700 0.364 0.000 2.853 486 N HA 0.412 5.152 4.740 0.000 0.000 0.258 486 N C -0.093 175.507 175.510 0.150 0.000 1.444 486 N CA -0.795 52.344 53.050 0.147 0.000 0.837 486 N CB 0.307 38.896 38.487 0.170 0.000 1.489 486 N HN -0.091 nan 8.380 nan 0.000 0.529 487 Y N -0.376 120.077 120.300 0.254 0.000 2.263 487 Y HA 0.045 4.595 4.550 0.000 0.000 0.292 487 Y C 1.607 177.614 175.900 0.179 0.000 1.130 487 Y CA 1.135 59.382 58.100 0.246 0.000 1.179 487 Y CB -0.244 38.389 38.460 0.290 0.000 0.998 487 Y HN 0.642 nan 8.280 nan 0.000 0.532 488 E N -0.742 119.621 120.200 0.272 0.000 2.110 488 E HA -0.160 4.190 4.350 0.000 0.000 0.193 488 E C 2.410 179.097 176.600 0.144 0.000 0.988 488 E CA 1.381 57.869 56.400 0.146 0.000 0.804 488 E CB -0.373 29.392 29.700 0.109 0.000 0.745 488 E HN 0.158 nan 8.360 nan 0.000 0.458 489 S N -0.567 115.257 115.700 0.207 0.000 2.436 489 S HA -0.011 4.459 4.470 0.000 0.000 0.228 489 S C 1.818 176.556 174.600 0.230 0.000 1.014 489 S CA 0.622 58.977 58.200 0.259 0.000 0.950 489 S CB -0.115 63.319 63.200 0.391 0.000 0.784 489 S HN 0.244 nan 8.310 nan 0.000 0.504 490 M N 1.034 120.646 119.600 0.020 0.000 2.108 490 M HA -0.093 4.387 4.480 0.000 0.000 0.261 490 M C 2.105 178.509 176.300 0.173 0.000 1.066 490 M CA 1.753 56.840 55.300 -0.355 0.000 1.107 490 M CB -0.409 31.848 32.600 -0.571 0.000 1.356 490 M HN 0.447 nan 8.290 nan 0.000 0.406 491 A N 0.547 123.488 122.820 0.203 0.000 1.933 491 A HA -0.228 4.092 4.320 0.000 0.000 0.218 491 A C 1.938 179.559 177.584 0.062 0.000 1.175 491 A CA 1.920 53.932 52.037 -0.041 0.000 0.628 491 A CB -0.953 17.789 19.000 -0.430 0.000 0.814 491 A HN 0.781 nan 8.150 nan 0.000 0.444 492 E N -0.403 119.879 120.200 0.138 0.000 2.152 492 E HA -0.099 4.251 4.350 0.000 0.000 0.192 492 E C 1.893 178.729 176.600 0.394 0.000 0.983 492 E CA 1.317 57.849 56.400 0.219 0.000 0.818 492 E CB -0.377 29.441 29.700 0.197 0.000 0.758 492 E HN 0.408 nan 8.360 nan 0.000 0.467 493 S N 1.114 117.062 115.700 0.414 0.000 2.359 493 S HA -0.156 4.314 4.470 0.000 0.000 0.224 493 S C 1.863 176.760 174.600 0.496 0.000 1.035 493 S CA 1.291 59.851 58.200 0.600 0.000 1.018 493 S CB -0.411 63.156 63.200 0.612 0.000 0.876 493 S HN 0.301 nan 8.310 nan 0.000 0.448 494 L N 2.347 123.791 121.223 0.368 0.000 1.989 494 L HA -0.112 4.228 4.340 0.000 0.000 0.211 494 L C 2.243 179.073 176.870 -0.066 0.000 1.071 494 L CA 1.766 56.707 54.840 0.168 0.000 0.749 494 L CB -0.615 41.496 42.059 0.087 0.000 0.890 494 L HN 0.156 nan 8.230 nan 0.000 0.431 495 R N -0.380 120.119 120.500 -0.003 0.000 2.113 495 R HA -0.181 4.159 4.340 0.000 0.000 0.244 495 R C 2.223 178.398 176.300 -0.209 0.000 1.142 495 R CA 1.382 57.438 56.100 -0.074 0.000 0.953 495 R CB -1.391 28.901 30.300 -0.012 0.000 0.860 495 R HN 0.617 nan 8.270 nan 0.000 0.438 496 G N 0.639 109.331 108.800 -0.179 0.000 2.491 496 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 496 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 496 G C 1.572 176.005 174.900 -0.778 0.000 1.180 496 G CA 1.090 45.907 45.100 -0.472 0.000 0.774 496 G HN 0.484 nan 8.290 nan 0.000 0.562 497 G N 0.722 108.736 108.800 -1.309 0.000 2.440 497 G HA2 -0.170 3.790 3.960 0.000 0.000 0.218 497 G HA3 -0.170 3.790 3.960 0.000 0.000 0.218 497 G C 1.845 176.171 174.900 -0.957 0.000 1.154 497 G CA 0.870 44.678 45.100 -2.152 0.000 0.767 497 G HN 0.436 nan 8.290 nan 0.000 0.552 498 L N 0.598 121.472 121.223 -0.582 0.000 2.083 498 L HA -0.071 4.269 4.340 0.000 0.000 0.209 498 L C 3.170 179.867 176.870 -0.288 0.000 1.083 498 L CA 1.180 55.822 54.840 -0.328 0.000 0.752 498 L CB -0.315 41.633 42.059 -0.186 0.000 0.899 498 L HN 0.181 nan 8.230 nan 0.000 0.433 499 S N -0.208 115.291 115.700 -0.334 0.000 2.371 499 S HA -0.102 4.368 4.470 0.000 0.000 0.224 499 S C 1.964 176.396 174.600 -0.280 0.000 1.029 499 S CA 0.907 58.948 58.200 -0.266 0.000 0.978 499 S CB -0.125 62.891 63.200 -0.307 0.000 0.833 499 S HN 0.313 nan 8.310 nan 0.000 0.466 500 I N 1.443 121.766 120.570 -0.412 0.000 2.315 500 I HA -0.135 4.035 4.170 0.000 0.000 0.248 500 I C 2.265 178.286 176.117 -0.159 0.000 1.117 500 I CA 1.116 62.183 61.300 -0.388 0.000 1.404 500 I CB -0.552 37.111 38.000 -0.561 0.000 1.071 500 I HN 0.392 nan 8.210 nan 0.000 0.419 501 G N 0.609 109.298 108.800 -0.185 0.000 2.422 501 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 501 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 501 G C 1.561 176.413 174.900 -0.081 0.000 1.140 501 G CA 0.237 45.274 45.100 -0.104 0.000 0.775 501 G HN 0.379 nan 8.290 nan 0.000 0.545 502 L N 1.042 122.210 121.223 -0.091 0.000 2.551 502 L HA 0.088 4.428 4.340 0.000 0.000 0.228 502 L C 1.635 178.532 176.870 0.045 0.000 1.153 502 L CA 0.444 55.259 54.840 -0.041 0.000 0.851 502 L CB 0.344 42.373 42.059 -0.050 0.000 0.959 502 L HN 0.089 nan 8.230 nan 0.000 0.451 503 S N -0.717 114.998 115.700 0.025 0.000 2.602 503 S HA 0.391 4.861 4.470 0.000 0.000 0.240 503 S C 1.161 175.765 174.600 0.006 0.000 0.992 503 S CA 0.355 58.587 58.200 0.054 0.000 0.971 503 S CB 1.014 64.252 63.200 0.064 0.000 0.855 503 S HN 0.495 nan 8.310 nan 0.000 0.481 504 G N 1.185 109.962 108.800 -0.038 0.000 2.163 504 G HA2 -0.211 3.749 3.960 0.000 0.000 0.213 504 G HA3 -0.211 3.749 3.960 0.000 0.000 0.213 504 G C -0.184 174.562 174.900 -0.258 0.000 0.991 504 G CA -0.672 44.355 45.100 -0.121 0.000 0.653 504 G HN 0.456 nan 8.290 nan 0.000 0.518 505 F N 0.492 120.326 119.950 -0.194 0.000 2.436 505 F HA 0.582 5.109 4.527 0.000 0.000 0.340 505 F C 1.506 177.176 175.800 -0.217 0.000 1.113 505 F CA -0.007 57.878 58.000 -0.192 0.000 1.022 505 F CB 2.098 40.974 39.000 -0.207 0.000 1.128 505 F HN -0.000 nan 8.300 nan 0.000 0.466 506 G N 2.513 111.205 108.800 -0.181 0.000 2.662 506 G HA2 0.102 4.062 3.960 0.000 0.000 0.212 506 G HA3 0.102 4.062 3.960 0.000 0.000 0.212 506 G C -0.256 174.153 174.900 -0.819 0.000 1.141 506 G CA 0.340 45.072 45.100 -0.613 0.000 0.797 506 G HN 0.359 nan 8.290 nan 0.000 0.531 507 F N -1.799 118.239 119.950 0.147 0.000 2.556 507 F HA 0.657 5.184 4.527 0.000 0.000 0.314 507 F C -1.053 174.865 175.800 0.197 0.000 1.106 507 F CA -1.584 56.504 58.000 0.147 0.000 0.911 507 F CB 2.005 41.005 39.000 -0.001 0.000 1.190 507 F HN 0.029 nan 8.300 nan 0.000 0.448 508 W N 2.490 123.860 121.300 0.116 0.000 3.439 508 W HA 0.639 5.299 4.660 0.000 0.000 0.323 508 W C -1.435 175.099 176.519 0.025 0.000 1.174 508 W CA -0.633 56.727 57.345 0.024 0.000 1.224 508 W CB 1.933 31.407 29.460 0.023 0.000 1.348 508 W HN 0.535 nan 8.180 nan 0.000 0.498 509 S N 2.843 118.060 115.700 -0.805 0.000 2.726 509 S HA 0.847 5.317 4.470 0.000 0.000 0.308 509 S C -1.074 172.830 174.600 -1.160 0.000 1.115 509 S CA -0.354 57.339 58.200 -0.844 0.000 0.965 509 S CB 0.963 63.758 63.200 -0.674 0.000 1.145 509 S HN 0.666 nan 8.310 nan 0.000 0.532 510 H N -0.969 117.660 119.070 -0.736 0.000 2.990 510 H HA 0.542 5.098 4.556 0.000 0.000 0.343 510 H C -1.870 173.390 175.328 -0.114 0.000 1.270 510 H CA -1.080 54.754 56.048 -0.357 0.000 1.118 510 H CB 0.158 29.747 29.762 -0.289 0.000 1.861 510 H HN 0.279 nan 8.280 nan 0.000 0.544 511 D N 1.446 121.911 120.400 0.107 0.000 2.359 511 D HA 0.156 4.796 4.640 0.000 0.000 0.250 511 D C 0.155 176.204 176.300 -0.418 0.000 1.264 511 D CA 0.024 53.981 54.000 -0.071 0.000 0.911 511 D CB 0.239 41.091 40.800 0.087 0.000 1.056 511 D HN 0.374 nan 8.370 nan 0.000 0.499 512 I N 1.516 121.798 120.570 -0.479 0.000 2.598 512 I HA 0.074 4.244 4.170 0.000 0.000 0.284 512 I C 1.656 177.289 176.117 -0.807 0.000 1.140 512 I CA 0.304 61.171 61.300 -0.721 0.000 1.420 512 I CB 0.539 38.298 38.000 -0.401 0.000 1.387 512 I HN 0.617 nan 8.210 nan 0.000 0.553 513 G N 4.190 112.257 108.800 -1.221 0.000 2.179 513 G HA2 -0.107 3.853 3.960 0.000 0.000 0.260 513 G HA3 -0.107 3.853 3.960 0.000 0.000 0.260 513 G C 0.596 175.034 174.900 -0.771 0.000 0.977 513 G CA 0.066 44.769 45.100 -0.661 0.000 0.641 513 G HN 1.594 nan 8.290 nan 0.000 0.533 514 G N -1.958 106.041 108.800 -1.335 0.000 2.767 514 G HA2 0.135 4.095 3.960 0.000 0.000 0.686 514 G HA3 0.135 4.095 3.960 0.000 0.000 0.686 514 G C 0.255 175.023 174.900 -0.221 0.000 1.213 514 G CA 0.165 44.886 45.100 -0.631 0.000 0.803 514 G HN 1.455 nan 8.290 nan 0.000 0.603 515 F N 1.400 121.221 119.950 -0.214 0.000 2.037 515 F HA 0.195 4.722 4.527 0.000 0.000 0.291 515 F C 1.544 177.222 175.800 -0.204 0.000 1.137 515 F CA 1.615 59.496 58.000 -0.197 0.000 1.178 515 F CB 0.117 39.062 39.000 -0.092 0.000 0.995 515 F HN 0.510 nan 8.300 nan 0.000 0.472 516 E N 2.180 122.184 120.200 -0.328 0.000 2.313 516 E HA 0.178 4.528 4.350 0.000 0.000 0.276 516 E C -0.640 175.766 176.600 -0.322 0.000 1.031 516 E CA 0.008 56.081 56.400 -0.545 0.000 0.857 516 E CB 0.673 29.827 29.700 -0.910 0.000 1.040 516 E HN 0.514 nan 8.360 nan 0.000 0.408 517 N N 0.222 118.795 118.700 -0.211 0.000 6.084 517 N HA -0.130 4.610 4.740 0.000 0.000 0.397 517 N C -1.196 174.276 175.510 -0.063 0.000 1.184 517 N CA 0.421 53.435 53.050 -0.059 0.000 2.157 517 N CB -0.273 38.267 38.487 0.088 0.000 0.675 517 N HN 0.332 nan 8.380 nan 0.000 0.568 518 T N 0.984 115.526 114.554 -0.020 0.000 2.770 518 T HA 0.578 4.928 4.350 0.000 0.000 0.297 518 T C 0.120 174.868 174.700 0.080 0.000 0.997 518 T CA -0.154 61.944 62.100 -0.003 0.000 0.949 518 T CB 1.051 69.871 68.868 -0.079 0.000 0.941 518 T HN 0.630 nan 8.240 nan 0.000 0.457 519 A N 5.938 128.857 122.820 0.166 0.000 2.511 519 A HA 0.446 4.766 4.320 0.000 0.000 0.242 519 A C -2.091 175.590 177.584 0.162 0.000 1.069 519 A CA -0.991 51.133 52.037 0.145 0.000 0.763 519 A CB -0.398 18.682 19.000 0.133 0.000 1.001 519 A HN 0.478 nan 8.150 nan 0.000 0.498 520 P HA 0.091 nan 4.420 nan 0.000 0.266 520 P C 0.996 178.314 177.300 0.030 0.000 1.193 520 P CA 0.783 63.898 63.100 0.024 0.000 0.770 520 P CB 0.584 32.218 31.700 -0.110 0.000 0.836 521 A N 3.241 126.147 122.820 0.143 0.000 1.927 521 A HA -0.283 4.037 4.320 0.000 0.000 0.220 521 A C 1.923 179.518 177.584 0.019 0.000 1.185 521 A CA 2.490 54.602 52.037 0.124 0.000 0.639 521 A CB -1.923 17.143 19.000 0.111 0.000 0.820 521 A HN 0.855 nan 8.150 nan 0.000 0.451 522 H N -1.868 117.227 119.070 0.043 0.000 2.421 522 H HA 0.016 4.572 4.556 0.000 0.000 0.298 522 H C 1.546 177.053 175.328 0.300 0.000 1.087 522 H CA 1.404 57.510 56.048 0.096 0.000 1.330 522 H CB -0.687 29.307 29.762 0.386 0.000 1.388 522 H HN 0.134 nan 8.280 nan 0.000 0.526 523 V N 0.517 120.289 119.914 -0.236 0.000 2.379 523 V HA -0.247 3.873 4.120 0.000 0.000 0.245 523 V C 2.290 178.461 176.094 0.129 0.000 1.044 523 V CA 1.897 64.106 62.300 -0.151 0.000 1.036 523 V CB -0.897 30.668 31.823 -0.431 0.000 0.664 523 V HN 0.472 nan 8.190 nan 0.000 0.453 524 Y N 1.255 121.486 120.300 -0.115 0.000 2.165 524 Y HA -0.301 4.249 4.550 0.000 0.000 0.286 524 Y C 2.458 178.323 175.900 -0.059 0.000 1.155 524 Y CA 2.104 60.060 58.100 -0.241 0.000 1.164 524 Y CB -0.150 37.824 38.460 -0.810 0.000 0.978 524 Y HN 0.162 nan 8.280 nan 0.000 0.513 525 K N -0.398 120.014 120.400 0.020 0.000 2.001 525 K HA -0.151 4.169 4.320 0.000 0.000 0.208 525 K C 2.149 178.867 176.600 0.196 0.000 1.048 525 K CA 1.442 57.773 56.287 0.074 0.000 0.932 525 K CB -0.116 32.379 32.500 -0.009 0.000 0.715 525 K HN 0.067 nan 8.250 nan 0.000 0.437 526 R N 0.252 120.960 120.500 0.346 0.000 2.096 526 R HA -0.189 4.151 4.340 0.000 0.000 0.240 526 R C 1.997 178.424 176.300 0.212 0.000 1.139 526 R CA 1.248 57.524 56.100 0.294 0.000 0.952 526 R CB -1.025 29.523 30.300 0.413 0.000 0.854 526 R HN 0.466 nan 8.270 nan 0.000 0.436 527 W N 0.943 122.283 121.300 0.067 0.000 2.374 527 W HA -0.154 4.506 4.660 0.000 0.000 0.288 527 W C 2.120 178.606 176.519 -0.054 0.000 1.218 527 W CA 0.171 57.563 57.345 0.078 0.000 1.245 527 W CB -0.603 28.870 29.460 0.020 0.000 1.126 527 W HN 0.078 nan 8.180 nan 0.000 0.545 528 C N 0.144 119.462 119.300 0.030 0.000 2.413 528 C HA -0.174 4.286 4.460 0.000 0.000 0.276 528 C C 3.092 178.027 174.990 -0.091 0.000 1.236 528 C CA 1.879 60.834 59.018 -0.105 0.000 1.735 528 C CB -1.533 26.102 27.740 -0.175 0.000 2.031 528 C HN 0.364 nan 8.230 nan 0.000 0.474 529 A N -0.015 122.658 122.820 -0.245 0.000 1.877 529 A HA -0.197 4.123 4.320 0.000 0.000 0.216 529 A C 1.988 179.491 177.584 -0.135 0.000 1.186 529 A CA 1.829 53.447 52.037 -0.699 0.000 0.620 529 A CB -0.868 17.733 19.000 -0.665 0.000 0.822 529 A HN 0.526 nan 8.150 nan 0.000 0.443 530 F N 1.415 121.326 119.950 -0.065 0.000 2.102 530 F HA -0.035 4.492 4.527 0.000 0.000 0.298 530 F C 2.299 178.280 175.800 0.303 0.000 1.105 530 F CA 1.336 59.419 58.000 0.138 0.000 1.239 530 F CB -1.176 37.865 39.000 0.069 0.000 0.991 530 F HN 0.179 nan 8.300 nan 0.000 0.474 531 G N 0.845 109.766 108.800 0.202 0.000 2.442 531 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 531 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 531 G C 1.577 176.480 174.900 0.005 0.000 1.141 531 G CA 0.804 45.868 45.100 -0.061 0.000 0.763 531 G HN 0.364 nan 8.290 nan 0.000 0.554 532 L N -0.031 121.244 121.223 0.086 0.000 2.446 532 L HA 0.269 4.609 4.340 0.000 0.000 0.219 532 L C 1.629 178.628 176.870 0.215 0.000 1.116 532 L CA 0.501 55.427 54.840 0.143 0.000 0.844 532 L CB -0.271 41.901 42.059 0.187 0.000 0.970 532 L HN 0.137 nan 8.230 nan 0.000 0.457 533 L N -0.771 120.610 121.223 0.264 0.000 2.688 533 L HA 0.201 4.541 4.340 0.000 0.000 0.234 533 L C 0.675 177.837 176.870 0.486 0.000 1.192 533 L CA 0.369 55.429 54.840 0.368 0.000 0.984 533 L CB -0.835 41.442 42.059 0.363 0.000 1.232 533 L HN 0.046 nan 8.230 nan 0.000 0.465 534 S N -1.686 114.238 115.700 0.372 0.000 2.664 534 S HA 0.302 4.772 4.470 0.000 0.000 0.304 534 S C 1.289 176.067 174.600 0.297 0.000 1.099 534 S CA 0.050 58.466 58.200 0.360 0.000 1.003 534 S CB 1.977 65.352 63.200 0.291 0.000 1.092 534 S HN 0.367 nan 8.310 nan 0.000 0.525 535 S N 0.849 116.760 115.700 0.350 0.000 2.365 535 S HA -0.176 4.294 4.470 0.000 0.000 0.225 535 S C 0.165 174.817 174.600 0.087 0.000 1.039 535 S CA 1.379 59.833 58.200 0.424 0.000 1.033 535 S CB -0.516 63.073 63.200 0.649 0.000 0.887 535 S HN 0.769 nan 8.310 nan 0.000 0.447 536 H N -0.093 118.953 119.070 -0.041 0.000 2.679 536 H HA 0.696 5.252 4.556 0.000 0.000 0.360 536 H C -1.140 174.059 175.328 -0.215 0.000 1.105 536 H CA -0.550 55.392 56.048 -0.177 0.000 1.196 536 H CB 2.098 31.652 29.762 -0.346 0.000 1.636 536 H HN 0.154 nan 8.280 nan 0.000 0.531 537 S N 2.796 118.461 115.700 -0.058 0.000 2.640 537 S HA 0.512 4.982 4.470 0.000 0.000 0.320 537 S C -0.424 174.129 174.600 -0.079 0.000 1.097 537 S CA -0.886 57.257 58.200 -0.095 0.000 1.092 537 S CB 1.061 64.280 63.200 0.032 0.000 0.988 537 S HN 0.559 nan 8.310 nan 0.000 0.470 538 R N 3.121 123.499 120.500 -0.204 0.000 2.574 538 R HA 0.511 4.851 4.340 0.000 0.000 0.288 538 R C -1.721 174.469 176.300 -0.183 0.000 1.004 538 R CA -0.694 55.291 56.100 -0.191 0.000 0.895 538 R CB 0.887 30.941 30.300 -0.411 0.000 1.191 538 R HN 0.586 nan 8.270 nan 0.000 0.444 539 L N 4.747 125.907 121.223 -0.106 0.000 2.261 539 L HA 0.397 4.737 4.340 0.000 0.000 0.289 539 L C -0.679 176.172 176.870 -0.032 0.000 1.059 539 L CA -0.427 54.363 54.840 -0.082 0.000 0.816 539 L CB 0.776 42.810 42.059 -0.042 0.000 1.191 539 L HN 0.641 nan 8.230 nan 0.000 0.431 540 H N 2.402 121.386 119.070 -0.143 0.000 3.038 540 H HA 0.730 5.286 4.556 0.000 0.000 0.362 540 H C -0.870 174.466 175.328 0.013 0.000 1.167 540 H CA -0.500 55.497 56.048 -0.084 0.000 1.197 540 H CB 2.037 31.699 29.762 -0.166 0.000 1.840 540 H HN 0.533 nan 8.280 nan 0.000 0.540 541 G N 1.361 109.865 108.800 -0.493 0.000 2.660 541 G HA2 0.376 4.336 3.960 0.000 0.000 0.294 541 G HA3 0.376 4.336 3.960 0.000 0.000 0.294 541 G C -0.046 174.501 174.900 -0.588 0.000 1.369 541 G CA -0.048 44.786 45.100 -0.444 0.000 0.912 541 G HN 0.634 nan 8.290 nan 0.000 0.479 542 S N -0.235 114.918 115.700 -0.912 0.000 2.325 542 S HA 0.019 4.489 4.470 0.000 0.000 0.214 542 S C 1.787 176.232 174.600 -0.257 0.000 1.031 542 S CA 1.411 59.093 58.200 -0.862 0.000 0.972 542 S CB -0.190 62.196 63.200 -1.356 0.000 0.908 542 S HN 0.477 nan 8.310 nan 0.000 0.453 543 K N 0.514 120.728 120.400 -0.311 0.000 2.374 543 K HA 0.248 4.568 4.320 0.000 0.000 0.202 543 K C -0.291 176.131 176.600 -0.296 0.000 1.040 543 K CA 0.003 56.146 56.287 -0.240 0.000 1.085 543 K CB 1.041 33.425 32.500 -0.193 0.000 0.873 543 K HN 0.441 nan 8.250 nan 0.000 0.539 544 S N -0.900 114.599 115.700 -0.334 0.000 2.579 544 S HA 0.421 4.891 4.470 0.000 0.000 0.272 544 S C -0.855 173.517 174.600 -0.380 0.000 1.141 544 S CA -1.062 56.892 58.200 -0.411 0.000 0.843 544 S CB 0.589 63.610 63.200 -0.299 0.000 1.122 544 S HN -0.023 nan 8.310 nan 0.000 0.468 545 Y N 0.918 121.149 120.300 -0.114 0.000 2.357 545 Y HA 0.453 5.003 4.550 0.000 0.000 0.340 545 Y C 1.737 177.501 175.900 -0.226 0.000 1.260 545 Y CA -0.782 57.226 58.100 -0.153 0.000 1.425 545 Y CB 0.512 38.867 38.460 -0.175 0.000 1.326 545 Y HN 0.552 nan 8.280 nan 0.000 0.580 546 R N 1.062 121.528 120.500 -0.056 0.000 2.546 546 R HA 0.182 4.522 4.340 0.000 0.000 0.320 546 R C -0.854 175.341 176.300 -0.174 0.000 1.021 546 R CA -0.204 55.886 56.100 -0.016 0.000 1.088 546 R CB -0.558 29.764 30.300 0.036 0.000 1.278 546 R HN 0.515 nan 8.270 nan 0.000 0.557 547 V N 0.175 119.746 119.914 -0.571 0.000 2.655 547 V HA 0.135 4.255 4.120 0.000 0.000 0.300 547 V C -1.241 174.447 176.094 -0.675 0.000 1.044 547 V CA -1.258 60.464 62.300 -0.964 0.000 1.095 547 V CB 0.753 31.290 31.823 -2.143 0.000 0.952 547 V HN -0.035 nan 8.190 nan 0.000 0.485 548 P HA -0.111 nan 4.420 nan 0.000 0.219 548 P C 1.252 178.585 177.300 0.055 0.000 1.146 548 P CA 1.825 64.940 63.100 0.024 0.000 0.808 548 P CB -0.128 31.738 31.700 0.276 0.000 0.779 549 W N -0.167 121.151 121.300 0.031 0.000 2.937 549 W HA 0.420 5.080 4.660 0.000 0.000 0.245 549 W C 1.766 178.257 176.519 -0.047 0.000 1.306 549 W CA 0.493 57.844 57.345 0.009 0.000 1.470 549 W CB -1.614 27.851 29.460 0.008 0.000 1.132 549 W HN -0.129 nan 8.180 nan 0.000 0.675 550 A N -0.021 122.579 122.820 -0.366 0.000 2.121 550 A HA -0.051 4.269 4.320 0.000 0.000 0.218 550 A C 1.374 178.638 177.584 -0.534 0.000 1.154 550 A CA 1.235 53.019 52.037 -0.422 0.000 0.679 550 A CB -0.745 17.901 19.000 -0.589 0.000 0.795 550 A HN 0.497 nan 8.150 nan 0.000 0.458 551 Y N -0.049 120.086 120.300 -0.275 0.000 2.331 551 Y HA 0.287 4.837 4.550 0.000 0.000 0.282 551 Y C 0.582 176.435 175.900 -0.079 0.000 1.140 551 Y CA 0.404 58.366 58.100 -0.231 0.000 1.198 551 Y CB 0.263 38.473 38.460 -0.418 0.000 1.159 551 Y HN 0.504 nan 8.280 nan 0.000 0.512 552 D N -2.830 117.659 120.400 0.149 0.000 2.725 552 D HA 0.083 4.723 4.640 0.000 0.000 0.292 552 D C -0.363 176.028 176.300 0.152 0.000 1.288 552 D CA -0.431 53.644 54.000 0.125 0.000 0.784 552 D CB 0.313 41.172 40.800 0.098 0.000 1.308 552 D HN -0.114 nan 8.370 nan 0.000 0.429 553 D N 0.123 120.602 120.400 0.132 0.000 2.104 553 D HA -0.182 4.458 4.640 0.000 0.000 0.194 553 D C 1.455 177.839 176.300 0.141 0.000 0.994 553 D CA 1.668 55.748 54.000 0.134 0.000 0.830 553 D CB -0.041 40.819 40.800 0.101 0.000 0.959 553 D HN 0.714 nan 8.370 nan 0.000 0.452 554 E N 0.507 120.781 120.200 0.123 0.000 2.171 554 E HA -0.172 4.178 4.350 0.000 0.000 0.197 554 E C 1.864 178.556 176.600 0.153 0.000 0.997 554 E CA 1.124 57.601 56.400 0.127 0.000 0.810 554 E CB 0.111 29.874 29.700 0.104 0.000 0.738 554 E HN 0.037 nan 8.360 nan 0.000 0.467 555 S N -0.269 115.530 115.700 0.165 0.000 2.400 555 S HA -0.186 4.284 4.470 0.000 0.000 0.232 555 S C 2.011 176.775 174.600 0.273 0.000 1.025 555 S CA 1.131 59.475 58.200 0.240 0.000 0.993 555 S CB -0.287 63.079 63.200 0.276 0.000 0.808 555 S HN 0.478 nan 8.310 nan 0.000 0.478 556 C N 1.754 121.203 119.300 0.248 0.000 2.440 556 C HA -0.026 4.434 4.460 0.000 0.000 0.278 556 C C 2.326 177.444 174.990 0.212 0.000 1.295 556 C CA 0.196 59.365 59.018 0.251 0.000 1.738 556 C CB -1.185 26.702 27.740 0.245 0.000 1.987 556 C HN 0.541 nan 8.230 nan 0.000 0.492 557 D N 0.757 121.269 120.400 0.188 0.000 2.178 557 D HA -0.081 4.559 4.640 0.000 0.000 0.202 557 D C 2.156 178.583 176.300 0.212 0.000 0.974 557 D CA 0.933 55.034 54.000 0.169 0.000 0.841 557 D CB -0.337 40.544 40.800 0.134 0.000 0.953 557 D HN 0.299 nan 8.370 nan 0.000 0.478 558 V N 0.555 120.623 119.914 0.256 0.000 2.283 558 V HA -0.171 3.949 4.120 0.000 0.000 0.243 558 V C 2.660 179.008 176.094 0.424 0.000 1.039 558 V CA 0.867 63.390 62.300 0.372 0.000 1.016 558 V CB -0.426 31.613 31.823 0.360 0.000 0.650 558 V HN 0.042 nan 8.190 nan 0.000 0.449 559 V N 0.093 120.188 119.914 0.303 0.000 2.324 559 V HA -0.319 3.801 4.120 0.000 0.000 0.250 559 V C 2.534 178.774 176.094 0.242 0.000 1.060 559 V CA 2.534 64.989 62.300 0.258 0.000 1.042 559 V CB -0.822 31.131 31.823 0.216 0.000 0.650 559 V HN 0.460 nan 8.190 nan 0.000 0.450 560 R N -0.927 119.701 120.500 0.213 0.000 2.066 560 R HA -0.139 4.201 4.340 0.000 0.000 0.232 560 R C 2.262 178.622 176.300 0.100 0.000 1.131 560 R CA 1.799 57.988 56.100 0.148 0.000 0.955 560 R CB -0.384 29.994 30.300 0.129 0.000 0.851 560 R HN 0.493 nan 8.270 nan 0.000 0.432 561 F N -0.008 119.908 119.950 -0.056 0.000 2.095 561 F HA -0.208 4.319 4.527 0.000 0.000 0.298 561 F C 1.382 176.980 175.800 -0.338 0.000 1.104 561 F CA 1.647 59.479 58.000 -0.280 0.000 1.232 561 F CB -0.139 38.574 39.000 -0.478 0.000 0.987 561 F HN -0.019 nan 8.300 nan 0.000 0.475 562 F N -0.415 119.572 119.950 0.062 0.000 2.569 562 F HA -0.010 4.517 4.527 0.000 0.000 0.295 562 F C 2.359 178.145 175.800 -0.023 0.000 1.115 562 F CA 1.117 59.103 58.000 -0.023 0.000 1.450 562 F CB -1.046 38.048 39.000 0.157 0.000 1.107 562 F HN -0.157 nan 8.300 nan 0.000 0.563 563 T N -0.634 114.023 114.554 0.171 0.000 2.770 563 T HA -0.177 4.173 4.350 0.000 0.000 0.263 563 T C 1.937 176.680 174.700 0.071 0.000 1.039 563 T CA 1.255 63.446 62.100 0.153 0.000 1.142 563 T CB -0.229 68.749 68.868 0.183 0.000 0.868 563 T HN 0.246 nan 8.240 nan 0.000 0.435 564 Q N 0.240 120.022 119.800 -0.030 0.000 2.002 564 Q HA -0.120 4.220 4.340 0.000 0.000 0.204 564 Q C 2.338 178.245 176.000 -0.155 0.000 0.988 564 Q CA 1.377 57.120 55.803 -0.100 0.000 0.843 564 Q CB -0.452 28.172 28.738 -0.191 0.000 0.908 564 Q HN 0.277 nan 8.270 nan 0.000 0.420 565 L N 1.449 122.472 121.223 -0.334 0.000 1.997 565 L HA -0.294 4.046 4.340 0.000 0.000 0.216 565 L C 2.189 179.017 176.870 -0.071 0.000 1.074 565 L CA 2.034 56.681 54.840 -0.320 0.000 0.763 565 L CB -0.483 41.262 42.059 -0.523 0.000 0.890 565 L HN 0.099 nan 8.230 nan 0.000 0.434 566 K N -1.460 118.955 120.400 0.024 0.000 2.097 566 K HA -0.177 4.143 4.320 0.000 0.000 0.206 566 K C 2.142 178.800 176.600 0.096 0.000 1.049 566 K CA 1.678 58.025 56.287 0.099 0.000 0.933 566 K CB -0.316 32.274 32.500 0.149 0.000 0.717 566 K HN 0.533 nan 8.250 nan 0.000 0.442 567 C N 0.602 119.962 119.300 0.101 0.000 2.429 567 C HA -0.040 4.420 4.460 0.000 0.000 0.277 567 C C 2.613 177.742 174.990 0.232 0.000 1.262 567 C CA 0.643 59.765 59.018 0.173 0.000 1.733 567 C CB -0.844 26.989 27.740 0.155 0.000 2.010 567 C HN 0.497 nan 8.230 nan 0.000 0.483 568 R N 0.349 120.921 120.500 0.120 0.000 2.120 568 R HA -0.055 4.285 4.340 0.000 0.000 0.234 568 R C 1.879 178.241 176.300 0.104 0.000 1.123 568 R CA 1.272 57.445 56.100 0.121 0.000 0.975 568 R CB -0.292 30.016 30.300 0.014 0.000 0.866 568 R HN 0.583 nan 8.270 nan 0.000 0.446 569 M N -0.049 119.591 119.600 0.066 0.000 2.618 569 M HA 0.021 4.501 4.480 0.000 0.000 0.240 569 M C 1.651 177.941 176.300 -0.017 0.000 1.123 569 M CA 0.436 55.777 55.300 0.068 0.000 1.060 569 M CB 0.081 32.757 32.600 0.127 0.000 1.535 569 M HN 0.009 nan 8.290 nan 0.000 0.507 570 M N 0.584 120.118 119.600 -0.111 0.000 2.143 570 M HA -0.135 4.345 4.480 0.000 0.000 0.258 570 M C -0.704 175.066 176.300 -0.885 0.000 1.071 570 M CA 1.990 57.020 55.300 -0.450 0.000 1.088 570 M CB -2.197 30.166 32.600 -0.395 0.000 1.360 570 M HN 0.044 nan 8.290 nan 0.000 0.404 571 P HA -0.162 nan 4.420 nan 0.000 0.217 571 P C 1.556 178.695 177.300 -0.270 0.000 1.150 571 P CA 1.203 63.942 63.100 -0.602 0.000 0.832 571 P CB -0.377 31.217 31.700 -0.177 0.000 0.787 572 Y N 0.423 120.578 120.300 -0.242 0.000 2.130 572 Y HA -0.135 4.415 4.550 0.000 0.000 0.287 572 Y C 2.044 177.831 175.900 -0.187 0.000 1.124 572 Y CA 1.299 59.314 58.100 -0.142 0.000 1.118 572 Y CB -1.187 37.233 38.460 -0.067 0.000 0.994 572 Y HN -0.280 nan 8.280 nan 0.000 0.497 573 L N -0.344 120.684 121.223 -0.326 0.000 2.013 573 L HA -0.268 4.072 4.340 0.000 0.000 0.212 573 L C 2.322 178.891 176.870 -0.503 0.000 1.073 573 L CA 1.906 56.498 54.840 -0.413 0.000 0.753 573 L CB -1.884 40.040 42.059 -0.225 0.000 0.890 573 L HN 0.386 nan 8.230 nan 0.000 0.432 574 Y N -0.033 119.805 120.300 -0.769 0.000 2.352 574 Y HA -0.243 4.307 4.550 0.000 0.000 0.292 574 Y C 2.756 178.392 175.900 -0.440 0.000 1.136 574 Y CA 1.461 59.111 58.100 -0.750 0.000 1.227 574 Y CB -0.094 37.743 38.460 -1.038 0.000 0.991 574 Y HN 0.105 nan 8.280 nan 0.000 0.545 575 R N 0.759 121.053 120.500 -0.343 0.000 2.090 575 R HA -0.094 4.246 4.340 0.000 0.000 0.228 575 R C 1.845 177.980 176.300 -0.276 0.000 1.110 575 R CA 1.722 57.677 56.100 -0.241 0.000 0.973 575 R CB -0.371 29.843 30.300 -0.144 0.000 0.869 575 R HN 0.212 nan 8.270 nan 0.000 0.440 576 E N 0.278 120.249 120.200 -0.382 0.000 2.150 576 E HA -0.092 4.258 4.350 0.000 0.000 0.193 576 E C 1.855 178.335 176.600 -0.201 0.000 0.985 576 E CA 1.261 57.471 56.400 -0.318 0.000 0.814 576 E CB -0.385 29.054 29.700 -0.434 0.000 0.752 576 E HN 0.441 nan 8.360 nan 0.000 0.466 577 A N 1.543 124.242 122.820 -0.201 0.000 1.972 577 A HA -0.056 4.264 4.320 0.000 0.000 0.219 577 A C 2.386 179.954 177.584 -0.028 0.000 1.169 577 A CA 1.780 53.838 52.037 0.035 0.000 0.635 577 A CB -0.421 18.522 19.000 -0.095 0.000 0.810 577 A HN 0.257 nan 8.150 nan 0.000 0.446 578 A N -0.710 121.979 122.820 -0.218 0.000 2.014 578 A HA -0.057 4.263 4.320 0.000 0.000 0.218 578 A C 2.187 179.725 177.584 -0.077 0.000 1.163 578 A CA 1.218 53.173 52.037 -0.138 0.000 0.652 578 A CB -0.386 18.533 19.000 -0.135 0.000 0.808 578 A HN 0.521 nan 8.150 nan 0.000 0.449 579 R N -0.560 119.880 120.500 -0.100 0.000 2.075 579 R HA -0.078 4.262 4.340 0.000 0.000 0.232 579 R C 2.480 178.716 176.300 -0.106 0.000 1.126 579 R CA 1.159 57.200 56.100 -0.099 0.000 0.963 579 R CB -0.361 29.869 30.300 -0.117 0.000 0.858 579 R HN 0.504 nan 8.270 nan 0.000 0.435 580 A N 1.422 124.163 122.820 -0.132 0.000 1.908 580 A HA -0.239 4.081 4.320 0.000 0.000 0.218 580 A C 1.924 179.455 177.584 -0.089 0.000 1.181 580 A CA 1.756 53.673 52.037 -0.199 0.000 0.627 580 A CB -0.827 17.861 19.000 -0.520 0.000 0.818 580 A HN 0.452 nan 8.150 nan 0.000 0.445 581 N N 0.124 118.833 118.700 0.015 0.000 2.188 581 N HA -0.087 4.653 4.740 0.000 0.000 0.184 581 N C 1.835 177.323 175.510 -0.038 0.000 1.018 581 N CA 1.417 54.479 53.050 0.019 0.000 0.858 581 N CB -0.173 38.347 38.487 0.055 0.000 0.989 581 N HN 0.380 nan 8.380 nan 0.000 0.426 582 A N 0.771 123.562 122.820 -0.049 0.000 1.878 582 A HA 0.104 4.424 4.320 0.000 0.000 0.213 582 A C 2.114 179.656 177.584 -0.070 0.000 1.192 582 A CA 0.685 52.690 52.037 -0.054 0.000 0.619 582 A CB -0.027 18.944 19.000 -0.049 0.000 0.837 582 A HN 0.254 nan 8.150 nan 0.000 0.446 583 R N -2.039 118.412 120.500 -0.083 0.000 2.476 583 R HA 0.236 4.576 4.340 0.000 0.000 0.276 583 R C 0.961 177.199 176.300 -0.104 0.000 0.941 583 R CA 0.533 56.581 56.100 -0.087 0.000 1.088 583 R CB 0.546 30.797 30.300 -0.080 0.000 1.216 583 R HN 0.654 nan 8.270 nan 0.000 0.533 584 G N 1.696 110.420 108.800 -0.126 0.000 2.168 584 G HA2 -0.276 3.684 3.960 0.000 0.000 0.257 584 G HA3 -0.276 3.684 3.960 0.000 0.000 0.257 584 G C 0.128 174.935 174.900 -0.155 0.000 0.997 584 G CA 0.710 45.717 45.100 -0.154 0.000 0.708 584 G HN 0.259 nan 8.290 nan 0.000 0.520 585 T N 3.640 118.106 114.554 -0.147 0.000 2.752 585 T HA 0.460 4.811 4.350 0.000 0.000 0.295 585 T C -1.625 172.961 174.700 -0.189 0.000 0.923 585 T CA -0.465 61.550 62.100 -0.143 0.000 1.112 585 T CB 1.740 70.536 68.868 -0.121 0.000 0.884 585 T HN 0.270 nan 8.240 nan 0.000 0.525 586 P HA 0.121 nan 4.420 nan 0.000 0.269 586 P C 0.836 178.032 177.300 -0.174 0.000 1.209 586 P CA -0.217 62.753 63.100 -0.216 0.000 0.776 586 P CB 0.772 32.386 31.700 -0.143 0.000 0.876 587 M N 1.056 120.538 119.600 -0.196 0.000 2.132 587 M HA -0.052 4.428 4.480 0.000 0.000 0.263 587 M C 1.430 177.764 176.300 0.056 0.000 1.065 587 M CA 1.758 57.028 55.300 -0.049 0.000 1.122 587 M CB -0.089 32.544 32.600 0.055 0.000 1.365 587 M HN 0.376 nan 8.290 nan 0.000 0.411 588 M N 1.374 121.004 119.600 0.049 0.000 2.069 588 M HA 0.265 4.745 4.480 0.000 0.000 0.349 588 M C -1.059 175.240 176.300 -0.001 0.000 1.194 588 M CA -0.017 55.313 55.300 0.051 0.000 1.081 588 M CB 0.409 32.974 32.600 -0.057 0.000 1.500 588 M HN 0.010 nan 8.290 nan 0.000 0.438 589 R N 3.653 124.209 120.500 0.093 0.000 2.445 589 R HA 0.655 4.995 4.340 0.000 0.000 0.308 589 R C -0.282 176.065 176.300 0.079 0.000 0.961 589 R CA -0.721 55.403 56.100 0.040 0.000 0.862 589 R CB 1.689 32.010 30.300 0.034 0.000 1.144 589 R HN 0.819 nan 8.270 nan 0.000 0.447 590 A N 3.773 126.593 122.820 0.001 0.000 2.531 590 A HA -0.010 4.310 4.320 0.000 0.000 0.236 590 A C 1.434 179.048 177.584 0.050 0.000 1.062 590 A CA -0.080 51.963 52.037 0.009 0.000 0.760 590 A CB 0.163 19.113 19.000 -0.083 0.000 0.995 590 A HN 0.809 nan 8.150 nan 0.000 0.501 591 M N 1.920 121.579 119.600 0.097 0.000 2.144 591 M HA -0.254 4.226 4.480 0.000 0.000 0.260 591 M C 1.980 178.367 176.300 0.146 0.000 1.067 591 M CA 2.521 57.922 55.300 0.168 0.000 1.095 591 M CB -1.416 31.259 32.600 0.126 0.000 1.365 591 M HN 1.005 nan 8.290 nan 0.000 0.406 592 M N -1.226 118.370 119.600 -0.006 0.000 2.296 592 M HA -0.069 4.411 4.480 0.000 0.000 0.265 592 M C 2.091 178.323 176.300 -0.113 0.000 1.064 592 M CA 1.658 56.910 55.300 -0.081 0.000 1.109 592 M CB -0.904 31.545 32.600 -0.251 0.000 1.396 592 M HN 0.243 nan 8.290 nan 0.000 0.430 593 M N 0.023 119.539 119.600 -0.140 0.000 2.156 593 M HA -0.116 4.364 4.480 0.000 0.000 0.264 593 M C 1.980 178.210 176.300 -0.117 0.000 1.067 593 M CA 2.013 57.227 55.300 -0.143 0.000 1.131 593 M CB -0.076 32.438 32.600 -0.144 0.000 1.368 593 M HN 0.424 nan 8.290 nan 0.000 0.416 594 E N 0.241 120.386 120.200 -0.092 0.000 2.158 594 E HA -0.047 4.303 4.350 0.000 0.000 0.191 594 E C -0.248 176.022 176.600 -0.549 0.000 0.982 594 E CA 1.160 57.386 56.400 -0.289 0.000 0.823 594 E CB 0.075 29.628 29.700 -0.245 0.000 0.766 594 E HN 0.557 nan 8.360 nan 0.000 0.468 595 F N 0.613 120.577 119.950 0.022 0.000 2.530 595 F HA 0.325 4.852 4.527 0.000 0.000 0.318 595 F C -1.781 174.023 175.800 0.006 0.000 1.356 595 F CA -1.824 56.200 58.000 0.040 0.000 1.135 595 F CB 1.597 40.654 39.000 0.095 0.000 1.315 595 F HN 0.009 nan 8.300 nan 0.000 0.549 596 P HA -0.064 nan 4.420 nan 0.000 0.237 596 P C 0.426 177.749 177.300 0.038 0.000 1.178 596 P CA 1.089 64.199 63.100 0.016 0.000 0.766 596 P CB 0.462 32.141 31.700 -0.035 0.000 0.876 597 D N -0.711 119.736 120.400 0.078 0.000 2.349 597 D HA 0.012 4.652 4.640 0.000 0.000 0.214 597 D C 0.156 176.506 176.300 0.083 0.000 1.063 597 D CA 0.505 54.547 54.000 0.070 0.000 0.847 597 D CB -0.106 40.739 40.800 0.074 0.000 0.933 597 D HN 0.115 nan 8.370 nan 0.000 0.513 598 D N 1.007 121.472 120.400 0.109 0.000 2.396 598 D HA 0.095 4.735 4.640 0.000 0.000 0.225 598 D C -1.486 174.829 176.300 0.025 0.000 1.121 598 D CA -2.109 51.946 54.000 0.091 0.000 0.853 598 D CB 1.876 42.766 40.800 0.150 0.000 1.043 598 D HN -0.082 nan 8.370 nan 0.000 0.500 599 P HA -0.112 nan 4.420 nan 0.000 0.221 599 P C 0.918 178.190 177.300 -0.048 0.000 1.145 599 P CA 0.548 63.645 63.100 -0.006 0.000 0.795 599 P CB 0.217 31.923 31.700 0.010 0.000 0.775 600 A N -0.814 121.908 122.820 -0.163 0.000 2.168 600 A HA -0.069 4.251 4.320 0.000 0.000 0.215 600 A C 2.077 179.455 177.584 -0.343 0.000 1.152 600 A CA 0.959 52.774 52.037 -0.369 0.000 0.716 600 A CB -1.385 17.033 19.000 -0.971 0.000 0.794 600 A HN 0.275 nan 8.150 nan 0.000 0.465 601 C N -0.510 118.689 119.300 -0.168 0.000 2.697 601 C HA 0.092 4.553 4.460 0.000 0.000 0.267 601 C C 1.766 176.743 174.990 -0.022 0.000 1.278 601 C CA -0.177 58.802 59.018 -0.066 0.000 1.708 601 C CB -0.817 26.940 27.740 0.028 0.000 1.860 601 C HN 0.544 nan 8.230 nan 0.000 0.589 602 D N 1.016 121.390 120.400 -0.043 0.000 2.133 602 D HA -0.141 4.499 4.640 0.000 0.000 0.195 602 D C 1.244 177.386 176.300 -0.262 0.000 0.997 602 D CA 1.784 55.684 54.000 -0.166 0.000 0.840 602 D CB -0.102 40.510 40.800 -0.313 0.000 0.947 602 D HN 0.580 nan 8.370 nan 0.000 0.452 603 Y N -0.203 120.147 120.300 0.084 0.000 2.444 603 Y HA 0.270 4.820 4.550 0.000 0.000 0.249 603 Y C 0.622 176.571 175.900 0.081 0.000 1.134 603 Y CA -0.339 57.805 58.100 0.073 0.000 1.261 603 Y CB 0.162 38.644 38.460 0.038 0.000 1.143 603 Y HN -0.197 nan 8.280 nan 0.000 0.523 604 L N 2.978 124.306 121.223 0.175 0.000 2.584 604 L HA -0.025 4.315 4.340 0.000 0.000 0.272 604 L C 0.352 177.292 176.870 0.117 0.000 1.195 604 L CA 0.512 55.436 54.840 0.140 0.000 0.920 604 L CB 0.292 42.386 42.059 0.059 0.000 1.173 604 L HN 0.322 nan 8.230 nan 0.000 0.489 605 D N 1.279 121.746 120.400 0.111 0.000 2.525 605 D HA 0.011 4.651 4.640 0.000 0.000 0.231 605 D C 1.149 177.482 176.300 0.055 0.000 1.216 605 D CA -0.184 53.857 54.000 0.069 0.000 0.813 605 D CB 0.278 41.104 40.800 0.042 0.000 1.108 605 D HN 0.406 nan 8.370 nan 0.000 0.524 606 R N 0.382 120.933 120.500 0.086 0.000 2.432 606 R HA 0.223 4.563 4.340 0.000 0.000 0.260 606 R C 0.396 176.818 176.300 0.203 0.000 0.935 606 R CA 0.059 56.236 56.100 0.129 0.000 1.080 606 R CB 0.569 30.922 30.300 0.087 0.000 1.155 606 R HN 0.396 nan 8.270 nan 0.000 0.531 607 Q N -0.074 119.815 119.800 0.149 0.000 2.565 607 Q HA 0.439 4.779 4.340 0.000 0.000 0.294 607 Q C -1.419 174.688 176.000 0.179 0.000 1.005 607 Q CA -1.189 54.655 55.803 0.069 0.000 0.771 607 Q CB 1.755 30.476 28.738 -0.029 0.000 1.486 607 Q HN 0.066 nan 8.270 nan 0.000 0.422 608 Y N -1.990 118.310 120.300 -0.001 0.000 2.689 608 Y HA 0.645 5.195 4.550 0.000 0.000 0.333 608 Y C -1.496 174.452 175.900 0.079 0.000 1.208 608 Y CA -1.595 56.529 58.100 0.041 0.000 1.055 608 Y CB 1.323 39.813 38.460 0.050 0.000 1.304 608 Y HN 0.511 nan 8.280 nan 0.000 0.455 609 M N 3.236 123.021 119.600 0.309 0.000 2.157 609 M HA 0.329 4.809 4.480 0.000 0.000 0.354 609 M C -1.164 175.354 176.300 0.363 0.000 1.170 609 M CA -0.639 54.824 55.300 0.271 0.000 1.060 609 M CB 1.270 34.026 32.600 0.261 0.000 1.615 609 M HN 0.751 nan 8.290 nan 0.000 0.460 610 L N 4.243 125.666 121.223 0.334 0.000 2.270 610 L HA 0.624 4.964 4.340 0.000 0.000 0.286 610 L C 0.564 177.607 176.870 0.288 0.000 1.059 610 L CA 0.746 55.810 54.840 0.374 0.000 0.839 610 L CB -0.040 42.261 42.059 0.404 0.000 1.221 610 L HN 0.964 nan 8.230 nan 0.000 0.431 611 G N 4.066 112.957 108.800 0.151 0.000 2.752 611 G HA2 -0.311 3.649 3.960 0.000 0.000 0.234 611 G HA3 -0.311 3.649 3.960 0.000 0.000 0.234 611 G C 0.398 175.381 174.900 0.139 0.000 1.367 611 G CA 0.058 45.182 45.100 0.041 0.000 0.879 611 G HN 0.592 nan 8.290 nan 0.000 0.563 612 D N 0.373 120.835 120.400 0.103 0.000 2.149 612 D HA -0.065 4.575 4.640 0.000 0.000 0.198 612 D C 2.073 178.447 176.300 0.124 0.000 0.990 612 D CA 1.789 55.835 54.000 0.077 0.000 0.839 612 D CB 0.021 40.852 40.800 0.053 0.000 0.948 612 D HN 0.391 nan 8.370 nan 0.000 0.460 613 N N -0.689 118.145 118.700 0.222 0.000 2.181 613 N HA 0.050 4.790 4.740 0.000 0.000 0.207 613 N C -0.311 175.224 175.510 0.041 0.000 1.182 613 N CA -0.011 53.079 53.050 0.066 0.000 0.893 613 N CB 2.176 40.634 38.487 -0.048 0.000 1.032 613 N HN 0.033 nan 8.380 nan 0.000 0.513 614 V N 2.073 122.076 119.914 0.148 0.000 2.487 614 V HA 0.464 4.584 4.120 0.000 0.000 0.298 614 V C -0.755 175.436 176.094 0.162 0.000 1.028 614 V CA -0.737 61.625 62.300 0.103 0.000 0.860 614 V CB 2.017 33.819 31.823 -0.035 0.000 0.991 614 V HN -0.037 nan 8.190 nan 0.000 0.427 615 M N 7.688 127.384 119.600 0.160 0.000 2.108 615 M HA 0.464 4.944 4.480 0.000 0.000 0.354 615 M C -1.056 175.096 176.300 -0.246 0.000 1.229 615 M CA -0.062 55.209 55.300 -0.049 0.000 1.081 615 M CB 1.091 33.560 32.600 -0.218 0.000 1.606 615 M HN 0.730 nan 8.290 nan 0.000 0.467 616 V N 5.312 124.949 119.914 -0.462 0.000 2.459 616 V HA 0.896 5.016 4.120 0.000 0.000 0.295 616 V C -0.955 174.743 176.094 -0.661 0.000 1.029 616 V CA -0.407 61.536 62.300 -0.594 0.000 0.874 616 V CB 1.534 33.039 31.823 -0.531 0.000 0.985 616 V HN 0.953 nan 8.190 nan 0.000 0.438 617 A N 7.740 130.264 122.820 -0.493 0.000 2.431 617 A HA 0.857 5.177 4.320 0.000 0.000 0.318 617 A C -2.782 174.616 177.584 -0.311 0.000 1.330 617 A CA -1.751 50.078 52.037 -0.347 0.000 0.804 617 A CB 0.747 19.530 19.000 -0.360 0.000 1.135 617 A HN 0.754 nan 8.150 nan 0.000 0.483 618 P HA 0.193 nan 4.420 nan 0.000 0.269 618 P C -0.291 176.694 177.300 -0.524 0.000 1.215 618 P CA -0.026 62.779 63.100 -0.490 0.000 0.780 618 P CB 0.748 31.946 31.700 -0.837 0.000 0.898 619 V N 3.282 122.944 119.914 -0.420 0.000 2.383 619 V HA 0.195 4.316 4.120 0.000 0.000 0.275 619 V C 0.345 176.224 176.094 -0.359 0.000 1.036 619 V CA 0.225 62.375 62.300 -0.250 0.000 0.889 619 V CB 0.009 31.774 31.823 -0.097 0.000 0.985 619 V HN 0.440 nan 8.190 nan 0.000 0.459 620 F N 2.597 122.438 119.950 -0.182 0.000 2.750 620 F HA 0.262 4.789 4.527 0.000 0.000 0.297 620 F C 1.108 176.376 175.800 -0.885 0.000 1.138 620 F CA -0.255 57.514 58.000 -0.386 0.000 1.346 620 F CB 0.572 39.470 39.000 -0.169 0.000 0.965 620 F HN 0.574 nan 8.300 nan 0.000 0.514 621 T N -4.640 109.600 114.554 -0.523 0.000 2.906 621 T HA 0.292 4.642 4.350 0.000 0.000 0.295 621 T C 0.773 175.389 174.700 -0.140 0.000 1.075 621 T CA -0.688 61.153 62.100 -0.433 0.000 1.005 621 T CB 2.398 71.189 68.868 -0.130 0.000 1.136 621 T HN 0.166 nan 8.240 nan 0.000 0.498 622 E N 0.930 121.164 120.200 0.056 0.000 2.028 622 E HA -0.084 4.266 4.350 0.000 0.000 0.191 622 E C 2.236 178.856 176.600 0.032 0.000 0.988 622 E CA 1.278 57.752 56.400 0.122 0.000 0.799 622 E CB -0.472 29.063 29.700 -0.274 0.000 0.755 622 E HN 0.793 nan 8.360 nan 0.000 0.447 623 A N -0.143 122.665 122.820 -0.020 0.000 2.015 623 A HA 0.070 4.390 4.320 0.000 0.000 0.219 623 A C 1.902 179.439 177.584 -0.078 0.000 1.163 623 A CA 1.499 53.511 52.037 -0.041 0.000 0.646 623 A CB -0.514 18.476 19.000 -0.016 0.000 0.806 623 A HN 0.589 nan 8.150 nan 0.000 0.448 624 G N -0.633 108.130 108.800 -0.062 0.000 2.163 624 G HA2 -0.164 3.796 3.960 0.000 0.000 0.213 624 G HA3 -0.164 3.796 3.960 0.000 0.000 0.213 624 G C -0.456 174.465 174.900 0.035 0.000 0.991 624 G CA 0.041 45.112 45.100 -0.048 0.000 0.653 624 G HN 0.568 nan 8.290 nan 0.000 0.518 625 D N 0.148 120.567 120.400 0.031 0.000 2.455 625 D HA 0.392 5.032 4.640 0.000 0.000 0.241 625 D C -0.000 176.361 176.300 0.103 0.000 1.138 625 D CA 0.602 54.644 54.000 0.070 0.000 0.877 625 D CB 2.566 43.392 40.800 0.043 0.000 1.187 625 D HN 0.428 nan 8.370 nan 0.000 0.451 626 V N 1.600 121.616 119.914 0.171 0.000 2.891 626 V HA 0.173 4.293 4.120 0.000 0.000 0.304 626 V C -1.625 174.658 176.094 0.314 0.000 1.171 626 V CA -0.586 61.847 62.300 0.223 0.000 0.943 626 V CB 2.307 34.240 31.823 0.185 0.000 1.037 626 V HN 0.496 nan 8.190 nan 0.000 0.427 627 Q N 5.108 125.106 119.800 0.331 0.000 2.342 627 Q HA 0.804 5.144 4.340 0.000 0.000 0.267 627 Q C -1.514 174.815 176.000 0.549 0.000 1.038 627 Q CA -0.539 55.482 55.803 0.363 0.000 0.832 627 Q CB 2.743 31.642 28.738 0.269 0.000 1.323 627 Q HN 0.739 nan 8.270 nan 0.000 0.448 628 F N -1.013 119.115 119.950 0.297 0.000 2.678 628 F HA 0.510 5.037 4.527 0.000 0.000 0.308 628 F C -1.923 173.628 175.800 -0.416 0.000 1.118 628 F CA -1.349 56.597 58.000 -0.090 0.000 0.959 628 F CB 0.844 39.766 39.000 -0.130 0.000 1.305 628 F HN 0.487 nan 8.300 nan 0.000 0.443 629 Y N 2.987 122.637 120.300 -1.083 0.000 2.361 629 Y HA 0.782 5.332 4.550 0.000 0.000 0.332 629 Y C -1.786 173.709 175.900 -0.675 0.000 1.101 629 Y CA -1.339 56.020 58.100 -1.234 0.000 1.137 629 Y CB 1.527 38.916 38.460 -1.786 0.000 1.207 629 Y HN 0.759 nan 8.280 nan 0.000 0.463 630 L N 8.510 128.766 121.223 -1.611 0.000 2.349 630 L HA 0.569 4.909 4.340 0.000 0.000 0.278 630 L C -2.371 173.585 176.870 -1.523 0.000 0.996 630 L CA -2.785 51.208 54.840 -1.413 0.000 0.825 630 L CB 1.507 42.910 42.059 -1.094 0.000 1.243 630 L HN 0.600 nan 8.230 nan 0.000 0.412 631 P HA 0.018 nan 4.420 nan 0.000 0.271 631 P C -0.549 176.719 177.300 -0.054 0.000 1.244 631 P CA -0.433 62.380 63.100 -0.478 0.000 0.793 631 P CB 0.407 31.552 31.700 -0.926 0.000 0.984 632 E N 0.529 120.751 120.200 0.037 0.000 2.653 632 E HA 0.188 4.538 4.350 0.000 0.000 0.264 632 E C 0.261 176.953 176.600 0.154 0.000 0.949 632 E CA 0.774 57.236 56.400 0.103 0.000 0.953 632 E CB -0.506 29.256 29.700 0.104 0.000 0.925 632 E HN 0.680 nan 8.360 nan 0.000 0.475 633 G N 2.821 111.687 108.800 0.110 0.000 2.381 633 G HA2 -0.113 3.847 3.960 0.000 0.000 0.672 633 G HA3 -0.113 3.847 3.960 0.000 0.000 0.672 633 G C -1.212 173.734 174.900 0.077 0.000 1.324 633 G CA -0.420 44.686 45.100 0.010 0.000 0.975 633 G HN 0.679 nan 8.290 nan 0.000 0.593 634 R N -0.280 120.205 120.500 -0.026 0.000 2.246 634 R HA 0.608 4.948 4.340 0.000 0.000 0.332 634 R C -0.788 175.538 176.300 0.043 0.000 0.974 634 R CA -0.676 55.467 56.100 0.072 0.000 0.837 634 R CB 0.538 30.865 30.300 0.046 0.000 1.145 634 R HN 0.492 nan 8.270 nan 0.000 0.467 635 W N 2.124 123.412 121.300 -0.020 0.000 2.436 635 W HA 0.438 5.098 4.660 -0.000 0.000 0.347 635 W C -0.193 176.423 176.519 0.162 0.000 1.136 635 W CA -0.317 57.043 57.345 0.025 0.000 1.286 635 W CB 2.030 31.460 29.460 -0.051 0.000 1.253 635 W HN 0.332 nan 8.180 nan 0.000 0.617 636 T N 1.522 116.336 114.554 0.433 0.000 2.881 636 T HA 0.104 4.454 4.350 0.000 0.000 0.290 636 T C -0.698 174.126 174.700 0.207 0.000 1.000 636 T CA -0.663 61.668 62.100 0.385 0.000 0.978 636 T CB 0.922 70.060 68.868 0.450 0.000 0.997 636 T HN 0.287 nan 8.240 nan 0.000 0.443 637 H N 2.966 121.998 119.070 -0.062 0.000 2.928 637 H HA 0.049 4.605 4.556 0.000 0.000 0.338 637 H C 0.826 175.969 175.328 -0.307 0.000 1.047 637 H CA -0.236 55.462 56.048 -0.583 0.000 1.435 637 H CB 0.865 30.218 29.762 -0.682 0.000 1.428 637 H HN 0.456 nan 8.280 nan 0.000 0.590 638 L N 6.028 126.794 121.223 -0.761 0.000 2.079 638 L HA -0.172 4.168 4.340 0.000 0.000 0.210 638 L C 1.642 178.585 176.870 0.121 0.000 1.081 638 L CA 2.074 56.774 54.840 -0.234 0.000 0.752 638 L CB -0.520 41.433 42.059 -0.176 0.000 0.896 638 L HN 0.845 nan 8.230 nan 0.000 0.433 639 W N -4.972 116.392 121.300 0.106 0.000 2.977 639 W HA 0.249 4.909 4.660 0.000 0.000 0.236 639 W C 1.860 178.464 176.519 0.141 0.000 1.053 639 W CA -0.023 57.379 57.345 0.096 0.000 1.375 639 W CB -0.707 28.775 29.460 0.037 0.000 0.814 639 W HN -0.082 nan 8.180 nan 0.000 0.713 640 H N 1.329 120.350 119.070 -0.083 0.000 2.495 640 H HA -0.020 4.536 4.556 0.000 0.000 0.287 640 H C 0.863 176.180 175.328 -0.018 0.000 1.033 640 H CA 1.292 57.221 56.048 -0.199 0.000 1.307 640 H CB -0.486 28.867 29.762 -0.680 0.000 1.401 640 H HN 0.254 nan 8.280 nan 0.000 0.555 641 N N 0.936 119.743 118.700 0.179 0.000 2.857 641 N HA -0.182 4.558 4.740 0.000 0.000 0.242 641 N C -0.555 175.059 175.510 0.173 0.000 0.983 641 N CA 1.050 54.213 53.050 0.188 0.000 0.934 641 N CB -0.965 37.620 38.487 0.164 0.000 1.115 641 N HN 0.707 nan 8.380 nan 0.000 0.593 642 D N 0.113 120.607 120.400 0.157 0.000 2.399 642 D HA 0.053 4.693 4.640 0.000 0.000 0.241 642 D C -0.195 176.266 176.300 0.268 0.000 1.133 642 D CA 0.430 54.528 54.000 0.163 0.000 0.890 642 D CB 0.807 41.673 40.800 0.110 0.000 1.201 642 D HN 0.323 nan 8.370 nan 0.000 0.432 643 E N 0.641 120.964 120.200 0.204 0.000 2.207 643 E HA 0.579 4.929 4.350 0.000 0.000 0.270 643 E C -0.677 175.987 176.600 0.107 0.000 0.927 643 E CA -0.897 55.626 56.400 0.206 0.000 0.799 643 E CB 2.236 32.027 29.700 0.151 0.000 1.172 643 E HN 0.380 nan 8.360 nan 0.000 0.404 644 L N 1.795 123.043 121.223 0.042 0.000 2.422 644 L HA 0.385 4.725 4.340 0.000 0.000 0.264 644 L C -0.800 176.067 176.870 -0.005 0.000 0.984 644 L CA -1.082 53.674 54.840 -0.140 0.000 0.819 644 L CB 2.054 43.732 42.059 -0.636 0.000 1.330 644 L HN 0.401 nan 8.230 nan 0.000 0.410 645 D N 1.479 121.907 120.400 0.046 0.000 2.302 645 D HA 0.353 4.993 4.640 0.000 0.000 0.248 645 D C 0.231 176.602 176.300 0.120 0.000 1.094 645 D CA 0.127 54.185 54.000 0.097 0.000 0.897 645 D CB 2.149 42.995 40.800 0.076 0.000 1.200 645 D HN 0.668 nan 8.370 nan 0.000 0.429 646 G N -0.648 108.218 108.800 0.111 0.000 2.641 646 G HA2 0.309 4.269 3.960 0.000 0.000 0.239 646 G HA3 0.309 4.269 3.960 0.000 0.000 0.239 646 G C 0.095 174.944 174.900 -0.084 0.000 1.402 646 G CA -0.447 44.639 45.100 -0.022 0.000 1.046 646 G HN 0.442 nan 8.290 nan 0.000 0.565 647 S N -1.354 114.245 115.700 -0.167 0.000 3.587 647 S HA -0.175 4.295 4.470 0.000 0.000 0.337 647 S C 0.381 175.001 174.600 0.033 0.000 1.119 647 S CA 1.763 59.951 58.200 -0.021 0.000 0.976 647 S CB -1.298 61.935 63.200 0.054 0.000 0.922 647 S HN 1.103 nan 8.310 nan 0.000 0.503 648 R N -2.062 118.311 120.500 -0.211 0.000 2.728 648 R HA 0.555 4.895 4.340 0.000 0.000 0.274 648 R C -1.509 174.579 176.300 -0.354 0.000 1.030 648 R CA -1.152 54.887 56.100 -0.101 0.000 0.876 648 R CB 0.310 30.490 30.300 -0.200 0.000 1.259 648 R HN 0.120 nan 8.270 nan 0.000 0.468 649 W N 0.889 122.010 121.300 -0.298 0.000 2.303 649 W HA 0.462 5.122 4.660 0.000 0.000 0.334 649 W C 0.384 176.410 176.519 -0.822 0.000 1.197 649 W CA 0.413 57.516 57.345 -0.403 0.000 1.262 649 W CB 0.914 30.259 29.460 -0.192 0.000 1.153 649 W HN 0.314 nan 8.180 nan 0.000 0.596 650 H N 1.197 120.019 119.070 -0.412 0.000 2.865 650 H HA 0.409 4.965 4.556 0.000 0.000 0.372 650 H C -1.156 173.939 175.328 -0.388 0.000 1.173 650 H CA -1.170 54.567 56.048 -0.519 0.000 1.147 650 H CB 2.559 31.778 29.762 -0.905 0.000 1.805 650 H HN 0.246 nan 8.280 nan 0.000 0.553 651 K N 1.649 122.029 120.400 -0.035 0.000 2.443 651 K HA 0.379 4.699 4.320 0.000 0.000 0.252 651 K C -1.194 175.490 176.600 0.139 0.000 0.933 651 K CA -0.387 55.939 56.287 0.065 0.000 0.792 651 K CB 1.993 34.512 32.500 0.032 0.000 1.185 651 K HN 0.624 nan 8.250 nan 0.000 0.425 652 Q N 1.410 121.355 119.800 0.241 0.000 2.615 652 Q HA 0.282 4.622 4.340 0.000 0.000 0.298 652 Q C -1.693 174.433 176.000 0.209 0.000 1.023 652 Q CA -1.042 54.909 55.803 0.247 0.000 0.768 652 Q CB 2.785 31.807 28.738 0.474 0.000 1.500 652 Q HN 0.489 nan 8.270 nan 0.000 0.441 653 Q N 1.031 120.884 119.800 0.089 0.000 2.337 653 Q HA 0.355 4.695 4.340 0.000 0.000 0.270 653 Q C -1.718 174.243 176.000 -0.065 0.000 1.043 653 Q CA -0.335 55.506 55.803 0.062 0.000 0.794 653 Q CB 1.501 30.233 28.738 -0.009 0.000 1.281 653 Q HN 0.693 nan 8.270 nan 0.000 0.446 654 H N 1.642 120.694 119.070 -0.030 0.000 2.667 654 H HA 0.329 4.885 4.556 0.000 0.000 0.353 654 H C 0.043 175.298 175.328 -0.122 0.000 1.072 654 H CA -0.574 55.453 56.048 -0.034 0.000 1.214 654 H CB 2.024 31.808 29.762 0.036 0.000 1.600 654 H HN 0.861 nan 8.280 nan 0.000 0.527 655 G N 0.739 109.518 108.800 -0.036 0.000 2.683 655 G HA2 0.019 3.979 3.960 0.000 0.000 0.260 655 G HA3 0.019 3.979 3.960 0.000 0.000 0.260 655 G C 0.280 175.143 174.900 -0.063 0.000 1.238 655 G CA -0.340 44.667 45.100 -0.154 0.000 0.934 655 G HN 0.522 nan 8.290 nan 0.000 0.534 656 F N -1.156 118.907 119.950 0.188 0.000 2.771 656 F HA 0.109 4.636 4.527 0.000 0.000 0.299 656 F C 1.877 177.840 175.800 0.272 0.000 1.177 656 F CA 0.076 58.214 58.000 0.229 0.000 1.450 656 F CB 0.079 39.209 39.000 0.217 0.000 1.114 656 F HN 0.041 nan 8.300 nan 0.000 0.587 657 L N -1.127 120.264 121.223 0.281 0.000 2.741 657 L HA 0.263 4.603 4.340 0.000 0.000 0.237 657 L C 0.418 177.368 176.870 0.134 0.000 1.178 657 L CA -0.067 54.778 54.840 0.008 0.000 0.973 657 L CB -0.686 41.187 42.059 -0.311 0.000 1.255 657 L HN -0.021 nan 8.230 nan 0.000 0.498 658 S N -0.041 115.965 115.700 0.508 0.000 2.579 658 S HA 0.889 5.359 4.470 0.000 0.000 0.272 658 S C -1.328 173.584 174.600 0.520 0.000 1.141 658 S CA -0.569 58.054 58.200 0.706 0.000 0.843 658 S CB 1.318 64.930 63.200 0.685 0.000 1.122 658 S HN 0.132 nan 8.310 nan 0.000 0.468 659 L N -0.374 121.042 121.223 0.321 0.000 2.794 659 L HA 0.706 5.046 4.340 0.000 0.000 0.261 659 L C -3.182 173.416 176.870 -0.454 0.000 0.989 659 L CA -2.220 52.426 54.840 -0.322 0.000 0.900 659 L CB 1.528 43.523 42.059 -0.107 0.000 1.473 659 L HN 0.359 nan 8.230 nan 0.000 0.414 660 P HA 0.168 nan 4.420 nan 0.000 0.261 660 P C -0.943 176.081 177.300 -0.460 0.000 1.203 660 P CA 0.186 62.998 63.100 -0.480 0.000 0.767 660 P CB 0.706 31.828 31.700 -0.963 0.000 0.785 661 V N 5.826 125.339 119.914 -0.668 0.000 2.516 661 V HA 0.255 4.375 4.120 0.000 0.000 0.271 661 V C -0.857 174.706 176.094 -0.884 0.000 0.992 661 V CA -0.505 61.403 62.300 -0.654 0.000 0.857 661 V CB 0.141 31.634 31.823 -0.550 0.000 1.047 661 V HN 0.378 nan 8.190 nan 0.000 0.455 662 Y N 2.207 122.290 120.300 -0.362 0.000 2.387 662 Y HA 0.671 5.221 4.550 0.000 0.000 0.336 662 Y C 0.219 176.156 175.900 0.062 0.000 1.067 662 Y CA -0.789 57.224 58.100 -0.144 0.000 1.114 662 Y CB 2.220 40.631 38.460 -0.081 0.000 1.208 662 Y HN 0.358 nan 8.280 nan 0.000 0.458 663 V N 4.670 124.626 119.914 0.069 0.000 2.394 663 V HA 0.447 4.567 4.120 0.000 0.000 0.282 663 V C -0.134 175.766 176.094 -0.322 0.000 1.031 663 V CA -1.400 60.732 62.300 -0.280 0.000 0.881 663 V CB 1.022 32.191 31.823 -1.090 0.000 0.982 663 V HN 0.721 nan 8.190 nan 0.000 0.451 664 R N 2.385 122.483 120.500 -0.669 0.000 2.861 664 R HA 0.214 4.554 4.340 0.000 0.000 0.268 664 R C -0.104 175.844 176.300 -0.586 0.000 1.027 664 R CA -0.545 54.859 56.100 -1.161 0.000 1.163 664 R CB 0.037 29.799 30.300 -0.896 0.000 1.060 664 R HN 0.833 nan 8.270 nan 0.000 0.483 665 D N 0.311 120.396 120.400 -0.525 0.000 2.393 665 D HA -0.044 4.596 4.640 0.000 0.000 0.246 665 D C -0.085 176.126 176.300 -0.149 0.000 1.275 665 D CA -0.615 53.244 54.000 -0.234 0.000 0.979 665 D CB 0.076 40.752 40.800 -0.207 0.000 1.101 665 D HN 0.560 nan 8.370 nan 0.000 0.505 666 N N -1.616 117.043 118.700 -0.068 0.000 2.727 666 N HA -0.153 4.587 4.740 0.000 0.000 0.249 666 N C -0.929 174.590 175.510 0.015 0.000 1.048 666 N CA 0.991 54.027 53.050 -0.024 0.000 0.714 666 N CB -1.577 36.888 38.487 -0.037 0.000 0.959 666 N HN 0.518 nan 8.380 nan 0.000 0.544 667 T N 0.787 115.378 114.554 0.062 0.000 2.841 667 T HA 0.575 4.925 4.350 0.000 0.000 0.283 667 T C -0.192 174.642 174.700 0.223 0.000 1.000 667 T CA -0.569 61.585 62.100 0.090 0.000 0.977 667 T CB 2.362 71.218 68.868 -0.021 0.000 0.979 667 T HN 0.143 nan 8.240 nan 0.000 0.446 668 L N 4.285 125.617 121.223 0.183 0.000 2.343 668 L HA 0.703 5.043 4.340 0.000 0.000 0.278 668 L C -1.692 175.346 176.870 0.280 0.000 0.996 668 L CA -0.860 54.119 54.840 0.231 0.000 0.831 668 L CB 1.180 43.319 42.059 0.133 0.000 1.232 668 L HN 0.467 nan 8.230 nan 0.000 0.413 669 L N 5.023 126.468 121.223 0.369 0.000 2.325 669 L HA 0.797 5.137 4.340 0.000 0.000 0.281 669 L C -0.213 176.834 176.870 0.295 0.000 1.004 669 L CA -0.478 54.531 54.840 0.282 0.000 0.823 669 L CB 1.584 43.818 42.059 0.291 0.000 1.236 669 L HN 0.733 nan 8.230 nan 0.000 0.415 670 A N 5.647 128.578 122.820 0.185 0.000 2.343 670 A HA 0.593 4.912 4.320 0.000 0.000 0.305 670 A C -0.721 176.852 177.584 -0.019 0.000 1.308 670 A CA -0.369 51.624 52.037 -0.074 0.000 0.949 670 A CB -0.320 18.614 19.000 -0.110 0.000 1.148 670 A HN 0.537 nan 8.150 nan 0.000 0.545 671 L N 2.225 123.453 121.223 0.009 0.000 2.360 671 L HA 0.682 5.022 4.340 0.000 0.000 0.271 671 L C 1.057 177.960 176.870 0.054 0.000 1.057 671 L CA 0.040 54.912 54.840 0.053 0.000 0.803 671 L CB 1.301 43.418 42.059 0.096 0.000 1.207 671 L HN 0.717 nan 8.230 nan 0.000 0.445 672 G N 0.378 109.270 108.800 0.153 0.000 2.491 672 G HA2 0.360 4.320 3.960 0.000 0.000 0.327 672 G HA3 0.360 4.320 3.960 0.000 0.000 0.327 672 G C 0.398 175.388 174.900 0.149 0.000 1.189 672 G CA -0.366 44.906 45.100 0.286 0.000 0.956 672 G HN 0.718 nan 8.290 nan 0.000 0.491 673 N N -0.638 118.111 118.700 0.081 0.000 2.236 673 N HA -0.002 4.738 4.740 0.000 0.000 0.196 673 N C -0.135 175.244 175.510 -0.218 0.000 1.114 673 N CA -0.315 52.703 53.050 -0.052 0.000 0.859 673 N CB 0.337 38.810 38.487 -0.024 0.000 0.982 673 N HN 0.297 nan 8.380 nan 0.000 0.493 674 N N 1.530 119.926 118.700 -0.506 0.000 2.424 674 N HA 0.062 4.802 4.740 0.000 0.000 0.271 674 N C -0.864 174.458 175.510 -0.313 0.000 0.985 674 N CA -0.186 52.485 53.050 -0.632 0.000 0.921 674 N CB 1.263 38.941 38.487 -1.348 0.000 1.149 674 N HN 0.208 nan 8.380 nan 0.000 0.492 675 D N 2.084 122.392 120.400 -0.153 0.000 2.501 675 D HA 0.076 4.716 4.640 0.000 0.000 0.226 675 D C 0.149 176.450 176.300 0.001 0.000 1.198 675 D CA 0.206 54.172 54.000 -0.056 0.000 0.830 675 D CB 0.490 41.247 40.800 -0.072 0.000 1.014 675 D HN 0.350 nan 8.370 nan 0.000 0.496 676 Q N 0.338 120.145 119.800 0.012 0.000 2.280 676 Q HA 0.180 4.520 4.340 0.000 0.000 0.244 676 Q C 0.413 176.581 176.000 0.280 0.000 0.847 676 Q CA 0.292 56.153 55.803 0.096 0.000 0.945 676 Q CB 1.719 30.474 28.738 0.028 0.000 1.115 676 Q HN 0.518 nan 8.270 nan 0.000 0.513 677 R N -0.514 120.114 120.500 0.212 0.000 2.663 677 R HA 0.334 4.674 4.340 0.000 0.000 0.267 677 R C -2.693 173.735 176.300 0.212 0.000 1.038 677 R CA -1.070 55.157 56.100 0.211 0.000 0.886 677 R CB 1.379 31.815 30.300 0.227 0.000 1.249 677 R HN -0.304 nan 8.270 nan 0.000 0.463 678 P HA 0.008 nan 4.420 nan 0.000 0.228 678 P C -0.723 176.774 177.300 0.328 0.000 1.166 678 P CA 0.724 63.961 63.100 0.227 0.000 0.812 678 P CB 0.091 31.848 31.700 0.094 0.000 0.857 679 D N 1.224 121.764 120.400 0.233 0.000 2.411 679 D HA 0.223 4.863 4.640 0.000 0.000 0.225 679 D C -0.010 176.271 176.300 -0.031 0.000 1.156 679 D CA -0.768 53.258 54.000 0.043 0.000 0.874 679 D CB -0.310 40.531 40.800 0.068 0.000 1.034 679 D HN 0.299 nan 8.370 nan 0.000 0.502 680 Y N -1.528 118.471 120.300 -0.502 0.000 2.744 680 Y HA 0.451 5.001 4.550 0.000 0.000 0.330 680 Y C -0.911 174.439 175.900 -0.917 0.000 1.263 680 Y CA -1.853 55.935 58.100 -0.520 0.000 1.065 680 Y CB 0.829 39.148 38.460 -0.235 0.000 1.306 680 Y HN -0.006 nan 8.280 nan 0.000 0.459 681 V N 4.070 123.776 119.914 -0.347 0.000 2.359 681 V HA -0.030 4.090 4.120 0.000 0.000 0.248 681 V C -0.060 175.852 176.094 -0.302 0.000 1.091 681 V CA -0.009 62.013 62.300 -0.463 0.000 1.103 681 V CB -0.804 30.806 31.823 -0.355 0.000 1.176 681 V HN 0.818 nan 8.190 nan 0.000 0.488 682 W N 4.474 125.633 121.300 -0.234 0.000 2.418 682 W HA -0.060 4.600 4.660 0.000 0.000 0.292 682 W C 2.163 178.650 176.519 -0.053 0.000 1.213 682 W CA 1.225 58.468 57.345 -0.171 0.000 1.283 682 W CB -0.803 28.523 29.460 -0.223 0.000 1.119 682 W HN 0.938 nan 8.180 nan 0.000 0.542 683 H N -0.468 118.711 119.070 0.181 0.000 2.562 683 H HA 0.105 4.661 4.556 0.000 0.000 0.272 683 H C -0.107 175.250 175.328 0.049 0.000 1.019 683 H CA 0.727 56.828 56.048 0.088 0.000 1.160 683 H CB -0.073 29.728 29.762 0.065 0.000 1.334 683 H HN 0.022 nan 8.280 nan 0.000 0.611 684 E N 0.551 120.676 120.200 -0.125 0.000 2.191 684 E HA 0.327 4.677 4.350 0.000 0.000 0.263 684 E C 0.386 177.012 176.600 0.042 0.000 0.881 684 E CA -0.010 56.369 56.400 -0.035 0.000 0.757 684 E CB 1.343 30.966 29.700 -0.129 0.000 1.147 684 E HN 0.550 nan 8.360 nan 0.000 0.414 685 G N 3.620 112.472 108.800 0.086 0.000 2.176 685 G HA2 -0.270 3.690 3.960 0.000 0.000 0.253 685 G HA3 -0.270 3.690 3.960 0.000 0.000 0.253 685 G C 0.407 175.363 174.900 0.093 0.000 0.979 685 G CA 0.426 45.574 45.100 0.079 0.000 0.641 685 G HN 0.573 nan 8.290 nan 0.000 0.530 686 T N 1.040 115.649 114.554 0.092 0.000 2.933 686 T HA 0.422 4.772 4.350 0.000 0.000 0.306 686 T C 0.572 175.237 174.700 -0.058 0.000 1.045 686 T CA 0.862 62.924 62.100 -0.063 0.000 1.143 686 T CB 1.480 70.197 68.868 -0.252 0.000 1.003 686 T HN 1.585 nan 8.240 nan 0.000 0.540 687 A N 3.294 126.034 122.820 -0.133 0.000 2.291 687 A HA 0.678 4.998 4.320 0.000 0.000 0.311 687 A C -0.497 176.986 177.584 -0.169 0.000 1.224 687 A CA -0.770 51.237 52.037 -0.050 0.000 0.821 687 A CB 0.217 19.247 19.000 0.050 0.000 1.172 687 A HN 0.670 nan 8.150 nan 0.000 0.494 688 F N 1.668 121.661 119.950 0.071 0.000 2.377 688 F HA 0.444 4.971 4.527 0.000 0.000 0.328 688 F C 0.926 176.640 175.800 -0.144 0.000 1.094 688 F CA 0.376 58.420 58.000 0.074 0.000 1.093 688 F CB 1.191 40.242 39.000 0.085 0.000 1.214 688 F HN 0.497 nan 8.300 nan 0.000 0.518 689 H N 3.053 122.259 119.070 0.227 0.000 2.840 689 H HA 0.310 4.866 4.556 0.000 0.000 0.340 689 H C -1.387 173.913 175.328 -0.046 0.000 1.004 689 H CA -0.855 55.187 56.048 -0.011 0.000 1.288 689 H CB 2.318 32.016 29.762 -0.107 0.000 1.607 689 H HN 0.386 nan 8.280 nan 0.000 0.522 690 L N 3.969 125.151 121.223 -0.068 0.000 2.275 690 L HA 0.384 4.724 4.340 0.000 0.000 0.288 690 L C -1.376 175.387 176.870 -0.177 0.000 1.046 690 L CA -0.177 54.657 54.840 -0.012 0.000 0.805 690 L CB 0.099 42.163 42.059 0.008 0.000 1.193 690 L HN 0.349 nan 8.230 nan 0.000 0.426 691 F N 4.622 124.599 119.950 0.046 0.000 2.403 691 F HA 0.380 4.907 4.527 -0.000 0.000 0.355 691 F C 0.391 176.179 175.800 -0.019 0.000 1.119 691 F CA -0.876 57.134 58.000 0.018 0.000 1.007 691 F CB 0.736 39.730 39.000 -0.009 0.000 1.194 691 F HN 0.548 nan 8.300 nan 0.000 0.443 692 N N 2.591 121.356 118.700 0.110 0.000 2.650 692 N HA -0.237 4.503 4.740 0.000 0.000 0.272 692 N C -0.809 174.698 175.510 -0.004 0.000 1.058 692 N CA 0.404 53.479 53.050 0.043 0.000 0.765 692 N CB -0.774 37.734 38.487 0.035 0.000 0.902 692 N HN 0.601 nan 8.380 nan 0.000 0.551 693 L N 0.784 122.009 121.223 0.004 0.000 2.361 693 L HA 0.079 4.419 4.340 0.000 0.000 0.278 693 L C 0.825 177.670 176.870 -0.041 0.000 1.113 693 L CA 0.051 54.886 54.840 -0.008 0.000 0.849 693 L CB 0.424 42.498 42.059 0.025 0.000 1.155 693 L HN 0.327 nan 8.230 nan 0.000 0.452 694 Q N 2.531 122.253 119.800 -0.130 0.000 2.230 694 Q HA 0.097 4.437 4.340 0.000 0.000 0.248 694 Q C -0.570 175.452 176.000 0.036 0.000 0.915 694 Q CA -0.695 55.020 55.803 -0.146 0.000 0.900 694 Q CB 1.394 29.869 28.738 -0.438 0.000 1.229 694 Q HN 0.488 nan 8.270 nan 0.000 0.439 695 D N 0.483 120.919 120.400 0.060 0.000 2.661 695 D HA 0.043 4.683 4.640 0.000 0.000 0.244 695 D C 0.643 177.056 176.300 0.190 0.000 1.196 695 D CA 1.977 56.035 54.000 0.098 0.000 0.881 695 D CB -0.133 40.704 40.800 0.062 0.000 1.141 695 D HN 0.736 nan 8.370 nan 0.000 0.530 696 G N 3.043 111.928 108.800 0.142 0.000 2.130 696 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 696 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 696 G C -0.006 174.893 174.900 -0.002 0.000 0.999 696 G CA -0.153 44.990 45.100 0.073 0.000 0.686 696 G HN 0.704 nan 8.290 nan 0.000 0.515 697 H N -0.393 118.674 119.070 -0.004 0.000 2.771 697 H HA 0.642 5.198 4.556 0.000 0.000 0.367 697 H C -0.662 174.661 175.328 -0.010 0.000 1.172 697 H CA -0.569 55.475 56.048 -0.007 0.000 1.186 697 H CB 2.318 32.077 29.762 -0.006 0.000 1.790 697 H HN 0.301 nan 8.280 nan 0.000 0.556 698 E N 0.771 121.021 120.200 0.084 0.000 2.234 698 E HA 0.554 4.904 4.350 0.000 0.000 0.266 698 E C -1.584 175.042 176.600 0.042 0.000 0.877 698 E CA -0.925 55.498 56.400 0.038 0.000 0.758 698 E CB 1.810 31.506 29.700 -0.007 0.000 1.170 698 E HN 0.691 nan 8.360 nan 0.000 0.415 699 A N 3.359 126.198 122.820 0.031 0.000 2.317 699 A HA 0.636 4.956 4.320 0.000 0.000 0.327 699 A C -1.022 176.561 177.584 -0.002 0.000 1.178 699 A CA -0.562 51.493 52.037 0.030 0.000 0.817 699 A CB 1.274 20.304 19.000 0.051 0.000 1.189 699 A HN 0.369 nan 8.150 nan 0.000 0.489 700 V N 1.085 120.998 119.914 -0.001 0.000 2.604 700 V HA 0.552 4.672 4.120 0.000 0.000 0.305 700 V C -0.561 175.536 176.094 0.004 0.000 1.043 700 V CA -0.571 61.710 62.300 -0.031 0.000 0.888 700 V CB 1.553 33.354 31.823 -0.038 0.000 0.995 700 V HN 1.071 nan 8.190 nan 0.000 0.429 701 C N 4.580 123.871 119.300 -0.016 0.000 2.383 701 C HA 0.569 5.029 4.460 0.000 0.000 0.330 701 C C -0.271 174.755 174.990 0.059 0.000 1.168 701 C CA -0.429 58.637 59.018 0.080 0.000 1.374 701 C CB 0.187 28.038 27.740 0.186 0.000 2.014 701 C HN 0.998 nan 8.230 nan 0.000 0.439 702 E N 4.540 124.786 120.200 0.077 0.000 2.055 702 E HA 0.372 4.722 4.350 0.000 0.000 0.274 702 E C -0.580 176.101 176.600 0.136 0.000 0.949 702 E CA -0.373 56.065 56.400 0.063 0.000 0.775 702 E CB 1.622 31.331 29.700 0.016 0.000 1.097 702 E HN 0.571 nan 8.360 nan 0.000 0.404 703 V N 5.800 125.851 119.914 0.228 0.000 2.530 703 V HA 0.204 4.324 4.120 0.000 0.000 0.282 703 V C -1.875 174.366 176.094 0.245 0.000 1.048 703 V CA -1.526 60.935 62.300 0.269 0.000 0.997 703 V CB 0.704 32.773 31.823 0.410 0.000 0.987 703 V HN 0.582 nan 8.190 nan 0.000 0.477 704 P HA 0.462 nan 4.420 nan 0.000 0.287 704 P C -0.620 176.947 177.300 0.444 0.000 1.270 704 P CA -0.497 62.779 63.100 0.293 0.000 0.844 704 P CB 1.428 33.290 31.700 0.271 0.000 1.068 705 A N 2.016 125.024 122.820 0.314 0.000 2.296 705 A HA 0.478 4.798 4.320 0.000 0.000 0.264 705 A C 1.727 179.503 177.584 0.320 0.000 1.097 705 A CA 0.236 52.429 52.037 0.260 0.000 0.811 705 A CB -0.595 18.483 19.000 0.130 0.000 1.072 705 A HN 0.539 nan 8.150 nan 0.000 0.495 706 A N 0.035 122.913 122.820 0.097 0.000 2.024 706 A HA -0.135 4.185 4.320 0.000 0.000 0.220 706 A C 1.339 179.047 177.584 0.207 0.000 1.164 706 A CA 2.061 54.090 52.037 -0.013 0.000 0.643 706 A CB -0.588 18.320 19.000 -0.154 0.000 0.806 706 A HN 0.877 nan 8.150 nan 0.000 0.451 707 D N -2.404 118.127 120.400 0.219 0.000 2.328 707 D HA 0.281 4.921 4.640 0.000 0.000 0.221 707 D C 1.178 177.633 176.300 0.258 0.000 1.072 707 D CA 0.923 55.057 54.000 0.223 0.000 0.850 707 D CB -0.469 40.408 40.800 0.129 0.000 0.922 707 D HN 0.702 nan 8.370 nan 0.000 0.516 708 G N 0.496 109.522 108.800 0.377 0.000 2.284 708 G HA2 -0.330 3.630 3.960 0.000 0.000 0.247 708 G HA3 -0.330 3.630 3.960 0.000 0.000 0.247 708 G C 0.531 175.511 174.900 0.133 0.000 1.012 708 G CA 0.527 45.766 45.100 0.231 0.000 0.618 708 G HN 0.884 nan 8.290 nan 0.000 0.521 709 S N -0.227 115.547 115.700 0.124 0.000 2.576 709 S HA 0.508 4.978 4.470 0.000 0.000 0.272 709 S C 0.461 175.117 174.600 0.092 0.000 1.352 709 S CA 0.046 58.294 58.200 0.080 0.000 1.021 709 S CB 1.849 65.086 63.200 0.063 0.000 0.887 709 S HN 1.166 nan 8.310 nan 0.000 0.542 710 V N 3.342 123.291 119.914 0.059 0.000 2.427 710 V HA 0.230 4.350 4.120 0.000 0.000 0.268 710 V C 1.079 177.210 176.094 0.061 0.000 1.046 710 V CA -0.156 62.181 62.300 0.062 0.000 0.970 710 V CB 0.424 32.261 31.823 0.023 0.000 1.001 710 V HN 0.979 nan 8.190 nan 0.000 0.476 711 I N 4.070 124.697 120.570 0.094 0.000 2.927 711 I HA 0.291 4.461 4.170 0.000 0.000 0.268 711 I C 0.151 176.354 176.117 0.144 0.000 1.153 711 I CA 0.676 62.014 61.300 0.062 0.000 1.459 711 I CB 0.532 38.511 38.000 -0.034 0.000 1.149 711 I HN 0.534 nan 8.210 nan 0.000 0.443 712 F N 0.195 120.139 119.950 -0.011 0.000 2.574 712 F HA 0.447 4.974 4.527 0.000 0.000 0.313 712 F C -0.948 174.837 175.800 -0.025 0.000 1.130 712 F CA -0.522 57.465 58.000 -0.020 0.000 0.936 712 F CB 1.743 40.749 39.000 0.009 0.000 1.219 712 F HN -0.392 nan 8.300 nan 0.000 0.445 713 T N 7.093 121.215 114.554 -0.721 0.000 2.815 713 T HA 0.417 4.767 4.350 0.000 0.000 0.289 713 T C -1.064 173.097 174.700 -0.899 0.000 1.000 713 T CA -0.496 61.264 62.100 -0.567 0.000 0.958 713 T CB 0.948 69.621 68.868 -0.325 0.000 0.944 713 T HN 0.438 nan 8.240 nan 0.000 0.442 714 L N 4.198 124.985 121.223 -0.727 0.000 2.295 714 L HA 0.586 4.926 4.340 0.000 0.000 0.285 714 L C -0.362 176.284 176.870 -0.372 0.000 1.035 714 L CA -0.540 53.889 54.840 -0.685 0.000 0.806 714 L CB 1.220 42.716 42.059 -0.938 0.000 1.214 714 L HN 0.600 nan 8.230 nan 0.000 0.426 715 K N 3.660 123.892 120.400 -0.280 0.000 2.378 715 K HA 0.729 5.049 4.320 0.000 0.000 0.252 715 K C -1.052 175.485 176.600 -0.106 0.000 0.931 715 K CA -0.621 55.571 56.287 -0.157 0.000 0.794 715 K CB 2.442 34.867 32.500 -0.125 0.000 1.181 715 K HN 0.618 nan 8.250 nan 0.000 0.425 716 A N 1.629 124.414 122.820 -0.058 0.000 2.332 716 A HA 0.733 5.053 4.320 0.000 0.000 0.300 716 A C -1.098 176.486 177.584 -0.001 0.000 1.153 716 A CA -0.653 51.371 52.037 -0.022 0.000 0.764 716 A CB 1.166 20.164 19.000 -0.004 0.000 1.174 716 A HN 0.710 nan 8.150 nan 0.000 0.467 717 A N 2.619 125.440 122.820 0.002 0.000 2.331 717 A HA 0.776 5.096 4.320 0.000 0.000 0.320 717 A C -0.031 177.567 177.584 0.024 0.000 1.138 717 A CA -0.664 51.381 52.037 0.013 0.000 0.790 717 A CB 0.752 19.751 19.000 -0.002 0.000 1.206 717 A HN 0.929 nan 8.150 nan 0.000 0.470 718 R N 1.447 121.972 120.500 0.042 0.000 2.407 718 R HA 0.596 4.936 4.340 0.000 0.000 0.303 718 R C 0.339 176.663 176.300 0.040 0.000 0.981 718 R CA 0.205 56.330 56.100 0.042 0.000 0.905 718 R CB 1.495 31.828 30.300 0.055 0.000 1.099 718 R HN 0.709 nan 8.270 nan 0.000 0.459 719 T N 0.974 115.545 114.554 0.029 0.000 3.174 719 T HA 0.350 4.700 4.350 0.000 0.000 0.252 719 T C 0.566 175.280 174.700 0.024 0.000 0.984 719 T CA 0.632 62.745 62.100 0.023 0.000 1.113 719 T CB 0.249 69.124 68.868 0.012 0.000 1.088 719 T HN 0.706 nan 8.240 nan 0.000 0.442 720 G N 0.694 109.506 108.800 0.021 0.000 2.851 720 G HA2 0.229 4.189 3.960 0.000 0.000 0.208 720 G HA3 0.229 4.189 3.960 0.000 0.000 0.208 720 G C 0.301 175.213 174.900 0.020 0.000 1.894 720 G CA -0.088 45.024 45.100 0.020 0.000 0.732 720 G HN 0.270 nan 8.290 nan 0.000 0.802 721 N N 0.777 119.487 118.700 0.017 0.000 2.276 721 N HA 0.230 4.970 4.740 0.000 0.000 0.212 721 N C -0.529 174.990 175.510 0.015 0.000 1.127 721 N CA 0.117 53.176 53.050 0.016 0.000 0.834 721 N CB 0.685 39.181 38.487 0.013 0.000 1.014 721 N HN 0.138 nan 8.380 nan 0.000 0.491 722 T N 1.585 116.149 114.554 0.016 0.000 2.758 722 T HA 0.445 4.795 4.350 0.000 0.000 0.285 722 T C 0.340 175.051 174.700 0.017 0.000 0.981 722 T CA -0.608 61.501 62.100 0.015 0.000 0.965 722 T CB 0.892 69.768 68.868 0.013 0.000 0.927 722 T HN 0.102 nan 8.240 nan 0.000 0.448 723 I N 0.712 121.293 120.570 0.018 0.000 2.328 723 I HA 0.520 4.690 4.170 0.000 0.000 0.287 723 I C -0.382 175.746 176.117 0.019 0.000 1.012 723 I CA -0.637 60.675 61.300 0.020 0.000 1.195 723 I CB 1.131 39.144 38.000 0.022 0.000 1.350 723 I HN 0.310 nan 8.210 nan 0.000 0.464 724 T N 6.430 120.992 114.554 0.014 0.000 2.728 724 T HA 0.352 4.702 4.350 0.000 0.000 0.296 724 T C 0.167 174.871 174.700 0.008 0.000 0.940 724 T CA -0.280 61.827 62.100 0.012 0.000 1.013 724 T CB 1.146 70.018 68.868 0.006 0.000 0.912 724 T HN 0.437 nan 8.240 nan 0.000 0.484 725 V N 5.249 125.176 119.914 0.021 0.000 2.383 725 V HA 0.461 4.581 4.120 0.000 0.000 0.275 725 V C 0.371 176.476 176.094 0.018 0.000 1.036 725 V CA -0.753 61.557 62.300 0.017 0.000 0.889 725 V CB 1.094 32.957 31.823 0.065 0.000 0.985 725 V HN 1.001 nan 8.190 nan 0.000 0.459 726 T N 2.293 116.823 114.554 -0.039 0.000 2.840 726 T HA 0.656 5.006 4.350 0.000 0.000 0.287 726 T C 0.255 174.869 174.700 -0.144 0.000 0.991 726 T CA -0.513 61.559 62.100 -0.047 0.000 0.964 726 T CB 1.582 70.418 68.868 -0.052 0.000 0.954 726 T HN 0.841 nan 8.240 nan 0.000 0.438 727 G N 1.174 109.924 108.800 -0.084 0.000 2.425 727 G HA2 0.692 4.652 3.960 0.000 0.000 0.302 727 G HA3 0.692 4.652 3.960 0.000 0.000 0.302 727 G C -0.842 173.932 174.900 -0.211 0.000 1.159 727 G CA -0.989 43.958 45.100 -0.255 0.000 0.865 727 G HN 1.148 nan 8.290 nan 0.000 0.515 728 A N 0.257 122.808 122.820 -0.448 0.000 2.485 728 A HA 0.893 5.213 4.320 0.000 0.000 0.285 728 A C 0.287 177.777 177.584 -0.158 0.000 1.045 728 A CA 0.557 52.471 52.037 -0.206 0.000 0.792 728 A CB 0.841 19.730 19.000 -0.184 0.000 1.307 728 A HN 2.635 nan 8.150 nan 0.000 0.406 729 G N 0.993 109.837 108.800 0.073 0.000 2.378 729 G HA2 0.185 4.145 3.960 0.000 0.000 0.198 729 G HA3 0.185 4.145 3.960 0.000 0.000 0.198 729 G C -0.346 174.748 174.900 0.324 0.000 1.223 729 G CA 0.001 45.200 45.100 0.165 0.000 1.088 729 G HN 1.401 nan 8.290 nan 0.000 0.530 730 E N 0.515 120.877 120.200 0.269 0.000 2.073 730 E HA 0.624 4.974 4.350 0.000 0.000 0.269 730 E C -0.199 176.384 176.600 -0.027 0.000 0.917 730 E CA -0.161 56.305 56.400 0.109 0.000 0.757 730 E CB 0.665 30.346 29.700 -0.032 0.000 1.111 730 E HN 1.569 nan 8.360 nan 0.000 0.410 731 A N 4.482 127.215 122.820 -0.145 0.000 2.517 731 A HA 0.588 4.908 4.320 0.000 0.000 0.297 731 A C -1.370 176.261 177.584 0.078 0.000 1.050 731 A CA -0.902 50.981 52.037 -0.257 0.000 0.694 731 A CB 1.570 19.777 19.000 -1.322 0.000 1.277 731 A HN 0.545 nan 8.150 nan 0.000 0.400 732 K N 1.139 121.648 120.400 0.181 0.000 2.316 732 K HA 0.547 4.867 4.320 0.000 0.000 0.251 732 K C 0.263 176.969 176.600 0.176 0.000 0.934 732 K CA -0.588 55.801 56.287 0.169 0.000 0.802 732 K CB 1.369 33.931 32.500 0.102 0.000 1.171 732 K HN 0.822 nan 8.250 nan 0.000 0.426 733 N N 2.454 121.193 118.700 0.064 0.000 2.738 733 N HA -0.129 4.611 4.740 0.000 0.000 0.249 733 N C -1.283 174.281 175.510 0.090 0.000 1.047 733 N CA 0.227 53.282 53.050 0.007 0.000 0.707 733 N CB -0.137 38.361 38.487 0.019 0.000 0.937 733 N HN 0.581 nan 8.380 nan 0.000 0.545 734 W N 0.563 121.889 121.300 0.043 0.000 2.639 734 W HA 0.662 5.322 4.660 -0.000 0.000 0.347 734 W C -0.134 176.463 176.519 0.130 0.000 1.067 734 W CA -0.264 57.146 57.345 0.109 0.000 1.218 734 W CB 0.503 30.106 29.460 0.238 0.000 1.393 734 W HN 0.075 nan 8.180 nan 0.000 0.557 735 T N 0.445 115.279 114.554 0.467 0.000 2.940 735 T HA 0.692 5.042 4.350 0.000 0.000 0.288 735 T C -1.038 173.983 174.700 0.535 0.000 1.045 735 T CA -1.011 61.279 62.100 0.316 0.000 1.018 735 T CB 2.266 71.197 68.868 0.105 0.000 1.151 735 T HN 0.590 nan 8.240 nan 0.000 0.529 736 L N 1.256 122.675 121.223 0.326 0.000 2.409 736 L HA 0.625 4.965 4.340 0.000 0.000 0.272 736 L C -1.273 175.626 176.870 0.049 0.000 0.980 736 L CA -0.701 54.300 54.840 0.269 0.000 0.826 736 L CB 1.275 43.538 42.059 0.340 0.000 1.268 736 L HN 1.130 nan 8.230 nan 0.000 0.407 737 C N 6.915 126.160 119.300 -0.092 0.000 2.281 737 C HA 0.495 4.955 4.460 0.000 0.000 0.323 737 C C 0.225 175.158 174.990 -0.095 0.000 1.270 737 C CA -0.800 58.136 59.018 -0.136 0.000 1.559 737 C CB -0.030 27.534 27.740 -0.294 0.000 2.239 737 C HN 0.755 nan 8.230 nan 0.000 0.488 738 L N 6.164 127.357 121.223 -0.049 0.000 2.462 738 L HA 0.322 4.662 4.340 0.000 0.000 0.283 738 L C 0.798 177.631 176.870 -0.062 0.000 1.166 738 L CA -0.037 54.774 54.840 -0.048 0.000 0.964 738 L CB -0.465 41.585 42.059 -0.016 0.000 1.294 738 L HN 0.653 nan 8.230 nan 0.000 0.449 739 R N 3.512 123.931 120.500 -0.135 0.000 2.502 739 R HA -0.001 4.339 4.340 0.000 0.000 0.292 739 R C 0.862 177.137 176.300 -0.042 0.000 0.998 739 R CA 0.452 56.470 56.100 -0.138 0.000 1.056 739 R CB -0.071 29.984 30.300 -0.408 0.000 0.939 739 R HN 0.568 nan 8.270 nan 0.000 0.411 740 N N 0.969 119.672 118.700 0.006 0.000 2.741 740 N HA -0.185 4.555 4.740 0.000 0.000 0.251 740 N C -1.330 174.193 175.510 0.023 0.000 1.112 740 N CA 1.178 54.247 53.050 0.032 0.000 0.750 740 N CB -0.638 37.882 38.487 0.054 0.000 1.119 740 N HN 0.190 nan 8.380 nan 0.000 0.561 741 V N 1.600 121.521 119.914 0.012 0.000 2.326 741 V HA 0.192 4.312 4.120 0.000 0.000 0.281 741 V C 1.619 177.720 176.094 0.013 0.000 1.015 741 V CA -0.365 61.942 62.300 0.011 0.000 0.823 741 V CB 1.602 33.428 31.823 0.005 0.000 1.009 741 V HN 0.097 nan 8.190 nan 0.000 0.436 742 V N 2.219 122.143 119.914 0.017 0.000 2.446 742 V HA 0.247 4.367 4.120 0.000 0.000 0.244 742 V C 0.783 176.885 176.094 0.014 0.000 1.039 742 V CA 0.991 63.302 62.300 0.017 0.000 1.045 742 V CB -0.237 31.598 31.823 0.019 0.000 0.681 742 V HN 0.644 nan 8.190 nan 0.000 0.459 743 K N -0.892 119.515 120.400 0.012 0.000 2.435 743 K HA 0.761 5.081 4.320 0.000 0.000 0.251 743 K C -1.852 174.754 176.600 0.010 0.000 0.954 743 K CA -0.564 55.730 56.287 0.011 0.000 0.820 743 K CB 2.900 35.406 32.500 0.011 0.000 1.292 743 K HN 0.079 nan 8.250 nan 0.000 0.436 744 V N 2.841 122.760 119.914 0.008 0.000 2.760 744 V HA 0.118 4.238 4.120 0.000 0.000 0.309 744 V C 0.600 176.698 176.094 0.008 0.000 1.077 744 V CA -0.670 61.635 62.300 0.008 0.000 0.910 744 V CB 1.849 33.677 31.823 0.008 0.000 1.008 744 V HN 0.965 nan 8.190 nan 0.000 0.424 745 N N 3.450 122.155 118.700 0.008 0.000 2.025 745 N HA 0.022 4.762 4.740 0.000 0.000 0.194 745 N C 0.552 176.066 175.510 0.006 0.000 1.044 745 N CA 1.898 54.952 53.050 0.007 0.000 0.851 745 N CB -0.015 38.477 38.487 0.008 0.000 1.036 745 N HN 0.870 nan 8.380 nan 0.000 0.422 746 G N -1.165 107.639 108.800 0.007 0.000 2.690 746 G HA2 0.580 4.540 3.960 0.000 0.000 0.291 746 G HA3 0.580 4.540 3.960 0.000 0.000 0.291 746 G C -2.095 172.809 174.900 0.006 0.000 1.403 746 G CA -0.601 44.502 45.100 0.006 0.000 0.864 746 G HN 0.194 nan 8.290 nan 0.000 0.480 747 L N -0.034 121.191 121.223 0.004 0.000 2.455 747 L HA 0.576 4.916 4.340 0.000 0.000 0.264 747 L C -1.236 175.635 176.870 0.003 0.000 0.968 747 L CA -0.709 54.134 54.840 0.004 0.000 0.827 747 L CB 2.325 44.385 42.059 0.001 0.000 1.317 747 L HN 0.475 nan 8.230 nan 0.000 0.407 748 Q N 3.099 122.902 119.800 0.005 0.000 2.310 748 Q HA 0.285 4.625 4.340 0.000 0.000 0.270 748 Q C -1.210 174.793 176.000 0.004 0.000 1.025 748 Q CA -0.493 55.312 55.803 0.005 0.000 0.772 748 Q CB 2.052 30.795 28.738 0.008 0.000 1.253 748 Q HN 0.729 nan 8.270 nan 0.000 0.450 749 D N 0.917 121.316 120.400 -0.002 0.000 3.017 749 D HA -0.140 4.500 4.640 0.000 0.000 0.220 749 D C -0.264 176.022 176.300 -0.023 0.000 1.141 749 D CA 1.621 55.617 54.000 -0.007 0.000 0.848 749 D CB -0.932 39.871 40.800 0.005 0.000 1.102 749 D HN 0.788 nan 8.370 nan 0.000 0.427 750 G N -1.397 107.387 108.800 -0.027 0.000 2.646 750 G HA2 0.595 4.555 3.960 0.000 0.000 0.291 750 G HA3 0.595 4.555 3.960 0.000 0.000 0.291 750 G C -0.660 174.218 174.900 -0.038 0.000 1.445 750 G CA -0.070 45.002 45.100 -0.047 0.000 0.814 750 G HN 0.425 nan 8.290 nan 0.000 0.495 751 S N -0.635 115.036 115.700 -0.049 0.000 2.608 751 S HA 0.725 5.195 4.470 0.000 0.000 0.291 751 S C -0.149 174.433 174.600 -0.029 0.000 1.146 751 S CA -0.683 57.496 58.200 -0.035 0.000 1.043 751 S CB 1.702 64.879 63.200 -0.039 0.000 1.037 751 S HN 0.958 nan 8.310 nan 0.000 0.520 752 Q N 0.395 120.184 119.800 -0.018 0.000 2.297 752 Q HA 0.838 5.178 4.340 0.000 0.000 0.268 752 Q C -1.103 174.891 176.000 -0.010 0.000 1.045 752 Q CA -1.483 54.313 55.803 -0.012 0.000 0.861 752 Q CB 1.910 30.645 28.738 -0.005 0.000 1.344 752 Q HN 0.942 nan 8.270 nan 0.000 0.452 753 A N 1.280 124.096 122.820 -0.006 0.000 2.547 753 A HA 0.410 4.730 4.320 0.000 0.000 0.297 753 A C -1.189 176.398 177.584 0.004 0.000 1.056 753 A CA -0.806 51.230 52.037 -0.002 0.000 0.688 753 A CB 1.701 20.699 19.000 -0.004 0.000 1.282 753 A HN 0.776 nan 8.150 nan 0.000 0.400 754 E N 0.885 121.090 120.200 0.008 0.000 2.354 754 E HA 0.481 4.831 4.350 0.000 0.000 0.269 754 E C 0.093 176.705 176.600 0.020 0.000 1.036 754 E CA 0.263 56.671 56.400 0.014 0.000 0.876 754 E CB 0.963 30.672 29.700 0.015 0.000 1.009 754 E HN 0.763 nan 8.360 nan 0.000 0.416 755 S N 0.495 116.212 115.700 0.027 0.000 2.607 755 S HA 0.153 4.623 4.470 0.000 0.000 0.273 755 S C 0.427 175.055 174.600 0.047 0.000 1.148 755 S CA -0.924 57.299 58.200 0.039 0.000 0.833 755 S CB 1.304 64.532 63.200 0.046 0.000 1.130 755 S HN 0.649 nan 8.310 nan 0.000 0.470 756 E N -0.019 120.215 120.200 0.058 0.000 2.482 756 E HA -0.036 4.314 4.350 0.000 0.000 0.196 756 E C 1.250 177.896 176.600 0.076 0.000 1.047 756 E CA 0.504 56.942 56.400 0.062 0.000 0.869 756 E CB -0.292 29.447 29.700 0.065 0.000 0.836 756 E HN 0.693 nan 8.360 nan 0.000 0.520 757 Q N 0.491 120.342 119.800 0.085 0.000 2.376 757 Q HA 0.221 4.561 4.340 0.000 0.000 0.206 757 Q C 0.462 176.498 176.000 0.061 0.000 0.921 757 Q CA 0.575 56.434 55.803 0.093 0.000 0.911 757 Q CB 1.041 29.858 28.738 0.132 0.000 1.032 757 Q HN 0.357 nan 8.270 nan 0.000 0.510 758 G N -0.023 108.804 108.800 0.045 0.000 2.361 758 G HA2 0.064 4.024 3.960 0.000 0.000 0.305 758 G HA3 0.064 4.024 3.960 0.000 0.000 0.305 758 G C -2.079 172.830 174.900 0.015 0.000 1.367 758 G CA -1.157 43.956 45.100 0.022 0.000 0.951 758 G HN -0.007 nan 8.290 nan 0.000 0.615 759 L N 0.460 121.687 121.223 0.006 0.000 2.513 759 L HA 0.477 4.817 4.340 0.000 0.000 0.272 759 L C 0.559 177.427 176.870 -0.004 0.000 1.187 759 L CA 0.100 54.942 54.840 0.004 0.000 0.895 759 L CB 0.987 43.049 42.059 0.004 0.000 1.147 759 L HN 0.471 nan 8.230 nan 0.000 0.483 760 V N 6.351 126.264 119.914 -0.002 0.000 2.364 760 V HA 0.346 4.466 4.120 0.000 0.000 0.272 760 V C -0.030 176.062 176.094 -0.004 0.000 1.036 760 V CA -0.711 61.584 62.300 -0.007 0.000 0.880 760 V CB 1.335 33.154 31.823 -0.006 0.000 0.991 760 V HN 0.471 nan 8.190 nan 0.000 0.460 761 V N 4.933 124.850 119.914 0.006 0.000 2.427 761 V HA 0.472 4.592 4.120 0.000 0.000 0.286 761 V C 0.017 176.090 176.094 -0.035 0.000 1.034 761 V CA -0.798 61.500 62.300 -0.004 0.000 0.893 761 V CB 1.773 33.606 31.823 0.018 0.000 0.982 761 V HN 0.885 nan 8.190 nan 0.000 0.452 762 K N 8.461 128.810 120.400 -0.085 0.000 2.293 762 K HA 0.526 4.846 4.320 0.000 0.000 0.267 762 K C -2.603 173.856 176.600 -0.236 0.000 1.010 762 K CA -2.002 54.176 56.287 -0.181 0.000 0.875 762 K CB 1.651 34.062 32.500 -0.148 0.000 1.106 762 K HN 0.349 nan 8.250 nan 0.000 0.450 763 P HA 0.020 nan 4.420 nan 0.000 0.269 763 P C -1.408 175.742 177.300 -0.250 0.000 1.215 763 P CA 0.019 62.908 63.100 -0.352 0.000 0.780 763 P CB 0.561 31.865 31.700 -0.659 0.000 0.898 764 Q N 0.607 120.328 119.800 -0.132 0.000 2.487 764 Q HA 0.514 4.854 4.340 0.000 0.000 0.234 764 Q C -0.521 175.457 176.000 -0.036 0.000 0.828 764 Q CA -0.842 54.910 55.803 -0.085 0.000 0.907 764 Q CB 0.692 29.385 28.738 -0.075 0.000 1.462 764 Q HN 0.769 nan 8.270 nan 0.000 0.442 765 G N 2.631 111.423 108.800 -0.013 0.000 3.137 765 G HA2 -0.212 3.748 3.960 0.000 0.000 0.686 765 G HA3 -0.212 3.748 3.960 0.000 0.000 0.686 765 G C -1.125 173.794 174.900 0.032 0.000 0.988 765 G CA -0.738 44.369 45.100 0.013 0.000 0.789 765 G HN 0.598 nan 8.290 nan 0.000 0.544 766 N N 0.941 119.674 118.700 0.056 0.000 2.444 766 N HA 0.727 5.467 4.740 0.000 0.000 0.271 766 N C 0.913 176.457 175.510 0.056 0.000 1.069 766 N CA 0.727 53.826 53.050 0.081 0.000 0.965 766 N CB 1.477 40.036 38.487 0.121 0.000 1.092 766 N HN 1.634 nan 8.380 nan 0.000 0.476 767 A N 2.635 125.490 122.820 0.059 0.000 2.317 767 A HA -0.006 4.314 4.320 0.000 0.000 0.198 767 A C 0.238 177.850 177.584 0.046 0.000 2.567 767 A CA -0.488 51.574 52.037 0.040 0.000 1.525 767 A CB -1.046 17.970 19.000 0.027 0.000 1.020 767 A HN 0.535 nan 8.150 nan 0.000 0.433 768 L N 2.352 123.607 121.223 0.055 0.000 3.635 768 L HA -0.169 4.171 4.340 0.000 0.000 0.531 768 L C -0.462 176.433 176.870 0.043 0.000 1.009 768 L CA 0.974 55.847 54.840 0.054 0.000 0.944 768 L CB -0.440 41.679 42.059 0.099 0.000 0.915 768 L HN 0.524 nan 8.230 nan 0.000 0.680 769 T N 5.772 120.343 114.554 0.028 0.000 2.795 769 T HA 0.662 5.012 4.350 0.000 0.000 0.282 769 T C -0.002 174.710 174.700 0.020 0.000 0.980 769 T CA -0.293 61.820 62.100 0.022 0.000 1.012 769 T CB 0.961 69.838 68.868 0.016 0.000 0.936 769 T HN 0.338 nan 8.240 nan 0.000 0.457 770 I N 2.607 123.189 120.570 0.020 0.000 2.447 770 I HA 0.340 4.510 4.170 0.000 0.000 0.287 770 I C 0.321 176.447 176.117 0.015 0.000 1.023 770 I CA -0.728 60.583 61.300 0.017 0.000 1.083 770 I CB 2.084 40.096 38.000 0.021 0.000 1.245 770 I HN 0.460 nan 8.210 nan 0.000 0.434 771 T N 7.178 121.739 114.554 0.012 0.000 2.758 771 T HA 0.611 4.961 4.350 0.000 0.000 0.285 771 T C -0.256 174.451 174.700 0.011 0.000 0.981 771 T CA -0.413 61.694 62.100 0.012 0.000 0.965 771 T CB 0.331 69.204 68.868 0.010 0.000 0.927 771 T HN 0.356 nan 8.240 nan 0.000 0.448 772 L N 4.077 125.308 121.223 0.012 0.000 2.464 772 L HA 0.473 4.813 4.340 0.000 0.000 0.264 772 L C 1.920 178.796 176.870 0.011 0.000 1.199 772 L CA -0.554 54.293 54.840 0.012 0.000 0.818 772 L CB 0.106 42.172 42.059 0.012 0.000 1.102 772 L HN 0.991 nan 8.230 nan 0.000 0.473 773 H N 0.000 119.076 119.070 0.010 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.054 56.048 0.010 0.000 1.023 773 H CB 0.000 29.768 29.762 0.010 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496