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 3mi6_1_D DATA FIRST_RESID 3 DATA SEQUENCE IHVNEANLTF HLQTDHTSYI FQIXKNGEAG QIYYGPRIHV QPTYQNLXSQ DATA SEQUENCE EWRDATPSLN EENPNFQPAT IKAEYASLGK GDFRQPAFQV TQANGSRITE DATA SEQUENCE LTYDHYQLLT GKQRLANLPS TFDDTDDDAQ TLVVSFNDRI TGLALDLNYS DATA SEQUENCE IFPHQDVIVK SAKFTNPSSE KLVLNRALSS QLDLPDANYD LIQFSGTWAR DATA SEQUENCE ERHLYRHPLR PGXQSISSLR XASSHQQNPF XXLARPQTTD EQGAVFGFNL DATA SEQUENCE VYSGNFLDAI EVDQYSTSRI LTGINPDEFG WNLAPQATFQ TPEAILSYTS DATA SEQUENCE AGXNQLSQQX ASFYQQHLVN PRFAHEERPV LINNWEATYF DFNEAKLXTI DATA SEQUENCE VNQAKRLGIE XFVLDDGWFG HRDDDTTSLG DWFVDQRKFP DGIEHFSQAV DATA SEQUENCE HQQGXKFGLW FEPEXVSVDS DLYQQHPDWL IHAPKSTPTP GRHQFVLDXA DATA SEQUENCE RPEVVDYLFK LXSQXIESAN LDYIKWDXNR YATEXFSSRL TSDQQLELPH DATA SEQUENCE RYILGVYQLY ARLTQAYPNV LFESCASGGG RFDLGXXYYA PQAWTSDDTD DATA SEQUENCE AAERLLIQFG TSYGYPQAXX GAHVSAVPND QXGRITSLKT RGAVAFFGDL DATA SEQUENCE GYELDITKXA PTELDQVKKQ VAFYKCYRQL FQFGKFYRID SPFVEDGNVT DATA SEQUENCE SWQVVSDDQK QAIAARYQLL NHPNAPYTRF YFKGLRPNQR YQINDDPSTY DATA SEQUENCE YGDELXNAGY FVPTILADGQ ESKDFYTQLF VVTAILEHHH HHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.044 176.117 -0.122 0.000 1.063 3 I CA 0.000 61.317 61.300 0.029 0.000 1.566 3 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 4 H N 4.951 123.989 119.070 -0.053 0.000 2.658 4 H HA 0.587 5.143 4.556 -0.000 0.000 0.337 4 H C -1.100 174.128 175.328 -0.165 0.000 1.009 4 H CA -0.755 55.230 56.048 -0.103 0.000 1.231 4 H CB 3.080 32.756 29.762 -0.144 0.000 1.508 4 H HN 0.204 nan 8.280 nan 0.000 0.517 5 V N 3.070 122.895 119.914 -0.149 0.000 2.513 5 V HA 0.142 4.262 4.120 -0.000 0.000 0.299 5 V C 0.239 176.153 176.094 -0.300 0.000 1.035 5 V CA -0.915 61.144 62.300 -0.401 0.000 0.889 5 V CB 1.833 33.302 31.823 -0.589 0.000 0.988 5 V HN 0.671 nan 8.190 nan 0.000 0.440 6 N N 2.336 120.806 118.700 -0.383 0.000 2.546 6 N HA 0.255 4.995 4.740 -0.000 0.000 0.238 6 N C 0.809 176.155 175.510 -0.272 0.000 0.984 6 N CA -0.307 52.594 53.050 -0.248 0.000 0.935 6 N CB 1.026 39.392 38.487 -0.200 0.000 1.122 6 N HN 0.693 nan 8.380 nan 0.000 0.510 7 E N 1.903 122.010 120.200 -0.154 0.000 2.208 7 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 7 E C 1.474 178.041 176.600 -0.055 0.000 0.988 7 E CA 0.778 57.136 56.400 -0.069 0.000 0.828 7 E CB 0.125 29.858 29.700 0.054 0.000 0.763 7 E HN 0.737 nan 8.360 nan 0.000 0.478 8 A N 1.173 123.953 122.820 -0.067 0.000 2.015 8 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 8 A C 1.671 179.220 177.584 -0.059 0.000 1.163 8 A CA 1.046 53.054 52.037 -0.047 0.000 0.646 8 A CB 0.043 19.015 19.000 -0.047 0.000 0.806 8 A HN 0.141 nan 8.150 nan 0.000 0.448 9 N N -1.043 117.594 118.700 -0.104 0.000 2.159 9 N HA 0.231 4.971 4.740 -0.000 0.000 0.217 9 N C -0.361 175.053 175.510 -0.159 0.000 1.223 9 N CA 0.093 53.083 53.050 -0.101 0.000 0.896 9 N CB 0.730 39.162 38.487 -0.092 0.000 1.064 9 N HN 0.308 nan 8.380 nan 0.000 0.518 10 L N 1.652 122.713 121.223 -0.270 0.000 3.634 10 L HA -0.171 4.169 4.340 -0.000 0.000 0.423 10 L C -0.835 175.706 176.870 -0.549 0.000 1.253 10 L CA 0.416 54.979 54.840 -0.461 0.000 0.885 10 L CB -2.308 39.585 42.059 -0.277 0.000 1.789 10 L HN 0.048 nan 8.230 nan 0.000 0.904 11 T N 0.644 114.856 114.554 -0.570 0.000 2.738 11 T HA 0.548 4.898 4.350 -0.000 0.000 0.298 11 T C -0.156 174.133 174.700 -0.686 0.000 0.962 11 T CA -0.118 61.732 62.100 -0.417 0.000 0.972 11 T CB 0.278 69.055 68.868 -0.152 0.000 0.928 11 T HN 0.078 nan 8.240 nan 0.000 0.474 12 F N 2.964 122.594 119.950 -0.534 0.000 2.415 12 F HA 0.404 4.931 4.527 -0.000 0.000 0.348 12 F C 0.758 176.302 175.800 -0.427 0.000 1.119 12 F CA -0.879 56.733 58.000 -0.647 0.000 1.069 12 F CB 0.980 39.233 39.000 -1.245 0.000 1.124 12 F HN 0.485 nan 8.300 nan 0.000 0.472 13 H N 4.611 123.613 119.070 -0.114 0.000 3.013 13 H HA 0.426 4.982 4.556 -0.000 0.000 0.326 13 H C -1.723 173.649 175.328 0.073 0.000 0.973 13 H CA -1.009 55.042 56.048 0.005 0.000 1.369 13 H CB 1.154 30.933 29.762 0.028 0.000 1.598 13 H HN 0.492 nan 8.280 nan 0.000 0.518 14 L N 4.691 126.119 121.223 0.342 0.000 2.276 14 L HA 0.349 4.689 4.340 -0.000 0.000 0.286 14 L C 0.391 177.468 176.870 0.345 0.000 1.061 14 L CA 0.048 55.053 54.840 0.275 0.000 0.807 14 L CB 1.273 43.410 42.059 0.129 0.000 1.177 14 L HN 0.533 nan 8.230 nan 0.000 0.429 15 Q N 2.262 122.219 119.800 0.262 0.000 2.327 15 Q HA 0.471 4.811 4.340 -0.000 0.000 0.270 15 Q C -0.278 175.785 176.000 0.103 0.000 1.022 15 Q CA -0.550 55.371 55.803 0.197 0.000 0.773 15 Q CB 2.101 30.918 28.738 0.132 0.000 1.251 15 Q HN 0.774 nan 8.270 nan 0.000 0.457 16 T N -1.720 112.894 114.554 0.099 0.000 2.867 16 T HA 0.166 4.516 4.350 -0.000 0.000 0.286 16 T C 0.705 175.393 174.700 -0.020 0.000 1.022 16 T CA -0.634 61.489 62.100 0.039 0.000 0.933 16 T CB 0.614 69.537 68.868 0.093 0.000 1.280 16 T HN 0.304 nan 8.240 nan 0.000 0.566 17 D N 0.214 120.562 120.400 -0.086 0.000 2.158 17 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 17 D C 1.350 177.306 176.300 -0.573 0.000 0.995 17 D CA 1.796 55.598 54.000 -0.329 0.000 0.846 17 D CB -0.162 40.414 40.800 -0.373 0.000 0.941 17 D HN 0.790 nan 8.370 nan 0.000 0.456 18 H N -2.688 116.444 119.070 0.104 0.000 3.535 18 H HA 0.222 4.778 4.556 -0.000 0.000 0.260 18 H C 0.204 175.609 175.328 0.128 0.000 1.173 18 H CA 0.154 56.266 56.048 0.106 0.000 1.168 18 H CB 0.817 30.641 29.762 0.104 0.000 1.568 18 H HN -0.007 nan 8.280 nan 0.000 0.602 19 T N -1.451 113.237 114.554 0.224 0.000 2.942 19 T HA 0.723 5.073 4.350 -0.000 0.000 0.289 19 T C -0.189 174.659 174.700 0.247 0.000 1.044 19 T CA -0.857 61.376 62.100 0.221 0.000 1.023 19 T CB 2.373 71.409 68.868 0.280 0.000 1.123 19 T HN 0.003 nan 8.240 nan 0.000 0.512 20 S N 1.243 117.110 115.700 0.279 0.000 2.707 20 S HA 0.427 4.897 4.470 -0.000 0.000 0.303 20 S C -1.835 172.906 174.600 0.236 0.000 1.132 20 S CA -0.655 57.718 58.200 0.288 0.000 1.046 20 S CB 0.561 63.953 63.200 0.320 0.000 1.004 20 S HN 0.699 nan 8.310 nan 0.000 0.483 21 Y N 4.388 124.697 120.300 0.014 0.000 2.335 21 Y HA 0.668 5.218 4.550 -0.000 0.000 0.339 21 Y C -0.789 175.022 175.900 -0.148 0.000 0.987 21 Y CA -0.818 57.197 58.100 -0.141 0.000 1.140 21 Y CB 0.397 38.657 38.460 -0.334 0.000 1.173 21 Y HN 0.547 nan 8.280 nan 0.000 0.486 22 I N 8.359 128.850 120.570 -0.132 0.000 2.466 22 I HA 0.422 4.592 4.170 -0.000 0.000 0.289 22 I C -1.112 175.031 176.117 0.044 0.000 1.026 22 I CA -0.836 60.369 61.300 -0.158 0.000 1.078 22 I CB 1.376 39.106 38.000 -0.451 0.000 1.249 22 I HN 0.501 nan 8.210 nan 0.000 0.429 23 F N 3.210 123.154 119.950 -0.010 0.000 2.650 23 F HA 0.780 5.307 4.527 -0.000 0.000 0.320 23 F C -1.005 174.873 175.800 0.129 0.000 1.091 23 F CA -0.938 57.082 58.000 0.033 0.000 0.962 23 F CB 1.633 40.666 39.000 0.056 0.000 1.363 23 F HN 0.436 nan 8.300 nan 0.000 0.482 24 Q N 1.832 121.797 119.800 0.277 0.000 2.315 24 Q HA 0.490 4.830 4.340 -0.000 0.000 0.273 24 Q C -1.284 174.864 176.000 0.246 0.000 1.053 24 Q CA -0.915 54.990 55.803 0.170 0.000 0.817 24 Q CB 2.474 31.280 28.738 0.113 0.000 1.326 24 Q HN 0.691 nan 8.270 nan 0.000 0.423 28 N N 0.771 119.386 118.700 -0.142 0.000 2.461 28 N HA 0.090 4.830 4.740 -0.000 0.000 0.188 28 N C 1.042 176.597 175.510 0.074 0.000 1.134 28 N CA 1.519 54.507 53.050 -0.104 0.000 0.878 28 N CB 0.846 39.224 38.487 -0.182 0.000 0.972 28 N HN 0.544 nan 8.380 nan 0.000 0.456 29 G N -0.594 108.296 108.800 0.150 0.000 2.213 29 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 29 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 29 G C -0.264 174.858 174.900 0.371 0.000 0.991 29 G CA 0.065 45.311 45.100 0.244 0.000 0.629 29 G HN 0.487 nan 8.290 nan 0.000 0.517 30 E N 0.510 120.903 120.200 0.322 0.000 2.318 30 E HA 0.616 4.966 4.350 -0.000 0.000 0.265 30 E C 0.570 177.389 176.600 0.365 0.000 1.069 30 E CA -0.068 56.534 56.400 0.337 0.000 0.893 30 E CB 1.237 31.071 29.700 0.223 0.000 1.076 30 E HN 0.603 nan 8.360 nan 0.000 0.414 31 A N 1.344 124.383 122.820 0.365 0.000 2.366 31 A HA 0.514 4.834 4.320 -0.000 0.000 0.272 31 A C 0.168 177.902 177.584 0.249 0.000 1.135 31 A CA -0.047 52.216 52.037 0.375 0.000 0.804 31 A CB 0.561 19.818 19.000 0.428 0.000 1.064 31 A HN 0.568 nan 8.150 nan 0.000 0.499 32 G N 1.541 110.502 108.800 0.268 0.000 2.422 32 G HA2 0.485 4.445 3.960 -0.000 0.000 0.317 32 G HA3 0.485 4.445 3.960 -0.000 0.000 0.317 32 G C -0.308 174.700 174.900 0.180 0.000 1.210 32 G CA -0.476 44.729 45.100 0.175 0.000 0.930 32 G HN 0.874 nan 8.290 nan 0.000 0.468 33 Q N 2.246 122.103 119.800 0.094 0.000 2.313 33 Q HA 0.333 4.673 4.340 -0.000 0.000 0.266 33 Q C 0.354 176.359 176.000 0.009 0.000 0.989 33 Q CA 0.102 55.930 55.803 0.042 0.000 0.890 33 Q CB 0.869 29.578 28.738 -0.049 0.000 1.200 33 Q HN 0.505 nan 8.270 nan 0.000 0.396 34 I N 2.708 123.269 120.570 -0.015 0.000 3.194 34 I HA 0.266 4.436 4.170 -0.000 0.000 0.271 34 I C -0.304 175.806 176.117 -0.012 0.000 1.150 34 I CA -0.138 61.139 61.300 -0.038 0.000 1.440 34 I CB 0.397 38.336 38.000 -0.103 0.000 1.276 34 I HN 0.652 nan 8.210 nan 0.000 0.457 35 Y N 0.630 120.786 120.300 -0.241 0.000 2.457 35 Y HA 0.458 5.008 4.550 -0.000 0.000 0.322 35 Y C -2.279 173.516 175.900 -0.175 0.000 1.218 35 Y CA -1.239 56.737 58.100 -0.207 0.000 1.116 35 Y CB 1.222 39.530 38.460 -0.254 0.000 1.335 35 Y HN 0.019 nan 8.280 nan 0.000 0.452 36 Y N 5.264 124.860 120.300 -1.173 0.000 2.361 36 Y HA 0.799 5.349 4.550 -0.000 0.000 0.328 36 Y C -0.527 174.761 175.900 -1.021 0.000 1.044 36 Y CA -0.484 57.065 58.100 -0.918 0.000 1.085 36 Y CB 1.696 39.839 38.460 -0.528 0.000 1.194 36 Y HN 1.024 nan 8.280 nan 0.000 0.438 37 G N 4.863 113.055 108.800 -1.014 0.000 2.341 37 G HA2 0.347 4.307 3.960 -0.000 0.000 0.299 37 G HA3 0.347 4.307 3.960 -0.000 0.000 0.299 37 G C -3.387 171.142 174.900 -0.617 0.000 1.274 37 G CA -1.104 43.385 45.100 -1.020 0.000 0.853 37 G HN 0.292 nan 8.290 nan 0.000 0.493 38 P HA 0.236 nan 4.420 nan 0.000 0.269 38 P C 0.009 177.402 177.300 0.154 0.000 1.217 38 P CA -0.194 62.907 63.100 0.003 0.000 0.783 38 P CB 0.379 32.141 31.700 0.103 0.000 0.898 39 R N 2.337 122.928 120.500 0.151 0.000 2.585 39 R HA 0.180 4.520 4.340 -0.000 0.000 0.275 39 R C 0.249 176.597 176.300 0.079 0.000 1.018 39 R CA 0.367 56.553 56.100 0.143 0.000 1.072 39 R CB -0.564 29.789 30.300 0.088 0.000 0.953 39 R HN 0.514 nan 8.270 nan 0.000 0.419 40 I N -0.671 119.957 120.570 0.096 0.000 3.145 40 I HA 0.392 4.562 4.170 -0.000 0.000 0.313 40 I C -0.778 175.380 176.117 0.068 0.000 1.122 40 I CA -1.321 59.986 61.300 0.011 0.000 0.987 40 I CB 1.919 39.872 38.000 -0.078 0.000 1.236 40 I HN 0.602 nan 8.210 nan 0.000 0.453 41 H N 1.251 120.368 119.070 0.078 0.000 2.790 41 H HA 0.301 4.857 4.556 -0.000 0.000 0.358 41 H C -0.354 174.986 175.328 0.021 0.000 1.103 41 H CA -0.086 55.970 56.048 0.013 0.000 1.426 41 H CB 1.294 31.047 29.762 -0.014 0.000 1.424 41 H HN 0.380 nan 8.280 nan 0.000 0.599 42 V N 4.236 124.126 119.914 -0.040 0.000 2.655 42 V HA 0.030 4.150 4.120 -0.000 0.000 0.300 42 V C 0.180 176.218 176.094 -0.094 0.000 1.044 42 V CA 0.337 62.509 62.300 -0.214 0.000 1.095 42 V CB 0.719 32.239 31.823 -0.505 0.000 0.952 42 V HN 0.720 nan 8.190 nan 0.000 0.485 43 Q N 4.128 123.858 119.800 -0.116 0.000 2.377 43 Q HA 0.322 4.662 4.340 -0.000 0.000 0.279 43 Q C -2.169 173.630 176.000 -0.335 0.000 1.049 43 Q CA -1.523 54.092 55.803 -0.313 0.000 0.825 43 Q CB 2.367 30.744 28.738 -0.601 0.000 1.401 43 Q HN 0.341 nan 8.270 nan 0.000 0.404 44 P HA -0.074 nan 4.420 nan 0.000 0.216 44 P C 0.318 177.495 177.300 -0.205 0.000 1.153 44 P CA 1.291 64.275 63.100 -0.193 0.000 0.848 44 P CB 0.413 32.021 31.700 -0.153 0.000 0.787 45 T N -2.467 111.911 114.554 -0.293 0.000 2.883 45 T HA 0.484 4.834 4.350 -0.000 0.000 0.301 45 T C -1.749 172.722 174.700 -0.381 0.000 1.158 45 T CA -0.541 61.437 62.100 -0.204 0.000 1.007 45 T CB 0.677 69.485 68.868 -0.100 0.000 1.186 45 T HN -0.268 nan 8.240 nan 0.000 0.499 46 Y N 2.680 122.969 120.300 -0.018 0.000 2.553 46 Y HA 0.322 4.872 4.550 -0.000 0.000 0.369 46 Y C 1.800 177.694 175.900 -0.010 0.000 0.964 46 Y CA -0.593 57.498 58.100 -0.016 0.000 1.156 46 Y CB 0.577 39.026 38.460 -0.018 0.000 1.218 46 Y HN 0.634 nan 8.280 nan 0.000 0.630 47 Q N 0.253 120.091 119.800 0.063 0.000 2.152 47 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 47 Q C 1.820 177.854 176.000 0.056 0.000 0.985 47 Q CA 1.977 57.810 55.803 0.050 0.000 0.863 47 Q CB 0.038 28.787 28.738 0.017 0.000 0.904 47 Q HN 0.627 nan 8.270 nan 0.000 0.422 48 N N 0.170 118.906 118.700 0.060 0.000 2.062 48 N HA -0.099 4.641 4.740 -0.000 0.000 0.191 48 N C 0.522 176.062 175.510 0.050 0.000 1.042 48 N CA 0.676 53.754 53.050 0.048 0.000 0.845 48 N CB -0.107 38.406 38.487 0.043 0.000 1.024 48 N HN 0.029 nan 8.380 nan 0.000 0.424 52 Q N 0.948 120.743 119.800 -0.008 0.000 2.323 52 Q HA 0.580 4.920 4.340 -0.000 0.000 0.271 52 Q C -1.365 174.637 176.000 0.005 0.000 1.048 52 Q CA -0.678 55.107 55.803 -0.030 0.000 0.792 52 Q CB 2.839 31.561 28.738 -0.026 0.000 1.280 52 Q HN 0.611 nan 8.270 nan 0.000 0.441 53 E N 1.348 121.539 120.200 -0.015 0.000 2.288 53 E HA 0.236 4.586 4.350 -0.000 0.000 0.268 53 E C -1.280 175.363 176.600 0.072 0.000 0.885 53 E CA -0.807 55.618 56.400 0.042 0.000 0.767 53 E CB 2.216 31.927 29.700 0.019 0.000 1.220 53 E HN 0.494 nan 8.360 nan 0.000 0.427 54 W N 4.508 125.795 121.300 -0.023 0.000 2.381 54 W HA 0.100 4.760 4.660 -0.000 0.000 0.321 54 W C -0.987 175.523 176.519 -0.014 0.000 1.407 54 W CA 0.159 57.498 57.345 -0.010 0.000 1.274 54 W CB 0.521 29.988 29.460 0.011 0.000 1.310 54 W HN 0.388 nan 8.180 nan 0.000 0.551 55 R N 4.240 124.364 120.500 -0.626 0.000 2.778 55 R HA 0.262 4.602 4.340 -0.000 0.000 0.277 55 R C -0.593 175.137 176.300 -0.950 0.000 0.977 55 R CA -0.849 54.918 56.100 -0.554 0.000 0.950 55 R CB 1.216 31.335 30.300 -0.301 0.000 1.165 55 R HN 0.437 nan 8.270 nan 0.000 0.474 56 D N 0.309 120.446 120.400 -0.438 0.000 2.354 56 D HA 0.397 5.037 4.640 -0.000 0.000 0.247 56 D C 0.391 176.582 176.300 -0.181 0.000 1.138 56 D CA 0.308 54.145 54.000 -0.271 0.000 0.958 56 D CB 0.656 41.496 40.800 0.067 0.000 1.144 56 D HN 0.582 nan 8.370 nan 0.000 0.458 57 A N -0.011 122.752 122.820 -0.094 0.000 2.869 57 A HA -0.104 4.216 4.320 -0.000 0.000 0.280 57 A C 0.443 177.997 177.584 -0.049 0.000 1.458 57 A CA 1.355 53.369 52.037 -0.038 0.000 0.776 57 A CB -2.142 16.845 19.000 -0.022 0.000 1.028 57 A HN 0.522 nan 8.150 nan 0.000 0.547 58 T N -0.891 113.607 114.554 -0.094 0.000 3.105 58 T HA 0.582 4.932 4.350 -0.000 0.000 0.321 58 T C -3.130 171.552 174.700 -0.032 0.000 1.135 58 T CA -0.898 61.190 62.100 -0.020 0.000 1.053 58 T CB 1.322 70.189 68.868 -0.001 0.000 1.133 58 T HN 0.109 nan 8.240 nan 0.000 0.463 59 P HA 0.311 nan 4.420 nan 0.000 0.268 59 P C -0.914 176.425 177.300 0.065 0.000 1.208 59 P CA -0.124 63.026 63.100 0.082 0.000 0.777 59 P CB 0.462 32.226 31.700 0.108 0.000 0.875 60 S N 1.166 116.936 115.700 0.116 0.000 2.648 60 S HA 0.301 4.771 4.470 -0.000 0.000 0.305 60 S C 1.116 175.819 174.600 0.171 0.000 1.094 60 S CA -0.858 57.443 58.200 0.168 0.000 0.983 60 S CB 1.087 64.431 63.200 0.239 0.000 1.101 60 S HN 0.412 nan 8.310 nan 0.000 0.514 61 L N 1.050 122.409 121.223 0.226 0.000 1.963 61 L HA -0.225 4.115 4.340 -0.000 0.000 0.220 61 L C 0.571 177.483 176.870 0.071 0.000 1.076 61 L CA 2.313 57.228 54.840 0.125 0.000 0.772 61 L CB -0.353 41.695 42.059 -0.018 0.000 0.892 61 L HN 0.940 nan 8.230 nan 0.000 0.435 62 N N -4.058 114.687 118.700 0.074 0.000 3.587 62 N HA 0.088 4.828 4.740 -0.000 0.000 0.339 62 N C 0.141 175.701 175.510 0.082 0.000 1.636 62 N CA -0.643 52.444 53.050 0.063 0.000 0.788 62 N CB 0.055 38.558 38.487 0.027 0.000 2.205 62 N HN -0.205 nan 8.380 nan 0.000 0.600 63 E N -0.383 119.853 120.200 0.061 0.000 2.299 63 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 63 E C 0.357 176.987 176.600 0.050 0.000 0.998 63 E CA 0.730 57.166 56.400 0.059 0.000 0.851 63 E CB 0.005 29.730 29.700 0.042 0.000 0.795 63 E HN 0.564 nan 8.360 nan 0.000 0.492 64 E N 0.681 120.906 120.200 0.042 0.000 2.371 64 E HA 0.049 4.399 4.350 -0.000 0.000 0.194 64 E C 0.031 176.663 176.600 0.054 0.000 1.012 64 E CA 0.347 56.767 56.400 0.035 0.000 0.860 64 E CB 0.247 29.959 29.700 0.019 0.000 0.811 64 E HN 0.137 nan 8.360 nan 0.000 0.502 65 N N 0.445 119.193 118.700 0.080 0.000 2.790 65 N HA 0.135 4.875 4.740 -0.000 0.000 0.256 65 N C -2.431 173.200 175.510 0.203 0.000 1.409 65 N CA -1.010 52.120 53.050 0.133 0.000 0.799 65 N CB 1.701 40.261 38.487 0.122 0.000 1.170 65 N HN -0.051 nan 8.380 nan 0.000 0.507 66 P HA -0.053 nan 4.420 nan 0.000 0.218 66 P C 0.524 178.097 177.300 0.456 0.000 1.149 66 P CA 1.299 64.604 63.100 0.341 0.000 0.817 66 P CB 0.268 32.096 31.700 0.213 0.000 0.785 67 N N -2.011 116.895 118.700 0.343 0.000 2.412 67 N HA 0.014 4.754 4.740 -0.000 0.000 0.184 67 N C -0.077 175.549 175.510 0.193 0.000 1.101 67 N CA -0.271 52.952 53.050 0.288 0.000 0.881 67 N CB -0.201 38.420 38.487 0.224 0.000 0.969 67 N HN 0.066 nan 8.380 nan 0.000 0.459 68 F N 2.864 122.873 119.950 0.097 0.000 2.439 68 F HA 0.173 4.700 4.527 -0.000 0.000 0.356 68 F C -0.314 175.509 175.800 0.038 0.000 1.161 68 F CA -0.157 57.878 58.000 0.058 0.000 1.151 68 F CB 0.208 39.243 39.000 0.059 0.000 1.222 68 F HN -0.102 nan 8.300 nan 0.000 0.558 69 Q N 7.797 127.524 119.800 -0.122 0.000 2.303 69 Q HA 0.231 4.571 4.340 -0.000 0.000 0.267 69 Q C -2.012 173.890 176.000 -0.164 0.000 1.011 69 Q CA -1.849 53.910 55.803 -0.074 0.000 0.740 69 Q CB 2.045 30.713 28.738 -0.117 0.000 1.250 69 Q HN 0.364 nan 8.270 nan 0.000 0.458 70 P HA -0.208 nan 4.420 nan 0.000 0.219 70 P C 0.884 178.135 177.300 -0.083 0.000 1.146 70 P CA 1.187 64.235 63.100 -0.086 0.000 0.808 70 P CB 0.310 31.992 31.700 -0.030 0.000 0.779 71 A N -0.478 122.315 122.820 -0.045 0.000 2.019 71 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 71 A C 1.968 179.557 177.584 0.008 0.000 1.164 71 A CA 2.140 54.194 52.037 0.028 0.000 0.644 71 A CB -1.554 17.518 19.000 0.120 0.000 0.805 71 A HN 0.351 nan 8.150 nan 0.000 0.449 72 T N -3.108 111.373 114.554 -0.121 0.000 3.134 72 T HA 0.535 4.885 4.350 -0.000 0.000 0.260 72 T C 0.116 174.705 174.700 -0.185 0.000 1.027 72 T CA -0.269 61.703 62.100 -0.214 0.000 0.913 72 T CB -0.406 68.236 68.868 -0.377 0.000 1.046 72 T HN 0.200 nan 8.240 nan 0.000 0.553 73 I N 2.090 122.562 120.570 -0.164 0.000 2.355 73 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 73 I C -0.180 175.881 176.117 -0.093 0.000 0.999 73 I CA -1.140 60.060 61.300 -0.167 0.000 1.163 73 I CB 1.706 39.548 38.000 -0.263 0.000 1.316 73 I HN -0.036 nan 8.210 nan 0.000 0.454 74 K N 5.207 125.566 120.400 -0.068 0.000 2.436 74 K HA 0.343 4.663 4.320 -0.000 0.000 0.282 74 K C -0.018 176.568 176.600 -0.023 0.000 1.044 74 K CA -0.024 56.237 56.287 -0.043 0.000 1.028 74 K CB 0.652 33.128 32.500 -0.039 0.000 0.919 74 K HN 0.682 nan 8.250 nan 0.000 0.474 75 A N 2.485 125.294 122.820 -0.020 0.000 2.322 75 A HA 0.292 4.612 4.320 -0.000 0.000 0.327 75 A C 0.476 178.065 177.584 0.008 0.000 1.134 75 A CA -0.564 51.476 52.037 0.005 0.000 0.831 75 A CB 1.216 20.214 19.000 -0.003 0.000 1.288 75 A HN 0.778 nan 8.150 nan 0.000 0.472 76 E N -1.229 118.989 120.200 0.031 0.000 2.340 76 E HA 0.160 4.510 4.350 -0.000 0.000 0.198 76 E C -1.154 175.516 176.600 0.117 0.000 0.961 76 E CA 0.687 57.103 56.400 0.028 0.000 0.905 76 E CB 0.251 29.909 29.700 -0.070 0.000 0.884 76 E HN 0.513 nan 8.360 nan 0.000 0.491 77 Y N -0.293 119.971 120.300 -0.060 0.000 2.462 77 Y HA 0.480 5.030 4.550 -0.000 0.000 0.316 77 Y C -1.313 174.634 175.900 0.078 0.000 1.163 77 Y CA -0.588 57.500 58.100 -0.019 0.000 1.421 77 Y CB 0.251 38.633 38.460 -0.131 0.000 1.149 77 Y HN 0.069 nan 8.280 nan 0.000 0.513 78 A N 2.137 124.923 122.820 -0.057 0.000 2.279 78 A HA 0.826 5.146 4.320 -0.000 0.000 0.303 78 A C -0.048 177.393 177.584 -0.240 0.000 1.108 78 A CA 0.090 52.092 52.037 -0.058 0.000 0.830 78 A CB 0.639 19.584 19.000 -0.092 0.000 1.106 78 A HN 0.731 nan 8.150 nan 0.000 0.493 79 S N 0.251 115.778 115.700 -0.288 0.000 2.704 79 S HA 0.714 5.184 4.470 -0.000 0.000 0.305 79 S C -0.627 173.767 174.600 -0.344 0.000 1.107 79 S CA -0.646 57.210 58.200 -0.573 0.000 0.993 79 S CB 1.143 64.025 63.200 -0.529 0.000 1.110 79 S HN 1.307 nan 8.310 nan 0.000 0.534 80 L N 0.601 121.622 121.223 -0.336 0.000 2.307 80 L HA 0.780 5.120 4.340 -0.000 0.000 0.284 80 L C 0.668 177.413 176.870 -0.209 0.000 1.023 80 L CA 1.179 55.869 54.840 -0.249 0.000 0.810 80 L CB 0.884 42.829 42.059 -0.190 0.000 1.231 80 L HN 1.177 nan 8.230 nan 0.000 0.423 81 G N 3.319 111.972 108.800 -0.245 0.000 2.485 81 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.181 81 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.181 81 G C 0.585 175.380 174.900 -0.175 0.000 0.999 81 G CA -0.170 44.825 45.100 -0.175 0.000 0.721 81 G HN 0.484 nan 8.290 nan 0.000 0.486 82 K N 0.586 120.862 120.400 -0.206 0.000 2.455 82 K HA 0.461 4.781 4.320 -0.000 0.000 0.206 82 K C 1.505 178.012 176.600 -0.155 0.000 1.027 82 K CA 0.509 56.721 56.287 -0.125 0.000 1.113 82 K CB 1.227 33.694 32.500 -0.056 0.000 0.850 82 K HN 1.144 nan 8.250 nan 0.000 0.503 83 G N 1.285 109.877 108.800 -0.347 0.000 2.253 83 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.209 83 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.209 83 G C -0.260 174.378 174.900 -0.437 0.000 0.997 83 G CA -0.310 44.597 45.100 -0.322 0.000 0.640 83 G HN 0.329 nan 8.290 nan 0.000 0.496 84 D N -0.153 119.981 120.400 -0.444 0.000 2.277 84 D HA 0.627 5.267 4.640 -0.000 0.000 0.249 84 D C 0.424 176.408 176.300 -0.527 0.000 1.134 84 D CA -0.546 53.257 54.000 -0.329 0.000 0.863 84 D CB 0.506 41.191 40.800 -0.193 0.000 1.143 84 D HN 0.014 nan 8.370 nan 0.000 0.458 85 F N 1.792 121.719 119.950 -0.039 0.000 2.682 85 F HA 0.279 4.806 4.527 -0.000 0.000 0.308 85 F C 1.482 177.247 175.800 -0.059 0.000 1.093 85 F CA -0.388 57.582 58.000 -0.049 0.000 1.244 85 F CB 0.217 39.192 39.000 -0.043 0.000 1.052 85 F HN 0.016 nan 8.300 nan 0.000 0.573 86 R N 0.417 120.950 120.500 0.055 0.000 2.840 86 R HA 0.116 4.456 4.340 -0.000 0.000 0.282 86 R C 0.477 176.753 176.300 -0.040 0.000 1.133 86 R CA -0.458 55.644 56.100 0.002 0.000 1.208 86 R CB 0.192 30.479 30.300 -0.022 0.000 1.160 86 R HN -0.014 nan 8.270 nan 0.000 0.576 87 Q N 1.788 121.552 119.800 -0.059 0.000 2.364 87 Q HA 0.166 4.506 4.340 -0.000 0.000 0.267 87 Q C -2.022 173.901 176.000 -0.128 0.000 0.999 87 Q CA -1.257 54.495 55.803 -0.085 0.000 0.886 87 Q CB 0.641 29.329 28.738 -0.083 0.000 1.243 87 Q HN 0.380 nan 8.270 nan 0.000 0.415 88 P HA 0.239 nan 4.420 nan 0.000 0.285 88 P C -0.631 176.518 177.300 -0.252 0.000 1.269 88 P CA -0.269 62.683 63.100 -0.246 0.000 0.844 88 P CB 1.065 32.571 31.700 -0.323 0.000 1.094 89 A N 1.511 124.128 122.820 -0.338 0.000 2.016 89 A HA 0.215 4.535 4.320 -0.000 0.000 0.217 89 A C 0.693 178.157 177.584 -0.200 0.000 1.162 89 A CA 1.066 52.857 52.037 -0.410 0.000 0.662 89 A CB -0.824 17.591 19.000 -0.974 0.000 0.812 89 A HN 0.661 nan 8.150 nan 0.000 0.450 90 F N -3.569 116.235 119.950 -0.243 0.000 2.711 90 F HA 0.734 5.261 4.527 -0.000 0.000 0.313 90 F C -1.129 174.672 175.800 0.002 0.000 1.141 90 F CA -1.194 56.795 58.000 -0.018 0.000 0.941 90 F CB 1.040 40.205 39.000 0.275 0.000 1.349 90 F HN 0.009 nan 8.300 nan 0.000 0.464 91 Q N 1.603 121.446 119.800 0.072 0.000 2.386 91 Q HA 0.679 5.019 4.340 -0.000 0.000 0.274 91 Q C -2.421 173.674 176.000 0.158 0.000 1.011 91 Q CA -0.886 54.894 55.803 -0.039 0.000 0.867 91 Q CB 3.195 31.875 28.738 -0.097 0.000 1.409 91 Q HN 0.807 nan 8.270 nan 0.000 0.395 92 V N 1.964 121.976 119.914 0.163 0.000 2.577 92 V HA 0.502 4.622 4.120 -0.000 0.000 0.303 92 V C -0.486 175.653 176.094 0.076 0.000 1.042 92 V CA -0.686 61.701 62.300 0.145 0.000 0.872 92 V CB 1.814 33.778 31.823 0.234 0.000 0.998 92 V HN 0.820 nan 8.190 nan 0.000 0.423 93 T N 4.757 119.333 114.554 0.036 0.000 2.799 93 T HA 0.467 4.817 4.350 -0.000 0.000 0.286 93 T C -0.041 174.672 174.700 0.022 0.000 0.973 93 T CA -0.382 61.729 62.100 0.018 0.000 1.035 93 T CB 1.300 70.164 68.868 -0.007 0.000 0.932 93 T HN 0.709 nan 8.240 nan 0.000 0.469 94 Q N 0.888 120.703 119.800 0.025 0.000 2.222 94 Q HA 0.553 4.893 4.340 -0.000 0.000 0.211 94 Q C 1.678 177.685 176.000 0.012 0.000 1.013 94 Q CA -0.722 55.096 55.803 0.025 0.000 0.993 94 Q CB 0.461 29.218 28.738 0.032 0.000 1.151 94 Q HN 0.763 nan 8.270 nan 0.000 0.544 95 A N 1.184 124.011 122.820 0.012 0.000 2.019 95 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 95 A C 1.410 178.997 177.584 0.004 0.000 1.164 95 A CA 1.943 53.983 52.037 0.005 0.000 0.644 95 A CB -0.619 18.385 19.000 0.007 0.000 0.805 95 A HN 0.802 nan 8.150 nan 0.000 0.449 96 N N -1.863 116.843 118.700 0.009 0.000 2.353 96 N HA 0.240 4.979 4.740 -0.000 0.000 0.185 96 N C 1.065 176.580 175.510 0.007 0.000 1.098 96 N CA 1.392 54.448 53.050 0.009 0.000 0.872 96 N CB -0.027 38.468 38.487 0.013 0.000 0.970 96 N HN 0.733 nan 8.380 nan 0.000 0.467 97 G N -0.484 108.320 108.800 0.006 0.000 2.232 97 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.226 97 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.226 97 G C -0.016 174.888 174.900 0.007 0.000 0.996 97 G CA 0.214 45.317 45.100 0.004 0.000 0.626 97 G HN 0.644 nan 8.290 nan 0.000 0.509 98 S N 0.204 115.912 115.700 0.013 0.000 2.549 98 S HA 0.466 4.936 4.470 -0.000 0.000 0.286 98 S C 1.324 175.935 174.600 0.018 0.000 1.314 98 S CA 0.699 58.909 58.200 0.016 0.000 1.062 98 S CB 0.534 63.747 63.200 0.022 0.000 0.865 98 S HN 0.465 nan 8.310 nan 0.000 0.498 99 R N 2.581 123.089 120.500 0.012 0.000 2.543 99 R HA 0.271 4.611 4.340 -0.000 0.000 0.323 99 R C -0.410 175.893 176.300 0.005 0.000 1.002 99 R CA -0.466 55.639 56.100 0.008 0.000 1.106 99 R CB 0.277 30.570 30.300 -0.011 0.000 1.280 99 R HN 0.480 nan 8.270 nan 0.000 0.549 100 I N 1.365 121.945 120.570 0.016 0.000 2.575 100 I HA 0.122 4.292 4.170 -0.000 0.000 0.285 100 I C 0.459 176.612 176.117 0.059 0.000 1.085 100 I CA 0.485 61.796 61.300 0.018 0.000 1.403 100 I CB 1.100 39.112 38.000 0.020 0.000 1.409 100 I HN -0.095 nan 8.210 nan 0.000 0.557 101 T N 5.753 120.351 114.554 0.073 0.000 2.928 101 T HA 0.337 4.687 4.350 -0.000 0.000 0.296 101 T C -0.398 174.391 174.700 0.150 0.000 1.000 101 T CA -0.620 61.575 62.100 0.158 0.000 0.989 101 T CB 1.337 70.396 68.868 0.317 0.000 1.005 101 T HN 0.453 nan 8.240 nan 0.000 0.442 102 E N 3.046 123.331 120.200 0.141 0.000 2.256 102 E HA 0.338 4.688 4.350 -0.000 0.000 0.243 102 E C -0.304 176.386 176.600 0.151 0.000 0.925 102 E CA -0.372 56.105 56.400 0.129 0.000 0.748 102 E CB 0.857 30.614 29.700 0.095 0.000 1.206 102 E HN 0.472 nan 8.360 nan 0.000 0.428 103 L N 2.059 123.386 121.223 0.173 0.000 2.456 103 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 103 L C 0.182 177.203 176.870 0.252 0.000 1.189 103 L CA 0.524 55.470 54.840 0.177 0.000 0.846 103 L CB 0.563 42.655 42.059 0.055 0.000 1.111 103 L HN 0.405 nan 8.230 nan 0.000 0.475 104 T N 1.798 116.546 114.554 0.324 0.000 3.031 104 T HA 0.172 4.522 4.350 -0.000 0.000 0.305 104 T C -0.721 174.180 174.700 0.335 0.000 0.985 104 T CA -0.520 61.770 62.100 0.317 0.000 1.008 104 T CB 0.655 69.632 68.868 0.182 0.000 1.005 104 T HN 0.319 nan 8.240 nan 0.000 0.444 105 Y N 2.911 123.328 120.300 0.195 0.000 2.805 105 Y HA 0.133 4.683 4.550 -0.000 0.000 0.337 105 Y C 0.988 176.821 175.900 -0.110 0.000 1.252 105 Y CA 0.727 58.677 58.100 -0.250 0.000 1.515 105 Y CB 0.653 38.969 38.460 -0.240 0.000 1.305 105 Y HN 0.809 nan 8.280 nan 0.000 0.600 106 D N 1.923 121.745 120.400 -0.963 0.000 2.932 106 D HA 0.029 4.669 4.640 -0.000 0.000 0.294 106 D C -0.753 175.051 176.300 -0.825 0.000 1.119 106 D CA 0.980 54.606 54.000 -0.624 0.000 0.980 106 D CB 0.295 40.968 40.800 -0.212 0.000 1.361 106 D HN 0.734 nan 8.370 nan 0.000 0.466 107 H N -2.151 116.266 119.070 -1.089 0.000 3.003 107 H HA 0.327 4.883 4.556 -0.000 0.000 0.327 107 H C -1.706 173.505 175.328 -0.195 0.000 1.353 107 H CA -0.931 54.791 56.048 -0.542 0.000 1.142 107 H CB 0.223 29.806 29.762 -0.297 0.000 1.864 107 H HN 0.137 nan 8.280 nan 0.000 0.529 108 Y N 0.539 120.880 120.300 0.068 0.000 2.633 108 Y HA 0.648 5.198 4.550 -0.000 0.000 0.339 108 Y C -1.183 174.813 175.900 0.160 0.000 1.045 108 Y CA -1.006 57.139 58.100 0.076 0.000 1.098 108 Y CB 2.263 40.895 38.460 0.286 0.000 1.296 108 Y HN 0.863 nan 8.280 nan 0.000 0.494 109 Q N 2.315 122.278 119.800 0.271 0.000 2.345 109 Q HA 0.533 4.873 4.340 -0.000 0.000 0.275 109 Q C -2.421 173.758 176.000 0.298 0.000 1.063 109 Q CA -0.977 54.918 55.803 0.153 0.000 0.819 109 Q CB 2.595 31.390 28.738 0.095 0.000 1.356 109 Q HN 0.990 nan 8.270 nan 0.000 0.418 110 L N 5.590 126.954 121.223 0.236 0.000 2.343 110 L HA 0.530 4.870 4.340 -0.000 0.000 0.278 110 L C -1.332 175.592 176.870 0.089 0.000 0.996 110 L CA -0.532 54.421 54.840 0.189 0.000 0.831 110 L CB 1.122 43.315 42.059 0.225 0.000 1.232 110 L HN 0.710 nan 8.230 nan 0.000 0.413 111 L N 2.718 123.975 121.223 0.057 0.000 2.335 111 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 111 L C 0.124 176.994 176.870 -0.001 0.000 1.016 111 L CA -0.637 54.218 54.840 0.025 0.000 0.805 111 L CB 2.014 44.086 42.059 0.021 0.000 1.311 111 L HN 0.415 nan 8.230 nan 0.000 0.456 112 T N -0.108 114.440 114.554 -0.010 0.000 2.888 112 T HA 0.604 4.954 4.350 -0.000 0.000 0.284 112 T C 0.217 174.896 174.700 -0.035 0.000 1.017 112 T CA 0.472 62.554 62.100 -0.029 0.000 1.022 112 T CB 1.644 70.501 68.868 -0.019 0.000 1.013 112 T HN 0.992 nan 8.240 nan 0.000 0.465 113 G N 2.466 111.223 108.800 -0.071 0.000 2.552 113 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.265 113 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.265 113 G C -0.556 174.289 174.900 -0.091 0.000 1.234 113 G CA 0.595 45.649 45.100 -0.078 0.000 0.944 113 G HN 0.942 nan 8.290 nan 0.000 0.568 114 K N -0.323 120.074 120.400 -0.004 0.000 2.579 114 K HA 0.464 4.784 4.320 -0.000 0.000 0.257 114 K C -0.723 175.956 176.600 0.133 0.000 0.950 114 K CA -0.349 55.967 56.287 0.049 0.000 0.862 114 K CB 1.141 33.676 32.500 0.059 0.000 1.317 114 K HN 0.694 nan 8.250 nan 0.000 0.436 115 Q N 3.098 122.961 119.800 0.106 0.000 2.222 115 Q HA 0.433 4.773 4.340 -0.000 0.000 0.252 115 Q C -0.213 175.866 176.000 0.131 0.000 0.926 115 Q CA -0.933 54.937 55.803 0.112 0.000 0.899 115 Q CB 1.424 30.198 28.738 0.061 0.000 1.250 115 Q HN 0.528 nan 8.270 nan 0.000 0.441 116 R N 0.483 121.068 120.500 0.142 0.000 2.873 116 R HA 0.072 4.412 4.340 -0.000 0.000 0.267 116 R C 0.177 176.501 176.300 0.040 0.000 1.009 116 R CA 0.193 56.364 56.100 0.117 0.000 1.152 116 R CB 0.208 30.563 30.300 0.093 0.000 1.047 116 R HN 0.414 nan 8.270 nan 0.000 0.470 117 L N 1.291 122.506 121.223 -0.013 0.000 2.421 117 L HA 0.175 4.515 4.340 -0.000 0.000 0.263 117 L C 1.433 178.278 176.870 -0.042 0.000 1.122 117 L CA -0.162 54.653 54.840 -0.043 0.000 0.804 117 L CB 1.242 43.251 42.059 -0.084 0.000 1.150 117 L HN 0.814 nan 8.230 nan 0.000 0.457 118 A N 2.215 125.017 122.820 -0.029 0.000 1.845 118 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 118 A C 1.472 179.052 177.584 -0.007 0.000 1.195 118 A CA 2.114 54.145 52.037 -0.010 0.000 0.616 118 A CB -0.536 18.463 19.000 -0.002 0.000 0.832 118 A HN 0.936 nan 8.150 nan 0.000 0.443 119 N N -1.888 116.804 118.700 -0.013 0.000 2.171 119 N HA 0.392 5.132 4.740 -0.000 0.000 0.212 119 N C -0.631 174.885 175.510 0.009 0.000 1.184 119 N CA -0.174 52.886 53.050 0.017 0.000 0.888 119 N CB 0.795 39.305 38.487 0.039 0.000 1.038 119 N HN 0.297 nan 8.380 nan 0.000 0.517 120 L N 1.471 122.642 121.223 -0.087 0.000 2.342 120 L HA 0.554 4.894 4.340 -0.000 0.000 0.271 120 L C -2.234 174.344 176.870 -0.485 0.000 1.008 120 L CA -2.356 52.366 54.840 -0.197 0.000 0.818 120 L CB 1.798 43.794 42.059 -0.105 0.000 1.296 120 L HN -0.155 nan 8.230 nan 0.000 0.427 121 P HA 0.075 nan 4.420 nan 0.000 0.266 121 P C -0.892 175.936 177.300 -0.787 0.000 1.195 121 P CA 0.100 62.390 63.100 -1.350 0.000 0.768 121 P CB 1.012 32.091 31.700 -1.034 0.000 0.838 122 S N 0.404 115.676 115.700 -0.714 0.000 2.683 122 S HA 0.557 5.027 4.470 -0.000 0.000 0.269 122 S C -0.710 173.975 174.600 0.142 0.000 1.165 122 S CA -0.819 57.284 58.200 -0.162 0.000 0.840 122 S CB 0.676 63.804 63.200 -0.120 0.000 1.169 122 S HN 0.546 nan 8.310 nan 0.000 0.490 123 T N 0.044 114.679 114.554 0.134 0.000 2.902 123 T HA 0.819 5.169 4.350 -0.000 0.000 0.283 123 T C -0.558 174.278 174.700 0.227 0.000 1.009 123 T CA -0.673 61.460 62.100 0.056 0.000 1.051 123 T CB 0.489 69.381 68.868 0.040 0.000 0.999 123 T HN 1.223 nan 8.240 nan 0.000 0.474 124 F N -1.010 119.061 119.950 0.202 0.000 2.631 124 F HA 0.732 5.259 4.527 -0.000 0.000 0.308 124 F C -1.251 174.772 175.800 0.372 0.000 1.097 124 F CA -1.444 56.696 58.000 0.232 0.000 0.952 124 F CB 1.516 40.607 39.000 0.151 0.000 1.307 124 F HN 0.486 nan 8.300 nan 0.000 0.450 125 D N 1.136 121.807 120.400 0.451 0.000 2.462 125 D HA 0.282 4.922 4.640 -0.000 0.000 0.249 125 D C -0.721 175.789 176.300 0.350 0.000 1.117 125 D CA -0.245 54.005 54.000 0.416 0.000 0.900 125 D CB 0.526 41.393 40.800 0.111 0.000 1.039 125 D HN 0.566 nan 8.370 nan 0.000 0.516 126 D N 1.907 122.553 120.400 0.410 0.000 2.462 126 D HA 0.056 4.696 4.640 -0.000 0.000 0.221 126 D C 0.645 177.043 176.300 0.164 0.000 1.173 126 D CA 0.238 54.376 54.000 0.229 0.000 0.831 126 D CB 0.823 41.726 40.800 0.171 0.000 1.001 126 D HN 0.404 nan 8.370 nan 0.000 0.499 127 T N -2.132 112.541 114.554 0.199 0.000 3.252 127 T HA 0.065 4.415 4.350 -0.000 0.000 0.286 127 T C 0.235 175.013 174.700 0.129 0.000 1.013 127 T CA -0.518 61.656 62.100 0.125 0.000 0.914 127 T CB 0.483 69.396 68.868 0.076 0.000 1.131 127 T HN -0.228 nan 8.240 nan 0.000 0.529 128 D N 1.924 122.401 120.400 0.129 0.000 3.003 128 D HA -0.173 4.467 4.640 -0.000 0.000 0.223 128 D C -0.224 176.155 176.300 0.132 0.000 1.204 128 D CA 0.742 54.802 54.000 0.100 0.000 0.828 128 D CB -1.175 39.662 40.800 0.062 0.000 0.918 128 D HN 0.564 nan 8.370 nan 0.000 0.401 129 D N 1.106 121.612 120.400 0.176 0.000 2.620 129 D HA 0.110 4.750 4.640 -0.000 0.000 0.260 129 D C -0.232 176.189 176.300 0.201 0.000 1.367 129 D CA 0.124 54.284 54.000 0.266 0.000 0.805 129 D CB 0.229 41.287 40.800 0.430 0.000 1.096 129 D HN 0.279 nan 8.370 nan 0.000 0.488 130 D N -0.614 119.837 120.400 0.085 0.000 3.068 130 D HA -0.163 4.477 4.640 -0.000 0.000 0.218 130 D C 0.213 176.423 176.300 -0.149 0.000 1.145 130 D CA 0.989 54.986 54.000 -0.004 0.000 0.896 130 D CB -1.709 39.130 40.800 0.065 0.000 1.105 130 D HN 0.418 nan 8.370 nan 0.000 0.423 131 A N -0.145 122.531 122.820 -0.239 0.000 2.366 131 A HA 0.516 4.836 4.320 -0.000 0.000 0.249 131 A C 0.489 177.881 177.584 -0.320 0.000 1.084 131 A CA 0.151 51.892 52.037 -0.493 0.000 0.794 131 A CB 0.797 19.194 19.000 -1.004 0.000 1.034 131 A HN 0.127 nan 8.150 nan 0.000 0.491 132 Q N -0.436 119.172 119.800 -0.321 0.000 2.379 132 Q HA 0.502 4.842 4.340 -0.000 0.000 0.278 132 Q C -1.537 174.383 176.000 -0.134 0.000 1.068 132 Q CA -0.626 55.076 55.803 -0.169 0.000 0.816 132 Q CB 2.565 31.236 28.738 -0.112 0.000 1.387 132 Q HN 0.682 nan 8.270 nan 0.000 0.413 133 T N 1.805 116.324 114.554 -0.059 0.000 2.792 133 T HA 0.493 4.843 4.350 -0.000 0.000 0.280 133 T C -1.096 173.631 174.700 0.046 0.000 0.990 133 T CA -0.550 61.546 62.100 -0.007 0.000 0.960 133 T CB 0.873 69.742 68.868 0.001 0.000 0.939 133 T HN 0.332 nan 8.240 nan 0.000 0.439 134 L N 4.809 126.085 121.223 0.088 0.000 2.296 134 L HA 0.718 5.058 4.340 -0.000 0.000 0.286 134 L C -1.063 175.901 176.870 0.156 0.000 1.023 134 L CA -0.474 54.444 54.840 0.129 0.000 0.812 134 L CB 1.155 43.276 42.059 0.105 0.000 1.223 134 L HN 0.455 nan 8.230 nan 0.000 0.421 135 V N 6.028 126.025 119.914 0.138 0.000 2.378 135 V HA 0.446 4.566 4.120 -0.000 0.000 0.288 135 V C -0.452 175.679 176.094 0.063 0.000 1.016 135 V CA -0.661 61.691 62.300 0.087 0.000 0.840 135 V CB 1.630 33.477 31.823 0.041 0.000 0.994 135 V HN 0.498 nan 8.190 nan 0.000 0.431 136 V N 4.233 124.180 119.914 0.054 0.000 2.293 136 V HA 0.373 4.493 4.120 -0.000 0.000 0.275 136 V C 0.292 176.337 176.094 -0.081 0.000 1.021 136 V CA -0.163 62.129 62.300 -0.013 0.000 0.815 136 V CB 1.475 33.318 31.823 0.032 0.000 1.025 136 V HN 0.895 nan 8.190 nan 0.000 0.448 137 S N 5.171 120.650 115.700 -0.367 0.000 2.525 137 S HA 0.795 5.264 4.470 -0.000 0.000 0.278 137 S C -0.634 173.680 174.600 -0.476 0.000 1.234 137 S CA -0.263 57.717 58.200 -0.367 0.000 1.058 137 S CB 0.879 63.729 63.200 -0.584 0.000 0.983 137 S HN 0.428 nan 8.310 nan 0.000 0.495 138 F N 1.267 121.110 119.950 -0.179 0.000 2.631 138 F HA 0.549 5.076 4.527 -0.000 0.000 0.328 138 F C 0.281 176.030 175.800 -0.086 0.000 1.067 138 F CA -1.128 56.813 58.000 -0.099 0.000 0.969 138 F CB 1.561 40.532 39.000 -0.048 0.000 1.332 138 F HN 0.445 nan 8.300 nan 0.000 0.490 139 N N -0.525 118.273 118.700 0.165 0.000 2.235 139 N HA 0.261 5.001 4.740 -0.000 0.000 0.293 139 N C -2.223 173.359 175.510 0.120 0.000 1.083 139 N CA -0.827 52.283 53.050 0.100 0.000 0.801 139 N CB 1.880 40.404 38.487 0.061 0.000 1.559 139 N HN 0.477 nan 8.380 nan 0.000 0.472 140 D N 0.711 121.171 120.400 0.099 0.000 2.325 140 D HA 0.147 4.787 4.640 -0.000 0.000 0.251 140 D C 0.776 177.131 176.300 0.091 0.000 1.196 140 D CA -0.064 54.001 54.000 0.108 0.000 0.866 140 D CB 0.757 41.626 40.800 0.115 0.000 1.101 140 D HN 0.376 nan 8.370 nan 0.000 0.476 141 R N 3.168 123.722 120.500 0.090 0.000 2.249 141 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 141 R C 1.349 177.687 176.300 0.064 0.000 1.121 141 R CA 0.880 57.023 56.100 0.072 0.000 0.997 141 R CB 0.029 30.370 30.300 0.069 0.000 0.867 141 R HN 0.615 nan 8.270 nan 0.000 0.465 142 I N -0.812 119.802 120.570 0.073 0.000 2.927 142 I HA -0.090 4.080 4.170 -0.000 0.000 0.268 142 I C 2.015 178.170 176.117 0.064 0.000 1.153 142 I CA 1.209 62.548 61.300 0.065 0.000 1.459 142 I CB 0.157 38.198 38.000 0.069 0.000 1.149 142 I HN 0.183 nan 8.210 nan 0.000 0.443 143 T N -3.635 110.964 114.554 0.075 0.000 2.975 143 T HA 0.341 4.691 4.350 -0.000 0.000 0.261 143 T C 1.502 176.244 174.700 0.069 0.000 0.984 143 T CA 0.583 62.727 62.100 0.072 0.000 0.911 143 T CB 1.076 69.996 68.868 0.086 0.000 1.127 143 T HN 0.404 nan 8.240 nan 0.000 0.514 144 G N 1.648 110.491 108.800 0.071 0.000 2.199 144 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 144 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 144 G C 0.052 174.994 174.900 0.071 0.000 0.982 144 G CA 0.129 45.267 45.100 0.064 0.000 0.632 144 G HN 0.934 nan 8.290 nan 0.000 0.529 145 L N 1.241 122.516 121.223 0.087 0.000 2.573 145 L HA 0.503 4.843 4.340 -0.000 0.000 0.290 145 L C 0.631 177.543 176.870 0.071 0.000 1.247 145 L CA 0.930 55.830 54.840 0.101 0.000 0.876 145 L CB 0.537 42.681 42.059 0.142 0.000 1.123 145 L HN 1.017 nan 8.230 nan 0.000 0.505 146 A N 5.597 128.450 122.820 0.056 0.000 2.337 146 A HA 0.726 5.046 4.320 -0.000 0.000 0.329 146 A C -1.272 176.263 177.584 -0.082 0.000 1.146 146 A CA -0.637 51.405 52.037 0.010 0.000 0.800 146 A CB 1.343 20.357 19.000 0.023 0.000 1.220 146 A HN 0.751 nan 8.150 nan 0.000 0.472 147 L N 1.763 122.893 121.223 -0.155 0.000 2.376 147 L HA 0.582 4.922 4.340 -0.000 0.000 0.275 147 L C -1.651 175.076 176.870 -0.238 0.000 0.987 147 L CA -0.333 54.273 54.840 -0.390 0.000 0.828 147 L CB 1.829 43.517 42.059 -0.619 0.000 1.249 147 L HN 0.581 nan 8.230 nan 0.000 0.409 148 D N 5.755 125.988 120.400 -0.278 0.000 2.274 148 D HA 0.392 5.032 4.640 -0.000 0.000 0.239 148 D C -0.481 175.652 176.300 -0.279 0.000 1.104 148 D CA 0.200 54.086 54.000 -0.190 0.000 0.840 148 D CB 1.794 42.513 40.800 -0.135 0.000 1.100 148 D HN 0.458 nan 8.370 nan 0.000 0.477 149 L N 3.369 124.483 121.223 -0.182 0.000 2.257 149 L HA 0.306 4.646 4.340 -0.000 0.000 0.290 149 L C 0.203 176.959 176.870 -0.191 0.000 1.044 149 L CA -0.679 53.992 54.840 -0.281 0.000 0.810 149 L CB 0.553 42.516 42.059 -0.160 0.000 1.193 149 L HN 0.128 nan 8.230 nan 0.000 0.425 150 N N 3.352 121.841 118.700 -0.353 0.000 2.456 150 N HA 0.494 5.234 4.740 -0.000 0.000 0.296 150 N C -1.273 173.970 175.510 -0.446 0.000 1.102 150 N CA -0.366 52.547 53.050 -0.228 0.000 0.924 150 N CB 1.989 40.377 38.487 -0.167 0.000 1.186 150 N HN 0.329 nan 8.380 nan 0.000 0.492 151 Y N -0.445 119.795 120.300 -0.099 0.000 2.287 151 Y HA 0.178 4.728 4.550 -0.000 0.000 0.325 151 Y C -0.639 175.213 175.900 -0.081 0.000 1.139 151 Y CA -0.662 57.363 58.100 -0.124 0.000 1.167 151 Y CB 1.310 39.699 38.460 -0.118 0.000 1.158 151 Y HN 0.292 nan 8.280 nan 0.000 0.434 152 S N 4.491 120.226 115.700 0.057 0.000 2.433 152 S HA 0.540 5.010 4.470 -0.000 0.000 0.310 152 S C -0.124 174.482 174.600 0.009 0.000 1.097 152 S CA -0.646 57.565 58.200 0.017 0.000 1.103 152 S CB 0.812 64.047 63.200 0.060 0.000 0.992 152 S HN 0.486 nan 8.310 nan 0.000 0.469 153 I N 3.193 123.709 120.570 -0.090 0.000 2.441 153 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 153 I C -0.862 175.107 176.117 -0.246 0.000 1.049 153 I CA 0.003 61.253 61.300 -0.084 0.000 1.381 153 I CB 0.527 38.484 38.000 -0.071 0.000 1.409 153 I HN 0.614 nan 8.210 nan 0.000 0.523 154 F N 8.093 127.990 119.950 -0.089 0.000 2.531 154 F HA 0.294 4.821 4.527 -0.000 0.000 0.333 154 F C -1.422 174.322 175.800 -0.095 0.000 1.292 154 F CA -1.501 56.448 58.000 -0.084 0.000 1.184 154 F CB 0.514 39.515 39.000 0.001 0.000 1.426 154 F HN 0.343 nan 8.300 nan 0.000 0.559 155 P HA -0.245 nan 4.420 nan 0.000 0.216 155 P C 1.139 178.370 177.300 -0.115 0.000 1.150 155 P CA 1.811 64.806 63.100 -0.176 0.000 0.843 155 P CB 0.131 31.596 31.700 -0.393 0.000 0.787 156 H N -0.917 118.242 119.070 0.149 0.000 2.551 156 H HA 0.127 4.683 4.556 -0.000 0.000 0.266 156 H C 1.054 176.480 175.328 0.163 0.000 0.977 156 H CA 0.817 56.951 56.048 0.144 0.000 1.163 156 H CB -0.041 29.806 29.762 0.141 0.000 1.381 156 H HN 0.290 nan 8.280 nan 0.000 0.581 157 Q N -0.154 119.795 119.800 0.247 0.000 2.171 157 Q HA 0.110 4.450 4.340 -0.000 0.000 0.218 157 Q C -0.136 175.917 176.000 0.088 0.000 0.822 157 Q CA -0.123 55.781 55.803 0.169 0.000 0.987 157 Q CB 0.913 29.769 28.738 0.197 0.000 1.144 157 Q HN 0.062 nan 8.270 nan 0.000 0.494 158 D N -0.797 119.675 120.400 0.120 0.000 3.012 158 D HA -0.142 4.498 4.640 -0.000 0.000 0.222 158 D C -0.861 175.460 176.300 0.035 0.000 1.167 158 D CA 0.534 54.602 54.000 0.113 0.000 0.854 158 D CB -1.144 39.751 40.800 0.159 0.000 1.107 158 D HN 0.116 nan 8.370 nan 0.000 0.421 159 V N 1.097 120.970 119.914 -0.068 0.000 2.439 159 V HA 0.424 4.544 4.120 -0.000 0.000 0.282 159 V C 0.918 176.937 176.094 -0.124 0.000 1.039 159 V CA -0.442 61.696 62.300 -0.270 0.000 0.913 159 V CB 1.861 33.146 31.823 -0.897 0.000 0.983 159 V HN 0.013 nan 8.190 nan 0.000 0.460 160 I N 4.919 125.417 120.570 -0.120 0.000 2.406 160 I HA 0.440 4.610 4.170 -0.000 0.000 0.290 160 I C -0.535 175.501 176.117 -0.135 0.000 0.999 160 I CA -0.642 60.603 61.300 -0.092 0.000 1.124 160 I CB 2.052 39.944 38.000 -0.180 0.000 1.289 160 I HN 0.274 nan 8.210 nan 0.000 0.441 161 V N 6.825 126.710 119.914 -0.049 0.000 2.435 161 V HA 0.430 4.550 4.120 -0.000 0.000 0.290 161 V C -0.083 175.949 176.094 -0.103 0.000 1.030 161 V CA -0.673 61.598 62.300 -0.049 0.000 0.881 161 V CB 1.607 33.484 31.823 0.090 0.000 0.983 161 V HN 0.642 nan 8.190 nan 0.000 0.445 162 K N 2.705 123.012 120.400 -0.154 0.000 2.318 162 K HA 0.839 5.159 4.320 -0.000 0.000 0.249 162 K C -0.464 176.003 176.600 -0.223 0.000 0.942 162 K CA -0.478 55.635 56.287 -0.290 0.000 0.808 162 K CB 2.295 34.579 32.500 -0.361 0.000 1.189 162 K HN 0.885 nan 8.250 nan 0.000 0.428 163 S N -0.150 115.374 115.700 -0.294 0.000 2.752 163 S HA 0.858 5.328 4.470 -0.000 0.000 0.284 163 S C -1.675 172.744 174.600 -0.302 0.000 1.189 163 S CA -0.936 57.128 58.200 -0.227 0.000 0.835 163 S CB 1.720 64.819 63.200 -0.169 0.000 1.192 163 S HN 0.668 nan 8.310 nan 0.000 0.506 164 A N 0.440 123.119 122.820 -0.236 0.000 2.486 164 A HA 0.846 5.166 4.320 -0.000 0.000 0.300 164 A C -1.129 176.352 177.584 -0.170 0.000 1.048 164 A CA -0.719 51.131 52.037 -0.312 0.000 0.696 164 A CB 1.725 20.505 19.000 -0.366 0.000 1.278 164 A HN 0.899 nan 8.150 nan 0.000 0.405 165 K N 2.036 122.301 120.400 -0.225 0.000 2.507 165 K HA 0.617 4.937 4.320 -0.000 0.000 0.252 165 K C -1.944 174.600 176.600 -0.094 0.000 0.943 165 K CA -0.393 55.850 56.287 -0.074 0.000 0.808 165 K CB 0.890 33.335 32.500 -0.092 0.000 1.142 165 K HN 0.499 nan 8.250 nan 0.000 0.426 166 F N 1.686 121.641 119.950 0.009 0.000 2.404 166 F HA 0.355 4.882 4.527 -0.000 0.000 0.339 166 F C 0.332 176.171 175.800 0.066 0.000 1.105 166 F CA -0.221 57.803 58.000 0.040 0.000 1.087 166 F CB 2.124 41.194 39.000 0.118 0.000 1.143 166 F HN 0.301 nan 8.300 nan 0.000 0.491 167 T N 2.256 116.915 114.554 0.177 0.000 2.841 167 T HA 0.263 4.613 4.350 -0.000 0.000 0.283 167 T C -0.852 173.933 174.700 0.143 0.000 1.000 167 T CA -0.885 61.300 62.100 0.142 0.000 0.977 167 T CB 1.365 70.280 68.868 0.078 0.000 0.979 167 T HN 0.348 nan 8.240 nan 0.000 0.446 168 N N 3.290 122.073 118.700 0.138 0.000 2.558 168 N HA 0.378 5.118 4.740 -0.000 0.000 0.242 168 N C -2.209 173.352 175.510 0.085 0.000 0.979 168 N CA -2.396 50.722 53.050 0.115 0.000 0.931 168 N CB 1.534 40.093 38.487 0.119 0.000 1.122 168 N HN 0.202 nan 8.380 nan 0.000 0.508 169 P HA 0.094 nan 4.420 nan 0.000 0.264 169 P C 0.237 177.566 177.300 0.047 0.000 1.259 169 P CA 0.111 63.243 63.100 0.053 0.000 0.841 169 P CB 0.264 31.992 31.700 0.046 0.000 1.232 170 S N 0.032 115.763 115.700 0.052 0.000 2.641 170 S HA 0.195 4.665 4.470 -0.000 0.000 0.261 170 S C 1.424 176.048 174.600 0.040 0.000 1.257 170 S CA 0.353 58.579 58.200 0.044 0.000 0.983 170 S CB 0.352 63.580 63.200 0.048 0.000 0.990 170 S HN 0.098 nan 8.310 nan 0.000 0.572 171 S N -0.679 115.041 115.700 0.033 0.000 2.524 171 S HA 0.190 4.660 4.470 -0.000 0.000 0.216 171 S C 0.197 174.813 174.600 0.026 0.000 0.987 171 S CA -0.488 57.729 58.200 0.028 0.000 0.909 171 S CB -0.488 62.725 63.200 0.023 0.000 0.781 171 S HN 0.759 nan 8.310 nan 0.000 0.521 172 E N 1.478 121.696 120.200 0.029 0.000 2.222 172 E HA 0.351 4.701 4.350 -0.000 0.000 0.272 172 E C -0.892 175.724 176.600 0.027 0.000 0.982 172 E CA -0.778 55.637 56.400 0.025 0.000 0.842 172 E CB 1.020 30.735 29.700 0.026 0.000 1.144 172 E HN 0.288 nan 8.360 nan 0.000 0.397 173 K N 1.553 121.962 120.400 0.016 0.000 2.350 173 K HA 0.286 4.606 4.320 -0.000 0.000 0.279 173 K C -0.293 176.317 176.600 0.016 0.000 1.027 173 K CA 0.068 56.361 56.287 0.010 0.000 0.969 173 K CB 0.470 32.964 32.500 -0.010 0.000 0.954 173 K HN 0.257 nan 8.250 nan 0.000 0.474 174 L N 2.343 123.580 121.223 0.023 0.000 2.362 174 L HA 0.474 4.814 4.340 -0.000 0.000 0.271 174 L C -0.790 176.081 176.870 0.002 0.000 1.002 174 L CA -1.283 53.576 54.840 0.031 0.000 0.818 174 L CB 2.092 44.193 42.059 0.070 0.000 1.298 174 L HN 0.285 nan 8.230 nan 0.000 0.420 175 V N 3.670 123.575 119.914 -0.014 0.000 2.459 175 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 175 V C -0.038 176.017 176.094 -0.065 0.000 1.029 175 V CA -0.538 61.724 62.300 -0.063 0.000 0.874 175 V CB 1.933 33.707 31.823 -0.083 0.000 0.985 175 V HN 0.493 nan 8.190 nan 0.000 0.438 176 L N 5.010 126.155 121.223 -0.131 0.000 2.261 176 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 176 L C 1.119 177.905 176.870 -0.139 0.000 1.059 176 L CA -0.238 54.502 54.840 -0.166 0.000 0.816 176 L CB 0.616 42.455 42.059 -0.367 0.000 1.191 176 L HN 0.680 nan 8.230 nan 0.000 0.431 177 N N 2.992 121.671 118.700 -0.036 0.000 2.416 177 N HA -0.001 4.739 4.740 -0.000 0.000 0.177 177 N C 0.490 176.093 175.510 0.156 0.000 1.036 177 N CA 0.494 53.544 53.050 -0.000 0.000 0.901 177 N CB 0.615 39.098 38.487 -0.006 0.000 0.976 177 N HN 0.522 nan 8.380 nan 0.000 0.444 178 R N 0.222 120.819 120.500 0.163 0.000 2.508 178 R HA 0.447 4.787 4.340 -0.000 0.000 0.283 178 R C -2.006 174.370 176.300 0.126 0.000 1.120 178 R CA -0.307 55.880 56.100 0.145 0.000 0.958 178 R CB 1.340 31.666 30.300 0.045 0.000 1.215 178 R HN -0.064 nan 8.270 nan 0.000 0.427 179 A N 6.190 129.023 122.820 0.022 0.000 3.317 179 A HA 0.296 4.616 4.320 -0.000 0.000 0.307 179 A C -0.892 176.733 177.584 0.068 0.000 1.003 179 A CA -0.577 51.509 52.037 0.083 0.000 0.882 179 A CB 0.318 19.299 19.000 -0.031 0.000 1.136 179 A HN 0.465 nan 8.150 nan 0.000 0.488 180 L N 0.259 121.532 121.223 0.085 0.000 2.479 180 L HA 0.226 4.566 4.340 -0.000 0.000 0.270 180 L C 1.584 178.543 176.870 0.149 0.000 1.236 180 L CA 0.727 55.585 54.840 0.031 0.000 0.823 180 L CB 0.451 42.492 42.059 -0.030 0.000 1.098 180 L HN 0.514 nan 8.230 nan 0.000 0.500 181 S N -0.826 114.910 115.700 0.060 0.000 2.483 181 S HA 0.082 4.552 4.470 -0.000 0.000 0.221 181 S C 0.492 175.133 174.600 0.069 0.000 1.030 181 S CA 0.323 58.550 58.200 0.044 0.000 0.925 181 S CB 0.281 63.461 63.200 -0.034 0.000 0.795 181 S HN 0.655 nan 8.310 nan 0.000 0.511 182 S N 0.691 116.445 115.700 0.090 0.000 2.543 182 S HA 0.473 4.943 4.470 -0.000 0.000 0.273 182 S C -1.702 172.942 174.600 0.073 0.000 1.152 182 S CA -0.698 57.551 58.200 0.082 0.000 0.910 182 S CB 1.716 64.957 63.200 0.070 0.000 1.105 182 S HN 0.288 nan 8.310 nan 0.000 0.465 183 Q N 3.189 123.040 119.800 0.085 0.000 2.353 183 Q HA 0.754 5.094 4.340 -0.000 0.000 0.268 183 Q C -2.002 174.038 176.000 0.068 0.000 1.045 183 Q CA -0.925 54.892 55.803 0.024 0.000 0.811 183 Q CB 1.725 30.441 28.738 -0.036 0.000 1.305 183 Q HN 0.632 nan 8.270 nan 0.000 0.447 184 L N 3.559 124.802 121.223 0.034 0.000 2.404 184 L HA 0.540 4.880 4.340 -0.000 0.000 0.272 184 L C -1.876 174.963 176.870 -0.051 0.000 0.980 184 L CA -0.233 54.628 54.840 0.035 0.000 0.836 184 L CB 1.959 44.101 42.059 0.138 0.000 1.238 184 L HN 0.631 nan 8.230 nan 0.000 0.408 185 D N 5.626 125.986 120.400 -0.066 0.000 2.233 185 D HA 0.555 5.195 4.640 -0.000 0.000 0.240 185 D C -0.517 175.727 176.300 -0.093 0.000 1.074 185 D CA 0.175 54.130 54.000 -0.074 0.000 0.838 185 D CB 1.923 42.690 40.800 -0.054 0.000 1.124 185 D HN 0.463 nan 8.370 nan 0.000 0.475 186 L N 3.050 124.223 121.223 -0.083 0.000 2.322 186 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 186 L C -1.554 175.324 176.870 0.014 0.000 1.012 186 L CA -1.952 52.855 54.840 -0.054 0.000 0.815 186 L CB 2.112 44.128 42.059 -0.071 0.000 1.295 186 L HN 0.130 nan 8.230 nan 0.000 0.438 187 P HA -0.028 nan 4.420 nan 0.000 0.231 187 P C -0.939 176.403 177.300 0.070 0.000 1.168 187 P CA 0.672 63.803 63.100 0.051 0.000 0.779 187 P CB 0.009 31.745 31.700 0.059 0.000 0.844 188 D N -2.342 118.122 120.400 0.107 0.000 2.744 188 D HA 0.564 5.204 4.640 -0.000 0.000 0.304 188 D C -0.639 175.751 176.300 0.149 0.000 1.179 188 D CA -1.158 52.899 54.000 0.096 0.000 1.024 188 D CB 0.305 41.134 40.800 0.049 0.000 1.453 188 D HN -0.198 nan 8.370 nan 0.000 0.529 189 A N -0.389 122.490 122.820 0.098 0.000 2.594 189 A HA 0.300 4.620 4.320 -0.000 0.000 0.292 189 A C -0.432 177.195 177.584 0.073 0.000 1.026 189 A CA -0.633 51.490 52.037 0.143 0.000 0.983 189 A CB -0.977 18.075 19.000 0.087 0.000 1.233 189 A HN 0.509 nan 8.150 nan 0.000 0.519 190 N N 0.707 119.355 118.700 -0.086 0.000 3.254 190 N HA 0.330 5.070 4.740 -0.000 0.000 0.308 190 N C -1.309 173.990 175.510 -0.353 0.000 1.281 190 N CA 0.279 53.220 53.050 -0.181 0.000 1.212 190 N CB -0.090 38.279 38.487 -0.197 0.000 1.478 190 N HN 0.542 nan 8.380 nan 0.000 0.548 191 Y N -0.544 119.787 120.300 0.052 0.000 2.602 191 Y HA 0.363 4.913 4.550 -0.000 0.000 0.342 191 Y C -0.064 175.863 175.900 0.044 0.000 1.029 191 Y CA -1.293 56.846 58.100 0.065 0.000 1.080 191 Y CB 1.309 39.827 38.460 0.095 0.000 1.284 191 Y HN 0.079 nan 8.280 nan 0.000 0.485 192 D N 1.512 122.043 120.400 0.218 0.000 2.168 192 D HA 0.295 4.935 4.640 -0.000 0.000 0.246 192 D C -1.123 175.246 176.300 0.114 0.000 1.050 192 D CA -0.499 53.573 54.000 0.121 0.000 0.857 192 D CB 2.081 42.918 40.800 0.062 0.000 1.169 192 D HN 0.304 nan 8.370 nan 0.000 0.453 193 L N 2.789 124.056 121.223 0.074 0.000 2.276 193 L HA 0.427 4.766 4.340 -0.000 0.000 0.286 193 L C -0.913 175.950 176.870 -0.011 0.000 1.061 193 L CA -0.050 54.804 54.840 0.024 0.000 0.807 193 L CB 0.336 42.399 42.059 0.006 0.000 1.177 193 L HN 0.288 nan 8.230 nan 0.000 0.429 194 I N 6.058 126.586 120.570 -0.070 0.000 2.362 194 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 194 I C -0.217 175.733 176.117 -0.279 0.000 0.994 194 I CA -0.474 60.708 61.300 -0.197 0.000 1.158 194 I CB 1.380 39.259 38.000 -0.203 0.000 1.315 194 I HN 0.736 nan 8.210 nan 0.000 0.451 195 Q N 5.162 124.733 119.800 -0.383 0.000 2.552 195 Q HA 0.661 5.001 4.340 -0.000 0.000 0.289 195 Q C -1.638 174.003 176.000 -0.597 0.000 1.097 195 Q CA -0.859 54.795 55.803 -0.249 0.000 0.812 195 Q CB 2.469 31.180 28.738 -0.045 0.000 1.460 195 Q HN 0.427 nan 8.270 nan 0.000 0.452 196 F N 0.753 120.791 119.950 0.147 0.000 2.646 196 F HA 0.411 4.938 4.527 -0.000 0.000 0.364 196 F C -0.808 175.125 175.800 0.221 0.000 1.137 196 F CA -0.455 57.655 58.000 0.183 0.000 1.085 196 F CB 2.121 41.240 39.000 0.199 0.000 1.331 196 F HN 0.437 nan 8.300 nan 0.000 0.472 197 S N 0.820 116.738 115.700 0.363 0.000 2.578 197 S HA 0.970 5.440 4.470 -0.000 0.000 0.301 197 S C 0.260 175.033 174.600 0.288 0.000 1.091 197 S CA -0.463 57.894 58.200 0.262 0.000 1.032 197 S CB 2.145 65.383 63.200 0.062 0.000 1.064 197 S HN 0.870 nan 8.310 nan 0.000 0.508 198 G N 0.085 108.997 108.800 0.187 0.000 2.725 198 G HA2 0.581 4.541 3.960 -0.000 0.000 0.098 198 G HA3 0.581 4.541 3.960 -0.000 0.000 0.098 198 G C -0.582 174.392 174.900 0.123 0.000 1.188 198 G CA 0.384 45.554 45.100 0.117 0.000 1.237 198 G HN 0.973 nan 8.290 nan 0.000 0.596 199 T N -1.957 112.681 114.554 0.141 0.000 2.632 199 T HA 0.376 4.726 4.350 -0.000 0.000 0.290 199 T C -2.077 172.733 174.700 0.183 0.000 1.899 199 T CA 0.153 62.372 62.100 0.198 0.000 0.946 199 T CB 0.124 69.084 68.868 0.154 0.000 2.024 199 T HN 1.295 nan 8.240 nan 0.000 0.471 200 W N 2.417 123.660 121.300 -0.096 0.000 2.257 200 W HA 0.386 5.046 4.660 0.000 0.000 0.337 200 W C 1.100 177.593 176.519 -0.042 0.000 1.321 200 W CA 1.531 58.737 57.345 -0.231 0.000 1.267 200 W CB -0.130 29.080 29.460 -0.418 0.000 1.187 200 W HN 1.470 nan 8.180 nan 0.000 0.565 201 A N 4.082 126.292 122.820 -1.018 0.000 3.413 201 A HA -0.327 3.993 4.320 -0.000 0.000 0.268 201 A C 0.802 178.182 177.584 -0.340 0.000 1.128 201 A CA 1.821 53.303 52.037 -0.925 0.000 1.062 201 A CB -1.919 16.284 19.000 -1.328 0.000 1.121 201 A HN 0.980 nan 8.150 nan 0.000 0.895 202 R N -0.998 119.405 120.500 -0.161 0.000 2.533 202 R HA 0.434 4.774 4.340 -0.000 0.000 0.268 202 R C -0.797 175.523 176.300 0.032 0.000 1.303 202 R CA -0.529 55.550 56.100 -0.036 0.000 1.429 202 R CB -0.065 30.181 30.300 -0.090 0.000 1.361 202 R HN 0.335 nan 8.270 nan 0.000 0.745 203 E N 1.600 121.841 120.200 0.067 0.000 2.398 203 E HA 0.162 4.512 4.350 -0.000 0.000 0.263 203 E C 0.026 176.775 176.600 0.247 0.000 1.046 203 E CA -0.210 56.268 56.400 0.131 0.000 0.908 203 E CB 0.419 30.149 29.700 0.050 0.000 0.963 203 E HN 0.188 nan 8.360 nan 0.000 0.431 204 R N 1.099 121.769 120.500 0.284 0.000 3.531 204 R HA -0.208 4.132 4.340 -0.000 0.000 0.280 204 R C -0.668 175.935 176.300 0.504 0.000 1.130 204 R CA 0.204 56.532 56.100 0.380 0.000 0.757 204 R CB -2.227 28.203 30.300 0.216 0.000 1.218 204 R HN 0.666 nan 8.270 nan 0.000 0.454 205 H N 0.182 119.400 119.070 0.248 0.000 2.790 205 H HA 0.117 4.673 4.556 0.000 0.000 0.358 205 H C 0.718 175.819 175.328 -0.379 0.000 1.103 205 H CA -0.148 55.927 56.048 0.046 0.000 1.426 205 H CB 0.881 30.725 29.762 0.137 0.000 1.424 205 H HN 0.120 nan 8.280 nan 0.000 0.599 206 L N 3.769 124.314 121.223 -1.131 0.000 2.331 206 L HA 0.206 4.546 4.340 -0.000 0.000 0.278 206 L C -1.240 175.051 176.870 -0.965 0.000 1.106 206 L CA -0.318 53.832 54.840 -1.149 0.000 0.824 206 L CB 0.081 41.404 42.059 -1.226 0.000 1.142 206 L HN 0.513 nan 8.230 nan 0.000 0.443 207 Y N 4.241 124.237 120.300 -0.507 0.000 2.425 207 Y HA 0.552 5.102 4.550 0.000 0.000 0.344 207 Y C -0.328 175.435 175.900 -0.227 0.000 0.969 207 Y CA -0.761 57.210 58.100 -0.216 0.000 1.052 207 Y CB 1.759 40.209 38.460 -0.017 0.000 1.215 207 Y HN 0.489 nan 8.280 nan 0.000 0.451 208 R N 2.658 123.088 120.500 -0.116 0.000 2.500 208 R HA 0.539 4.879 4.340 -0.000 0.000 0.299 208 R C -2.098 173.997 176.300 -0.342 0.000 1.038 208 R CA -0.589 55.405 56.100 -0.176 0.000 0.903 208 R CB 0.491 30.681 30.300 -0.183 0.000 1.177 208 R HN 0.848 nan 8.270 nan 0.000 0.455 209 H N 3.195 122.261 119.070 -0.007 0.000 2.717 209 H HA 0.400 4.956 4.556 0.000 0.000 0.366 209 H C -2.488 172.846 175.328 0.010 0.000 1.132 209 H CA -1.935 54.116 56.048 0.004 0.000 1.180 209 H CB 2.220 31.981 29.762 -0.001 0.000 1.678 209 H HN 0.452 nan 8.280 nan 0.000 0.537 210 P HA -0.016 nan 4.420 nan 0.000 0.271 210 P C -0.373 176.977 177.300 0.082 0.000 1.216 210 P CA -0.500 62.648 63.100 0.081 0.000 0.776 210 P CB 0.613 32.346 31.700 0.055 0.000 0.881 211 L N 3.611 124.879 121.223 0.076 0.000 2.482 211 L HA 0.195 4.535 4.340 -0.000 0.000 0.273 211 L C 1.287 178.176 176.870 0.032 0.000 1.228 211 L CA 0.754 55.626 54.840 0.053 0.000 0.827 211 L CB -0.524 41.578 42.059 0.072 0.000 1.099 211 L HN 0.588 nan 8.230 nan 0.000 0.494 212 R N 0.667 121.174 120.500 0.011 0.000 2.817 212 R HA 0.694 5.034 4.340 -0.000 0.000 0.268 212 R C -2.763 173.528 176.300 -0.015 0.000 1.027 212 R CA -1.958 54.141 56.100 -0.002 0.000 0.928 212 R CB -0.026 30.270 30.300 -0.008 0.000 1.228 212 R HN 0.228 nan 8.270 nan 0.000 0.469 213 P HA 0.247 nan 4.420 nan 0.000 0.267 213 P C -0.203 177.073 177.300 -0.040 0.000 1.205 213 P CA 1.084 64.164 63.100 -0.034 0.000 0.765 213 P CB 0.859 32.533 31.700 -0.043 0.000 0.828 217 S N 2.744 118.394 115.700 -0.084 0.000 2.627 217 S HA 0.938 5.408 4.470 -0.000 0.000 0.283 217 S C -0.111 174.445 174.600 -0.074 0.000 1.127 217 S CA -0.799 57.355 58.200 -0.078 0.000 0.863 217 S CB 2.336 65.486 63.200 -0.083 0.000 1.121 217 S HN 0.833 nan 8.310 nan 0.000 0.479 218 I N -0.872 119.669 120.570 -0.047 0.000 2.828 218 I HA 0.896 5.066 4.170 -0.000 0.000 0.302 218 I C -0.808 175.212 176.117 -0.162 0.000 1.101 218 I CA -0.738 60.528 61.300 -0.056 0.000 1.031 218 I CB 1.982 40.008 38.000 0.043 0.000 1.231 218 I HN 1.009 nan 8.210 nan 0.000 0.427 219 S N 3.014 118.514 115.700 -0.333 0.000 2.688 219 S HA 0.689 5.159 4.470 -0.000 0.000 0.275 219 S C -0.958 173.218 174.600 -0.707 0.000 1.175 219 S CA -0.754 57.053 58.200 -0.655 0.000 0.818 219 S CB 1.756 64.743 63.200 -0.356 0.000 1.157 219 S HN 0.864 nan 8.310 nan 0.000 0.482 220 S N -0.354 114.914 115.700 -0.720 0.000 2.571 220 S HA 0.639 5.109 4.470 -0.000 0.000 0.284 220 S C -0.778 173.696 174.600 -0.209 0.000 1.128 220 S CA -0.780 57.191 58.200 -0.381 0.000 0.970 220 S CB 0.858 63.900 63.200 -0.263 0.000 1.039 220 S HN 0.680 nan 8.310 nan 0.000 0.485 221 L N 4.189 125.317 121.223 -0.159 0.000 3.066 221 L HA 0.411 4.751 4.340 -0.000 0.000 0.265 221 L C 0.550 177.363 176.870 -0.096 0.000 1.232 221 L CA -0.164 54.618 54.840 -0.095 0.000 1.031 221 L CB 0.103 42.112 42.059 -0.083 0.000 1.379 221 L HN 0.437 nan 8.230 nan 0.000 0.563 225 S N 1.260 117.066 115.700 0.177 0.000 2.560 225 S HA 0.501 4.971 4.470 -0.000 0.000 0.284 225 S C 0.703 175.444 174.600 0.234 0.000 1.327 225 S CA 0.325 58.722 58.200 0.328 0.000 1.055 225 S CB 0.390 63.681 63.200 0.152 0.000 0.868 225 S HN 1.944 nan 8.310 nan 0.000 0.506 226 S N 1.088 116.954 115.700 0.277 0.000 2.713 226 S HA 0.374 4.844 4.470 -0.000 0.000 0.277 226 S C 0.531 175.231 174.600 0.166 0.000 1.168 226 S CA -0.715 57.592 58.200 0.177 0.000 0.994 226 S CB -0.125 63.128 63.200 0.087 0.000 1.054 226 S HN 0.790 nan 8.310 nan 0.000 0.555 227 H N 0.029 119.278 119.070 0.298 0.000 2.423 227 H HA -0.021 4.535 4.556 -0.000 0.000 0.297 227 H C 2.076 177.524 175.328 0.199 0.000 1.075 227 H CA 1.856 58.055 56.048 0.253 0.000 1.342 227 H CB -0.144 29.807 29.762 0.315 0.000 1.395 227 H HN 0.508 nan 8.280 nan 0.000 0.530 228 Q N 0.015 119.989 119.800 0.289 0.000 2.049 228 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 228 Q C 0.058 176.168 176.000 0.183 0.000 0.971 228 Q CA 0.972 56.889 55.803 0.191 0.000 0.833 228 Q CB 0.527 29.327 28.738 0.104 0.000 0.896 228 Q HN 0.361 nan 8.270 nan 0.000 0.434 229 Q N -0.019 119.917 119.800 0.227 0.000 2.305 229 Q HA 0.355 4.695 4.340 -0.000 0.000 0.271 229 Q C -1.291 174.987 176.000 0.464 0.000 1.046 229 Q CA -0.425 55.564 55.803 0.309 0.000 0.798 229 Q CB 1.902 30.793 28.738 0.255 0.000 1.286 229 Q HN 0.108 nan 8.270 nan 0.000 0.435 230 N N 1.943 120.884 118.700 0.402 0.000 2.509 230 N HA 0.322 5.062 4.740 -0.000 0.000 0.287 230 N C -1.819 173.744 175.510 0.089 0.000 1.121 230 N CA -1.580 51.636 53.050 0.278 0.000 0.977 230 N CB 1.269 39.950 38.487 0.323 0.000 1.167 230 N HN 0.105 nan 8.380 nan 0.000 0.476 231 P HA -0.031 nan 4.420 nan 0.000 0.225 231 P C -0.359 176.925 177.300 -0.025 0.000 1.148 231 P CA 0.696 63.369 63.100 -0.712 0.000 0.779 231 P CB 0.050 31.353 31.700 -0.663 0.000 0.780 236 A N 3.492 126.469 122.820 0.261 0.000 2.312 236 A HA 0.853 5.173 4.320 -0.000 0.000 0.328 236 A C -0.058 177.741 177.584 0.358 0.000 1.158 236 A CA -0.642 51.550 52.037 0.258 0.000 0.821 236 A CB 1.144 20.222 19.000 0.131 0.000 1.170 236 A HN 0.613 nan 8.150 nan 0.000 0.490 237 R N 1.417 122.074 120.500 0.262 0.000 2.784 237 R HA 0.133 4.473 4.340 -0.000 0.000 0.266 237 R C -1.823 174.506 176.300 0.048 0.000 1.044 237 R CA -1.718 54.424 56.100 0.070 0.000 1.151 237 R CB -0.321 29.992 30.300 0.021 0.000 1.037 237 R HN 0.431 nan 8.270 nan 0.000 0.478 238 P HA -0.095 nan 4.420 nan 0.000 0.219 238 P C 0.498 177.804 177.300 0.011 0.000 1.146 238 P CA 1.257 64.361 63.100 0.007 0.000 0.808 238 P CB 0.385 32.077 31.700 -0.014 0.000 0.779 239 Q N -2.359 117.446 119.800 0.009 0.000 2.247 239 Q HA 0.133 4.473 4.340 -0.000 0.000 0.211 239 Q C 0.101 176.112 176.000 0.019 0.000 0.861 239 Q CA 0.217 56.026 55.803 0.011 0.000 0.949 239 Q CB -0.425 28.315 28.738 0.003 0.000 1.115 239 Q HN 0.072 nan 8.270 nan 0.000 0.507 240 T N 1.149 115.719 114.554 0.027 0.000 2.928 240 T HA 0.254 4.604 4.350 -0.000 0.000 0.305 240 T C 0.467 175.198 174.700 0.052 0.000 1.035 240 T CA 0.576 62.695 62.100 0.031 0.000 1.145 240 T CB 0.605 69.493 68.868 0.034 0.000 0.963 240 T HN 0.417 nan 8.240 nan 0.000 0.545 241 T N -0.889 113.701 114.554 0.059 0.000 2.645 241 T HA 0.375 4.725 4.350 -0.000 0.000 0.273 241 T C 0.458 175.231 174.700 0.122 0.000 0.960 241 T CA -0.793 61.365 62.100 0.096 0.000 1.051 241 T CB 1.145 70.058 68.868 0.075 0.000 1.366 241 T HN 0.283 nan 8.240 nan 0.000 0.536 242 D N 0.113 120.609 120.400 0.160 0.000 2.347 242 D HA 0.063 4.703 4.640 -0.000 0.000 0.215 242 D C 1.484 177.844 176.300 0.100 0.000 0.976 242 D CA 0.810 54.905 54.000 0.158 0.000 0.884 242 D CB 0.312 41.227 40.800 0.191 0.000 0.915 242 D HN 0.646 nan 8.370 nan 0.000 0.526 243 E N -0.195 120.050 120.200 0.075 0.000 2.307 243 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 243 E C 0.895 177.510 176.600 0.025 0.000 0.975 243 E CA 0.130 56.559 56.400 0.049 0.000 0.878 243 E CB 0.565 30.280 29.700 0.024 0.000 0.845 243 E HN 0.230 nan 8.360 nan 0.000 0.488 244 Q N -0.410 119.399 119.800 0.015 0.000 2.472 244 Q HA 0.511 4.851 4.340 -0.000 0.000 0.281 244 Q C -0.555 175.437 176.000 -0.014 0.000 0.997 244 Q CA -0.541 55.259 55.803 -0.005 0.000 0.828 244 Q CB 2.135 30.871 28.738 -0.004 0.000 1.443 244 Q HN 0.092 nan 8.270 nan 0.000 0.390 245 G N 0.179 108.957 108.800 -0.037 0.000 2.619 245 G HA2 0.342 4.302 3.960 -0.000 0.000 0.686 245 G HA3 0.342 4.302 3.960 -0.000 0.000 0.686 245 G C -0.793 174.040 174.900 -0.111 0.000 1.256 245 G CA -0.422 44.651 45.100 -0.044 0.000 0.826 245 G HN 1.202 nan 8.290 nan 0.000 0.619 246 A N -0.755 122.007 122.820 -0.097 0.000 2.388 246 A HA 0.906 5.226 4.320 -0.000 0.000 0.257 246 A C 0.553 178.014 177.584 -0.205 0.000 1.095 246 A CA 0.425 52.332 52.037 -0.217 0.000 0.791 246 A CB 1.352 20.375 19.000 0.038 0.000 1.029 246 A HN 2.466 nan 8.150 nan 0.000 0.489 247 V N 3.221 122.823 119.914 -0.520 0.000 2.903 247 V HA 0.574 4.694 4.120 -0.000 0.000 0.289 247 V C -1.808 173.980 176.094 -0.509 0.000 1.355 247 V CA -0.753 61.374 62.300 -0.288 0.000 0.953 247 V CB 1.243 32.989 31.823 -0.129 0.000 1.102 247 V HN 0.785 nan 8.190 nan 0.000 0.435 248 F N 4.209 124.113 119.950 -0.076 0.000 2.397 248 F HA 0.875 5.402 4.527 0.000 0.000 0.331 248 F C 1.048 176.761 175.800 -0.144 0.000 1.090 248 F CA 0.274 58.181 58.000 -0.155 0.000 1.065 248 F CB 2.176 41.090 39.000 -0.143 0.000 1.184 248 F HN 0.714 nan 8.300 nan 0.000 0.499 249 G N 1.865 110.592 108.800 -0.121 0.000 2.566 249 G HA2 0.665 4.625 3.960 -0.000 0.000 0.311 249 G HA3 0.665 4.625 3.960 -0.000 0.000 0.311 249 G C -1.978 172.779 174.900 -0.238 0.000 1.322 249 G CA -0.457 44.648 45.100 0.007 0.000 0.969 249 G HN 0.352 nan 8.290 nan 0.000 0.490 250 F N 1.651 121.663 119.950 0.103 0.000 2.518 250 F HA 0.535 5.062 4.527 0.000 0.000 0.323 250 F C 0.097 176.020 175.800 0.205 0.000 1.129 250 F CA -1.050 57.021 58.000 0.117 0.000 0.920 250 F CB 2.527 41.545 39.000 0.031 0.000 1.160 250 F HN 0.387 nan 8.300 nan 0.000 0.440 251 N N 1.809 120.728 118.700 0.365 0.000 3.038 251 N HA 0.627 5.367 4.740 -0.000 0.000 0.307 251 N C -2.056 173.565 175.510 0.185 0.000 1.441 251 N CA -0.505 52.731 53.050 0.311 0.000 0.772 251 N CB 2.196 40.876 38.487 0.321 0.000 1.651 251 N HN 0.634 nan 8.380 nan 0.000 0.593 252 L N 1.397 122.696 121.223 0.126 0.000 2.580 252 L HA 0.341 4.681 4.340 -0.000 0.000 0.266 252 L C -1.016 175.913 176.870 0.097 0.000 0.955 252 L CA -0.723 54.176 54.840 0.099 0.000 0.886 252 L CB 1.860 43.965 42.059 0.077 0.000 1.263 252 L HN 0.281 nan 8.230 nan 0.000 0.406 253 V N 4.995 124.962 119.914 0.089 0.000 2.149 253 V HA 0.188 4.308 4.120 -0.000 0.000 0.245 253 V C -0.647 175.557 176.094 0.183 0.000 1.349 253 V CA 0.009 62.349 62.300 0.067 0.000 1.289 253 V CB -0.759 31.064 31.823 0.000 0.000 1.401 253 V HN 0.494 nan 8.190 nan 0.000 0.501 254 Y N 1.692 122.021 120.300 0.048 0.000 2.624 254 Y HA 0.495 5.045 4.550 -0.000 0.000 0.334 254 Y C 0.541 176.533 175.900 0.153 0.000 1.155 254 Y CA -0.968 57.221 58.100 0.148 0.000 1.046 254 Y CB 2.374 40.912 38.460 0.130 0.000 1.316 254 Y HN 0.178 nan 8.280 nan 0.000 0.457 255 S N 0.700 116.168 115.700 -0.387 0.000 2.847 255 S HA 0.369 4.839 4.470 -0.000 0.000 0.254 255 S C 0.278 174.698 174.600 -0.299 0.000 1.039 255 S CA 0.129 58.194 58.200 -0.224 0.000 1.113 255 S CB 0.954 64.082 63.200 -0.120 0.000 1.092 255 S HN 0.939 nan 8.310 nan 0.000 0.620 256 G N 1.695 110.113 108.800 -0.636 0.000 3.039 256 G HA2 0.398 4.358 3.960 -0.000 0.000 0.159 256 G HA3 0.398 4.358 3.960 -0.000 0.000 0.159 256 G C -0.685 174.308 174.900 0.155 0.000 1.284 256 G CA -0.716 44.236 45.100 -0.248 0.000 0.996 256 G HN 0.195 nan 8.290 nan 0.000 0.592 257 N N 0.800 119.668 118.700 0.280 0.000 2.440 257 N HA 0.320 5.060 4.740 -0.000 0.000 0.265 257 N C -0.656 175.080 175.510 0.376 0.000 1.239 257 N CA 0.176 53.374 53.050 0.248 0.000 0.909 257 N CB 0.307 38.893 38.487 0.164 0.000 1.066 257 N HN 0.404 nan 8.380 nan 0.000 0.474 258 F N 0.593 120.633 119.950 0.151 0.000 2.611 258 F HA 0.773 5.300 4.527 0.000 0.000 0.324 258 F C -1.117 174.708 175.800 0.042 0.000 1.061 258 F CA -1.501 56.571 58.000 0.120 0.000 0.954 258 F CB 1.044 40.144 39.000 0.167 0.000 1.301 258 F HN 0.200 nan 8.300 nan 0.000 0.482 259 L N 2.179 123.486 121.223 0.140 0.000 2.410 259 L HA 0.613 4.953 4.340 -0.000 0.000 0.270 259 L C -1.903 175.075 176.870 0.181 0.000 0.983 259 L CA -0.157 54.694 54.840 0.018 0.000 0.822 259 L CB 1.854 43.883 42.059 -0.050 0.000 1.285 259 L HN 0.668 nan 8.230 nan 0.000 0.409 260 D N 4.822 125.314 120.400 0.153 0.000 2.462 260 D HA 0.736 5.376 4.640 -0.000 0.000 0.245 260 D C -0.979 175.302 176.300 -0.032 0.000 1.122 260 D CA 0.188 54.240 54.000 0.086 0.000 0.864 260 D CB 1.915 42.815 40.800 0.166 0.000 1.098 260 D HN 0.757 nan 8.370 nan 0.000 0.541 261 A N 3.121 125.885 122.820 -0.094 0.000 2.374 261 A HA 0.754 5.074 4.320 -0.000 0.000 0.305 261 A C -0.888 176.605 177.584 -0.151 0.000 1.053 261 A CA -0.644 51.328 52.037 -0.109 0.000 0.726 261 A CB 1.055 20.000 19.000 -0.092 0.000 1.229 261 A HN 0.493 nan 8.150 nan 0.000 0.431 262 I N 1.840 122.329 120.570 -0.135 0.000 2.478 262 I HA 0.378 4.548 4.170 -0.000 0.000 0.287 262 I C -0.414 175.646 176.117 -0.096 0.000 1.042 262 I CA -0.167 61.048 61.300 -0.141 0.000 1.067 262 I CB 1.948 39.859 38.000 -0.147 0.000 1.233 262 I HN 0.844 nan 8.210 nan 0.000 0.431 263 E N 5.741 125.890 120.200 -0.086 0.000 2.187 263 E HA 0.533 4.883 4.350 -0.000 0.000 0.268 263 E C -1.618 174.956 176.600 -0.044 0.000 0.896 263 E CA -0.622 55.741 56.400 -0.062 0.000 0.766 263 E CB 2.524 32.187 29.700 -0.061 0.000 1.142 263 E HN 0.336 nan 8.360 nan 0.000 0.408 264 V N 5.620 125.515 119.914 -0.032 0.000 2.347 264 V HA 0.147 4.267 4.120 -0.000 0.000 0.280 264 V C 0.197 176.277 176.094 -0.024 0.000 1.021 264 V CA -0.719 61.572 62.300 -0.015 0.000 0.847 264 V CB 1.082 32.902 31.823 -0.005 0.000 0.990 264 V HN 0.739 nan 8.190 nan 0.000 0.444 265 D N 3.995 124.387 120.400 -0.014 0.000 2.478 265 D HA 0.088 4.728 4.640 -0.000 0.000 0.269 265 D C 1.217 177.470 176.300 -0.078 0.000 1.232 265 D CA -0.504 53.479 54.000 -0.029 0.000 1.059 265 D CB 0.731 41.539 40.800 0.013 0.000 1.104 265 D HN 0.539 nan 8.370 nan 0.000 0.566 266 Q N -1.091 118.604 119.800 -0.175 0.000 2.234 266 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 266 Q C 0.586 176.308 176.000 -0.462 0.000 0.980 266 Q CA 1.477 57.058 55.803 -0.369 0.000 0.869 266 Q CB -0.659 27.737 28.738 -0.571 0.000 0.912 266 Q HN 0.546 nan 8.270 nan 0.000 0.436 267 Y N 0.224 120.510 120.300 -0.023 0.000 2.658 267 Y HA 0.355 4.905 4.550 -0.000 0.000 0.276 267 Y C 0.411 176.303 175.900 -0.013 0.000 1.167 267 Y CA -0.395 57.692 58.100 -0.021 0.000 1.230 267 Y CB 0.690 39.133 38.460 -0.028 0.000 1.144 267 Y HN -0.001 nan 8.280 nan 0.000 0.529 268 S N 0.761 116.499 115.700 0.063 0.000 3.641 268 S HA -0.192 4.278 4.470 -0.000 0.000 0.346 268 S C 0.587 175.227 174.600 0.067 0.000 1.074 268 S CA 1.014 59.243 58.200 0.049 0.000 1.026 268 S CB -1.287 61.938 63.200 0.042 0.000 0.908 268 S HN 0.747 nan 8.310 nan 0.000 0.479 269 T N -1.188 113.410 114.554 0.073 0.000 2.927 269 T HA 0.755 5.105 4.350 -0.000 0.000 0.281 269 T C -0.104 174.615 174.700 0.032 0.000 0.998 269 T CA -0.400 61.734 62.100 0.057 0.000 1.019 269 T CB 1.886 70.784 68.868 0.050 0.000 1.061 269 T HN 0.137 nan 8.240 nan 0.000 0.518 270 S N 0.738 116.448 115.700 0.017 0.000 2.519 270 S HA 0.517 4.987 4.470 -0.000 0.000 0.309 270 S C -0.517 174.045 174.600 -0.064 0.000 1.100 270 S CA -0.849 57.339 58.200 -0.020 0.000 1.059 270 S CB 1.144 64.336 63.200 -0.013 0.000 1.008 270 S HN 0.763 nan 8.310 nan 0.000 0.478 271 R N 2.768 123.222 120.500 -0.077 0.000 2.229 271 R HA 0.470 4.810 4.340 -0.000 0.000 0.332 271 R C -1.396 174.816 176.300 -0.146 0.000 0.989 271 R CA -0.573 55.468 56.100 -0.099 0.000 0.842 271 R CB 0.154 30.405 30.300 -0.083 0.000 1.119 271 R HN 0.462 nan 8.270 nan 0.000 0.456 272 I N 6.046 126.504 120.570 -0.188 0.000 2.297 272 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 272 I C -0.321 175.672 176.117 -0.208 0.000 1.033 272 I CA -0.108 61.014 61.300 -0.297 0.000 1.253 272 I CB 1.250 38.901 38.000 -0.582 0.000 1.396 272 I HN 0.431 nan 8.210 nan 0.000 0.476 273 L N 6.599 127.714 121.223 -0.181 0.000 2.322 273 L HA 0.722 5.062 4.340 -0.000 0.000 0.281 273 L C -0.232 176.585 176.870 -0.088 0.000 1.014 273 L CA -0.455 54.317 54.840 -0.113 0.000 0.815 273 L CB 1.893 43.889 42.059 -0.106 0.000 1.247 273 L HN 0.674 nan 8.230 nan 0.000 0.421 274 T N -0.354 114.182 114.554 -0.029 0.000 2.971 274 T HA 0.870 5.220 4.350 -0.000 0.000 0.304 274 T C -0.277 174.439 174.700 0.026 0.000 1.038 274 T CA -0.355 61.758 62.100 0.022 0.000 1.007 274 T CB 2.350 71.255 68.868 0.062 0.000 1.055 274 T HN 0.927 nan 8.240 nan 0.000 0.451 275 G N 1.883 110.702 108.800 0.033 0.000 2.399 275 G HA2 0.388 4.348 3.960 -0.000 0.000 0.256 275 G HA3 0.388 4.348 3.960 -0.000 0.000 0.256 275 G C -1.315 173.545 174.900 -0.067 0.000 1.236 275 G CA -0.979 44.096 45.100 -0.042 0.000 0.914 275 G HN 0.949 nan 8.290 nan 0.000 0.482 276 I N 1.801 122.206 120.570 -0.276 0.000 2.683 276 I HA 0.013 4.183 4.170 -0.000 0.000 0.286 276 I C 1.026 177.006 176.117 -0.228 0.000 1.175 276 I CA 0.085 61.186 61.300 -0.332 0.000 1.429 276 I CB 0.507 38.083 38.000 -0.706 0.000 1.371 276 I HN 0.524 nan 8.210 nan 0.000 0.569 277 N N 8.242 126.894 118.700 -0.081 0.000 2.417 277 N HA -0.015 4.725 4.740 -0.000 0.000 0.272 277 N C -1.668 173.800 175.510 -0.070 0.000 1.304 277 N CA -1.104 51.904 53.050 -0.070 0.000 0.906 277 N CB 0.820 39.279 38.487 -0.045 0.000 1.135 277 N HN 0.337 nan 8.380 nan 0.000 0.483 278 P HA -0.125 nan 4.420 nan 0.000 0.218 278 P C -0.567 176.793 177.300 0.101 0.000 1.146 278 P CA 1.078 64.195 63.100 0.029 0.000 0.813 278 P CB 0.157 31.854 31.700 -0.004 0.000 0.778 279 D N 0.720 121.149 120.400 0.048 0.000 2.345 279 D HA 0.009 4.649 4.640 -0.000 0.000 0.247 279 D C 0.666 177.022 176.300 0.094 0.000 1.108 279 D CA 0.189 54.220 54.000 0.051 0.000 0.894 279 D CB 0.271 41.072 40.800 0.002 0.000 1.203 279 D HN 0.015 nan 8.370 nan 0.000 0.430 280 E N 0.528 120.779 120.200 0.086 0.000 2.360 280 E HA -0.269 4.081 4.350 -0.000 0.000 0.238 280 E C -0.595 176.128 176.600 0.205 0.000 1.186 280 E CA 0.717 57.179 56.400 0.103 0.000 0.719 280 E CB -1.550 28.198 29.700 0.081 0.000 1.236 280 E HN 0.411 nan 8.360 nan 0.000 0.386 281 F N -0.738 119.223 119.950 0.019 0.000 2.608 281 F HA 0.623 5.150 4.527 0.000 0.000 0.309 281 F C -0.222 175.578 175.800 -0.000 0.000 1.103 281 F CA 0.291 58.311 58.000 0.033 0.000 0.954 281 F CB 2.177 41.193 39.000 0.026 0.000 1.267 281 F HN -0.004 nan 8.300 nan 0.000 0.444 282 G N 4.016 112.130 108.800 -1.143 0.000 2.717 282 G HA2 0.317 4.277 3.960 -0.000 0.000 0.300 282 G HA3 0.317 4.277 3.960 -0.000 0.000 0.300 282 G C -2.842 171.553 174.900 -0.843 0.000 1.424 282 G CA -0.652 43.918 45.100 -0.882 0.000 1.033 282 G HN 0.733 nan 8.290 nan 0.000 0.577 283 W N 4.305 125.049 121.300 -0.926 0.000 2.499 283 W HA 0.351 5.011 4.660 0.000 0.000 0.320 283 W C -0.930 175.368 176.519 -0.367 0.000 1.010 283 W CA -0.863 56.103 57.345 -0.632 0.000 1.267 283 W CB 1.590 30.570 29.460 -0.799 0.000 1.316 283 W HN 0.410 nan 8.180 nan 0.000 0.431 284 N N 5.422 123.755 118.700 -0.612 0.000 2.416 284 N HA 0.027 4.767 4.740 -0.000 0.000 0.265 284 N C -0.690 174.673 175.510 -0.244 0.000 1.195 284 N CA 0.056 52.885 53.050 -0.369 0.000 0.943 284 N CB 1.397 39.677 38.487 -0.346 0.000 1.115 284 N HN 0.299 nan 8.380 nan 0.000 0.481 285 L N 3.153 124.360 121.223 -0.027 0.000 2.321 285 L HA 0.374 4.714 4.340 -0.000 0.000 0.272 285 L C 0.299 177.207 176.870 0.063 0.000 1.050 285 L CA -0.568 54.340 54.840 0.114 0.000 0.893 285 L CB 0.276 42.439 42.059 0.173 0.000 1.272 285 L HN 0.486 nan 8.230 nan 0.000 0.435 286 A N 5.980 128.827 122.820 0.045 0.000 2.366 286 A HA 0.537 4.857 4.320 -0.000 0.000 0.250 286 A C -2.293 175.326 177.584 0.059 0.000 1.099 286 A CA -0.952 51.105 52.037 0.033 0.000 0.794 286 A CB -0.616 18.395 19.000 0.018 0.000 1.056 286 A HN 0.589 nan 8.150 nan 0.000 0.499 287 P HA 0.118 nan 4.420 nan 0.000 0.265 287 P C -0.359 176.977 177.300 0.059 0.000 1.193 287 P CA 0.628 63.760 63.100 0.052 0.000 0.765 287 P CB 0.425 32.148 31.700 0.037 0.000 0.823 288 Q N -1.927 117.913 119.800 0.066 0.000 2.385 288 Q HA -0.203 4.137 4.340 -0.000 0.000 0.215 288 Q C 0.154 176.207 176.000 0.088 0.000 0.671 288 Q CA 1.601 57.444 55.803 0.067 0.000 1.335 288 Q CB -2.648 26.121 28.738 0.052 0.000 1.425 288 Q HN 0.658 nan 8.270 nan 0.000 0.781 289 A N 0.626 123.513 122.820 0.112 0.000 2.269 289 A HA 0.818 5.138 4.320 -0.000 0.000 0.319 289 A C 0.588 178.286 177.584 0.189 0.000 1.110 289 A CA 0.580 52.710 52.037 0.155 0.000 0.847 289 A CB 0.931 20.036 19.000 0.176 0.000 1.161 289 A HN 0.396 nan 8.150 nan 0.000 0.497 290 T N -2.097 112.594 114.554 0.228 0.000 2.903 290 T HA 0.654 5.004 4.350 -0.000 0.000 0.299 290 T C -1.116 173.765 174.700 0.301 0.000 1.093 290 T CA -0.358 61.879 62.100 0.229 0.000 1.002 290 T CB 1.312 70.263 68.868 0.139 0.000 1.127 290 T HN 0.942 nan 8.240 nan 0.000 0.488 291 F N 1.821 121.831 119.950 0.100 0.000 2.562 291 F HA 0.622 5.149 4.527 0.000 0.000 0.319 291 F C -0.724 175.072 175.800 -0.005 0.000 1.154 291 F CA -0.673 57.292 58.000 -0.059 0.000 0.931 291 F CB 2.289 41.155 39.000 -0.223 0.000 1.198 291 F HN 0.701 nan 8.300 nan 0.000 0.444 292 Q N 4.402 123.725 119.800 -0.794 0.000 2.314 292 Q HA 0.374 4.714 4.340 -0.000 0.000 0.259 292 Q C -0.294 175.170 176.000 -0.893 0.000 0.951 292 Q CA -0.480 54.968 55.803 -0.593 0.000 0.909 292 Q CB 1.329 29.867 28.738 -0.333 0.000 1.236 292 Q HN 0.748 nan 8.270 nan 0.000 0.444 293 T N 2.463 116.715 114.554 -0.504 0.000 2.868 293 T HA 0.565 4.915 4.350 -0.000 0.000 0.292 293 T C -2.181 172.345 174.700 -0.290 0.000 1.028 293 T CA -1.542 60.326 62.100 -0.386 0.000 1.059 293 T CB 0.637 69.426 68.868 -0.133 0.000 0.991 293 T HN 0.463 nan 8.240 nan 0.000 0.531 294 P HA 0.231 nan 4.420 nan 0.000 0.272 294 P C -0.246 176.990 177.300 -0.107 0.000 1.240 294 P CA -0.422 62.593 63.100 -0.142 0.000 0.791 294 P CB 0.319 31.924 31.700 -0.160 0.000 0.978 295 E N 0.052 120.219 120.200 -0.055 0.000 2.331 295 E HA 0.426 4.776 4.350 -0.000 0.000 0.272 295 E C -0.328 176.272 176.600 -0.001 0.000 1.036 295 E CA -0.574 55.804 56.400 -0.038 0.000 0.864 295 E CB 0.665 30.357 29.700 -0.014 0.000 1.035 295 E HN 0.398 nan 8.360 nan 0.000 0.408 296 A N 4.128 126.942 122.820 -0.010 0.000 2.290 296 A HA 0.372 4.692 4.320 -0.000 0.000 0.310 296 A C -0.414 177.186 177.584 0.026 0.000 1.202 296 A CA -0.676 51.382 52.037 0.034 0.000 0.837 296 A CB 0.413 19.438 19.000 0.041 0.000 1.139 296 A HN 0.437 nan 8.150 nan 0.000 0.509 297 I N 3.141 123.749 120.570 0.064 0.000 2.342 297 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 297 I C -0.428 175.680 176.117 -0.015 0.000 1.010 297 I CA -0.308 60.990 61.300 -0.003 0.000 1.308 297 I CB 0.529 38.572 38.000 0.071 0.000 1.400 297 I HN 0.411 nan 8.210 nan 0.000 0.488 298 L N 4.872 126.038 121.223 -0.096 0.000 2.333 298 L HA 0.690 5.030 4.340 -0.000 0.000 0.269 298 L C 0.032 176.872 176.870 -0.051 0.000 1.010 298 L CA -0.083 54.704 54.840 -0.089 0.000 0.818 298 L CB 1.993 44.048 42.059 -0.006 0.000 1.306 298 L HN 0.682 nan 8.230 nan 0.000 0.430 299 S N 0.988 116.691 115.700 0.005 0.000 2.558 299 S HA 0.650 5.120 4.470 -0.000 0.000 0.277 299 S C -2.097 172.525 174.600 0.037 0.000 1.143 299 S CA -0.437 57.790 58.200 0.044 0.000 0.865 299 S CB 0.853 64.004 63.200 -0.082 0.000 1.102 299 S HN 0.466 nan 8.310 nan 0.000 0.454 300 Y N 1.349 121.552 120.300 -0.162 0.000 2.588 300 Y HA 0.757 5.307 4.550 -0.000 0.000 0.343 300 Y C -0.576 175.161 175.900 -0.272 0.000 1.065 300 Y CA -0.138 57.702 58.100 -0.433 0.000 1.038 300 Y CB 2.182 40.165 38.460 -0.795 0.000 1.297 300 Y HN 0.741 nan 8.280 nan 0.000 0.467 301 T N 1.158 114.972 114.554 -1.233 0.000 2.802 301 T HA 0.396 4.746 4.350 -0.000 0.000 0.311 301 T C -0.747 173.323 174.700 -1.051 0.000 1.405 301 T CA -0.218 61.427 62.100 -0.759 0.000 1.016 301 T CB 1.192 69.840 68.868 -0.366 0.000 1.352 301 T HN 0.581 nan 8.240 nan 0.000 0.498 302 S N 1.030 116.488 115.700 -0.403 0.000 2.559 302 S HA 0.347 4.817 4.470 -0.000 0.000 0.226 302 S C 1.287 175.798 174.600 -0.149 0.000 1.000 302 S CA 0.289 58.358 58.200 -0.219 0.000 0.948 302 S CB 0.570 63.782 63.200 0.020 0.000 0.870 302 S HN 0.822 nan 8.310 nan 0.000 0.497 303 A N 1.470 124.189 122.820 -0.167 0.000 2.415 303 A HA 0.648 4.968 4.320 -0.000 0.000 0.248 303 A C 1.091 178.626 177.584 -0.081 0.000 1.299 303 A CA 0.206 52.181 52.037 -0.103 0.000 0.899 303 A CB -0.753 18.186 19.000 -0.102 0.000 0.997 303 A HN 0.698 nan 8.150 nan 0.000 0.506 307 Q N 1.768 121.520 119.800 -0.080 0.000 2.084 307 Q HA 0.062 4.402 4.340 -0.000 0.000 0.202 307 Q C 1.978 177.918 176.000 -0.100 0.000 0.978 307 Q CA 1.576 57.321 55.803 -0.097 0.000 0.844 307 Q CB -0.409 28.276 28.738 -0.089 0.000 0.898 307 Q HN 0.380 nan 8.270 nan 0.000 0.426 308 L N -0.170 121.002 121.223 -0.084 0.000 2.012 308 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 308 L C 2.156 178.980 176.870 -0.077 0.000 1.073 308 L CA 2.250 57.047 54.840 -0.073 0.000 0.748 308 L CB -0.820 41.227 42.059 -0.021 0.000 0.891 308 L HN 0.177 nan 8.230 nan 0.000 0.431 309 S N -0.982 114.674 115.700 -0.074 0.000 2.368 309 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 309 S C 1.823 176.332 174.600 -0.152 0.000 1.029 309 S CA 1.309 59.427 58.200 -0.136 0.000 0.988 309 S CB -0.246 62.858 63.200 -0.159 0.000 0.838 309 S HN 0.555 nan 8.310 nan 0.000 0.462 310 Q N 1.177 120.893 119.800 -0.140 0.000 2.061 310 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 310 Q C 1.444 177.381 176.000 -0.105 0.000 0.984 310 Q CA 1.022 56.747 55.803 -0.130 0.000 0.846 310 Q CB -0.243 28.393 28.738 -0.170 0.000 0.902 310 Q HN 0.719 nan 8.270 nan 0.000 0.421 314 S N -0.660 114.994 115.700 -0.075 0.000 2.402 314 S HA -0.019 4.451 4.470 -0.000 0.000 0.229 314 S C 1.578 176.151 174.600 -0.044 0.000 1.021 314 S CA 1.677 59.856 58.200 -0.035 0.000 0.974 314 S CB -0.458 62.748 63.200 0.010 0.000 0.800 314 S HN 0.671 nan 8.310 nan 0.000 0.484 315 F N 1.289 121.101 119.950 -0.231 0.000 2.146 315 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 315 F C 1.721 177.384 175.800 -0.229 0.000 1.096 315 F CA 1.379 59.231 58.000 -0.246 0.000 1.275 315 F CB -0.457 38.296 39.000 -0.413 0.000 1.008 315 F HN 0.197 nan 8.300 nan 0.000 0.480 316 Y N 0.603 120.797 120.300 -0.178 0.000 2.242 316 Y HA -0.179 4.371 4.550 -0.000 0.000 0.291 316 Y C 2.731 178.440 175.900 -0.318 0.000 1.137 316 Y CA 1.492 59.420 58.100 -0.288 0.000 1.181 316 Y CB -1.424 36.974 38.460 -0.103 0.000 0.989 316 Y HN 0.275 nan 8.280 nan 0.000 0.527 317 Q N 0.039 119.773 119.800 -0.110 0.000 2.230 317 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 317 Q C 2.126 177.974 176.000 -0.253 0.000 0.963 317 Q CA 1.320 57.011 55.803 -0.187 0.000 0.866 317 Q CB 0.055 28.676 28.738 -0.196 0.000 0.931 317 Q HN 0.607 nan 8.270 nan 0.000 0.452 318 Q N -1.498 118.099 119.800 -0.338 0.000 2.373 318 Q HA -0.043 4.297 4.340 -0.000 0.000 0.210 318 Q C 0.393 175.930 176.000 -0.773 0.000 0.913 318 Q CA 0.443 55.961 55.803 -0.475 0.000 0.911 318 Q CB 0.646 29.021 28.738 -0.605 0.000 1.040 318 Q HN 0.450 nan 8.270 nan 0.000 0.521 319 H N -1.127 117.516 119.070 -0.711 0.000 2.885 319 H HA 0.193 4.749 4.556 -0.000 0.000 0.254 319 H C 0.255 174.624 175.328 -1.599 0.000 1.185 319 H CA 0.106 55.350 56.048 -1.340 0.000 1.029 319 H CB 1.440 30.369 29.762 -1.389 0.000 1.743 319 H HN 0.225 nan 8.280 nan 0.000 0.632 320 L N -0.745 120.029 121.223 -0.749 0.000 2.406 320 L HA 0.251 4.591 4.340 -0.000 0.000 0.228 320 L C -0.118 176.778 176.870 0.043 0.000 1.081 320 L CA 0.312 55.010 54.840 -0.236 0.000 1.089 320 L CB 0.391 42.363 42.059 -0.144 0.000 2.191 320 L HN -0.186 nan 8.230 nan 0.000 0.520 321 V N 2.581 122.475 119.914 -0.033 0.000 2.843 321 V HA 0.080 4.200 4.120 -0.000 0.000 0.305 321 V C 0.577 176.635 176.094 -0.059 0.000 1.065 321 V CA -0.214 62.055 62.300 -0.051 0.000 1.116 321 V CB 0.333 32.129 31.823 -0.044 0.000 0.968 321 V HN 0.501 nan 8.190 nan 0.000 0.487 322 N N 5.869 124.463 118.700 -0.178 0.000 2.160 322 N HA -0.067 4.673 4.740 -0.000 0.000 0.283 322 N C -1.671 173.816 175.510 -0.038 0.000 1.363 322 N CA -0.729 52.222 53.050 -0.165 0.000 0.848 322 N CB 1.053 39.534 38.487 -0.011 0.000 1.127 322 N HN 0.337 nan 8.380 nan 0.000 0.493 323 P HA -0.075 nan 4.420 nan 0.000 0.222 323 P C 1.100 178.359 177.300 -0.069 0.000 1.147 323 P CA 0.771 63.853 63.100 -0.030 0.000 0.790 323 P CB 0.231 31.876 31.700 -0.092 0.000 0.780 324 R N -1.005 119.411 120.500 -0.141 0.000 2.189 324 R HA -0.001 4.339 4.340 -0.000 0.000 0.223 324 R C 0.973 176.913 176.300 -0.600 0.000 1.092 324 R CA 1.571 57.448 56.100 -0.371 0.000 0.989 324 R CB -0.954 29.101 30.300 -0.409 0.000 0.876 324 R HN 0.189 nan 8.270 nan 0.000 0.457 325 F N -2.321 117.654 119.950 0.042 0.000 2.871 325 F HA 0.416 4.943 4.527 -0.000 0.000 0.344 325 F C 1.713 177.550 175.800 0.061 0.000 1.078 325 F CA 0.111 58.154 58.000 0.072 0.000 1.149 325 F CB 0.022 39.075 39.000 0.090 0.000 1.087 325 F HN 0.029 nan 8.300 nan 0.000 0.557 326 A N 0.315 123.215 122.820 0.133 0.000 1.940 326 A HA -0.277 4.043 4.320 -0.000 0.000 0.221 326 A C 1.312 178.716 177.584 -0.301 0.000 1.190 326 A CA 2.608 54.610 52.037 -0.057 0.000 0.647 326 A CB -0.832 18.097 19.000 -0.120 0.000 0.821 326 A HN 0.564 nan 8.150 nan 0.000 0.457 327 H N -1.962 117.004 119.070 -0.173 0.000 2.893 327 H HA 0.329 4.885 4.556 -0.000 0.000 0.270 327 H C 0.269 175.358 175.328 -0.398 0.000 1.095 327 H CA 0.047 55.778 56.048 -0.529 0.000 1.186 327 H CB 0.338 29.865 29.762 -0.392 0.000 1.562 327 H HN 0.611 nan 8.280 nan 0.000 0.536 328 E N 2.249 122.505 120.200 0.094 0.000 2.259 328 E HA 0.043 4.393 4.350 -0.000 0.000 0.281 328 E C -0.453 176.415 176.600 0.447 0.000 1.037 328 E CA -0.385 56.143 56.400 0.213 0.000 0.854 328 E CB 0.687 30.511 29.700 0.206 0.000 1.051 328 E HN 0.368 nan 8.360 nan 0.000 0.409 329 E N 3.370 123.817 120.200 0.411 0.000 2.529 329 E HA -0.062 4.288 4.350 -0.000 0.000 0.259 329 E C -0.406 176.366 176.600 0.287 0.000 0.966 329 E CA 0.620 57.257 56.400 0.396 0.000 0.937 329 E CB 0.606 30.455 29.700 0.250 0.000 0.923 329 E HN 0.291 nan 8.360 nan 0.000 0.468 330 R N 3.980 124.617 120.500 0.228 0.000 2.349 330 R HA 0.233 4.573 4.340 -0.000 0.000 0.299 330 R C -2.058 174.332 176.300 0.150 0.000 1.027 330 R CA -1.680 54.528 56.100 0.179 0.000 0.958 330 R CB 0.571 30.958 30.300 0.144 0.000 1.047 330 R HN 0.386 nan 8.270 nan 0.000 0.468 331 P HA -0.002 nan 4.420 nan 0.000 0.272 331 P C -0.529 176.805 177.300 0.056 0.000 1.230 331 P CA -0.229 62.913 63.100 0.071 0.000 0.788 331 P CB 0.697 32.402 31.700 0.009 0.000 0.949 332 V N 3.297 123.256 119.914 0.075 0.000 2.455 332 V HA 0.078 4.198 4.120 -0.000 0.000 0.273 332 V C 0.754 176.828 176.094 -0.034 0.000 1.045 332 V CA 0.053 62.382 62.300 0.049 0.000 0.976 332 V CB -0.149 31.745 31.823 0.119 0.000 0.993 332 V HN 0.401 nan 8.190 nan 0.000 0.475 333 L N 4.894 126.049 121.223 -0.113 0.000 2.313 333 L HA 0.839 5.179 4.340 -0.000 0.000 0.268 333 L C -0.570 176.156 176.870 -0.239 0.000 1.010 333 L CA -0.611 54.090 54.840 -0.231 0.000 0.814 333 L CB 1.707 43.530 42.059 -0.393 0.000 1.304 333 L HN 0.516 nan 8.230 nan 0.000 0.441 334 I N 1.441 121.826 120.570 -0.308 0.000 2.608 334 I HA 0.561 4.731 4.170 -0.000 0.000 0.295 334 I C -1.544 174.225 176.117 -0.579 0.000 1.049 334 I CA -0.352 60.745 61.300 -0.339 0.000 1.063 334 I CB 1.727 39.617 38.000 -0.184 0.000 1.248 334 I HN 0.869 nan 8.210 nan 0.000 0.424 335 N N 5.596 123.991 118.700 -0.509 0.000 2.296 335 N HA 0.254 4.994 4.740 -0.000 0.000 0.294 335 N C -0.310 174.995 175.510 -0.343 0.000 1.033 335 N CA -0.587 52.172 53.050 -0.484 0.000 0.839 335 N CB 1.430 39.706 38.487 -0.351 0.000 1.395 335 N HN 0.745 nan 8.380 nan 0.000 0.479 336 N N 3.643 122.135 118.700 -0.346 0.000 2.449 336 N HA -0.077 4.663 4.740 -0.000 0.000 0.191 336 N C 1.401 176.805 175.510 -0.177 0.000 1.161 336 N CA -0.318 52.601 53.050 -0.218 0.000 0.863 336 N CB -0.114 38.261 38.487 -0.187 0.000 0.980 336 N HN 0.654 nan 8.380 nan 0.000 0.458 337 W N 2.291 123.381 121.300 -0.349 0.000 2.282 337 W HA -0.159 4.501 4.660 -0.000 0.000 0.325 337 W C 0.804 176.888 176.519 -0.724 0.000 1.211 337 W CA 1.286 58.377 57.345 -0.423 0.000 1.209 337 W CB -0.154 29.122 29.460 -0.306 0.000 1.185 337 W HN 0.125 nan 8.180 nan 0.000 0.454 338 E N 0.316 119.984 120.200 -0.886 0.000 2.515 338 E HA -0.086 4.264 4.350 -0.000 0.000 0.201 338 E C 1.953 178.125 176.600 -0.713 0.000 1.071 338 E CA 0.503 56.255 56.400 -1.080 0.000 0.880 338 E CB -0.094 29.368 29.700 -0.397 0.000 0.828 338 E HN 0.316 nan 8.360 nan 0.000 0.540 339 A N 0.748 123.266 122.820 -0.505 0.000 1.943 339 A HA -0.052 4.268 4.320 -0.000 0.000 0.213 339 A C 2.232 179.693 177.584 -0.205 0.000 1.181 339 A CA 1.439 53.322 52.037 -0.257 0.000 0.653 339 A CB 0.032 18.940 19.000 -0.153 0.000 0.833 339 A HN 0.308 nan 8.150 nan 0.000 0.451 340 T N -6.553 107.846 114.554 -0.258 0.000 3.057 340 T HA 0.358 4.708 4.350 -0.000 0.000 0.254 340 T C 0.728 175.444 174.700 0.026 0.000 0.965 340 T CA 0.483 62.564 62.100 -0.031 0.000 0.978 340 T CB -0.183 68.744 68.868 0.098 0.000 1.169 340 T HN 0.384 nan 8.240 nan 0.000 0.489 341 Y N 0.713 120.888 120.300 -0.207 0.000 2.909 341 Y HA -0.326 4.224 4.550 -0.000 0.000 0.465 341 Y C 1.081 176.959 175.900 -0.036 0.000 1.206 341 Y CA 0.733 58.598 58.100 -0.391 0.000 2.474 341 Y CB -1.502 36.639 38.460 -0.533 0.000 1.242 341 Y HN 0.156 nan 8.280 nan 0.000 0.634 342 F N -0.188 119.974 119.950 0.354 0.000 2.604 342 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 342 F C 1.235 177.012 175.800 -0.039 0.000 1.131 342 F CA 1.132 59.220 58.000 0.146 0.000 1.457 342 F CB -0.254 38.766 39.000 0.034 0.000 1.095 342 F HN 0.235 nan 8.300 nan 0.000 0.574 343 D N 1.253 121.787 120.400 0.223 0.000 2.551 343 D HA 0.158 4.798 4.640 -0.000 0.000 0.223 343 D C -0.576 175.825 176.300 0.168 0.000 1.144 343 D CA 0.011 54.078 54.000 0.112 0.000 1.025 343 D CB -0.674 40.195 40.800 0.114 0.000 1.085 343 D HN 0.120 nan 8.370 nan 0.000 0.506 344 F N 0.077 120.044 119.950 0.028 0.000 2.711 344 F HA 0.641 5.168 4.527 -0.000 0.000 0.313 344 F C -1.543 174.194 175.800 -0.106 0.000 1.141 344 F CA -1.295 56.693 58.000 -0.020 0.000 0.941 344 F CB 0.700 39.708 39.000 0.012 0.000 1.349 344 F HN 0.042 nan 8.300 nan 0.000 0.464 345 N N -1.144 117.643 118.700 0.145 0.000 2.825 345 N HA 0.227 4.966 4.740 -0.000 0.000 0.253 345 N C -0.013 175.409 175.510 -0.147 0.000 1.426 345 N CA -0.396 52.578 53.050 -0.127 0.000 0.851 345 N CB 1.288 39.678 38.487 -0.162 0.000 1.470 345 N HN 0.883 nan 8.380 nan 0.000 0.517 346 E N 0.271 120.237 120.200 -0.389 0.000 2.086 346 E HA -0.282 4.068 4.350 -0.000 0.000 0.200 346 E C 1.601 178.140 176.600 -0.102 0.000 1.012 346 E CA 2.347 58.579 56.400 -0.280 0.000 0.812 346 E CB -0.457 29.182 29.700 -0.101 0.000 0.743 346 E HN 0.640 nan 8.360 nan 0.000 0.453 347 A N 0.900 123.694 122.820 -0.044 0.000 1.908 347 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 347 A C 2.159 179.749 177.584 0.010 0.000 1.181 347 A CA 2.177 54.215 52.037 0.003 0.000 0.627 347 A CB -0.660 18.345 19.000 0.007 0.000 0.818 347 A HN 0.252 nan 8.150 nan 0.000 0.445 348 K N -0.222 120.185 120.400 0.011 0.000 2.097 348 K HA 0.025 4.345 4.320 -0.000 0.000 0.206 348 K C 0.851 177.475 176.600 0.040 0.000 1.049 348 K CA 0.754 57.063 56.287 0.037 0.000 0.933 348 K CB -0.569 31.973 32.500 0.069 0.000 0.717 348 K HN 0.484 nan 8.250 nan 0.000 0.442 352 I N 1.944 122.551 120.570 0.062 0.000 2.133 352 I HA -0.089 4.081 4.170 -0.000 0.000 0.238 352 I C 2.573 178.751 176.117 0.102 0.000 1.074 352 I CA 1.497 62.864 61.300 0.111 0.000 1.342 352 I CB -0.510 37.633 38.000 0.238 0.000 1.053 352 I HN 0.116 nan 8.210 nan 0.000 0.404 353 V N 1.373 121.309 119.914 0.036 0.000 2.370 353 V HA -0.358 3.762 4.120 -0.000 0.000 0.252 353 V C 2.007 178.090 176.094 -0.019 0.000 1.068 353 V CA 2.443 64.722 62.300 -0.035 0.000 1.061 353 V CB -1.031 30.633 31.823 -0.266 0.000 0.656 353 V HN 0.476 nan 8.190 nan 0.000 0.455 354 N N -0.723 117.967 118.700 -0.017 0.000 2.135 354 N HA -0.210 4.530 4.740 -0.000 0.000 0.186 354 N C 1.924 177.430 175.510 -0.007 0.000 1.027 354 N CA 1.097 54.137 53.050 -0.016 0.000 0.849 354 N CB -0.110 38.372 38.487 -0.010 0.000 1.002 354 N HN 0.430 nan 8.380 nan 0.000 0.425 355 Q N 1.363 121.164 119.800 0.002 0.000 2.084 355 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 355 Q C 1.851 177.842 176.000 -0.015 0.000 0.978 355 Q CA 1.791 57.591 55.803 -0.005 0.000 0.844 355 Q CB -0.378 28.360 28.738 0.000 0.000 0.898 355 Q HN 0.346 nan 8.270 nan 0.000 0.426 356 A N 0.614 123.435 122.820 0.001 0.000 1.917 356 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 356 A C 2.060 179.627 177.584 -0.028 0.000 1.182 356 A CA 2.214 54.244 52.037 -0.013 0.000 0.633 356 A CB -0.775 18.256 19.000 0.051 0.000 0.819 356 A HN 0.434 nan 8.150 nan 0.000 0.448 357 K N 0.037 120.426 120.400 -0.017 0.000 2.026 357 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 357 K C 1.988 178.575 176.600 -0.022 0.000 1.048 357 K CA 1.788 58.062 56.287 -0.022 0.000 0.929 357 K CB -0.323 32.162 32.500 -0.024 0.000 0.713 357 K HN 0.445 nan 8.250 nan 0.000 0.439 358 R N 0.071 120.559 120.500 -0.022 0.000 2.241 358 R HA 0.008 4.348 4.340 -0.000 0.000 0.224 358 R C 1.883 178.168 176.300 -0.025 0.000 1.101 358 R CA 1.026 57.114 56.100 -0.018 0.000 0.995 358 R CB -0.195 30.096 30.300 -0.015 0.000 0.870 358 R HN 0.254 nan 8.270 nan 0.000 0.463 359 L N -1.040 120.157 121.223 -0.042 0.000 2.529 359 L HA 0.162 4.502 4.340 -0.000 0.000 0.223 359 L C 1.129 177.970 176.870 -0.048 0.000 1.113 359 L CA 0.532 55.335 54.840 -0.062 0.000 0.861 359 L CB 0.274 42.260 42.059 -0.121 0.000 1.012 359 L HN 0.478 nan 8.230 nan 0.000 0.461 360 G N 0.655 109.436 108.800 -0.031 0.000 2.159 360 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.227 360 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.227 360 G C 0.282 175.177 174.900 -0.008 0.000 0.986 360 G CA -0.366 44.729 45.100 -0.010 0.000 0.651 360 G HN 0.216 nan 8.290 nan 0.000 0.523 361 I N 0.897 121.446 120.570 -0.035 0.000 2.754 361 I HA 0.285 4.455 4.170 -0.000 0.000 0.285 361 I C 1.008 177.116 176.117 -0.015 0.000 1.166 361 I CA 0.335 61.617 61.300 -0.030 0.000 1.417 361 I CB 0.605 38.565 38.000 -0.067 0.000 1.382 361 I HN 0.230 nan 8.210 nan 0.000 0.588 365 V N 6.666 126.140 119.914 -0.734 0.000 2.325 365 V HA 0.367 4.487 4.120 -0.000 0.000 0.280 365 V C -0.518 175.322 176.094 -0.424 0.000 1.016 365 V CA -0.693 61.308 62.300 -0.497 0.000 0.818 365 V CB 1.147 32.734 31.823 -0.394 0.000 1.019 365 V HN 0.702 nan 8.190 nan 0.000 0.434 366 L N 4.298 125.499 121.223 -0.036 0.000 2.477 366 L HA 0.355 4.695 4.340 -0.000 0.000 0.272 366 L C 0.088 177.017 176.870 0.098 0.000 1.157 366 L CA 0.970 55.921 54.840 0.184 0.000 0.889 366 L CB 0.551 42.849 42.059 0.398 0.000 1.158 366 L HN 0.735 nan 8.230 nan 0.000 0.473 367 D N 2.099 122.543 120.400 0.073 0.000 2.481 367 D HA 0.138 4.778 4.640 -0.000 0.000 0.283 367 D C -0.713 175.653 176.300 0.110 0.000 1.192 367 D CA -0.425 53.600 54.000 0.043 0.000 1.100 367 D CB 0.564 41.292 40.800 -0.119 0.000 1.166 367 D HN 0.679 nan 8.370 nan 0.000 0.584 368 D N -1.589 118.517 120.400 -0.491 0.000 2.533 368 D HA 0.261 4.901 4.640 -0.000 0.000 0.236 368 D C 0.604 177.050 176.300 0.243 0.000 1.137 368 D CA 1.486 55.177 54.000 -0.515 0.000 0.867 368 D CB 0.819 41.015 40.800 -1.007 0.000 1.170 368 D HN 0.596 nan 8.370 nan 0.000 0.474 369 G N 3.516 112.505 108.800 0.314 0.000 2.318 369 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.172 369 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.172 369 G C 0.995 175.990 174.900 0.157 0.000 1.002 369 G CA 0.207 45.416 45.100 0.181 0.000 0.697 369 G HN 0.576 nan 8.290 nan 0.000 0.483 370 W N 1.385 122.984 121.300 0.500 0.000 2.770 370 W HA 0.472 5.132 4.660 0.000 0.000 0.256 370 W C 0.592 177.383 176.519 0.455 0.000 1.291 370 W CA 0.355 58.062 57.345 0.604 0.000 1.396 370 W CB -0.813 29.031 29.460 0.640 0.000 1.114 370 W HN 0.312 nan 8.180 nan 0.000 0.637 371 F N 0.218 119.861 119.950 -0.511 0.000 2.450 371 F HA 0.798 5.325 4.527 -0.000 0.000 0.328 371 F C 1.256 176.842 175.800 -0.358 0.000 1.068 371 F CA -0.612 57.008 58.000 -0.632 0.000 1.007 371 F CB 0.383 38.636 39.000 -1.246 0.000 1.251 371 F HN 0.090 nan 8.300 nan 0.000 0.492 372 G N 1.452 110.107 108.800 -0.243 0.000 2.692 372 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.339 372 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.339 372 G C 0.271 175.184 174.900 0.023 0.000 1.226 372 G CA 0.841 45.851 45.100 -0.149 0.000 0.979 372 G HN 1.572 nan 8.290 nan 0.000 0.549 373 H N -0.256 118.652 119.070 -0.271 0.000 2.767 373 H HA 0.412 4.968 4.556 -0.000 0.000 0.235 373 H C 0.357 175.477 175.328 -0.346 0.000 1.256 373 H CA -0.597 55.309 56.048 -0.236 0.000 0.957 373 H CB -0.120 29.555 29.762 -0.145 0.000 2.117 373 H HN 0.337 nan 8.280 nan 0.000 0.602 374 R N 2.035 122.176 120.500 -0.599 0.000 2.808 374 R HA 0.013 4.353 4.340 -0.000 0.000 0.248 374 R C -0.351 175.691 176.300 -0.431 0.000 1.539 374 R CA 0.197 55.909 56.100 -0.647 0.000 1.071 374 R CB -0.278 29.453 30.300 -0.949 0.000 1.172 374 R HN 0.492 nan 8.270 nan 0.000 0.579 375 D N -0.245 119.910 120.400 -0.409 0.000 2.407 375 D HA 0.084 4.724 4.640 -0.000 0.000 0.208 375 D C -0.138 175.834 176.300 -0.547 0.000 1.083 375 D CA 0.338 54.139 54.000 -0.331 0.000 0.844 375 D CB 0.864 41.539 40.800 -0.209 0.000 0.967 375 D HN 0.295 nan 8.370 nan 0.000 0.506 376 D N -0.011 119.921 120.400 -0.780 0.000 2.636 376 D HA 0.098 4.738 4.640 -0.000 0.000 0.275 376 D C -0.762 174.901 176.300 -1.062 0.000 1.130 376 D CA -0.462 53.008 54.000 -0.883 0.000 1.031 376 D CB 1.675 42.197 40.800 -0.463 0.000 1.451 376 D HN -0.225 nan 8.370 nan 0.000 0.505 377 D N -0.889 119.110 120.400 -0.669 0.000 2.889 377 D HA 0.082 4.722 4.640 -0.000 0.000 0.243 377 D C 0.343 176.576 176.300 -0.111 0.000 1.270 377 D CA -0.219 53.642 54.000 -0.231 0.000 0.838 377 D CB -0.607 40.297 40.800 0.174 0.000 1.040 377 D HN 0.265 nan 8.370 nan 0.000 0.480 378 T N -3.768 110.654 114.554 -0.221 0.000 3.567 378 T HA 0.265 4.615 4.350 -0.000 0.000 0.314 378 T C 0.044 174.657 174.700 -0.145 0.000 0.942 378 T CA -0.001 62.011 62.100 -0.148 0.000 0.997 378 T CB -0.124 68.588 68.868 -0.260 0.000 1.205 378 T HN 0.254 nan 8.240 nan 0.000 0.518 379 T N -1.479 112.949 114.554 -0.210 0.000 2.957 379 T HA 0.523 4.873 4.350 -0.000 0.000 0.336 379 T C 0.104 174.544 174.700 -0.433 0.000 1.462 379 T CA 0.431 62.358 62.100 -0.287 0.000 1.073 379 T CB 1.097 69.761 68.868 -0.341 0.000 1.319 379 T HN 0.522 nan 8.240 nan 0.000 0.485 380 S N -0.017 115.415 115.700 -0.446 0.000 2.857 380 S HA -0.137 4.333 4.470 -0.000 0.000 0.268 380 S C 0.062 174.508 174.600 -0.257 0.000 1.297 380 S CA 0.540 58.448 58.200 -0.486 0.000 1.280 380 S CB -1.623 61.110 63.200 -0.777 0.000 1.562 380 S HN 1.096 nan 8.310 nan 0.000 0.661 381 L N 2.279 123.436 121.223 -0.109 0.000 2.678 381 L HA 0.456 4.796 4.340 -0.000 0.000 0.276 381 L C 1.381 178.115 176.870 -0.226 0.000 1.142 381 L CA 1.994 56.793 54.840 -0.068 0.000 0.961 381 L CB -0.525 41.602 42.059 0.114 0.000 1.291 381 L HN 0.613 nan 8.230 nan 0.000 0.476 382 G N 2.235 110.612 108.800 -0.705 0.000 2.672 382 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.197 382 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.197 382 G C 0.112 174.595 174.900 -0.696 0.000 0.995 382 G CA -0.398 44.414 45.100 -0.479 0.000 0.754 382 G HN 0.452 nan 8.290 nan 0.000 0.505 383 D N 1.008 120.874 120.400 -0.891 0.000 2.638 383 D HA 0.321 4.961 4.640 -0.000 0.000 0.245 383 D C -0.087 175.553 176.300 -1.100 0.000 1.176 383 D CA -0.544 52.912 54.000 -0.906 0.000 0.996 383 D CB -0.420 39.877 40.800 -0.839 0.000 1.012 383 D HN 0.502 nan 8.370 nan 0.000 0.515 384 W N 2.652 123.757 121.300 -0.325 0.000 1.435 384 W HA 0.165 4.825 4.660 -0.000 0.000 0.471 384 W C -0.033 176.566 176.519 0.133 0.000 0.590 384 W CA -0.934 56.322 57.345 -0.148 0.000 2.419 384 W CB -0.772 28.744 29.460 0.094 0.000 1.251 384 W HN 0.073 nan 8.180 nan 0.000 0.338 385 F N -2.482 117.679 119.950 0.350 0.000 2.643 385 F HA 0.725 5.252 4.527 -0.000 0.000 0.314 385 F C -0.281 175.782 175.800 0.438 0.000 1.096 385 F CA -3.017 55.232 58.000 0.416 0.000 0.953 385 F CB -0.048 39.118 39.000 0.275 0.000 1.345 385 F HN -0.321 nan 8.300 nan 0.000 0.468 386 V N 1.166 121.557 119.914 0.795 0.000 2.673 386 V HA 0.075 4.195 4.120 -0.000 0.000 0.303 386 V C -0.229 176.203 176.094 0.564 0.000 1.046 386 V CA 0.030 62.741 62.300 0.685 0.000 1.126 386 V CB 0.344 32.467 31.823 0.499 0.000 0.934 386 V HN 0.778 nan 8.190 nan 0.000 0.487 387 D N 3.332 124.043 120.400 0.519 0.000 2.428 387 D HA 0.200 4.840 4.640 -0.000 0.000 0.221 387 D C 0.939 177.419 176.300 0.301 0.000 1.123 387 D CA -0.097 54.108 54.000 0.342 0.000 0.869 387 D CB 1.286 42.212 40.800 0.210 0.000 1.032 387 D HN 0.592 nan 8.370 nan 0.000 0.506 388 Q N 2.321 122.259 119.800 0.230 0.000 2.364 388 Q HA -0.081 4.259 4.340 -0.000 0.000 0.207 388 Q C 1.541 177.598 176.000 0.095 0.000 0.970 388 Q CA 0.769 56.679 55.803 0.179 0.000 0.888 388 Q CB 0.321 29.143 28.738 0.140 0.000 0.951 388 Q HN 0.475 nan 8.270 nan 0.000 0.469 389 R N 0.791 121.320 120.500 0.049 0.000 2.120 389 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 389 R C 1.625 177.876 176.300 -0.082 0.000 1.123 389 R CA 1.156 57.245 56.100 -0.019 0.000 0.975 389 R CB -0.023 30.250 30.300 -0.044 0.000 0.866 389 R HN 0.164 nan 8.270 nan 0.000 0.446 390 K N -0.721 119.603 120.400 -0.127 0.000 2.380 390 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 390 K C -0.330 175.876 176.600 -0.657 0.000 1.070 390 K CA 0.231 56.284 56.287 -0.390 0.000 1.040 390 K CB 0.850 33.043 32.500 -0.513 0.000 0.903 390 K HN 0.033 nan 8.250 nan 0.000 0.549 391 F N 1.359 121.371 119.950 0.103 0.000 2.931 391 F HA 0.305 4.832 4.527 -0.000 0.000 0.375 391 F C -2.200 173.678 175.800 0.131 0.000 1.243 391 F CA -2.410 55.664 58.000 0.122 0.000 1.206 391 F CB 1.663 40.767 39.000 0.174 0.000 1.643 391 F HN -0.209 nan 8.300 nan 0.000 0.593 392 P HA -0.139 nan 4.420 nan 0.000 0.216 392 P C 0.277 177.681 177.300 0.173 0.000 1.153 392 P CA 1.556 64.752 63.100 0.161 0.000 0.858 392 P CB 0.286 32.053 31.700 0.110 0.000 0.789 393 D N -1.058 119.473 120.400 0.218 0.000 2.722 393 D HA 0.375 5.015 4.640 -0.000 0.000 0.239 393 D C 0.902 177.329 176.300 0.213 0.000 1.249 393 D CA 0.265 54.367 54.000 0.171 0.000 0.830 393 D CB -0.544 40.313 40.800 0.094 0.000 1.025 393 D HN 0.051 nan 8.370 nan 0.000 0.486 394 G N 0.629 109.572 108.800 0.238 0.000 2.894 394 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.247 394 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.247 394 G C 0.838 175.840 174.900 0.170 0.000 1.442 394 G CA -0.712 44.521 45.100 0.221 0.000 0.897 394 G HN 0.174 nan 8.290 nan 0.000 0.550 395 I N 1.652 122.259 120.570 0.062 0.000 2.353 395 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 395 I C 2.811 178.891 176.117 -0.062 0.000 1.119 395 I CA 2.146 63.381 61.300 -0.107 0.000 1.417 395 I CB -1.222 36.677 38.000 -0.167 0.000 1.078 395 I HN 0.808 nan 8.210 nan 0.000 0.421 396 E N 0.337 120.541 120.200 0.008 0.000 2.169 396 E HA -0.342 4.008 4.350 -0.000 0.000 0.202 396 E C 2.012 178.624 176.600 0.020 0.000 1.016 396 E CA 1.942 58.343 56.400 0.002 0.000 0.817 396 E CB -1.285 28.440 29.700 0.041 0.000 0.736 396 E HN 0.664 nan 8.360 nan 0.000 0.462 397 H N -0.107 118.955 119.070 -0.014 0.000 2.276 397 H HA -0.121 4.434 4.556 -0.000 0.000 0.301 397 H C 2.089 177.406 175.328 -0.018 0.000 1.073 397 H CA 1.407 57.458 56.048 0.007 0.000 1.311 397 H CB -0.241 29.562 29.762 0.068 0.000 1.379 397 H HN 0.177 nan 8.280 nan 0.000 0.494 398 F N 2.183 121.874 119.950 -0.432 0.000 2.202 398 F HA -0.215 4.312 4.527 -0.000 0.000 0.301 398 F C 2.789 178.206 175.800 -0.639 0.000 1.082 398 F CA 1.692 59.354 58.000 -0.563 0.000 1.313 398 F CB -0.610 38.139 39.000 -0.418 0.000 1.024 398 F HN 0.278 nan 8.300 nan 0.000 0.495 399 S N -0.780 114.432 115.700 -0.813 0.000 2.395 399 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 399 S C 2.071 176.475 174.600 -0.326 0.000 1.027 399 S CA 0.858 58.494 58.200 -0.940 0.000 0.965 399 S CB -0.773 61.983 63.200 -0.739 0.000 0.812 399 S HN 0.644 nan 8.310 nan 0.000 0.482 400 Q N 1.229 120.905 119.800 -0.207 0.000 2.061 400 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 400 Q C 2.313 178.251 176.000 -0.103 0.000 0.984 400 Q CA 1.689 57.448 55.803 -0.074 0.000 0.846 400 Q CB -0.667 28.072 28.738 0.002 0.000 0.902 400 Q HN 0.743 nan 8.270 nan 0.000 0.421 401 A N -0.181 122.508 122.820 -0.218 0.000 1.851 401 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 401 A C 2.240 179.661 177.584 -0.271 0.000 1.195 401 A CA 1.789 53.693 52.037 -0.222 0.000 0.622 401 A CB -1.121 17.707 19.000 -0.286 0.000 0.831 401 A HN 0.315 nan 8.150 nan 0.000 0.444 402 V N 0.091 119.715 119.914 -0.484 0.000 2.278 402 V HA -0.341 3.779 4.120 -0.000 0.000 0.251 402 V C 2.475 178.384 176.094 -0.309 0.000 1.062 402 V CA 2.371 64.386 62.300 -0.474 0.000 1.038 402 V CB -1.146 30.272 31.823 -0.675 0.000 0.646 402 V HN 0.665 nan 8.190 nan 0.000 0.447 403 H N -0.534 118.413 119.070 -0.204 0.000 2.389 403 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 403 H C 2.421 177.700 175.328 -0.081 0.000 1.081 403 H CA 1.607 57.589 56.048 -0.110 0.000 1.345 403 H CB 0.007 29.711 29.762 -0.096 0.000 1.393 403 H HN 0.532 nan 8.280 nan 0.000 0.520 404 Q N 0.256 120.070 119.800 0.023 0.000 2.364 404 Q HA -0.093 4.247 4.340 -0.000 0.000 0.207 404 Q C 1.647 177.637 176.000 -0.016 0.000 0.970 404 Q CA 0.516 56.322 55.803 0.004 0.000 0.888 404 Q CB 0.295 29.029 28.738 -0.007 0.000 0.951 404 Q HN 0.342 nan 8.270 nan 0.000 0.469 405 Q N -0.488 119.284 119.800 -0.047 0.000 2.444 405 Q HA 0.097 4.437 4.340 -0.000 0.000 0.206 405 Q C 0.600 176.577 176.000 -0.038 0.000 0.948 405 Q CA 0.708 56.480 55.803 -0.052 0.000 0.946 405 Q CB 0.565 29.252 28.738 -0.086 0.000 1.027 405 Q HN 0.404 nan 8.270 nan 0.000 0.513 409 F N 0.486 120.268 119.950 -0.280 0.000 2.540 409 F HA 0.755 5.282 4.527 -0.000 0.000 0.317 409 F C -0.457 175.319 175.800 -0.040 0.000 1.104 409 F CA -0.210 57.678 58.000 -0.188 0.000 0.913 409 F CB 2.156 41.000 39.000 -0.260 0.000 1.170 409 F HN 0.509 nan 8.300 nan 0.000 0.450 410 G N 4.800 113.094 108.800 -0.843 0.000 2.619 410 G HA2 0.679 4.639 3.960 -0.000 0.000 0.296 410 G HA3 0.679 4.639 3.960 -0.000 0.000 0.296 410 G C -2.319 172.147 174.900 -0.724 0.000 1.334 410 G CA -0.799 44.021 45.100 -0.467 0.000 0.934 410 G HN 0.986 nan 8.290 nan 0.000 0.476 411 L N -1.953 119.042 121.223 -0.380 0.000 2.403 411 L HA 0.923 5.263 4.340 -0.000 0.000 0.253 411 L C -1.592 175.227 176.870 -0.084 0.000 1.045 411 L CA -1.522 53.122 54.840 -0.327 0.000 0.845 411 L CB 1.894 43.567 42.059 -0.643 0.000 1.447 411 L HN 0.650 nan 8.230 nan 0.000 0.411 412 W N 1.496 122.692 121.300 -0.172 0.000 2.391 412 W HA 0.770 5.430 4.660 -0.000 0.000 0.311 412 W C -1.745 174.659 176.519 -0.191 0.000 1.087 412 W CA -0.406 56.917 57.345 -0.036 0.000 1.209 412 W CB 1.156 30.673 29.460 0.094 0.000 1.273 412 W HN 0.403 nan 8.180 nan 0.000 0.482 413 F N 3.433 123.035 119.950 -0.582 0.000 2.556 413 F HA 0.328 4.855 4.527 -0.000 0.000 0.327 413 F C 0.244 175.048 175.800 -1.660 0.000 1.059 413 F CA -1.031 56.272 58.000 -1.161 0.000 0.953 413 F CB 2.188 40.451 39.000 -1.229 0.000 1.227 413 F HN 0.302 nan 8.300 nan 0.000 0.478 414 E N 2.356 121.807 120.200 -1.248 0.000 3.386 414 E HA 0.295 4.645 4.350 -0.000 0.000 0.236 414 E C -2.229 174.194 176.600 -0.294 0.000 1.227 414 E CA -1.696 54.322 56.400 -0.638 0.000 0.970 414 E CB 0.791 30.353 29.700 -0.230 0.000 1.343 414 E HN 0.252 nan 8.360 nan 0.000 0.397 415 P HA -0.193 nan 4.420 nan 0.000 0.214 415 P C -0.200 177.058 177.300 -0.071 0.000 1.163 415 P CA 1.171 63.940 63.100 -0.551 0.000 0.889 415 P CB 0.252 31.326 31.700 -1.045 0.000 0.790 419 S N 3.776 119.548 115.700 0.120 0.000 2.585 419 S HA 0.504 4.974 4.470 -0.000 0.000 0.277 419 S C 0.914 175.503 174.600 -0.018 0.000 1.241 419 S CA -0.073 58.176 58.200 0.080 0.000 1.041 419 S CB 1.867 65.071 63.200 0.007 0.000 0.987 419 S HN 0.746 nan 8.310 nan 0.000 0.512 420 V N 1.462 121.311 119.914 -0.107 0.000 2.453 420 V HA -0.079 4.041 4.120 -0.000 0.000 0.247 420 V C 1.108 177.094 176.094 -0.179 0.000 1.048 420 V CA 1.337 63.367 62.300 -0.449 0.000 1.049 420 V CB -0.379 31.156 31.823 -0.480 0.000 0.672 420 V HN 0.789 nan 8.190 nan 0.000 0.457 421 D N 1.642 122.006 120.400 -0.060 0.000 2.600 421 D HA 0.196 4.836 4.640 -0.000 0.000 0.226 421 D C 0.004 176.326 176.300 0.037 0.000 1.119 421 D CA 0.416 54.428 54.000 0.020 0.000 1.051 421 D CB -0.380 40.434 40.800 0.024 0.000 1.106 421 D HN 0.531 nan 8.370 nan 0.000 0.491 422 S N 0.994 116.748 115.700 0.090 0.000 2.543 422 S HA 0.206 4.676 4.470 -0.000 0.000 0.273 422 S C 0.540 175.226 174.600 0.143 0.000 1.152 422 S CA -0.911 57.343 58.200 0.090 0.000 0.910 422 S CB 1.512 64.718 63.200 0.009 0.000 1.105 422 S HN -0.082 nan 8.310 nan 0.000 0.465 423 D N 1.643 122.134 120.400 0.152 0.000 2.191 423 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 423 D C 1.684 178.045 176.300 0.101 0.000 1.003 423 D CA 1.526 55.615 54.000 0.149 0.000 0.867 423 D CB -0.135 40.816 40.800 0.250 0.000 0.926 423 D HN 0.557 nan 8.370 nan 0.000 0.450 424 L N -0.657 120.635 121.223 0.114 0.000 2.056 424 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 424 L C 2.267 179.154 176.870 0.029 0.000 1.078 424 L CA 1.154 56.042 54.840 0.079 0.000 0.749 424 L CB -0.208 41.938 42.059 0.145 0.000 0.901 424 L HN 0.099 nan 8.230 nan 0.000 0.433 425 Y N 0.808 121.096 120.300 -0.021 0.000 2.293 425 Y HA -0.238 4.312 4.550 -0.000 0.000 0.291 425 Y C 2.509 178.354 175.900 -0.092 0.000 1.137 425 Y CA 1.464 59.541 58.100 -0.037 0.000 1.202 425 Y CB -0.123 38.330 38.460 -0.012 0.000 0.990 425 Y HN 0.313 nan 8.280 nan 0.000 0.537 426 Q N -0.745 118.975 119.800 -0.133 0.000 2.472 426 Q HA -0.090 4.250 4.340 -0.000 0.000 0.208 426 Q C 1.354 177.170 176.000 -0.307 0.000 0.958 426 Q CA 0.637 56.305 55.803 -0.225 0.000 0.932 426 Q CB 0.113 28.808 28.738 -0.071 0.000 1.007 426 Q HN 0.538 nan 8.270 nan 0.000 0.508 427 Q N -0.354 119.229 119.800 -0.362 0.000 2.396 427 Q HA 0.080 4.420 4.340 -0.000 0.000 0.220 427 Q C 0.022 175.393 176.000 -1.047 0.000 0.900 427 Q CA 0.826 56.272 55.803 -0.595 0.000 0.925 427 Q CB 0.755 29.189 28.738 -0.505 0.000 1.065 427 Q HN 0.513 nan 8.270 nan 0.000 0.535 428 H N -1.247 117.463 119.070 -0.600 0.000 2.696 428 H HA 0.188 4.744 4.556 -0.000 0.000 0.221 428 H C -2.005 173.029 175.328 -0.489 0.000 1.399 428 H CA -1.129 54.450 56.048 -0.783 0.000 1.408 428 H CB 1.074 29.750 29.762 -1.810 0.000 1.853 428 H HN -0.017 nan 8.280 nan 0.000 0.546 429 P HA -0.201 nan 4.420 nan 0.000 0.217 429 P C 1.406 178.691 177.300 -0.025 0.000 1.148 429 P CA 1.395 64.257 63.100 -0.397 0.000 0.828 429 P CB 0.282 31.637 31.700 -0.574 0.000 0.783 430 D N -2.273 118.135 120.400 0.014 0.000 2.392 430 D HA -0.173 4.467 4.640 -0.000 0.000 0.228 430 D C 0.941 177.474 176.300 0.388 0.000 1.003 430 D CA 0.543 54.649 54.000 0.176 0.000 0.917 430 D CB -0.779 40.118 40.800 0.162 0.000 0.890 430 D HN 0.213 nan 8.370 nan 0.000 0.532 431 W N 0.520 121.872 121.300 0.087 0.000 2.812 431 W HA 0.292 4.952 4.660 -0.000 0.000 0.263 431 W C 0.468 177.069 176.519 0.136 0.000 1.284 431 W CA -0.747 56.650 57.345 0.087 0.000 1.430 431 W CB -0.603 28.885 29.460 0.046 0.000 1.088 431 W HN -0.091 nan 8.180 nan 0.000 0.623 432 L N 1.266 122.713 121.223 0.374 0.000 2.534 432 L HA 0.004 4.344 4.340 -0.000 0.000 0.271 432 L C 0.623 177.670 176.870 0.295 0.000 1.178 432 L CA 0.282 55.303 54.840 0.302 0.000 0.907 432 L CB -0.004 42.182 42.059 0.213 0.000 1.164 432 L HN -0.231 nan 8.230 nan 0.000 0.482 433 I N 5.388 126.135 120.570 0.295 0.000 2.769 433 I HA -0.068 4.102 4.170 -0.000 0.000 0.285 433 I C 0.282 176.605 176.117 0.342 0.000 1.173 433 I CA 0.692 62.168 61.300 0.293 0.000 1.389 433 I CB -0.546 37.612 38.000 0.262 0.000 1.404 433 I HN 0.572 nan 8.210 nan 0.000 0.544 434 H N 5.901 125.104 119.070 0.221 0.000 2.947 434 H HA 0.513 5.069 4.556 -0.000 0.000 0.354 434 H C -1.238 174.181 175.328 0.151 0.000 1.085 434 H CA -0.878 55.266 56.048 0.160 0.000 1.253 434 H CB 1.902 31.719 29.762 0.092 0.000 1.757 434 H HN 0.612 nan 8.280 nan 0.000 0.523 435 A N 6.172 128.687 122.820 -0.508 0.000 2.362 435 A HA 0.314 4.634 4.320 -0.000 0.000 0.276 435 A C -1.673 175.414 177.584 -0.827 0.000 1.153 435 A CA -1.355 50.351 52.037 -0.552 0.000 0.813 435 A CB 0.398 19.224 19.000 -0.291 0.000 1.081 435 A HN 0.643 nan 8.150 nan 0.000 0.507 436 P HA -0.237 nan 4.420 nan 0.000 0.224 436 P C 0.788 177.973 177.300 -0.192 0.000 1.153 436 P CA 1.975 64.829 63.100 -0.410 0.000 0.947 436 P CB 0.205 31.623 31.700 -0.471 0.000 0.790 437 K N -1.483 118.797 120.400 -0.200 0.000 2.373 437 K HA 0.138 4.458 4.320 -0.000 0.000 0.202 437 K C 0.504 177.088 176.600 -0.026 0.000 1.025 437 K CA -0.090 56.157 56.287 -0.066 0.000 1.115 437 K CB 0.205 32.666 32.500 -0.064 0.000 0.858 437 K HN 0.208 nan 8.250 nan 0.000 0.525 438 S N -0.679 114.964 115.700 -0.096 0.000 2.652 438 S HA 0.255 4.725 4.470 -0.000 0.000 0.270 438 S C 0.154 174.846 174.600 0.154 0.000 1.243 438 S CA -0.716 57.471 58.200 -0.023 0.000 0.999 438 S CB 1.242 64.374 63.200 -0.114 0.000 0.973 438 S HN 0.034 nan 8.310 nan 0.000 0.544 439 T N 3.554 118.179 114.554 0.118 0.000 2.723 439 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 439 T C -2.563 172.247 174.700 0.184 0.000 0.925 439 T CA -0.872 61.310 62.100 0.138 0.000 1.030 439 T CB 0.280 69.199 68.868 0.086 0.000 0.905 439 T HN 0.482 nan 8.240 nan 0.000 0.502 440 P HA 0.132 nan 4.420 nan 0.000 0.263 440 P C -0.270 177.246 177.300 0.360 0.000 1.195 440 P CA -0.014 63.266 63.100 0.301 0.000 0.762 440 P CB 0.293 32.026 31.700 0.055 0.000 0.799 441 T N 6.317 121.088 114.554 0.361 0.000 2.770 441 T HA 0.365 4.715 4.350 -0.000 0.000 0.297 441 T C -2.214 172.525 174.700 0.066 0.000 0.997 441 T CA -1.573 60.645 62.100 0.196 0.000 0.949 441 T CB 0.448 69.383 68.868 0.113 0.000 0.941 441 T HN 0.294 nan 8.240 nan 0.000 0.457 442 P HA 0.391 nan 4.420 nan 0.000 0.274 442 P C -0.329 176.740 177.300 -0.386 0.000 1.231 442 P CA -0.365 62.413 63.100 -0.537 0.000 0.790 442 P CB 0.869 32.389 31.700 -0.300 0.000 0.951 443 G N 1.504 110.026 108.800 -0.463 0.000 2.702 443 G HA2 0.370 4.330 3.960 -0.000 0.000 0.295 443 G HA3 0.370 4.330 3.960 -0.000 0.000 0.295 443 G C -0.046 174.659 174.900 -0.325 0.000 1.446 443 G CA -0.828 44.090 45.100 -0.303 0.000 0.983 443 G HN 0.613 nan 8.290 nan 0.000 0.520 444 R N 2.534 122.797 120.500 -0.394 0.000 3.387 444 R HA -0.256 4.084 4.340 -0.000 0.000 0.254 444 R C 0.131 176.213 176.300 -0.363 0.000 1.006 444 R CA 1.169 57.010 56.100 -0.431 0.000 0.677 444 R CB -1.941 28.280 30.300 -0.131 0.000 1.063 444 R HN 1.153 nan 8.270 nan 0.000 0.453 445 H N -2.303 116.678 119.070 -0.147 0.000 2.839 445 H HA -0.242 4.314 4.556 -0.000 0.000 0.298 445 H C 0.187 175.417 175.328 -0.163 0.000 1.224 445 H CA 1.593 57.555 56.048 -0.143 0.000 1.144 445 H CB -1.407 28.308 29.762 -0.078 0.000 1.372 445 H HN 0.829 nan 8.280 nan 0.000 0.408 446 Q N -1.141 118.483 119.800 -0.294 0.000 2.648 446 Q HA 0.746 5.086 4.340 -0.000 0.000 0.300 446 Q C -1.520 174.115 176.000 -0.607 0.000 0.954 446 Q CA -1.106 54.569 55.803 -0.214 0.000 0.757 446 Q CB 1.987 30.726 28.738 0.002 0.000 1.482 446 Q HN 0.063 nan 8.270 nan 0.000 0.437 447 F N -0.471 119.523 119.950 0.073 0.000 2.675 447 F HA 0.670 5.197 4.527 -0.000 0.000 0.324 447 F C -0.532 175.355 175.800 0.144 0.000 1.106 447 F CA -0.989 57.070 58.000 0.099 0.000 0.970 447 F CB 2.018 41.070 39.000 0.088 0.000 1.385 447 F HN 0.467 nan 8.300 nan 0.000 0.489 448 V N 2.451 122.587 119.914 0.369 0.000 2.483 448 V HA 0.622 4.742 4.120 -0.000 0.000 0.295 448 V C -0.710 175.582 176.094 0.329 0.000 1.035 448 V CA -0.756 61.735 62.300 0.319 0.000 0.896 448 V CB 1.402 33.398 31.823 0.289 0.000 0.986 448 V HN 0.639 nan 8.190 nan 0.000 0.447 449 L N 4.488 125.891 121.223 0.300 0.000 2.426 449 L HA 0.334 4.674 4.340 -0.000 0.000 0.271 449 L C 0.779 177.765 176.870 0.192 0.000 1.169 449 L CA -0.031 54.952 54.840 0.238 0.000 0.836 449 L CB 0.421 42.582 42.059 0.170 0.000 1.112 449 L HN 0.787 nan 8.230 nan 0.000 0.465 453 R N 0.892 121.301 120.500 -0.151 0.000 2.221 453 R HA 0.436 4.776 4.340 -0.000 0.000 0.327 453 R C -2.135 174.044 176.300 -0.201 0.000 1.033 453 R CA -1.761 54.231 56.100 -0.181 0.000 0.887 453 R CB 0.892 31.026 30.300 -0.277 0.000 1.057 453 R HN 0.036 nan 8.270 nan 0.000 0.455 454 P HA -0.213 nan 4.420 nan 0.000 0.222 454 P C 0.798 178.028 177.300 -0.117 0.000 1.147 454 P CA 0.982 64.019 63.100 -0.105 0.000 0.790 454 P CB 0.251 31.918 31.700 -0.056 0.000 0.780 455 E N -0.295 119.817 120.200 -0.147 0.000 2.150 455 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 455 E C 1.732 178.165 176.600 -0.278 0.000 0.985 455 E CA 1.194 57.524 56.400 -0.117 0.000 0.814 455 E CB -1.266 28.422 29.700 -0.019 0.000 0.752 455 E HN 0.099 nan 8.360 nan 0.000 0.466 456 V N 1.764 121.336 119.914 -0.570 0.000 2.307 456 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 456 V C 2.724 178.673 176.094 -0.243 0.000 1.045 456 V CA 1.446 63.315 62.300 -0.719 0.000 1.024 456 V CB -0.342 31.004 31.823 -0.795 0.000 0.651 456 V HN 0.105 nan 8.190 nan 0.000 0.449 457 V N 0.312 120.115 119.914 -0.184 0.000 2.392 457 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 457 V C 2.285 178.384 176.094 0.008 0.000 1.059 457 V CA 2.159 64.403 62.300 -0.092 0.000 1.051 457 V CB -0.743 31.019 31.823 -0.101 0.000 0.658 457 V HN 0.549 nan 8.190 nan 0.000 0.455 458 D N -0.999 119.416 120.400 0.024 0.000 2.117 458 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 458 D C 1.938 178.362 176.300 0.207 0.000 0.987 458 D CA 1.538 55.603 54.000 0.109 0.000 0.829 458 D CB -0.303 40.550 40.800 0.089 0.000 0.961 458 D HN 0.599 nan 8.370 nan 0.000 0.460 459 Y N 1.193 121.548 120.300 0.092 0.000 2.242 459 Y HA -0.107 4.443 4.550 0.000 0.000 0.291 459 Y C 2.104 178.085 175.900 0.135 0.000 1.137 459 Y CA 1.230 59.433 58.100 0.172 0.000 1.181 459 Y CB -0.236 38.405 38.460 0.301 0.000 0.989 459 Y HN -0.088 nan 8.280 nan 0.000 0.527 460 L N -1.486 119.781 121.223 0.074 0.000 2.095 460 L HA -0.126 4.214 4.340 -0.000 0.000 0.204 460 L C 2.314 179.072 176.870 -0.187 0.000 1.080 460 L CA 1.252 56.026 54.840 -0.111 0.000 0.759 460 L CB -0.792 41.190 42.059 -0.129 0.000 0.914 460 L HN 0.274 nan 8.230 nan 0.000 0.439 461 F N 1.434 121.274 119.950 -0.183 0.000 2.095 461 F HA -0.305 4.222 4.527 -0.000 0.000 0.298 461 F C 2.655 178.387 175.800 -0.114 0.000 1.104 461 F CA 2.049 59.959 58.000 -0.150 0.000 1.232 461 F CB -0.147 38.810 39.000 -0.071 0.000 0.987 461 F HN -0.096 nan 8.300 nan 0.000 0.475 462 K N 0.707 121.108 120.400 0.002 0.000 2.026 462 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 462 K C 1.177 177.654 176.600 -0.205 0.000 1.048 462 K CA 0.858 57.099 56.287 -0.076 0.000 0.929 462 K CB -0.415 32.128 32.500 0.071 0.000 0.713 462 K HN 0.336 nan 8.250 nan 0.000 0.439 469 E N 0.932 121.038 120.200 -0.157 0.000 2.072 469 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 469 E C 1.953 178.554 176.600 0.001 0.000 0.982 469 E CA 1.684 58.076 56.400 -0.013 0.000 0.803 469 E CB 0.076 29.808 29.700 0.054 0.000 0.755 469 E HN 0.348 nan 8.360 nan 0.000 0.453 470 S N 0.337 116.038 115.700 0.002 0.000 2.368 470 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 470 S C 1.809 176.415 174.600 0.010 0.000 1.029 470 S CA 1.292 59.505 58.200 0.021 0.000 0.988 470 S CB 0.047 63.276 63.200 0.048 0.000 0.838 470 S HN 0.264 nan 8.310 nan 0.000 0.462 471 A N 0.644 123.471 122.820 0.011 0.000 2.430 471 A HA 0.377 4.697 4.320 -0.000 0.000 0.243 471 A C 0.356 177.967 177.584 0.045 0.000 1.254 471 A CA -0.165 51.880 52.037 0.014 0.000 0.914 471 A CB -0.246 18.780 19.000 0.044 0.000 0.998 471 A HN 0.607 nan 8.150 nan 0.000 0.515 472 N N 0.409 119.117 118.700 0.013 0.000 2.705 472 N HA -0.145 4.595 4.740 -0.000 0.000 0.255 472 N C -0.519 175.064 175.510 0.122 0.000 1.008 472 N CA 0.668 53.724 53.050 0.010 0.000 0.742 472 N CB -1.307 37.108 38.487 -0.120 0.000 0.906 472 N HN 0.548 nan 8.380 nan 0.000 0.541 473 L N 0.424 121.708 121.223 0.102 0.000 2.485 473 L HA 0.039 4.379 4.340 -0.000 0.000 0.275 473 L C 1.573 178.501 176.870 0.096 0.000 1.207 473 L CA 0.315 55.229 54.840 0.123 0.000 0.855 473 L CB 0.398 42.458 42.059 0.002 0.000 1.114 473 L HN 0.123 nan 8.230 nan 0.000 0.485 474 D N 1.113 121.587 120.400 0.123 0.000 2.389 474 D HA 0.042 4.682 4.640 -0.000 0.000 0.206 474 D C -0.583 175.761 176.300 0.073 0.000 1.055 474 D CA 0.697 54.768 54.000 0.118 0.000 0.856 474 D CB 0.849 41.733 40.800 0.140 0.000 0.957 474 D HN 0.410 nan 8.370 nan 0.000 0.509 475 Y N 0.212 120.395 120.300 -0.195 0.000 2.521 475 Y HA 0.382 4.932 4.550 -0.000 0.000 0.326 475 Y C -2.251 173.471 175.900 -0.297 0.000 1.176 475 Y CA -0.855 57.076 58.100 -0.282 0.000 1.079 475 Y CB 0.972 39.301 38.460 -0.218 0.000 1.341 475 Y HN -0.293 nan 8.280 nan 0.000 0.456 476 I N 5.744 125.855 120.570 -0.764 0.000 2.534 476 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 476 I C -1.108 174.696 176.117 -0.521 0.000 1.077 476 I CA -0.957 60.075 61.300 -0.447 0.000 1.051 476 I CB 2.093 39.957 38.000 -0.226 0.000 1.234 476 I HN 0.546 nan 8.210 nan 0.000 0.425 477 K N 6.360 126.604 120.400 -0.259 0.000 2.267 477 K HA 0.147 4.467 4.320 -0.000 0.000 0.282 477 K C -1.190 175.367 176.600 -0.071 0.000 1.078 477 K CA -0.491 55.727 56.287 -0.115 0.000 0.903 477 K CB 0.897 33.448 32.500 0.084 0.000 1.111 477 K HN 0.498 nan 8.250 nan 0.000 0.475 478 W N 7.023 128.206 121.300 -0.195 0.000 2.298 478 W HA 0.249 4.909 4.660 -0.000 0.000 0.327 478 W C -0.856 175.514 176.519 -0.248 0.000 0.988 478 W CA -1.000 56.189 57.345 -0.260 0.000 1.448 478 W CB 0.163 29.528 29.460 -0.158 0.000 1.243 478 W HN 0.637 nan 8.180 nan 0.000 0.388 482 R N -0.944 119.492 120.500 -0.108 0.000 2.781 482 R HA 0.494 4.834 4.340 -0.000 0.000 0.269 482 R C -1.880 174.280 176.300 -0.233 0.000 1.025 482 R CA -0.669 55.307 56.100 -0.207 0.000 0.914 482 R CB 0.847 31.079 30.300 -0.113 0.000 1.236 482 R HN -0.205 nan 8.270 nan 0.000 0.465 483 Y N 0.494 120.819 120.300 0.041 0.000 2.342 483 Y HA 0.585 5.135 4.550 -0.000 0.000 0.334 483 Y C 0.658 176.565 175.900 0.012 0.000 1.067 483 Y CA -0.521 57.598 58.100 0.031 0.000 1.128 483 Y CB 1.884 40.368 38.460 0.039 0.000 1.200 483 Y HN 0.875 nan 8.280 nan 0.000 0.464 484 A N 2.120 125.039 122.820 0.164 0.000 2.448 484 A HA 0.516 4.836 4.320 -0.000 0.000 0.239 484 A C 0.237 177.884 177.584 0.106 0.000 1.080 484 A CA 0.349 52.446 52.037 0.100 0.000 0.779 484 A CB 0.120 19.128 19.000 0.014 0.000 1.026 484 A HN 0.716 nan 8.150 nan 0.000 0.499 485 T N 0.327 114.953 114.554 0.121 0.000 2.894 485 T HA 0.525 4.875 4.350 -0.000 0.000 0.309 485 T C -0.814 173.967 174.700 0.135 0.000 1.208 485 T CA 0.033 62.202 62.100 0.115 0.000 1.016 485 T CB 0.761 69.698 68.868 0.115 0.000 1.192 485 T HN 0.951 nan 8.240 nan 0.000 0.491 489 S N 1.991 117.390 115.700 -0.502 0.000 2.647 489 S HA 0.429 4.899 4.470 -0.000 0.000 0.300 489 S C 0.360 174.740 174.600 -0.367 0.000 1.129 489 S CA 0.068 58.126 58.200 -0.237 0.000 1.029 489 S CB 1.353 64.451 63.200 -0.171 0.000 1.007 489 S HN 0.857 nan 8.310 nan 0.000 0.484 490 S N 4.298 120.014 115.700 0.027 0.000 2.481 490 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 490 S C 1.679 176.288 174.600 0.015 0.000 0.996 490 S CA 0.338 58.608 58.200 0.118 0.000 0.942 490 S CB -0.291 63.046 63.200 0.229 0.000 0.768 490 S HN 0.671 nan 8.310 nan 0.000 0.520 491 R N 1.285 121.771 120.500 -0.024 0.000 2.235 491 R HA 0.277 4.617 4.340 -0.000 0.000 0.213 491 R C 0.201 176.456 176.300 -0.076 0.000 1.059 491 R CA 0.544 56.624 56.100 -0.032 0.000 0.997 491 R CB -0.648 29.630 30.300 -0.036 0.000 0.884 491 R HN 0.496 nan 8.270 nan 0.000 0.462 492 L N 0.295 121.433 121.223 -0.142 0.000 2.330 492 L HA 0.415 4.755 4.340 -0.000 0.000 0.271 492 L C 0.629 177.397 176.870 -0.169 0.000 1.013 492 L CA -0.924 53.814 54.840 -0.170 0.000 0.816 492 L CB 1.768 43.696 42.059 -0.217 0.000 1.287 492 L HN 0.075 nan 8.230 nan 0.000 0.435 493 T N -2.301 112.170 114.554 -0.138 0.000 2.729 493 T HA 0.114 4.464 4.350 -0.000 0.000 0.298 493 T C 1.167 175.801 174.700 -0.109 0.000 1.013 493 T CA -0.236 61.806 62.100 -0.097 0.000 0.957 493 T CB 0.877 69.697 68.868 -0.080 0.000 1.130 493 T HN 0.556 nan 8.240 nan 0.000 0.526 494 S N 0.523 116.194 115.700 -0.048 0.000 2.368 494 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 494 S C 1.682 176.244 174.600 -0.064 0.000 1.030 494 S CA 1.238 59.426 58.200 -0.021 0.000 0.999 494 S CB -0.567 62.642 63.200 0.015 0.000 0.844 494 S HN 0.745 nan 8.310 nan 0.000 0.459 495 D N 1.326 121.675 120.400 -0.085 0.000 2.224 495 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 495 D C 1.655 177.856 176.300 -0.165 0.000 0.965 495 D CA 0.766 54.700 54.000 -0.111 0.000 0.852 495 D CB -0.190 40.544 40.800 -0.110 0.000 0.947 495 D HN 0.502 nan 8.370 nan 0.000 0.494 496 Q N 0.083 119.769 119.800 -0.191 0.000 2.403 496 Q HA 0.019 4.358 4.340 -0.000 0.000 0.203 496 Q C 1.605 177.471 176.000 -0.223 0.000 0.932 496 Q CA 0.082 55.734 55.803 -0.252 0.000 0.945 496 Q CB 0.368 28.948 28.738 -0.264 0.000 1.045 496 Q HN 0.191 nan 8.270 nan 0.000 0.511 497 Q N 0.388 120.076 119.800 -0.187 0.000 2.170 497 Q HA -0.074 4.266 4.340 -0.000 0.000 0.203 497 Q C 1.626 177.564 176.000 -0.104 0.000 0.976 497 Q CA 0.948 56.647 55.803 -0.174 0.000 0.858 497 Q CB 0.016 28.667 28.738 -0.145 0.000 0.907 497 Q HN 0.465 nan 8.270 nan 0.000 0.433 498 L N 0.617 121.774 121.223 -0.111 0.000 2.675 498 L HA -0.058 4.282 4.340 -0.000 0.000 0.238 498 L C 1.248 178.077 176.870 -0.067 0.000 1.155 498 L CA 0.455 55.245 54.840 -0.083 0.000 0.881 498 L CB -0.053 41.923 42.059 -0.137 0.000 1.008 498 L HN 0.136 nan 8.230 nan 0.000 0.443 499 E N -0.590 119.570 120.200 -0.067 0.000 2.498 499 E HA 0.034 4.384 4.350 -0.000 0.000 0.203 499 E C 1.916 178.630 176.600 0.190 0.000 1.013 499 E CA -0.187 56.252 56.400 0.065 0.000 0.927 499 E CB 0.544 30.111 29.700 -0.221 0.000 1.012 499 E HN 0.428 nan 8.360 nan 0.000 0.482 500 L N 1.377 122.663 121.223 0.105 0.000 2.005 500 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 500 L C -0.812 176.191 176.870 0.221 0.000 1.072 500 L CA 1.564 56.478 54.840 0.123 0.000 0.744 500 L CB -0.734 41.356 42.059 0.053 0.000 0.895 500 L HN 0.077 nan 8.230 nan 0.000 0.433 501 P HA -0.244 nan 4.420 nan 0.000 0.214 501 P C 1.452 178.972 177.300 0.367 0.000 1.163 501 P CA 1.622 64.862 63.100 0.233 0.000 0.889 501 P CB -0.284 31.553 31.700 0.229 0.000 0.790 502 H N -0.467 118.844 119.070 0.402 0.000 2.389 502 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 502 H C 2.053 177.616 175.328 0.392 0.000 1.081 502 H CA 1.201 57.530 56.048 0.468 0.000 1.345 502 H CB 0.201 30.320 29.762 0.595 0.000 1.393 502 H HN -0.020 nan 8.280 nan 0.000 0.520 503 R N -0.522 120.180 120.500 0.337 0.000 2.075 503 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 503 R C 2.279 178.643 176.300 0.107 0.000 1.126 503 R CA 1.384 57.605 56.100 0.201 0.000 0.963 503 R CB -0.476 29.962 30.300 0.231 0.000 0.858 503 R HN 0.346 nan 8.270 nan 0.000 0.435 504 Y N 1.336 121.653 120.300 0.027 0.000 2.165 504 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 504 Y C 2.012 177.851 175.900 -0.102 0.000 1.155 504 Y CA 1.311 59.401 58.100 -0.017 0.000 1.164 504 Y CB -0.182 38.291 38.460 0.023 0.000 0.978 504 Y HN -0.056 nan 8.280 nan 0.000 0.513 505 I N 0.328 120.993 120.570 0.158 0.000 2.179 505 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 505 I C 2.401 178.246 176.117 -0.455 0.000 1.088 505 I CA 1.395 62.583 61.300 -0.187 0.000 1.357 505 I CB -1.266 36.599 38.000 -0.225 0.000 1.051 505 I HN 0.359 nan 8.210 nan 0.000 0.409 506 L N 0.106 121.164 121.223 -0.275 0.000 2.081 506 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 506 L C 2.571 179.368 176.870 -0.123 0.000 1.080 506 L CA 1.554 56.309 54.840 -0.142 0.000 0.754 506 L CB -1.339 40.661 42.059 -0.099 0.000 0.893 506 L HN 0.307 nan 8.230 nan 0.000 0.433 507 G N -0.307 108.391 108.800 -0.170 0.000 2.446 507 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 507 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 507 G C 1.611 176.391 174.900 -0.199 0.000 1.168 507 G CA 0.977 45.965 45.100 -0.188 0.000 0.771 507 G HN 0.191 nan 8.290 nan 0.000 0.551 508 V N 0.117 119.853 119.914 -0.296 0.000 2.287 508 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 508 V C 2.534 178.569 176.094 -0.099 0.000 1.053 508 V CA 1.703 63.889 62.300 -0.190 0.000 1.027 508 V CB -0.697 30.976 31.823 -0.249 0.000 0.646 508 V HN 0.414 nan 8.190 nan 0.000 0.447 509 Y N 0.027 120.245 120.300 -0.136 0.000 2.128 509 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 509 Y C 2.726 178.508 175.900 -0.195 0.000 1.154 509 Y CA 0.937 58.898 58.100 -0.232 0.000 1.149 509 Y CB -1.158 37.250 38.460 -0.086 0.000 0.976 509 Y HN 0.229 nan 8.280 nan 0.000 0.505 510 Q N 0.107 119.935 119.800 0.047 0.000 2.118 510 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 510 Q C 2.563 178.552 176.000 -0.017 0.000 0.998 510 Q CA 1.562 57.367 55.803 0.003 0.000 0.872 510 Q CB -0.977 27.743 28.738 -0.030 0.000 0.925 510 Q HN 0.515 nan 8.270 nan 0.000 0.414 511 L N -0.967 120.247 121.223 -0.016 0.000 2.056 511 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 511 L C 2.135 179.001 176.870 -0.006 0.000 1.078 511 L CA 1.213 56.057 54.840 0.007 0.000 0.749 511 L CB -0.257 41.812 42.059 0.016 0.000 0.901 511 L HN 0.270 nan 8.230 nan 0.000 0.433 512 Y N -0.702 119.492 120.300 -0.176 0.000 2.314 512 Y HA -0.178 4.372 4.550 -0.000 0.000 0.293 512 Y C 2.547 178.245 175.900 -0.337 0.000 1.129 512 Y CA 1.065 58.896 58.100 -0.448 0.000 1.201 512 Y CB -0.125 37.708 38.460 -1.045 0.000 0.999 512 Y HN 0.253 nan 8.280 nan 0.000 0.541 513 A N 0.188 122.946 122.820 -0.103 0.000 1.898 513 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 513 A C 2.139 179.816 177.584 0.154 0.000 1.181 513 A CA 1.583 53.717 52.037 0.161 0.000 0.620 513 A CB -0.394 18.714 19.000 0.181 0.000 0.819 513 A HN 0.381 nan 8.150 nan 0.000 0.442 514 R N -0.693 119.863 120.500 0.094 0.000 2.093 514 R HA 0.155 4.495 4.340 -0.000 0.000 0.224 514 R C 1.998 178.507 176.300 0.348 0.000 1.101 514 R CA 0.946 57.102 56.100 0.093 0.000 0.979 514 R CB -0.353 29.848 30.300 -0.166 0.000 0.877 514 R HN 0.468 nan 8.270 nan 0.000 0.441 515 L N 0.257 121.699 121.223 0.366 0.000 2.056 515 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 515 L C 2.589 179.733 176.870 0.457 0.000 1.078 515 L CA 1.714 56.809 54.840 0.426 0.000 0.749 515 L CB -0.751 41.421 42.059 0.188 0.000 0.901 515 L HN 0.371 nan 8.230 nan 0.000 0.433 516 T N -3.672 111.089 114.554 0.344 0.000 2.951 516 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 516 T C 1.716 176.588 174.700 0.287 0.000 1.073 516 T CA 0.638 62.978 62.100 0.400 0.000 1.134 516 T CB -0.126 68.976 68.868 0.390 0.000 0.884 516 T HN 0.370 nan 8.240 nan 0.000 0.479 517 Q N 0.888 120.821 119.800 0.221 0.000 2.137 517 Q HA 0.215 4.555 4.340 -0.000 0.000 0.198 517 Q C 2.658 178.702 176.000 0.073 0.000 0.960 517 Q CA 1.261 57.140 55.803 0.126 0.000 0.847 517 Q CB -0.262 28.530 28.738 0.090 0.000 0.915 517 Q HN 0.719 nan 8.270 nan 0.000 0.448 518 A N -0.031 122.841 122.820 0.086 0.000 2.021 518 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 518 A C 0.211 177.515 177.584 -0.466 0.000 1.163 518 A CA 0.570 52.498 52.037 -0.182 0.000 0.676 518 A CB 0.128 19.039 19.000 -0.149 0.000 0.818 518 A HN 0.348 nan 8.150 nan 0.000 0.453 519 Y N -0.917 119.482 120.300 0.165 0.000 2.477 519 Y HA 0.283 4.833 4.550 -0.000 0.000 0.340 519 Y C -1.984 174.020 175.900 0.173 0.000 0.987 519 Y CA -1.874 56.308 58.100 0.137 0.000 1.127 519 Y CB 0.815 39.341 38.460 0.111 0.000 1.139 519 Y HN 0.172 nan 8.280 nan 0.000 0.637 520 P HA -0.073 nan 4.420 nan 0.000 0.231 520 P C 0.272 177.705 177.300 0.222 0.000 1.158 520 P CA 1.108 64.337 63.100 0.214 0.000 0.763 520 P CB 0.465 32.221 31.700 0.093 0.000 0.805 521 N N -0.558 118.275 118.700 0.221 0.000 2.336 521 N HA 0.047 4.787 4.740 -0.000 0.000 0.189 521 N C 0.056 175.778 175.510 0.353 0.000 1.113 521 N CA 0.093 53.282 53.050 0.233 0.000 0.858 521 N CB 0.306 38.884 38.487 0.152 0.000 0.970 521 N HN 0.053 nan 8.380 nan 0.000 0.471 522 V N 2.154 122.238 119.914 0.282 0.000 2.406 522 V HA 0.156 4.276 4.120 -0.000 0.000 0.272 522 V C 0.001 176.049 176.094 -0.076 0.000 1.043 522 V CA -0.868 61.447 62.300 0.025 0.000 0.915 522 V CB 1.457 33.154 31.823 -0.209 0.000 0.988 522 V HN 0.048 nan 8.190 nan 0.000 0.466 523 L N 7.174 128.226 121.223 -0.285 0.000 2.315 523 L HA 0.441 4.781 4.340 -0.000 0.000 0.283 523 L C -0.622 175.892 176.870 -0.594 0.000 1.089 523 L CA 0.299 54.749 54.840 -0.650 0.000 0.833 523 L CB -0.113 41.645 42.059 -0.502 0.000 1.170 523 L HN 0.418 nan 8.230 nan 0.000 0.442 524 F N 3.817 123.611 119.950 -0.260 0.000 2.405 524 F HA 0.329 4.856 4.527 0.000 0.000 0.355 524 F C 0.641 176.302 175.800 -0.231 0.000 1.121 524 F CA -0.438 57.445 58.000 -0.195 0.000 1.112 524 F CB 0.989 40.049 39.000 0.099 0.000 1.126 524 F HN 0.489 nan 8.300 nan 0.000 0.481 525 E N 2.704 122.777 120.200 -0.212 0.000 2.115 525 E HA 0.238 4.588 4.350 -0.000 0.000 0.282 525 E C -0.219 176.402 176.600 0.035 0.000 0.987 525 E CA -0.464 55.898 56.400 -0.063 0.000 0.797 525 E CB 0.842 30.540 29.700 -0.003 0.000 1.086 525 E HN 0.582 nan 8.360 nan 0.000 0.397 526 S N 3.769 119.480 115.700 0.019 0.000 2.576 526 S HA 0.297 4.767 4.470 -0.000 0.000 0.276 526 S C -0.438 174.204 174.600 0.071 0.000 1.339 526 S CA -0.597 57.593 58.200 -0.017 0.000 1.039 526 S CB 1.004 64.097 63.200 -0.178 0.000 0.902 526 S HN 0.628 nan 8.310 nan 0.000 0.516 527 C N 2.344 121.698 119.300 0.091 0.000 3.170 527 C HA 0.826 5.286 4.460 -0.000 0.000 0.319 527 C C -0.919 174.177 174.990 0.177 0.000 1.260 527 C CA 0.294 59.433 59.018 0.202 0.000 1.374 527 C CB 0.893 28.781 27.740 0.248 0.000 1.739 527 C HN 1.420 nan 8.230 nan 0.000 0.479 528 A N 3.338 126.296 122.820 0.229 0.000 3.277 528 A HA 0.592 4.912 4.320 -0.000 0.000 0.281 528 A C 0.279 178.078 177.584 0.357 0.000 1.179 528 A CA 0.555 52.716 52.037 0.207 0.000 0.879 528 A CB -0.100 18.953 19.000 0.088 0.000 1.374 528 A HN 1.864 nan 8.150 nan 0.000 0.590 529 S N -0.044 115.914 115.700 0.430 0.000 3.614 529 S HA 0.015 4.485 4.470 -0.000 0.000 0.360 529 S C 1.597 176.621 174.600 0.706 0.000 1.023 529 S CA 1.778 60.333 58.200 0.591 0.000 1.114 529 S CB -1.374 62.161 63.200 0.558 0.000 0.907 529 S HN 2.847 nan 8.310 nan 0.000 0.470 530 G N 0.603 109.737 108.800 0.556 0.000 2.603 530 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.245 530 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.245 530 G C 0.337 175.356 174.900 0.198 0.000 1.195 530 G CA -0.004 45.252 45.100 0.261 0.000 0.953 530 G HN 1.588 nan 8.290 nan 0.000 0.566 531 G N 1.095 109.960 108.800 0.109 0.000 3.678 531 G HA2 0.541 4.501 3.960 -0.000 0.000 0.287 531 G HA3 0.541 4.501 3.960 -0.000 0.000 0.287 531 G C 1.099 175.936 174.900 -0.105 0.000 1.280 531 G CA 1.146 46.279 45.100 0.054 0.000 1.118 531 G HN 1.651 nan 8.290 nan 0.000 0.563 532 G N -0.057 108.496 108.800 -0.411 0.000 2.920 532 G HA2 0.031 3.991 3.960 -0.000 0.000 0.208 532 G HA3 0.031 3.991 3.960 -0.000 0.000 0.208 532 G C 1.207 176.010 174.900 -0.163 0.000 1.159 532 G CA -0.201 44.409 45.100 -0.817 0.000 0.784 532 G HN 0.406 nan 8.290 nan 0.000 0.535 533 R N -0.670 119.799 120.500 -0.052 0.000 2.615 533 R HA 0.137 4.477 4.340 -0.000 0.000 0.448 533 R C -0.701 175.569 176.300 -0.051 0.000 1.009 533 R CA -0.669 55.419 56.100 -0.020 0.000 1.111 533 R CB 0.065 30.345 30.300 -0.033 0.000 1.461 533 R HN 0.241 nan 8.270 nan 0.000 0.587 534 F N 3.638 123.478 119.950 -0.184 0.000 2.604 534 F HA -0.021 4.505 4.527 -0.000 0.000 0.337 534 F C -0.058 175.508 175.800 -0.391 0.000 1.294 534 F CA -0.006 57.812 58.000 -0.302 0.000 1.066 534 F CB -0.227 38.563 39.000 -0.350 0.000 1.391 534 F HN 0.186 nan 8.300 nan 0.000 0.652 535 D N 2.073 122.255 120.400 -0.364 0.000 2.583 535 D HA 0.181 4.821 4.640 -0.000 0.000 0.248 535 D C 0.483 176.683 176.300 -0.166 0.000 1.209 535 D CA -0.742 53.155 54.000 -0.171 0.000 0.848 535 D CB 0.520 41.289 40.800 -0.052 0.000 1.431 535 D HN 0.212 nan 8.370 nan 0.000 0.436 536 L N 0.246 121.445 121.223 -0.041 0.000 2.187 536 L HA 0.115 4.455 4.340 -0.000 0.000 0.213 536 L C 1.748 178.551 176.870 -0.112 0.000 1.100 536 L CA 1.380 56.140 54.840 -0.133 0.000 0.765 536 L CB -0.824 41.135 42.059 -0.167 0.000 0.904 536 L HN 0.584 nan 8.230 nan 0.000 0.437 541 Y N 0.959 121.194 120.300 -0.109 0.000 2.353 541 Y HA 0.634 5.184 4.550 -0.000 0.000 0.294 541 Y C 1.134 176.950 175.900 -0.139 0.000 1.135 541 Y CA 0.681 58.676 58.100 -0.174 0.000 1.176 541 Y CB 0.231 38.456 38.460 -0.391 0.000 1.124 541 Y HN 0.107 nan 8.280 nan 0.000 0.537 542 A N 1.795 124.567 122.820 -0.080 0.000 2.277 542 A HA 0.382 4.702 4.320 -0.000 0.000 0.318 542 A C -1.891 175.646 177.584 -0.078 0.000 1.339 542 A CA -1.429 50.587 52.037 -0.036 0.000 0.875 542 A CB 0.244 19.178 19.000 -0.110 0.000 1.158 542 A HN 0.101 nan 8.150 nan 0.000 0.514 543 P HA -0.084 nan 4.420 nan 0.000 0.230 543 P C 0.002 177.272 177.300 -0.051 0.000 1.158 543 P CA 0.935 64.025 63.100 -0.017 0.000 0.769 543 P CB 0.198 31.947 31.700 0.082 0.000 0.807 544 Q N -0.895 118.864 119.800 -0.068 0.000 2.379 544 Q HA 0.732 5.072 4.340 -0.000 0.000 0.278 544 Q C -1.843 174.109 176.000 -0.081 0.000 1.068 544 Q CA -1.209 54.559 55.803 -0.059 0.000 0.816 544 Q CB 2.291 31.050 28.738 0.034 0.000 1.387 544 Q HN -0.120 nan 8.270 nan 0.000 0.413 545 A N 1.821 124.581 122.820 -0.100 0.000 2.380 545 A HA 0.514 4.834 4.320 -0.000 0.000 0.315 545 A C -1.627 176.100 177.584 0.239 0.000 1.101 545 A CA -0.794 51.220 52.037 -0.038 0.000 0.771 545 A CB 1.179 19.943 19.000 -0.392 0.000 1.287 545 A HN 0.843 nan 8.150 nan 0.000 0.436 546 W N 3.473 124.809 121.300 0.059 0.000 2.585 546 W HA 0.160 4.820 4.660 -0.000 0.000 0.337 546 W C -0.066 176.516 176.519 0.105 0.000 1.226 546 W CA 0.159 57.535 57.345 0.053 0.000 1.463 546 W CB 0.830 30.322 29.460 0.053 0.000 1.458 546 W HN 0.836 nan 8.180 nan 0.000 0.458 547 T N 2.910 117.257 114.554 -0.345 0.000 2.708 547 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 547 T C 0.655 175.045 174.700 -0.517 0.000 1.037 547 T CA 1.283 63.170 62.100 -0.354 0.000 1.146 547 T CB -0.015 68.611 68.868 -0.403 0.000 0.865 547 T HN 0.335 nan 8.240 nan 0.000 0.435 548 S N -0.885 114.296 115.700 -0.865 0.000 2.537 548 S HA 0.306 4.776 4.470 -0.000 0.000 0.270 548 S C -0.480 173.655 174.600 -0.774 0.000 1.142 548 S CA -0.738 57.079 58.200 -0.638 0.000 0.870 548 S CB 1.724 64.651 63.200 -0.456 0.000 1.112 548 S HN 0.008 nan 8.310 nan 0.000 0.466 549 D N 1.399 121.590 120.400 -0.349 0.000 2.264 549 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 549 D C 0.173 176.413 176.300 -0.100 0.000 0.966 549 D CA 0.909 54.933 54.000 0.040 0.000 0.864 549 D CB 0.005 40.938 40.800 0.222 0.000 0.933 549 D HN 0.575 nan 8.370 nan 0.000 0.499 550 D N 0.092 120.270 120.400 -0.369 0.000 2.346 550 D HA -0.024 4.616 4.640 -0.000 0.000 0.260 550 D C 0.634 176.816 176.300 -0.197 0.000 1.252 550 D CA 0.319 54.154 54.000 -0.274 0.000 0.895 550 D CB 0.572 41.180 40.800 -0.320 0.000 1.097 550 D HN 0.016 nan 8.370 nan 0.000 0.489 551 T N 0.307 114.818 114.554 -0.071 0.000 3.174 551 T HA 0.123 4.473 4.350 -0.000 0.000 0.269 551 T C 0.413 175.076 174.700 -0.062 0.000 1.017 551 T CA -0.782 61.295 62.100 -0.039 0.000 0.899 551 T CB -0.055 68.887 68.868 0.124 0.000 1.077 551 T HN 0.234 nan 8.240 nan 0.000 0.552 552 D N 0.958 121.301 120.400 -0.096 0.000 2.424 552 D HA 0.514 5.154 4.640 -0.000 0.000 0.244 552 D C 1.506 177.710 176.300 -0.159 0.000 1.134 552 D CA 0.292 54.214 54.000 -0.129 0.000 0.881 552 D CB 1.036 41.748 40.800 -0.147 0.000 1.191 552 D HN 0.162 nan 8.370 nan 0.000 0.445 553 A N 4.058 126.770 122.820 -0.179 0.000 1.865 553 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 553 A C 2.175 179.631 177.584 -0.213 0.000 1.191 553 A CA 2.132 54.058 52.037 -0.185 0.000 0.623 553 A CB -1.263 17.638 19.000 -0.165 0.000 0.826 553 A HN 0.729 nan 8.150 nan 0.000 0.444 554 A N -0.554 122.109 122.820 -0.263 0.000 1.883 554 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 554 A C 1.939 179.419 177.584 -0.173 0.000 1.186 554 A CA 1.789 53.693 52.037 -0.221 0.000 0.624 554 A CB -0.486 18.334 19.000 -0.300 0.000 0.822 554 A HN 0.499 nan 8.150 nan 0.000 0.444 555 E N -0.241 119.865 120.200 -0.155 0.000 2.106 555 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 555 E C 2.192 178.735 176.600 -0.096 0.000 0.984 555 E CA 0.682 57.023 56.400 -0.098 0.000 0.806 555 E CB -0.372 29.277 29.700 -0.086 0.000 0.750 555 E HN 0.391 nan 8.360 nan 0.000 0.458 556 R N 0.502 120.926 120.500 -0.126 0.000 2.081 556 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 556 R C 2.359 178.620 176.300 -0.064 0.000 1.131 556 R CA 0.353 56.386 56.100 -0.113 0.000 0.960 556 R CB -0.959 29.261 30.300 -0.133 0.000 0.856 556 R HN 0.165 nan 8.270 nan 0.000 0.436 557 L N 0.822 121.972 121.223 -0.120 0.000 2.011 557 L HA -0.251 4.089 4.340 -0.000 0.000 0.225 557 L C 2.352 179.209 176.870 -0.021 0.000 1.084 557 L CA 1.716 56.486 54.840 -0.117 0.000 0.791 557 L CB -1.270 40.618 42.059 -0.285 0.000 0.898 557 L HN 0.095 nan 8.230 nan 0.000 0.440 558 L N -1.214 119.922 121.223 -0.145 0.000 2.017 558 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 558 L C 2.446 179.388 176.870 0.120 0.000 1.073 558 L CA 1.650 56.371 54.840 -0.199 0.000 0.745 558 L CB -0.692 41.078 42.059 -0.480 0.000 0.894 558 L HN 0.200 nan 8.230 nan 0.000 0.432 559 I N -1.269 119.349 120.570 0.080 0.000 2.226 559 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 559 I C 2.529 178.695 176.117 0.082 0.000 1.100 559 I CA 1.220 62.583 61.300 0.105 0.000 1.374 559 I CB -0.335 37.655 38.000 -0.015 0.000 1.057 559 I HN 0.376 nan 8.210 nan 0.000 0.413 560 Q N -0.096 119.751 119.800 0.078 0.000 2.079 560 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 560 Q C 2.227 178.342 176.000 0.192 0.000 0.974 560 Q CA 1.553 57.390 55.803 0.057 0.000 0.840 560 Q CB -0.219 28.557 28.738 0.063 0.000 0.898 560 Q HN 0.394 nan 8.270 nan 0.000 0.430 561 F N 0.981 121.105 119.950 0.290 0.000 2.065 561 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 561 F C 2.163 178.250 175.800 0.479 0.000 1.112 561 F CA 1.871 60.140 58.000 0.449 0.000 1.212 561 F CB -0.541 38.745 39.000 0.477 0.000 0.975 561 F HN 0.091 nan 8.300 nan 0.000 0.476 562 G N -1.456 107.798 108.800 0.757 0.000 2.421 562 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 562 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 562 G C 1.616 176.637 174.900 0.201 0.000 1.171 562 G CA 1.322 46.809 45.100 0.646 0.000 0.775 562 G HN 0.365 nan 8.290 nan 0.000 0.543 563 T N 1.706 116.284 114.554 0.039 0.000 2.759 563 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 563 T C 2.836 177.470 174.700 -0.109 0.000 1.042 563 T CA 1.963 63.984 62.100 -0.130 0.000 1.140 563 T CB -0.427 68.228 68.868 -0.354 0.000 0.864 563 T HN 0.551 nan 8.240 nan 0.000 0.455 564 S N 0.702 116.281 115.700 -0.202 0.000 2.419 564 S HA -0.167 4.303 4.470 -0.000 0.000 0.235 564 S C 1.742 176.127 174.600 -0.359 0.000 1.019 564 S CA 0.866 58.832 58.200 -0.389 0.000 0.982 564 S CB -0.961 61.853 63.200 -0.643 0.000 0.789 564 S HN 0.585 nan 8.310 nan 0.000 0.490 565 Y N 2.141 122.288 120.300 -0.254 0.000 2.256 565 Y HA 0.053 4.603 4.550 0.000 0.000 0.288 565 Y C 2.727 178.261 175.900 -0.610 0.000 1.155 565 Y CA 1.238 59.214 58.100 -0.208 0.000 1.203 565 Y CB -0.573 37.908 38.460 0.036 0.000 0.980 565 Y HN 0.505 nan 8.280 nan 0.000 0.530 566 G N -3.033 105.325 108.800 -0.736 0.000 2.781 566 G HA2 0.119 4.079 3.960 -0.000 0.000 0.208 566 G HA3 0.119 4.079 3.960 -0.000 0.000 0.208 566 G C -0.672 173.471 174.900 -1.263 0.000 1.099 566 G CA 0.040 44.211 45.100 -1.548 0.000 0.776 566 G HN 0.237 nan 8.290 nan 0.000 0.532 567 Y N 0.271 120.402 120.300 -0.280 0.000 2.396 567 Y HA 0.438 4.988 4.550 -0.000 0.000 0.332 567 Y C -2.517 173.272 175.900 -0.185 0.000 1.034 567 Y CA -2.523 55.500 58.100 -0.128 0.000 1.057 567 Y CB 2.018 40.524 38.460 0.076 0.000 1.220 567 Y HN -0.126 nan 8.280 nan 0.000 0.440 568 P HA -0.007 nan 4.420 nan 0.000 0.272 568 P C 0.519 177.729 177.300 -0.150 0.000 1.223 568 P CA -0.371 62.649 63.100 -0.132 0.000 0.784 568 P CB 0.921 32.608 31.700 -0.021 0.000 0.923 569 Q N 1.321 120.953 119.800 -0.279 0.000 2.297 569 Q HA -0.112 4.228 4.340 -0.000 0.000 0.208 569 Q C 0.725 176.663 176.000 -0.103 0.000 0.981 569 Q CA 1.115 56.784 55.803 -0.224 0.000 0.876 569 Q CB -1.164 27.435 28.738 -0.231 0.000 0.921 569 Q HN 0.465 nan 8.270 nan 0.000 0.446 574 A N 1.621 124.563 122.820 0.203 0.000 2.456 574 A HA 0.806 5.126 4.320 -0.000 0.000 0.288 574 A C -0.930 176.803 177.584 0.248 0.000 1.042 574 A CA -0.630 51.462 52.037 0.093 0.000 0.738 574 A CB 0.718 19.707 19.000 -0.018 0.000 1.266 574 A HN 0.863 nan 8.150 nan 0.000 0.407 575 H N 0.820 120.031 119.070 0.236 0.000 2.472 575 H HA 0.489 5.045 4.556 -0.000 0.000 0.338 575 H C -0.365 174.885 175.328 -0.130 0.000 1.133 575 H CA -1.223 54.826 56.048 0.002 0.000 1.216 575 H CB 2.130 31.935 29.762 0.071 0.000 1.497 575 H HN 0.395 nan 8.280 nan 0.000 0.500 576 V N 3.596 123.353 119.914 -0.261 0.000 2.479 576 V HA 0.016 4.136 4.120 -0.000 0.000 0.281 576 V C 0.492 176.554 176.094 -0.055 0.000 1.031 576 V CA 0.137 62.298 62.300 -0.232 0.000 1.038 576 V CB 0.363 31.941 31.823 -0.409 0.000 0.981 576 V HN 0.864 nan 8.190 nan 0.000 0.478 577 S N 4.872 120.571 115.700 -0.003 0.000 2.766 577 S HA 0.906 5.376 4.470 -0.000 0.000 0.307 577 S C -0.040 174.571 174.600 0.018 0.000 1.121 577 S CA -0.304 57.915 58.200 0.032 0.000 0.980 577 S CB 1.908 65.143 63.200 0.059 0.000 1.159 577 S HN 1.055 nan 8.310 nan 0.000 0.546 578 A N -0.054 122.776 122.820 0.015 0.000 2.272 578 A HA 0.740 5.060 4.320 -0.000 0.000 0.275 578 A C -0.418 177.170 177.584 0.006 0.000 1.096 578 A CA -0.713 51.331 52.037 0.012 0.000 0.822 578 A CB 0.403 19.407 19.000 0.006 0.000 1.088 578 A HN 1.078 nan 8.150 nan 0.000 0.495 579 V N 1.734 121.652 119.914 0.007 0.000 2.841 579 V HA 0.502 4.622 4.120 -0.000 0.000 0.310 579 V C -2.240 173.860 176.094 0.010 0.000 1.090 579 V CA -1.342 60.958 62.300 0.001 0.000 0.930 579 V CB 2.208 34.028 31.823 -0.005 0.000 1.014 579 V HN 0.983 nan 8.190 nan 0.000 0.425 580 P HA 0.085 nan 4.420 nan 0.000 0.271 580 P C -0.110 177.192 177.300 0.005 0.000 1.233 580 P CA -0.073 63.029 63.100 0.004 0.000 0.764 580 P CB 0.231 31.938 31.700 0.012 0.000 0.825 581 N N 3.198 121.891 118.700 -0.011 0.000 2.138 581 N HA -0.141 4.599 4.740 -0.000 0.000 0.271 581 N C 0.259 175.785 175.510 0.027 0.000 1.272 581 N CA 0.346 53.396 53.050 -0.001 0.000 0.819 581 N CB 0.502 38.969 38.487 -0.032 0.000 1.052 581 N HN 0.261 nan 8.380 nan 0.000 0.479 582 D N 2.163 122.597 120.400 0.056 0.000 2.269 582 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 582 D C 0.464 176.828 176.300 0.106 0.000 0.963 582 D CA 1.030 55.079 54.000 0.082 0.000 0.864 582 D CB 0.182 41.055 40.800 0.121 0.000 0.936 582 D HN 0.610 nan 8.370 nan 0.000 0.505 586 R N 0.797 121.268 120.500 -0.048 0.000 2.679 586 R HA 0.502 4.842 4.340 -0.000 0.000 0.268 586 R C -0.445 175.802 176.300 -0.088 0.000 1.044 586 R CA 0.189 56.230 56.100 -0.099 0.000 1.105 586 R CB 0.233 30.386 30.300 -0.245 0.000 0.989 586 R HN 0.132 nan 8.270 nan 0.000 0.447 587 I N 2.316 122.858 120.570 -0.047 0.000 2.530 587 I HA 0.346 4.516 4.170 -0.000 0.000 0.297 587 I C -0.316 175.800 176.117 -0.002 0.000 1.011 587 I CA -0.669 60.628 61.300 -0.005 0.000 1.107 587 I CB 2.415 40.448 38.000 0.056 0.000 1.285 587 I HN 0.648 nan 8.210 nan 0.000 0.436 588 T N 2.610 117.161 114.554 -0.006 0.000 2.923 588 T HA 0.256 4.606 4.350 -0.000 0.000 0.311 588 T C -0.413 174.310 174.700 0.038 0.000 1.183 588 T CA -0.644 61.468 62.100 0.020 0.000 1.020 588 T CB 1.792 70.586 68.868 -0.123 0.000 1.165 588 T HN 0.744 nan 8.240 nan 0.000 0.482 589 S N 1.752 117.488 115.700 0.059 0.000 2.573 589 S HA 0.140 4.610 4.470 -0.000 0.000 0.277 589 S C 1.379 175.975 174.600 -0.006 0.000 1.346 589 S CA -0.575 57.636 58.200 0.019 0.000 1.034 589 S CB 0.298 63.492 63.200 -0.010 0.000 0.879 589 S HN 0.603 nan 8.310 nan 0.000 0.528 590 L N 1.525 122.747 121.223 -0.002 0.000 2.201 590 L HA 0.016 4.356 4.340 -0.000 0.000 0.212 590 L C 2.398 179.258 176.870 -0.017 0.000 1.105 590 L CA 1.834 56.675 54.840 0.002 0.000 0.775 590 L CB -0.941 41.134 42.059 0.026 0.000 0.913 590 L HN 0.962 nan 8.230 nan 0.000 0.440 591 K N -1.318 119.062 120.400 -0.034 0.000 2.057 591 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 591 K C 1.742 178.296 176.600 -0.077 0.000 1.049 591 K CA 1.893 58.146 56.287 -0.057 0.000 0.931 591 K CB -0.120 32.320 32.500 -0.100 0.000 0.714 591 K HN 0.405 nan 8.250 nan 0.000 0.440 592 T N 0.955 115.470 114.554 -0.065 0.000 2.770 592 T HA -0.030 4.320 4.350 -0.000 0.000 0.263 592 T C 1.789 176.456 174.700 -0.054 0.000 1.039 592 T CA 0.969 63.056 62.100 -0.022 0.000 1.142 592 T CB -0.135 68.745 68.868 0.019 0.000 0.868 592 T HN 0.325 nan 8.240 nan 0.000 0.435 593 R N 0.824 121.274 120.500 -0.082 0.000 2.113 593 R HA -0.106 4.234 4.340 -0.000 0.000 0.244 593 R C 2.821 178.998 176.300 -0.205 0.000 1.142 593 R CA 1.567 57.594 56.100 -0.120 0.000 0.953 593 R CB -0.995 29.250 30.300 -0.091 0.000 0.860 593 R HN 0.448 nan 8.270 nan 0.000 0.438 594 G N 0.906 109.564 108.800 -0.237 0.000 2.446 594 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 594 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 594 G C 1.567 175.878 174.900 -0.982 0.000 1.168 594 G CA 0.849 45.658 45.100 -0.485 0.000 0.771 594 G HN 0.445 nan 8.290 nan 0.000 0.551 595 A N -0.167 122.344 122.820 -0.515 0.000 2.014 595 A HA 0.239 4.559 4.320 -0.000 0.000 0.218 595 A C 2.487 180.227 177.584 0.260 0.000 1.163 595 A CA 1.460 53.377 52.037 -0.200 0.000 0.652 595 A CB -0.235 18.865 19.000 0.167 0.000 0.808 595 A HN 0.251 nan 8.150 nan 0.000 0.449 596 V N -0.489 119.491 119.914 0.111 0.000 2.548 596 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 596 V C 2.796 178.980 176.094 0.150 0.000 1.055 596 V CA 1.614 63.996 62.300 0.137 0.000 1.065 596 V CB -0.786 30.961 31.823 -0.127 0.000 0.681 596 V HN 0.561 nan 8.190 nan 0.000 0.462 597 A N -0.703 122.057 122.820 -0.101 0.000 2.123 597 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 597 A C 1.855 179.387 177.584 -0.085 0.000 1.152 597 A CA 0.618 52.578 52.037 -0.129 0.000 0.728 597 A CB -0.481 18.370 19.000 -0.247 0.000 0.814 597 A HN 0.425 nan 8.150 nan 0.000 0.464 598 F N -0.588 119.312 119.950 -0.083 0.000 2.216 598 F HA -0.032 4.495 4.527 -0.000 0.000 0.300 598 F C 0.727 176.297 175.800 -0.383 0.000 1.085 598 F CA 0.175 57.914 58.000 -0.436 0.000 1.326 598 F CB -1.036 37.372 39.000 -0.987 0.000 1.027 598 F HN 0.208 nan 8.300 nan 0.000 0.497 599 F N 0.602 120.631 119.950 0.131 0.000 2.705 599 F HA 0.476 5.003 4.527 -0.000 0.000 0.355 599 F C 0.987 176.763 175.800 -0.041 0.000 1.172 599 F CA 0.186 58.231 58.000 0.075 0.000 1.332 599 F CB -0.543 38.331 39.000 -0.209 0.000 1.621 599 F HN 0.012 nan 8.300 nan 0.000 0.605 600 G N -0.496 108.368 108.800 0.107 0.000 2.441 600 G HA2 0.087 4.047 3.960 -0.000 0.000 0.225 600 G HA3 0.087 4.047 3.960 -0.000 0.000 0.225 600 G C -1.823 173.133 174.900 0.093 0.000 1.200 600 G CA -0.838 44.288 45.100 0.044 0.000 0.947 600 G HN -0.079 nan 8.290 nan 0.000 0.484 601 D N 1.484 121.930 120.400 0.077 0.000 2.473 601 D HA 0.432 5.072 4.640 -0.000 0.000 0.226 601 D C 0.078 176.398 176.300 0.032 0.000 1.089 601 D CA -0.267 53.796 54.000 0.105 0.000 0.883 601 D CB 1.802 42.669 40.800 0.111 0.000 1.029 601 D HN 0.328 nan 8.370 nan 0.000 0.517 602 L N 2.010 123.109 121.223 -0.206 0.000 2.514 602 L HA 0.403 4.743 4.340 -0.000 0.000 0.280 602 L C 0.536 177.285 176.870 -0.203 0.000 1.223 602 L CA 0.811 55.405 54.840 -0.410 0.000 0.864 602 L CB 0.493 41.891 42.059 -1.102 0.000 1.118 602 L HN 0.444 nan 8.230 nan 0.000 0.494 603 G N 2.986 111.651 108.800 -0.224 0.000 2.646 603 G HA2 0.475 4.435 3.960 -0.000 0.000 0.291 603 G HA3 0.475 4.435 3.960 -0.000 0.000 0.291 603 G C -2.198 172.394 174.900 -0.515 0.000 1.445 603 G CA -0.505 44.424 45.100 -0.285 0.000 0.814 603 G HN 0.434 nan 8.290 nan 0.000 0.495 604 Y N -0.448 119.628 120.300 -0.373 0.000 2.425 604 Y HA 0.613 5.163 4.550 -0.000 0.000 0.344 604 Y C 0.461 176.191 175.900 -0.284 0.000 0.969 604 Y CA -0.620 57.347 58.100 -0.223 0.000 1.052 604 Y CB 3.107 41.479 38.460 -0.146 0.000 1.215 604 Y HN 0.571 nan 8.280 nan 0.000 0.451 605 E N 4.581 124.767 120.200 -0.023 0.000 4.017 605 E HA 0.296 4.646 4.350 -0.000 0.000 0.205 605 E C -1.634 174.946 176.600 -0.034 0.000 1.054 605 E CA -0.065 56.306 56.400 -0.048 0.000 1.398 605 E CB 0.421 30.168 29.700 0.078 0.000 1.164 605 E HN 0.608 nan 8.360 nan 0.000 0.445 606 L N -2.026 119.193 121.223 -0.007 0.000 2.376 606 L HA 0.702 5.042 4.340 -0.000 0.000 0.258 606 L C -0.590 176.268 176.870 -0.019 0.000 1.013 606 L CA -1.117 53.715 54.840 -0.014 0.000 0.822 606 L CB 1.832 43.910 42.059 0.031 0.000 1.388 606 L HN -0.167 nan 8.230 nan 0.000 0.413 607 D N 2.429 122.813 120.400 -0.025 0.000 2.455 607 D HA 0.168 4.808 4.640 -0.000 0.000 0.234 607 D C 1.388 177.689 176.300 0.001 0.000 1.224 607 D CA -0.155 53.838 54.000 -0.012 0.000 0.999 607 D CB 0.372 41.166 40.800 -0.010 0.000 1.072 607 D HN 0.631 nan 8.370 nan 0.000 0.514 608 I N 0.661 121.232 120.570 0.001 0.000 3.001 608 I HA -0.116 4.054 4.170 -0.000 0.000 0.268 608 I C 1.805 177.921 176.117 -0.001 0.000 1.267 608 I CA 0.840 62.136 61.300 -0.007 0.000 1.472 608 I CB -0.695 37.285 38.000 -0.034 0.000 1.089 608 I HN 0.205 nan 8.210 nan 0.000 0.468 609 T N -0.987 113.573 114.554 0.009 0.000 3.007 609 T HA -0.001 4.349 4.350 -0.000 0.000 0.270 609 T C 0.991 175.697 174.700 0.011 0.000 1.107 609 T CA 0.647 62.755 62.100 0.012 0.000 1.118 609 T CB -0.137 68.744 68.868 0.021 0.000 0.889 609 T HN 0.440 nan 8.240 nan 0.000 0.506 613 P HA -0.240 nan 4.420 nan 0.000 0.217 613 P C 1.834 179.138 177.300 0.007 0.000 1.162 613 P CA 3.265 66.368 63.100 0.005 0.000 0.901 613 P CB -0.095 31.609 31.700 0.006 0.000 0.793 614 T N -2.935 111.624 114.554 0.009 0.000 2.803 614 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 614 T C 1.652 176.359 174.700 0.013 0.000 1.052 614 T CA 1.373 63.480 62.100 0.011 0.000 1.136 614 T CB -0.884 67.991 68.868 0.012 0.000 0.864 614 T HN 0.244 nan 8.240 nan 0.000 0.467 615 E N 0.613 120.821 120.200 0.012 0.000 2.047 615 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 615 E C 2.150 178.755 176.600 0.008 0.000 0.987 615 E CA 0.762 57.171 56.400 0.014 0.000 0.799 615 E CB -0.251 29.458 29.700 0.015 0.000 0.752 615 E HN 0.216 nan 8.360 nan 0.000 0.449 616 L N 1.596 122.818 121.223 -0.001 0.000 2.021 616 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 616 L C 2.079 178.943 176.870 -0.011 0.000 1.074 616 L CA 2.040 56.871 54.840 -0.016 0.000 0.760 616 L CB -0.837 41.213 42.059 -0.015 0.000 0.889 616 L HN 0.143 nan 8.230 nan 0.000 0.433 617 D N -1.729 118.673 120.400 0.003 0.000 2.144 617 D HA -0.244 4.396 4.640 -0.000 0.000 0.199 617 D C 2.220 178.534 176.300 0.023 0.000 0.984 617 D CA 1.094 55.101 54.000 0.011 0.000 0.834 617 D CB 0.056 40.865 40.800 0.014 0.000 0.955 617 D HN 0.412 nan 8.370 nan 0.000 0.465 618 Q N -0.436 119.380 119.800 0.027 0.000 2.050 618 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 618 Q C 2.116 178.156 176.000 0.067 0.000 0.980 618 Q CA 1.492 57.322 55.803 0.045 0.000 0.840 618 Q CB 0.061 28.824 28.738 0.041 0.000 0.898 618 Q HN 0.227 nan 8.270 nan 0.000 0.424 619 V N 1.032 120.968 119.914 0.037 0.000 2.295 619 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 619 V C 2.321 178.412 176.094 -0.004 0.000 1.049 619 V CA 2.139 64.444 62.300 0.009 0.000 1.024 619 V CB -0.638 31.113 31.823 -0.119 0.000 0.648 619 V HN 0.390 nan 8.190 nan 0.000 0.447 620 K N 0.047 120.437 120.400 -0.017 0.000 2.127 620 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 620 K C 2.151 178.790 176.600 0.065 0.000 1.047 620 K CA 1.752 58.041 56.287 0.003 0.000 0.927 620 K CB -0.084 32.419 32.500 0.003 0.000 0.716 620 K HN 0.442 nan 8.250 nan 0.000 0.450 621 K N -0.106 120.348 120.400 0.090 0.000 2.137 621 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 621 K C 2.241 178.973 176.600 0.220 0.000 1.052 621 K CA 0.994 57.359 56.287 0.131 0.000 0.961 621 K CB 0.026 32.584 32.500 0.097 0.000 0.741 621 K HN 0.250 nan 8.250 nan 0.000 0.452 622 Q N 0.631 120.587 119.800 0.260 0.000 2.112 622 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 622 Q C 2.174 178.430 176.000 0.428 0.000 0.987 622 Q CA 1.568 57.638 55.803 0.445 0.000 0.858 622 Q CB -0.238 28.813 28.738 0.521 0.000 0.905 622 Q HN 0.102 nan 8.270 nan 0.000 0.420 623 V N 0.808 120.900 119.914 0.297 0.000 2.358 623 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 623 V C 2.264 178.490 176.094 0.219 0.000 1.047 623 V CA 1.747 64.197 62.300 0.251 0.000 1.035 623 V CB -0.948 30.944 31.823 0.115 0.000 0.658 623 V HN 0.390 nan 8.190 nan 0.000 0.452 624 A N -0.443 122.485 122.820 0.181 0.000 1.898 624 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 624 A C 2.105 179.794 177.584 0.175 0.000 1.181 624 A CA 1.875 53.997 52.037 0.143 0.000 0.620 624 A CB -0.670 18.404 19.000 0.122 0.000 0.819 624 A HN 0.509 nan 8.150 nan 0.000 0.442 625 F N -0.837 119.172 119.950 0.098 0.000 2.102 625 F HA -0.182 4.344 4.527 -0.000 0.000 0.298 625 F C 2.136 178.003 175.800 0.111 0.000 1.105 625 F CA 1.843 59.910 58.000 0.111 0.000 1.239 625 F CB -0.691 38.355 39.000 0.076 0.000 0.991 625 F HN 0.366 nan 8.300 nan 0.000 0.474 626 Y N 1.280 121.494 120.300 -0.144 0.000 2.181 626 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 626 Y C 2.358 178.202 175.900 -0.093 0.000 1.146 626 Y CA 2.139 60.078 58.100 -0.269 0.000 1.164 626 Y CB -0.487 37.880 38.460 -0.156 0.000 0.982 626 Y HN 0.027 nan 8.280 nan 0.000 0.515 627 K N -0.928 119.477 120.400 0.008 0.000 2.057 627 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 627 K C 2.404 178.893 176.600 -0.185 0.000 1.049 627 K CA 1.362 57.611 56.287 -0.064 0.000 0.931 627 K CB -0.836 31.680 32.500 0.027 0.000 0.714 627 K HN 0.421 nan 8.250 nan 0.000 0.440 628 C N 0.308 119.472 119.300 -0.227 0.000 2.403 628 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 628 C C 1.429 176.044 174.990 -0.625 0.000 1.248 628 C CA 0.759 59.524 59.018 -0.422 0.000 1.762 628 C CB -0.624 26.832 27.740 -0.473 0.000 2.014 628 C HN 0.412 nan 8.230 nan 0.000 0.486 629 Y N -0.434 119.629 120.300 -0.395 0.000 2.713 629 Y HA 0.348 4.898 4.550 -0.000 0.000 0.269 629 Y C 1.841 177.491 175.900 -0.418 0.000 1.106 629 Y CA -0.235 57.591 58.100 -0.455 0.000 1.174 629 Y CB -0.586 37.432 38.460 -0.736 0.000 1.186 629 Y HN 0.196 nan 8.280 nan 0.000 0.555 630 R N 0.295 120.618 120.500 -0.296 0.000 2.081 630 R HA -0.216 4.123 4.340 -0.000 0.000 0.235 630 R C 1.954 178.147 176.300 -0.179 0.000 1.131 630 R CA 1.706 57.570 56.100 -0.392 0.000 0.960 630 R CB 0.192 30.294 30.300 -0.331 0.000 0.856 630 R HN 0.356 nan 8.270 nan 0.000 0.436 631 Q N 0.586 120.354 119.800 -0.054 0.000 2.124 631 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 631 Q C 1.891 177.936 176.000 0.076 0.000 0.977 631 Q CA 1.346 57.216 55.803 0.111 0.000 0.850 631 Q CB -0.288 28.510 28.738 0.100 0.000 0.901 631 Q HN 0.282 nan 8.270 nan 0.000 0.429 632 L N -0.779 120.416 121.223 -0.046 0.000 2.005 632 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 632 L C 1.789 178.586 176.870 -0.122 0.000 1.072 632 L CA 1.733 56.514 54.840 -0.098 0.000 0.744 632 L CB -0.845 41.084 42.059 -0.216 0.000 0.895 632 L HN 0.230 nan 8.230 nan 0.000 0.433 633 F N 0.065 119.902 119.950 -0.189 0.000 2.102 633 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 633 F C 2.677 178.361 175.800 -0.193 0.000 1.105 633 F CA 1.728 59.580 58.000 -0.247 0.000 1.239 633 F CB -0.787 37.997 39.000 -0.361 0.000 0.991 633 F HN 0.219 nan 8.300 nan 0.000 0.474 634 Q N -1.731 117.994 119.800 -0.125 0.000 2.137 634 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 634 Q C 1.430 177.082 176.000 -0.579 0.000 0.960 634 Q CA 1.385 56.910 55.803 -0.463 0.000 0.847 634 Q CB -0.124 28.106 28.738 -0.847 0.000 0.915 634 Q HN 0.386 nan 8.270 nan 0.000 0.448 635 F N -0.893 119.092 119.950 0.059 0.000 2.728 635 F HA 0.300 4.827 4.527 -0.000 0.000 0.314 635 F C 1.189 177.020 175.800 0.052 0.000 1.094 635 F CA -0.459 57.565 58.000 0.040 0.000 1.217 635 F CB 0.029 39.046 39.000 0.028 0.000 1.056 635 F HN -0.123 nan 8.300 nan 0.000 0.577 636 G N 1.403 110.317 108.800 0.190 0.000 2.559 636 G HA2 0.035 3.995 3.960 -0.000 0.000 0.235 636 G HA3 0.035 3.995 3.960 -0.000 0.000 0.235 636 G C -0.105 174.902 174.900 0.178 0.000 1.266 636 G CA -0.459 44.738 45.100 0.162 0.000 0.847 636 G HN 0.138 nan 8.290 nan 0.000 0.583 637 K N 0.507 121.001 120.400 0.156 0.000 2.412 637 K HA 0.151 4.471 4.320 -0.000 0.000 0.281 637 K C -0.948 175.736 176.600 0.139 0.000 1.027 637 K CA -0.276 56.075 56.287 0.106 0.000 0.989 637 K CB 0.231 32.773 32.500 0.071 0.000 0.935 637 K HN 0.279 nan 8.250 nan 0.000 0.475 638 F N 5.270 125.143 119.950 -0.129 0.000 2.411 638 F HA 0.291 4.818 4.527 -0.000 0.000 0.352 638 F C -1.341 174.316 175.800 -0.239 0.000 1.123 638 F CA -0.513 57.431 58.000 -0.093 0.000 1.044 638 F CB 0.617 39.538 39.000 -0.133 0.000 1.135 638 F HN 0.449 nan 8.300 nan 0.000 0.461 639 Y N 5.159 125.223 120.300 -0.393 0.000 2.335 639 Y HA 0.505 5.055 4.550 -0.000 0.000 0.338 639 Y C 0.110 175.752 175.900 -0.431 0.000 0.977 639 Y CA -0.844 57.090 58.100 -0.277 0.000 1.114 639 Y CB 1.242 39.628 38.460 -0.124 0.000 1.182 639 Y HN 0.413 nan 8.280 nan 0.000 0.463 640 R N 3.296 123.726 120.500 -0.117 0.000 2.441 640 R HA 0.445 4.785 4.340 -0.000 0.000 0.284 640 R C -0.082 176.329 176.300 0.186 0.000 1.070 640 R CA 0.082 56.195 56.100 0.021 0.000 1.047 640 R CB 0.938 31.118 30.300 -0.200 0.000 1.016 640 R HN 0.775 nan 8.270 nan 0.000 0.477 641 I N -0.137 120.605 120.570 0.287 0.000 4.987 641 I HA 0.062 4.232 4.170 -0.000 0.000 0.240 641 I C -0.070 176.181 176.117 0.224 0.000 0.946 641 I CA -0.343 61.067 61.300 0.183 0.000 2.026 641 I CB 0.253 38.303 38.000 0.082 0.000 1.509 641 I HN 0.454 nan 8.210 nan 0.000 0.472 642 D N 2.305 122.815 120.400 0.183 0.000 2.308 642 D HA 0.153 4.793 4.640 -0.000 0.000 0.251 642 D C -0.508 175.791 176.300 -0.002 0.000 1.127 642 D CA 0.361 54.416 54.000 0.092 0.000 0.876 642 D CB 1.656 42.480 40.800 0.040 0.000 1.176 642 D HN -0.006 nan 8.370 nan 0.000 0.446 643 S N 2.315 117.969 115.700 -0.077 0.000 2.449 643 S HA 0.332 4.802 4.470 -0.000 0.000 0.310 643 S C -1.835 172.485 174.600 -0.467 0.000 1.096 643 S CA -1.684 56.275 58.200 -0.401 0.000 1.095 643 S CB 1.585 64.855 63.200 0.116 0.000 1.007 643 S HN 0.183 nan 8.310 nan 0.000 0.474 644 P HA 0.066 nan 4.420 nan 0.000 0.242 644 P C 0.249 177.142 177.300 -0.679 0.000 1.197 644 P CA 0.558 63.227 63.100 -0.719 0.000 0.765 644 P CB -0.135 30.990 31.700 -0.960 0.000 0.936 645 F N -1.047 118.784 119.950 -0.199 0.000 2.678 645 F HA 0.170 4.697 4.527 -0.000 0.000 0.305 645 F C 1.139 176.894 175.800 -0.076 0.000 1.090 645 F CA -0.171 57.759 58.000 -0.117 0.000 1.272 645 F CB 0.147 39.108 39.000 -0.065 0.000 1.060 645 F HN -0.323 nan 8.300 nan 0.000 0.576 646 V N -0.328 119.619 119.914 0.054 0.000 2.815 646 V HA 0.726 4.846 4.120 -0.000 0.000 0.314 646 V C 0.518 176.609 176.094 -0.006 0.000 1.064 646 V CA -0.289 62.036 62.300 0.043 0.000 0.952 646 V CB 1.053 32.918 31.823 0.070 0.000 1.020 646 V HN 0.290 nan 8.190 nan 0.000 0.439 647 E N 2.295 122.494 120.200 -0.002 0.000 3.365 647 E HA -0.347 4.003 4.350 -0.000 0.000 0.286 647 E C 0.755 177.342 176.600 -0.023 0.000 1.466 647 E CA 1.706 58.098 56.400 -0.013 0.000 1.995 647 E CB -1.728 27.962 29.700 -0.017 0.000 1.981 647 E HN 1.314 nan 8.360 nan 0.000 0.495 648 D N -0.206 120.177 120.400 -0.029 0.000 2.355 648 D HA 0.382 5.022 4.640 -0.000 0.000 0.218 648 D C 1.604 177.874 176.300 -0.050 0.000 1.004 648 D CA 1.851 55.834 54.000 -0.028 0.000 0.880 648 D CB -0.055 40.734 40.800 -0.019 0.000 0.911 648 D HN 2.133 nan 8.370 nan 0.000 0.528 649 G N 0.787 109.536 108.800 -0.085 0.000 2.179 649 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.257 649 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.257 649 G C 0.812 175.628 174.900 -0.139 0.000 1.010 649 G CA 0.473 45.478 45.100 -0.158 0.000 0.736 649 G HN 0.519 nan 8.290 nan 0.000 0.513 650 N N -1.064 117.589 118.700 -0.078 0.000 2.354 650 N HA 0.064 4.804 4.740 -0.000 0.000 0.179 650 N C 0.369 175.837 175.510 -0.071 0.000 1.021 650 N CA 1.166 54.187 53.050 -0.049 0.000 0.887 650 N CB 0.134 38.630 38.487 0.014 0.000 0.974 650 N HN 0.290 nan 8.380 nan 0.000 0.437 651 V N 1.192 121.053 119.914 -0.088 0.000 2.448 651 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 651 V C -0.376 175.628 176.094 -0.151 0.000 1.025 651 V CA -0.564 61.684 62.300 -0.085 0.000 0.859 651 V CB 1.556 33.353 31.823 -0.043 0.000 0.988 651 V HN -0.053 nan 8.190 nan 0.000 0.431 652 T N 3.826 118.281 114.554 -0.166 0.000 2.807 652 T HA 0.696 5.046 4.350 -0.000 0.000 0.279 652 T C -0.273 174.314 174.700 -0.189 0.000 0.993 652 T CA -0.471 61.467 62.100 -0.270 0.000 0.970 652 T CB 1.508 70.146 68.868 -0.384 0.000 0.950 652 T HN 0.917 nan 8.240 nan 0.000 0.441 653 S N 2.946 118.551 115.700 -0.159 0.000 2.541 653 S HA 0.862 5.331 4.470 -0.000 0.000 0.271 653 S C -1.409 173.181 174.600 -0.016 0.000 1.133 653 S CA -1.054 57.042 58.200 -0.173 0.000 0.876 653 S CB 1.721 64.970 63.200 0.082 0.000 1.105 653 S HN 0.906 nan 8.310 nan 0.000 0.470 654 W N 0.255 121.617 121.300 0.102 0.000 2.940 654 W HA 0.696 5.356 4.660 -0.000 0.000 0.394 654 W C -1.480 174.988 176.519 -0.084 0.000 1.155 654 W CA -0.979 56.318 57.345 -0.080 0.000 1.165 654 W CB 1.371 30.623 29.460 -0.347 0.000 1.492 654 W HN 0.852 nan 8.180 nan 0.000 0.593 655 Q N 1.688 121.605 119.800 0.195 0.000 2.309 655 Q HA 0.455 4.795 4.340 -0.000 0.000 0.273 655 Q C -1.425 174.703 176.000 0.213 0.000 1.040 655 Q CA -0.597 55.375 55.803 0.282 0.000 0.834 655 Q CB 3.382 32.253 28.738 0.221 0.000 1.345 655 Q HN 0.476 nan 8.270 nan 0.000 0.414 656 V N 0.348 120.486 119.914 0.373 0.000 2.513 656 V HA 0.855 4.975 4.120 -0.000 0.000 0.299 656 V C -0.591 175.622 176.094 0.199 0.000 1.035 656 V CA -0.574 61.898 62.300 0.288 0.000 0.889 656 V CB 1.539 33.533 31.823 0.285 0.000 0.988 656 V HN 0.473 nan 8.190 nan 0.000 0.440 657 V N 3.769 123.810 119.914 0.211 0.000 2.656 657 V HA 0.604 4.724 4.120 -0.000 0.000 0.307 657 V C 0.624 176.800 176.094 0.137 0.000 1.051 657 V CA -0.039 62.361 62.300 0.167 0.000 0.893 657 V CB 1.908 33.863 31.823 0.220 0.000 0.999 657 V HN 1.262 nan 8.190 nan 0.000 0.426 658 S N 1.982 117.743 115.700 0.100 0.000 2.606 658 S HA 0.084 4.554 4.470 -0.000 0.000 0.257 658 S C 0.779 175.435 174.600 0.094 0.000 1.327 658 S CA -0.130 58.124 58.200 0.089 0.000 0.984 658 S CB 0.566 63.808 63.200 0.071 0.000 0.941 658 S HN 0.710 nan 8.310 nan 0.000 0.576 659 D N 1.445 121.892 120.400 0.077 0.000 2.092 659 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 659 D C 1.357 177.694 176.300 0.062 0.000 0.994 659 D CA 1.875 55.914 54.000 0.066 0.000 0.828 659 D CB -0.514 40.314 40.800 0.047 0.000 0.963 659 D HN 0.880 nan 8.370 nan 0.000 0.450 660 D N -0.281 120.151 120.400 0.054 0.000 2.340 660 D HA -0.062 4.578 4.640 -0.000 0.000 0.220 660 D C 0.293 176.633 176.300 0.067 0.000 1.039 660 D CA 0.107 54.135 54.000 0.046 0.000 0.866 660 D CB -0.354 40.462 40.800 0.028 0.000 0.913 660 D HN 0.167 nan 8.370 nan 0.000 0.523 661 Q N -0.972 118.883 119.800 0.093 0.000 2.481 661 Q HA -0.245 4.095 4.340 -0.000 0.000 0.258 661 Q C 0.538 176.653 176.000 0.192 0.000 0.961 661 Q CA 1.157 57.038 55.803 0.130 0.000 1.121 661 Q CB -1.503 27.312 28.738 0.129 0.000 1.503 661 Q HN 0.381 nan 8.270 nan 0.000 0.544 662 K N -0.193 120.291 120.400 0.140 0.000 2.353 662 K HA 0.149 4.469 4.320 -0.000 0.000 0.195 662 K C 0.336 177.038 176.600 0.169 0.000 1.031 662 K CA 0.404 56.775 56.287 0.141 0.000 1.079 662 K CB 0.545 33.068 32.500 0.039 0.000 0.857 662 K HN 0.201 nan 8.250 nan 0.000 0.535 663 Q N -0.280 119.601 119.800 0.135 0.000 2.389 663 Q HA 0.670 5.010 4.340 -0.000 0.000 0.277 663 Q C -1.563 174.472 176.000 0.058 0.000 1.082 663 Q CA -0.824 55.040 55.803 0.102 0.000 0.810 663 Q CB 2.670 31.462 28.738 0.091 0.000 1.374 663 Q HN 0.086 nan 8.270 nan 0.000 0.422 664 A N 1.938 124.766 122.820 0.013 0.000 2.589 664 A HA 0.733 5.053 4.320 -0.000 0.000 0.296 664 A C -1.587 175.996 177.584 -0.000 0.000 1.062 664 A CA -0.528 51.518 52.037 0.014 0.000 0.686 664 A CB 1.308 20.324 19.000 0.027 0.000 1.282 664 A HN 0.633 nan 8.150 nan 0.000 0.404 665 I N 1.514 122.105 120.570 0.034 0.000 2.418 665 I HA 0.592 4.762 4.170 -0.000 0.000 0.287 665 I C 0.411 176.795 176.117 0.446 0.000 1.008 665 I CA -0.422 60.965 61.300 0.145 0.000 1.104 665 I CB 1.905 39.836 38.000 -0.116 0.000 1.264 665 I HN 0.849 nan 8.210 nan 0.000 0.438 666 A N 5.140 128.257 122.820 0.495 0.000 2.311 666 A HA 0.982 5.302 4.320 -0.000 0.000 0.334 666 A C -0.709 177.104 177.584 0.383 0.000 1.139 666 A CA -0.507 51.809 52.037 0.465 0.000 0.830 666 A CB 1.583 20.798 19.000 0.357 0.000 1.234 666 A HN 0.800 nan 8.150 nan 0.000 0.483 667 A N 0.931 123.823 122.820 0.121 0.000 2.488 667 A HA 0.724 5.044 4.320 -0.000 0.000 0.298 667 A C -0.564 176.652 177.584 -0.614 0.000 1.044 667 A CA -0.538 51.346 52.037 -0.255 0.000 0.693 667 A CB 1.155 20.028 19.000 -0.212 0.000 1.272 667 A HN 0.923 nan 8.150 nan 0.000 0.402 668 R N 1.932 122.001 120.500 -0.719 0.000 2.437 668 R HA 0.638 4.978 4.340 -0.000 0.000 0.310 668 R C -1.914 173.986 176.300 -0.667 0.000 0.955 668 R CA -0.376 55.381 56.100 -0.572 0.000 0.851 668 R CB 0.966 31.044 30.300 -0.369 0.000 1.161 668 R HN 0.717 nan 8.270 nan 0.000 0.446 669 Y N 2.101 122.250 120.300 -0.251 0.000 2.341 669 Y HA 0.287 4.837 4.550 0.000 0.000 0.338 669 Y C 0.001 175.827 175.900 -0.123 0.000 0.965 669 Y CA -0.755 57.239 58.100 -0.176 0.000 1.108 669 Y CB 1.956 40.275 38.460 -0.235 0.000 1.180 669 Y HN 0.414 nan 8.280 nan 0.000 0.458 670 Q N 3.312 123.154 119.800 0.070 0.000 2.316 670 Q HA 0.424 4.764 4.340 -0.000 0.000 0.264 670 Q C -0.200 175.811 176.000 0.019 0.000 0.987 670 Q CA -0.429 55.380 55.803 0.010 0.000 0.852 670 Q CB 1.460 30.178 28.738 -0.033 0.000 1.287 670 Q HN 0.967 nan 8.270 nan 0.000 0.448 671 L N 2.677 123.894 121.223 -0.011 0.000 2.068 671 L HA 0.046 4.386 4.340 -0.000 0.000 0.204 671 L C 0.183 176.909 176.870 -0.241 0.000 1.076 671 L CA 0.648 55.501 54.840 0.021 0.000 0.753 671 L CB 0.068 42.171 42.059 0.074 0.000 0.910 671 L HN 0.463 nan 8.230 nan 0.000 0.439 672 L N 0.149 121.215 121.223 -0.262 0.000 2.341 672 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 672 L C -0.314 176.218 176.870 -0.563 0.000 1.005 672 L CA -0.274 54.307 54.840 -0.431 0.000 0.818 672 L CB 1.171 43.014 42.059 -0.361 0.000 1.259 672 L HN -0.055 nan 8.230 nan 0.000 0.418 673 N N 2.051 120.441 118.700 -0.517 0.000 2.529 673 N HA 0.299 5.039 4.740 -0.000 0.000 0.278 673 N C -1.039 174.135 175.510 -0.559 0.000 1.146 673 N CA -0.037 52.750 53.050 -0.439 0.000 0.980 673 N CB 0.544 38.855 38.487 -0.293 0.000 1.124 673 N HN 0.379 nan 8.380 nan 0.000 0.458 674 H N 1.431 120.436 119.070 -0.108 0.000 2.622 674 H HA 0.457 5.013 4.556 -0.000 0.000 0.363 674 H C -2.060 173.217 175.328 -0.085 0.000 1.151 674 H CA -1.392 54.604 56.048 -0.088 0.000 1.184 674 H CB 1.475 31.191 29.762 -0.077 0.000 1.643 674 H HN 0.568 nan 8.280 nan 0.000 0.531 675 P HA 0.087 nan 4.420 nan 0.000 0.279 675 P C 0.018 177.311 177.300 -0.011 0.000 1.252 675 P CA -0.540 62.561 63.100 0.001 0.000 0.811 675 P CB 0.892 32.591 31.700 -0.002 0.000 1.035 676 N N -1.147 117.535 118.700 -0.030 0.000 2.714 676 N HA -0.177 4.563 4.740 -0.000 0.000 0.253 676 N C -0.571 174.902 175.510 -0.062 0.000 1.024 676 N CA 0.849 53.870 53.050 -0.047 0.000 0.726 676 N CB -1.412 37.048 38.487 -0.045 0.000 0.908 676 N HN 0.666 nan 8.380 nan 0.000 0.542 677 A N 0.549 123.333 122.820 -0.060 0.000 2.271 677 A HA 0.705 5.025 4.320 -0.000 0.000 0.288 677 A C -1.537 175.980 177.584 -0.112 0.000 1.094 677 A CA -0.848 51.151 52.037 -0.062 0.000 0.828 677 A CB 0.091 19.068 19.000 -0.039 0.000 1.091 677 A HN 0.360 nan 8.150 nan 0.000 0.493 678 P HA 0.189 nan 4.420 nan 0.000 0.270 678 P C -0.886 176.367 177.300 -0.079 0.000 1.223 678 P CA 0.057 63.086 63.100 -0.118 0.000 0.785 678 P CB 0.054 31.721 31.700 -0.055 0.000 0.923 679 Y N -0.209 120.057 120.300 -0.058 0.000 2.497 679 Y HA 0.110 4.660 4.550 -0.000 0.000 0.334 679 Y C 1.290 177.046 175.900 -0.241 0.000 1.199 679 Y CA 0.210 58.219 58.100 -0.152 0.000 1.425 679 Y CB -0.280 38.162 38.460 -0.029 0.000 1.291 679 Y HN 0.171 nan 8.280 nan 0.000 0.562 680 T N 5.293 119.697 114.554 -0.250 0.000 2.771 680 T HA 0.402 4.752 4.350 -0.000 0.000 0.291 680 T C -0.060 174.449 174.700 -0.318 0.000 0.954 680 T CA -0.660 61.296 62.100 -0.240 0.000 1.045 680 T CB 0.247 68.978 68.868 -0.228 0.000 0.917 680 T HN 0.410 nan 8.240 nan 0.000 0.484 681 R N 2.752 123.154 120.500 -0.164 0.000 2.409 681 R HA 0.432 4.772 4.340 -0.000 0.000 0.313 681 R C -1.389 174.786 176.300 -0.208 0.000 0.953 681 R CA -0.722 55.239 56.100 -0.232 0.000 0.849 681 R CB 0.561 30.693 30.300 -0.280 0.000 1.171 681 R HN 0.506 nan 8.270 nan 0.000 0.458 682 F N 4.735 124.458 119.950 -0.379 0.000 2.420 682 F HA 0.318 4.845 4.527 -0.000 0.000 0.352 682 F C -1.219 174.284 175.800 -0.495 0.000 1.108 682 F CA -0.553 57.199 58.000 -0.413 0.000 1.162 682 F CB 0.548 39.199 39.000 -0.581 0.000 1.118 682 F HN 0.467 nan 8.300 nan 0.000 0.510 683 Y N 6.971 126.711 120.300 -0.933 0.000 2.595 683 Y HA 0.316 4.866 4.550 -0.000 0.000 0.336 683 Y C -0.370 174.974 175.900 -0.926 0.000 0.996 683 Y CA -0.777 56.922 58.100 -0.669 0.000 1.260 683 Y CB -0.098 38.147 38.460 -0.360 0.000 1.108 683 Y HN 0.366 nan 8.280 nan 0.000 0.509 684 F N 3.468 123.021 119.950 -0.663 0.000 2.589 684 F HA 0.102 4.629 4.527 -0.000 0.000 0.352 684 F C 0.593 176.178 175.800 -0.359 0.000 1.168 684 F CA 0.204 57.906 58.000 -0.498 0.000 1.353 684 F CB 0.428 39.214 39.000 -0.356 0.000 1.116 684 F HN 0.262 nan 8.300 nan 0.000 0.608 685 K N 0.442 120.708 120.400 -0.223 0.000 2.352 685 K HA 0.614 4.934 4.320 -0.000 0.000 0.240 685 K C 0.580 176.806 176.600 -0.624 0.000 1.017 685 K CA -0.431 55.622 56.287 -0.389 0.000 0.851 685 K CB 1.296 33.522 32.500 -0.458 0.000 1.261 685 K HN 0.698 nan 8.250 nan 0.000 0.451 686 G N 0.334 108.708 108.800 -0.711 0.000 2.143 686 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 686 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 686 G C -0.122 174.665 174.900 -0.187 0.000 0.991 686 G CA 0.356 45.092 45.100 -0.607 0.000 0.689 686 G HN 0.298 nan 8.290 nan 0.000 0.522 687 L N -0.957 120.173 121.223 -0.155 0.000 2.365 687 L HA 0.630 4.970 4.340 -0.000 0.000 0.267 687 L C 1.176 178.081 176.870 0.059 0.000 1.033 687 L CA -1.252 53.547 54.840 -0.068 0.000 0.802 687 L CB 0.918 42.821 42.059 -0.261 0.000 1.267 687 L HN 0.028 nan 8.230 nan 0.000 0.457 688 R N 1.112 121.728 120.500 0.193 0.000 2.267 688 R HA 0.149 4.489 4.340 -0.000 0.000 0.319 688 R C -1.642 174.772 176.300 0.191 0.000 1.067 688 R CA -1.498 54.698 56.100 0.159 0.000 0.936 688 R CB 0.901 31.278 30.300 0.129 0.000 1.006 688 R HN 0.312 nan 8.270 nan 0.000 0.452 689 P HA -0.171 nan 4.420 nan 0.000 0.216 689 P C 0.082 177.515 177.300 0.221 0.000 1.153 689 P CA 1.349 64.533 63.100 0.141 0.000 0.858 689 P CB 0.296 32.041 31.700 0.074 0.000 0.789 690 N N -1.459 117.338 118.700 0.161 0.000 2.230 690 N HA 0.037 4.777 4.740 -0.000 0.000 0.202 690 N C 0.524 176.212 175.510 0.296 0.000 1.119 690 N CA 0.097 53.304 53.050 0.261 0.000 0.851 690 N CB 0.086 38.482 38.487 -0.152 0.000 0.990 690 N HN 0.241 nan 8.380 nan 0.000 0.497 691 Q N 1.210 121.074 119.800 0.106 0.000 2.259 691 Q HA 0.265 4.605 4.340 -0.000 0.000 0.249 691 Q C -0.509 175.246 176.000 -0.409 0.000 0.914 691 Q CA -0.264 55.427 55.803 -0.187 0.000 0.904 691 Q CB 0.845 29.363 28.738 -0.365 0.000 1.213 691 Q HN 0.001 nan 8.270 nan 0.000 0.428 692 R N 2.896 123.057 120.500 -0.565 0.000 2.297 692 R HA 0.413 4.753 4.340 -0.000 0.000 0.308 692 R C -0.875 175.101 176.300 -0.540 0.000 1.029 692 R CA -0.262 55.470 56.100 -0.613 0.000 0.929 692 R CB 0.829 30.739 30.300 -0.651 0.000 1.046 692 R HN 0.622 nan 8.270 nan 0.000 0.461 693 Y N 0.171 120.373 120.300 -0.163 0.000 2.633 693 Y HA 0.352 4.902 4.550 -0.000 0.000 0.339 693 Y C 0.118 175.993 175.900 -0.042 0.000 1.045 693 Y CA -0.991 57.049 58.100 -0.100 0.000 1.098 693 Y CB 2.087 40.472 38.460 -0.125 0.000 1.296 693 Y HN 0.315 nan 8.280 nan 0.000 0.494 694 Q N 1.376 121.272 119.800 0.160 0.000 2.423 694 Q HA 0.665 5.005 4.340 -0.000 0.000 0.278 694 Q C -1.598 174.459 176.000 0.095 0.000 1.097 694 Q CA -0.880 55.004 55.803 0.136 0.000 0.809 694 Q CB 3.372 32.157 28.738 0.080 0.000 1.391 694 Q HN 0.557 nan 8.270 nan 0.000 0.428 695 I N 2.850 123.485 120.570 0.107 0.000 2.439 695 I HA 0.268 4.438 4.170 -0.000 0.000 0.283 695 I C -0.327 175.876 176.117 0.143 0.000 1.023 695 I CA -0.528 60.798 61.300 0.042 0.000 1.100 695 I CB 1.066 38.958 38.000 -0.180 0.000 1.238 695 I HN 0.669 nan 8.210 nan 0.000 0.445 696 N N 4.263 123.042 118.700 0.132 0.000 1.220 696 N HA -0.262 4.478 4.740 -0.000 0.000 0.114 696 N C 0.397 175.984 175.510 0.129 0.000 0.835 696 N CA 1.710 54.837 53.050 0.130 0.000 0.863 696 N CB -0.570 37.999 38.487 0.136 0.000 0.992 696 N HN 0.860 nan 8.380 nan 0.000 0.632 697 D N 0.390 120.864 120.400 0.124 0.000 2.328 697 D HA 0.076 4.716 4.640 -0.000 0.000 0.221 697 D C -0.081 176.294 176.300 0.125 0.000 1.072 697 D CA 0.018 54.082 54.000 0.108 0.000 0.850 697 D CB -0.585 40.266 40.800 0.085 0.000 0.922 697 D HN 0.473 nan 8.370 nan 0.000 0.516 698 D N 1.974 122.481 120.400 0.179 0.000 2.401 698 D HA 0.003 4.643 4.640 -0.000 0.000 0.254 698 D C -1.183 175.212 176.300 0.158 0.000 1.192 698 D CA -1.628 52.500 54.000 0.213 0.000 0.885 698 D CB 1.564 42.589 40.800 0.375 0.000 1.147 698 D HN -0.019 nan 8.370 nan 0.000 0.478 699 P HA -0.014 nan 4.420 nan 0.000 0.231 699 P C 0.130 177.426 177.300 -0.006 0.000 1.168 699 P CA -0.027 63.099 63.100 0.043 0.000 0.779 699 P CB 0.318 32.036 31.700 0.030 0.000 0.844 700 S N 0.224 115.908 115.700 -0.026 0.000 2.589 700 S HA 0.292 4.762 4.470 -0.000 0.000 0.265 700 S C 0.688 175.083 174.600 -0.342 0.000 1.342 700 S CA 0.084 58.154 58.200 -0.217 0.000 1.005 700 S CB 0.336 63.329 63.200 -0.345 0.000 0.909 700 S HN 0.301 nan 8.310 nan 0.000 0.555 701 T N 0.536 114.813 114.554 -0.461 0.000 2.829 701 T HA 0.665 5.015 4.350 -0.000 0.000 0.280 701 T C -1.410 172.986 174.700 -0.506 0.000 0.999 701 T CA -0.584 61.291 62.100 -0.374 0.000 0.983 701 T CB 0.412 69.138 68.868 -0.238 0.000 0.968 701 T HN 0.436 nan 8.240 nan 0.000 0.446 702 Y N 1.439 121.730 120.300 -0.015 0.000 2.425 702 Y HA 0.514 5.064 4.550 -0.000 0.000 0.344 702 Y C -0.358 175.561 175.900 0.032 0.000 0.969 702 Y CA -1.349 56.782 58.100 0.052 0.000 1.052 702 Y CB 1.455 39.943 38.460 0.047 0.000 1.215 702 Y HN 0.634 nan 8.280 nan 0.000 0.451 703 Y N 0.908 121.347 120.300 0.232 0.000 2.411 703 Y HA 0.191 4.741 4.550 -0.000 0.000 0.333 703 Y C 1.620 177.664 175.900 0.239 0.000 1.186 703 Y CA 0.790 59.020 58.100 0.217 0.000 1.381 703 Y CB 1.031 39.597 38.460 0.177 0.000 1.273 703 Y HN 0.931 nan 8.280 nan 0.000 0.546 704 G N 1.696 110.759 108.800 0.438 0.000 2.547 704 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.221 704 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.221 704 G C 1.226 176.223 174.900 0.163 0.000 1.140 704 G CA 1.457 46.731 45.100 0.289 0.000 0.760 704 G HN 0.830 nan 8.290 nan 0.000 0.583 705 D N 0.422 120.950 120.400 0.213 0.000 2.269 705 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 705 D C 1.962 178.346 176.300 0.140 0.000 0.963 705 D CA 1.072 55.158 54.000 0.144 0.000 0.864 705 D CB -0.563 40.310 40.800 0.122 0.000 0.936 705 D HN 0.491 nan 8.370 nan 0.000 0.505 706 E N 0.226 120.539 120.200 0.188 0.000 2.047 706 E HA -0.000 4.350 4.350 -0.000 0.000 0.191 706 E C 1.005 177.669 176.600 0.106 0.000 0.987 706 E CA 0.394 56.899 56.400 0.175 0.000 0.799 706 E CB 0.047 29.910 29.700 0.273 0.000 0.752 706 E HN 0.303 nan 8.360 nan 0.000 0.449 710 A N 0.731 123.665 122.820 0.190 0.000 1.973 710 A HA 0.650 4.970 4.320 -0.000 0.000 0.210 710 A C 1.090 178.671 177.584 -0.006 0.000 1.200 710 A CA 1.580 53.706 52.037 0.149 0.000 0.707 710 A CB -0.153 18.908 19.000 0.101 0.000 0.862 710 A HN 0.683 nan 8.150 nan 0.000 0.461 711 G N -2.238 106.486 108.800 -0.126 0.000 2.592 711 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.684 711 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.684 711 G C -0.697 174.125 174.900 -0.130 0.000 1.291 711 G CA -0.203 44.625 45.100 -0.453 0.000 0.891 711 G HN 1.059 nan 8.290 nan 0.000 0.544 712 Y N -0.331 119.808 120.300 -0.267 0.000 2.350 712 Y HA 0.624 5.174 4.550 -0.000 0.000 0.338 712 Y C 0.137 175.994 175.900 -0.071 0.000 0.961 712 Y CA -1.244 56.775 58.100 -0.134 0.000 1.100 712 Y CB 1.314 39.763 38.460 -0.019 0.000 1.179 712 Y HN 0.806 nan 8.280 nan 0.000 0.454 713 F N 6.692 126.343 119.950 -0.497 0.000 2.495 713 F HA 0.466 4.993 4.527 0.000 0.000 0.365 713 F C -1.113 174.448 175.800 -0.399 0.000 1.090 713 F CA -0.258 57.509 58.000 -0.388 0.000 1.235 713 F CB 0.461 39.241 39.000 -0.367 0.000 1.119 713 F HN 0.183 nan 8.300 nan 0.000 0.562 714 V N 8.015 127.595 119.914 -0.558 0.000 2.448 714 V HA 0.326 4.446 4.120 -0.000 0.000 0.295 714 V C -2.131 173.769 176.094 -0.324 0.000 1.025 714 V CA -2.174 60.007 62.300 -0.199 0.000 0.859 714 V CB 1.399 33.237 31.823 0.025 0.000 0.988 714 V HN 0.665 nan 8.190 nan 0.000 0.431 715 P HA -0.033 nan 4.420 nan 0.000 0.261 715 P C 0.300 177.585 177.300 -0.025 0.000 1.158 715 P CA 0.588 63.756 63.100 0.113 0.000 0.758 715 P CB 0.055 31.824 31.700 0.115 0.000 0.763 716 T N 3.974 118.528 114.554 0.001 0.000 2.937 716 T HA 0.083 4.433 4.350 -0.000 0.000 0.316 716 T C 0.839 175.462 174.700 -0.129 0.000 1.079 716 T CA 0.120 62.187 62.100 -0.055 0.000 1.131 716 T CB -0.082 68.791 68.868 0.009 0.000 1.000 716 T HN 0.178 nan 8.240 nan 0.000 0.549 717 I N 3.181 123.608 120.570 -0.238 0.000 2.363 717 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 717 I C 0.208 176.167 176.117 -0.263 0.000 1.075 717 I CA -0.003 61.051 61.300 -0.411 0.000 1.333 717 I CB -0.014 37.569 38.000 -0.695 0.000 1.415 717 I HN 0.303 nan 8.210 nan 0.000 0.502 718 L N 5.588 126.696 121.223 -0.191 0.000 2.344 718 L HA 0.680 5.020 4.340 -0.000 0.000 0.272 718 L C 0.564 177.382 176.870 -0.087 0.000 1.035 718 L CA -0.955 53.822 54.840 -0.105 0.000 0.807 718 L CB 1.566 43.593 42.059 -0.052 0.000 1.237 718 L HN 0.609 nan 8.230 nan 0.000 0.442 719 A N 0.843 123.627 122.820 -0.061 0.000 2.440 719 A HA 0.267 4.587 4.320 -0.000 0.000 0.251 719 A C 0.075 177.648 177.584 -0.019 0.000 1.089 719 A CA -0.156 51.857 52.037 -0.040 0.000 0.779 719 A CB 0.037 19.017 19.000 -0.035 0.000 1.022 719 A HN 0.838 nan 8.150 nan 0.000 0.492 720 D N 0.623 121.020 120.400 -0.006 0.000 2.527 720 D HA 0.254 4.894 4.640 -0.000 0.000 0.224 720 D C 0.951 177.255 176.300 0.007 0.000 1.217 720 D CA 0.707 54.709 54.000 0.005 0.000 0.819 720 D CB -0.393 40.417 40.800 0.016 0.000 1.061 720 D HN 1.347 nan 8.370 nan 0.000 0.515 721 G N 0.497 109.299 108.800 0.003 0.000 2.168 721 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.263 721 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.263 721 G C 1.034 175.939 174.900 0.009 0.000 0.977 721 G CA 0.837 45.940 45.100 0.004 0.000 0.659 721 G HN 0.385 nan 8.290 nan 0.000 0.533 722 Q N -0.297 119.511 119.800 0.014 0.000 2.511 722 Q HA 0.203 4.543 4.340 -0.000 0.000 0.236 722 Q C 1.211 177.224 176.000 0.022 0.000 0.893 722 Q CA 1.569 57.383 55.803 0.018 0.000 0.947 722 Q CB 0.640 29.391 28.738 0.021 0.000 1.110 722 Q HN 0.935 nan 8.270 nan 0.000 0.591 723 E N -0.675 119.541 120.200 0.027 0.000 2.429 723 E HA 0.485 4.835 4.350 -0.000 0.000 0.276 723 E C -0.981 175.637 176.600 0.030 0.000 0.953 723 E CA -0.687 55.733 56.400 0.033 0.000 0.787 723 E CB 1.589 31.316 29.700 0.045 0.000 1.307 723 E HN -0.139 nan 8.360 nan 0.000 0.458 724 S N 0.124 115.842 115.700 0.031 0.000 2.568 724 S HA 0.094 4.564 4.470 -0.000 0.000 0.282 724 S C 0.133 174.746 174.600 0.022 0.000 1.338 724 S CA -0.321 57.883 58.200 0.007 0.000 1.045 724 S CB 0.327 63.533 63.200 0.011 0.000 0.873 724 S HN 0.455 nan 8.310 nan 0.000 0.516 725 K N 2.566 122.948 120.400 -0.031 0.000 2.514 725 K HA 0.338 4.658 4.320 -0.000 0.000 0.207 725 K C -0.721 175.820 176.600 -0.098 0.000 1.035 725 K CA -0.262 56.024 56.287 -0.002 0.000 1.113 725 K CB -0.118 32.322 32.500 -0.099 0.000 0.846 725 K HN 0.538 nan 8.250 nan 0.000 0.491 726 D N 0.541 120.803 120.400 -0.229 0.000 2.312 726 D HA 0.196 4.836 4.640 -0.000 0.000 0.248 726 D C 0.261 176.289 176.300 -0.453 0.000 1.086 726 D CA -0.403 53.242 54.000 -0.591 0.000 0.948 726 D CB 0.406 40.572 40.800 -1.058 0.000 1.162 726 D HN -0.004 nan 8.370 nan 0.000 0.446 727 F N -0.646 119.316 119.950 0.019 0.000 2.797 727 F HA -0.255 4.272 4.527 -0.000 0.000 0.273 727 F C -0.401 175.434 175.800 0.058 0.000 1.020 727 F CA 0.076 58.089 58.000 0.021 0.000 0.961 727 F CB -2.590 36.404 39.000 -0.010 0.000 1.020 727 F HN 0.274 nan 8.300 nan 0.000 0.840 728 Y N 0.280 120.599 120.300 0.031 0.000 2.361 728 Y HA 0.674 5.224 4.550 -0.000 0.000 0.332 728 Y C 0.567 176.450 175.900 -0.029 0.000 1.101 728 Y CA -0.639 57.452 58.100 -0.016 0.000 1.137 728 Y CB 1.555 39.967 38.460 -0.080 0.000 1.207 728 Y HN 0.185 nan 8.280 nan 0.000 0.463 729 T N 5.304 119.657 114.554 -0.335 0.000 2.824 729 T HA 0.371 4.721 4.350 -0.000 0.000 0.282 729 T C -1.209 173.286 174.700 -0.343 0.000 0.993 729 T CA -0.837 61.078 62.100 -0.307 0.000 0.967 729 T CB 1.238 69.957 68.868 -0.247 0.000 0.960 729 T HN 0.512 nan 8.240 nan 0.000 0.441 730 Q N 2.118 121.706 119.800 -0.353 0.000 2.341 730 Q HA 0.592 4.932 4.340 -0.000 0.000 0.268 730 Q C -1.250 174.325 176.000 -0.708 0.000 1.013 730 Q CA -0.820 54.707 55.803 -0.460 0.000 0.798 730 Q CB 1.887 30.418 28.738 -0.345 0.000 1.253 730 Q HN 0.344 nan 8.270 nan 0.000 0.457 731 L N 2.726 123.553 121.223 -0.660 0.000 2.334 731 L HA 0.576 4.916 4.340 -0.000 0.000 0.275 731 L C -1.417 175.060 176.870 -0.655 0.000 1.036 731 L CA -0.186 54.400 54.840 -0.423 0.000 0.807 731 L CB 0.889 42.881 42.059 -0.112 0.000 1.231 731 L HN 0.524 nan 8.230 nan 0.000 0.438 732 F N 3.528 123.512 119.950 0.056 0.000 2.771 732 F HA 0.368 4.895 4.527 -0.000 0.000 0.365 732 F C -0.315 175.557 175.800 0.121 0.000 1.169 732 F CA -0.841 57.218 58.000 0.098 0.000 1.093 732 F CB 1.331 40.429 39.000 0.162 0.000 1.363 732 F HN -0.040 nan 8.300 nan 0.000 0.496 733 V N 4.300 124.328 119.914 0.189 0.000 2.408 733 V HA 0.285 4.405 4.120 -0.000 0.000 0.267 733 V C 0.007 176.140 176.094 0.065 0.000 1.047 733 V CA -0.575 61.768 62.300 0.072 0.000 0.937 733 V CB 1.045 32.886 31.823 0.029 0.000 0.999 733 V HN 0.409 nan 8.190 nan 0.000 0.472 734 V N 4.839 124.767 119.914 0.023 0.000 2.347 734 V HA 0.408 4.528 4.120 -0.000 0.000 0.280 734 V C 0.354 176.487 176.094 0.065 0.000 1.021 734 V CA -0.185 62.100 62.300 -0.025 0.000 0.847 734 V CB 1.626 33.335 31.823 -0.190 0.000 0.990 734 V HN 0.931 nan 8.190 nan 0.000 0.444 735 T N 4.327 118.951 114.554 0.117 0.000 2.807 735 T HA 0.640 4.990 4.350 -0.000 0.000 0.279 735 T C 0.250 175.048 174.700 0.162 0.000 0.993 735 T CA -0.279 61.904 62.100 0.138 0.000 0.970 735 T CB 1.643 70.571 68.868 0.100 0.000 0.950 735 T HN 0.869 nan 8.240 nan 0.000 0.441 736 A N 3.739 126.620 122.820 0.101 0.000 2.450 736 A HA 0.486 4.806 4.320 -0.000 0.000 0.255 736 A C 0.321 177.832 177.584 -0.122 0.000 1.096 736 A CA -0.388 51.567 52.037 -0.136 0.000 0.778 736 A CB -0.226 18.654 19.000 -0.201 0.000 1.031 736 A HN 0.882 nan 8.150 nan 0.000 0.494 737 I N 3.468 123.925 120.570 -0.189 0.000 2.379 737 I HA 0.111 4.281 4.170 -0.000 0.000 0.290 737 I C -0.578 175.451 176.117 -0.146 0.000 1.063 737 I CA 0.212 61.426 61.300 -0.143 0.000 1.351 737 I CB 0.402 38.305 38.000 -0.161 0.000 1.410 737 I HN 0.476 nan 8.210 nan 0.000 0.505 738 L N 7.366 128.528 121.223 -0.101 0.000 2.280 738 L HA 0.712 5.052 4.340 -0.000 0.000 0.287 738 L C 0.185 177.007 176.870 -0.080 0.000 1.023 738 L CA -0.055 54.730 54.840 -0.093 0.000 0.819 738 L CB 1.215 43.223 42.059 -0.084 0.000 1.212 738 L HN 0.752 nan 8.230 nan 0.000 0.420 739 E N 1.637 121.793 120.200 -0.074 0.000 2.392 739 E HA 0.327 4.677 4.350 -0.000 0.000 0.281 739 E C -1.451 175.142 176.600 -0.012 0.000 1.088 739 E CA -0.866 55.497 56.400 -0.061 0.000 0.850 739 E CB 0.911 30.605 29.700 -0.010 0.000 1.267 739 E HN 0.570 nan 8.360 nan 0.000 0.438 740 H N 0.633 119.728 119.070 0.041 0.000 2.897 740 H HA 0.516 5.072 4.556 -0.000 0.000 0.347 740 H C -0.610 174.770 175.328 0.087 0.000 1.068 740 H CA 1.264 57.335 56.048 0.038 0.000 1.426 740 H CB 0.744 30.503 29.762 -0.006 0.000 1.410 740 H HN 0.732 nan 8.280 nan 0.000 0.597 741 H N 0.968 120.092 119.070 0.091 0.000 3.026 741 H HA 0.184 4.740 4.556 -0.000 0.000 0.352 741 H C -1.023 174.217 175.328 -0.146 0.000 1.090 741 H CA -0.592 55.414 56.048 -0.069 0.000 1.268 741 H CB 0.564 30.180 29.762 -0.243 0.000 1.816 741 H HN 0.625 nan 8.280 nan 0.000 0.518 742 H N 4.057 122.828 119.070 -0.498 0.000 2.934 742 H HA 0.186 4.742 4.556 -0.000 0.000 0.273 742 H C 0.082 175.246 175.328 -0.273 0.000 1.121 742 H CA 0.009 55.897 56.048 -0.267 0.000 1.451 742 H CB -0.003 29.630 29.762 -0.214 0.000 1.469 742 H HN 0.437 nan 8.280 nan 0.000 0.476 743 H N 2.290 121.338 119.070 -0.036 0.000 2.505 743 H HA 0.156 4.712 4.556 -0.000 0.000 0.351 743 H C -0.203 174.891 175.328 -0.390 0.000 1.151 743 H CA -0.292 55.679 56.048 -0.128 0.000 1.339 743 H CB 1.148 30.647 29.762 -0.439 0.000 1.483 743 H HN 0.723 nan 8.280 nan 0.000 0.558 744 H N 1.633 120.592 119.070 -0.185 0.000 2.675 744 H HA 0.183 4.739 4.556 -0.000 0.000 0.258 744 H C 0.050 175.256 175.328 -0.204 0.000 1.271 744 H CA -0.373 55.585 56.048 -0.151 0.000 1.462 744 H CB 0.065 29.786 29.762 -0.068 0.000 1.467 744 H HN 0.498 nan 8.280 nan 0.000 0.501 745 H N 0.000 119.112 119.070 0.069 0.000 2.539 745 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 745 H CA 0.000 56.051 56.048 0.005 0.000 1.023 745 H CB 0.000 29.767 29.762 0.008 0.000 1.292 745 H HN 0.000 nan 8.280 nan 0.000 0.496