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 2w40_1_D DATA FIRST_RESID -1 DATA SEQUENCE GSMNVILSID QSTQSTKVFF YDEELNIVHS NNLNHEQKCL KPGWYEHDPI DATA SEQUENCE EIMTNLYNLM NEGIKVLKDK YTSVIIKCIG ITNQRETVII WDRITGKPLY DATA SEQUENCE NAIVWLDTRV EELVTEFSAK YNNNDIQKKT GTYFNTYFSA FKILWLIQNN DATA SEQUENCE PEIKQKIDDG TAVIGNINTW LIFNLTKGNC YTDVTNASRT LLMDINTLQW DATA SEQUENCE DEKMCKIFNI TNMSVLPEIK SNCSNFGLVK SEHVPDYLNI PITGCIGDQQ DATA SEQUENCE SACIGQAIFD EGEAKCTYGT GVFLLINTGE KVVYSTCGLI TTICYKFNDN DATA SEQUENCE DKPKYALEGS IGTAGSGVSW LLKNKLIDDP SEASDIMEKC ENTTGVIFVP DATA SEQUENCE AFSGLYAPRW RSDARASIYG MTFNTERSHI VRALLEGIAF QLNEIVDSLT DATA SEQUENCE SDMGIEMLHV LRCDGGMTKN KPFMQFNSDI INTKIEVSKY KEVTSLGAAV DATA SEQUENCE LAGLEVKIWD SLDSVKSLLR RSDAVFHSKM DDKKRKKKTS EWNKAVERTL DATA SEQUENCE IQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.983 3.960 0.039 0.000 0.244 -1 G C 0.000 174.926 174.900 0.043 0.000 0.946 -1 G CA 0.000 45.155 45.100 0.092 0.000 0.502 0 S N 1.155 116.862 115.700 0.011 0.000 2.430 0 S HA 0.479 4.972 4.470 0.039 0.000 0.289 0 S C 0.356 174.924 174.600 -0.054 0.000 1.143 0 S CA -0.528 57.663 58.200 -0.016 0.000 1.067 0 S CB 0.539 63.726 63.200 -0.023 0.000 0.964 0 S HN 0.688 nan 8.310 nan 0.000 0.485 1 M N 6.363 125.894 119.600 -0.114 0.000 2.077 1 M HA 0.388 4.892 4.480 0.039 0.000 0.348 1 M C -0.892 175.303 176.300 -0.175 0.000 1.252 1 M CA -0.405 54.742 55.300 -0.255 0.000 1.096 1 M CB 0.072 32.245 32.600 -0.712 0.000 1.568 1 M HN 0.309 nan 8.290 nan 0.000 0.456 2 N N 4.809 123.438 118.700 -0.118 0.000 2.434 2 N HA 0.566 5.330 4.740 0.039 0.000 0.272 2 N C -0.952 174.530 175.510 -0.045 0.000 1.040 2 N CA -0.242 52.765 53.050 -0.073 0.000 0.956 2 N CB 1.371 39.818 38.487 -0.067 0.000 1.108 2 N HN 0.620 nan 8.380 nan 0.000 0.481 3 V N -0.592 119.322 119.914 0.001 0.000 3.078 3 V HA 0.680 4.824 4.120 0.039 0.000 0.311 3 V C -0.472 175.689 176.094 0.111 0.000 1.138 3 V CA -1.017 61.335 62.300 0.087 0.000 1.007 3 V CB 1.864 33.782 31.823 0.159 0.000 1.045 3 V HN 0.416 nan 8.190 nan 0.000 0.432 4 I N 3.047 123.717 120.570 0.167 0.000 2.404 4 I HA 0.503 4.697 4.170 0.039 0.000 0.293 4 I C -0.855 175.360 176.117 0.162 0.000 0.992 4 I CA -0.742 60.643 61.300 0.142 0.000 1.149 4 I CB 1.786 39.866 38.000 0.133 0.000 1.315 4 I HN 0.592 nan 8.210 nan 0.000 0.446 5 L N 6.092 127.356 121.223 0.068 0.000 2.275 5 L HA 0.513 4.877 4.340 0.039 0.000 0.288 5 L C -0.168 176.678 176.870 -0.040 0.000 1.046 5 L CA 0.398 55.157 54.840 -0.134 0.000 0.805 5 L CB 1.430 43.390 42.059 -0.165 0.000 1.193 5 L HN 0.576 nan 8.230 nan 0.000 0.426 6 S N 5.941 121.645 115.700 0.007 0.000 2.498 6 S HA 0.668 5.162 4.470 0.039 0.000 0.317 6 S C -0.534 174.111 174.600 0.076 0.000 1.090 6 S CA -0.630 57.624 58.200 0.089 0.000 1.089 6 S CB 0.349 63.692 63.200 0.239 0.000 0.997 6 S HN 0.555 nan 8.310 nan 0.000 0.470 7 I N 4.015 124.596 120.570 0.019 0.000 2.336 7 I HA 0.344 4.537 4.170 0.039 0.000 0.292 7 I C -0.570 175.578 176.117 0.051 0.000 0.991 7 I CA -0.518 60.789 61.300 0.012 0.000 1.227 7 I CB 1.518 39.483 38.000 -0.057 0.000 1.366 7 I HN 0.534 nan 8.210 nan 0.000 0.466 8 D N 6.463 126.929 120.400 0.109 0.000 2.464 8 D HA 0.065 4.729 4.640 0.039 0.000 0.243 8 D C -0.491 175.860 176.300 0.084 0.000 1.104 8 D CA -0.448 53.616 54.000 0.106 0.000 0.883 8 D CB 0.943 41.851 40.800 0.181 0.000 1.050 8 D HN 0.236 nan 8.370 nan 0.000 0.524 9 Q N 2.754 122.582 119.800 0.047 0.000 2.423 9 Q HA 0.224 4.587 4.340 0.039 0.000 0.235 9 Q C -0.633 175.424 176.000 0.095 0.000 1.100 9 Q CA -0.001 55.829 55.803 0.044 0.000 0.908 9 Q CB 0.617 29.360 28.738 0.008 0.000 1.312 9 Q HN 0.422 nan 8.270 nan 0.000 0.497 10 S N 1.504 117.292 115.700 0.146 0.000 2.719 10 S HA 0.369 4.862 4.470 0.039 0.000 0.285 10 S C 1.146 175.919 174.600 0.288 0.000 1.137 10 S CA -0.164 58.149 58.200 0.188 0.000 1.012 10 S CB 0.918 64.219 63.200 0.169 0.000 1.134 10 S HN 0.645 nan 8.310 nan 0.000 0.544 11 T N 1.799 116.555 114.554 0.338 0.000 2.674 11 T HA -0.079 4.294 4.350 0.039 0.000 0.265 11 T C 1.577 176.427 174.700 0.251 0.000 1.039 11 T CA 1.447 63.819 62.100 0.453 0.000 1.150 11 T CB -0.288 68.919 68.868 0.565 0.000 0.864 11 T HN 0.583 nan 8.240 nan 0.000 0.427 12 Q N 0.474 120.339 119.800 0.109 0.000 2.396 12 Q HA 0.207 4.570 4.340 0.039 0.000 0.209 12 Q C 0.624 176.459 176.000 -0.274 0.000 0.906 12 Q CA 0.105 55.838 55.803 -0.116 0.000 0.927 12 Q CB 0.521 29.269 28.738 0.017 0.000 1.069 12 Q HN 0.524 nan 8.270 nan 0.000 0.523 13 S N -1.315 114.379 115.700 -0.010 0.000 2.615 13 S HA 0.452 4.946 4.470 0.039 0.000 0.269 13 S C -0.772 173.945 174.600 0.196 0.000 1.161 13 S CA -0.924 57.333 58.200 0.094 0.000 0.817 13 S CB 2.042 65.268 63.200 0.042 0.000 1.131 13 S HN -0.105 nan 8.310 nan 0.000 0.467 14 T N 1.922 116.564 114.554 0.147 0.000 2.794 14 T HA 0.629 5.002 4.350 0.039 0.000 0.280 14 T C -0.890 173.826 174.700 0.027 0.000 0.987 14 T CA -0.717 61.424 62.100 0.069 0.000 0.993 14 T CB 0.963 69.835 68.868 0.007 0.000 0.939 14 T HN 0.634 nan 8.240 nan 0.000 0.449 15 K N 1.610 122.028 120.400 0.030 0.000 2.378 15 K HA 0.713 5.056 4.320 0.039 0.000 0.252 15 K C -0.805 175.738 176.600 -0.094 0.000 0.931 15 K CA -1.028 55.227 56.287 -0.053 0.000 0.794 15 K CB 2.250 34.795 32.500 0.074 0.000 1.181 15 K HN 0.474 nan 8.250 nan 0.000 0.425 16 V N -0.507 119.230 119.914 -0.295 0.000 2.555 16 V HA 0.693 4.836 4.120 0.039 0.000 0.302 16 V C -1.127 174.611 176.094 -0.594 0.000 1.038 16 V CA -0.732 61.406 62.300 -0.270 0.000 0.887 16 V CB 0.565 32.306 31.823 -0.137 0.000 0.991 16 V HN 0.593 nan 8.190 nan 0.000 0.434 17 F N 3.670 123.496 119.950 -0.207 0.000 2.529 17 F HA 0.728 5.286 4.527 0.052 0.000 0.320 17 F C -0.571 175.027 175.800 -0.338 0.000 1.118 17 F CA -0.616 57.252 58.000 -0.221 0.000 0.915 17 F CB 2.213 41.063 39.000 -0.250 0.000 1.161 17 F HN 0.434 nan 8.300 nan 0.000 0.445 18 F N 2.882 122.856 119.950 0.040 0.000 2.388 18 F HA 0.452 4.995 4.527 0.027 0.000 0.358 18 F C -0.775 175.012 175.800 -0.022 0.000 1.122 18 F CA -0.926 57.129 58.000 0.091 0.000 1.056 18 F CB 0.776 39.857 39.000 0.135 0.000 1.155 18 F HN 0.301 nan 8.300 nan 0.000 0.461 19 Y N 1.947 122.391 120.300 0.239 0.000 2.360 19 Y HA 0.272 4.847 4.550 0.041 0.000 0.337 19 Y C 0.326 176.308 175.900 0.135 0.000 1.039 19 Y CA -1.264 56.938 58.100 0.169 0.000 1.109 19 Y CB 0.969 39.502 38.460 0.122 0.000 1.201 19 Y HN 0.570 nan 8.280 nan 0.000 0.458 20 D N 0.462 121.015 120.400 0.255 0.000 2.398 20 D HA 0.007 4.670 4.640 0.039 0.000 0.247 20 D C 0.312 176.733 176.300 0.201 0.000 1.227 20 D CA -0.295 53.800 54.000 0.158 0.000 0.980 20 D CB 0.622 41.477 40.800 0.092 0.000 1.106 20 D HN 0.659 nan 8.370 nan 0.000 0.493 21 E N -1.087 119.195 120.200 0.137 0.000 2.516 21 E HA -0.102 4.272 4.350 0.039 0.000 0.199 21 E C 0.415 177.238 176.600 0.372 0.000 1.069 21 E CA 0.584 57.094 56.400 0.182 0.000 0.876 21 E CB 0.032 29.740 29.700 0.014 0.000 0.843 21 E HN 0.436 nan 8.360 nan 0.000 0.530 22 E N -0.026 120.328 120.200 0.256 0.000 2.463 22 E HA 0.152 4.525 4.350 0.039 0.000 0.193 22 E C 0.138 176.826 176.600 0.148 0.000 1.041 22 E CA -0.053 56.470 56.400 0.205 0.000 0.879 22 E CB 0.172 29.953 29.700 0.136 0.000 0.997 22 E HN 0.108 nan 8.360 nan 0.000 0.478 23 L N 0.140 121.490 121.223 0.211 0.000 4.089 23 L HA -0.299 4.065 4.340 0.039 0.000 0.408 23 L C -0.786 176.230 176.870 0.243 0.000 1.184 23 L CA 0.152 55.093 54.840 0.168 0.000 0.947 23 L CB -2.206 39.788 42.059 -0.109 0.000 2.066 23 L HN 0.267 nan 8.230 nan 0.000 0.851 24 N N 0.583 119.421 118.700 0.231 0.000 2.514 24 N HA 0.508 5.271 4.740 0.039 0.000 0.277 24 N C 0.184 175.802 175.510 0.180 0.000 1.126 24 N CA -0.631 52.532 53.050 0.188 0.000 0.978 24 N CB 0.946 39.517 38.487 0.140 0.000 1.106 24 N HN 0.175 nan 8.380 nan 0.000 0.461 25 I N 2.567 123.175 120.570 0.064 0.000 2.578 25 I HA -0.077 4.117 4.170 0.039 0.000 0.286 25 I C 1.468 177.621 176.117 0.061 0.000 1.126 25 I CA -0.195 61.055 61.300 -0.085 0.000 1.380 25 I CB 0.316 38.260 38.000 -0.093 0.000 1.408 25 I HN 0.545 nan 8.210 nan 0.000 0.532 26 V N 2.921 122.899 119.914 0.107 0.000 3.174 26 V HA 0.178 4.322 4.120 0.039 0.000 0.254 26 V C 0.662 176.908 176.094 0.253 0.000 1.120 26 V CA 0.634 63.046 62.300 0.186 0.000 1.114 26 V CB -0.476 31.450 31.823 0.171 0.000 0.756 26 V HN 0.847 nan 8.190 nan 0.000 0.467 27 H N 0.319 119.461 119.070 0.121 0.000 3.094 27 H HA 0.599 5.173 4.556 0.029 0.000 0.346 27 H C -1.712 173.704 175.328 0.146 0.000 1.238 27 H CA 0.384 56.488 56.048 0.093 0.000 1.209 27 H CB 2.300 32.052 29.762 -0.017 0.000 1.911 27 H HN 0.453 nan 8.280 nan 0.000 0.540 28 S N 4.238 119.506 115.700 -0.720 0.000 2.550 28 S HA 0.525 5.019 4.470 0.039 0.000 0.270 28 S C -1.471 172.698 174.600 -0.720 0.000 1.145 28 S CA -0.942 56.859 58.200 -0.665 0.000 0.852 28 S CB 2.739 65.612 63.200 -0.546 0.000 1.119 28 S HN 0.728 nan 8.310 nan 0.000 0.465 29 N N 0.577 118.960 118.700 -0.529 0.000 2.927 29 N HA 0.552 5.316 4.740 0.039 0.000 0.248 29 N C -2.146 173.220 175.510 -0.239 0.000 1.443 29 N CA -0.419 52.457 53.050 -0.289 0.000 0.870 29 N CB 2.141 40.557 38.487 -0.118 0.000 1.444 29 N HN 1.008 nan 8.380 nan 0.000 0.519 30 N N 0.475 119.101 118.700 -0.123 0.000 2.708 30 N HA 0.487 5.251 4.740 0.039 0.000 0.257 30 N C -1.815 173.681 175.510 -0.022 0.000 1.373 30 N CA -0.444 52.563 53.050 -0.072 0.000 0.843 30 N CB 1.737 40.191 38.487 -0.056 0.000 1.503 30 N HN 0.420 nan 8.380 nan 0.000 0.504 31 L N 0.907 122.132 121.223 0.004 0.000 2.455 31 L HA 0.399 4.763 4.340 0.039 0.000 0.264 31 L C -0.604 176.293 176.870 0.045 0.000 0.968 31 L CA -0.967 53.885 54.840 0.020 0.000 0.827 31 L CB 2.068 44.141 42.059 0.024 0.000 1.317 31 L HN 0.509 nan 8.230 nan 0.000 0.407 32 N N 1.738 120.449 118.700 0.019 0.000 2.444 32 N HA 0.278 5.042 4.740 0.039 0.000 0.255 32 N C -0.801 174.725 175.510 0.027 0.000 1.255 32 N CA -0.180 52.857 53.050 -0.021 0.000 0.933 32 N CB 0.536 38.994 38.487 -0.048 0.000 1.143 32 N HN 0.549 nan 8.380 nan 0.000 0.453 33 H N -1.998 117.043 119.070 -0.048 0.000 2.894 33 H HA 0.367 4.942 4.556 0.032 0.000 0.368 33 H C -0.762 174.545 175.328 -0.037 0.000 1.181 33 H CA -0.792 55.221 56.048 -0.059 0.000 1.146 33 H CB 0.999 30.695 29.762 -0.109 0.000 1.839 33 H HN 0.466 nan 8.280 nan 0.000 0.557 34 E N 1.007 121.243 120.200 0.060 0.000 2.384 34 E HA -0.003 4.371 4.350 0.039 0.000 0.266 34 E C -0.592 176.065 176.600 0.095 0.000 1.012 34 E CA -0.490 55.928 56.400 0.030 0.000 0.901 34 E CB 0.580 30.309 29.700 0.049 0.000 0.967 34 E HN 0.380 nan 8.360 nan 0.000 0.435 35 Q N 3.842 123.654 119.800 0.019 0.000 2.456 35 Q HA 0.186 4.549 4.340 0.039 0.000 0.234 35 Q C -0.976 174.922 176.000 -0.170 0.000 1.061 35 Q CA -0.126 55.681 55.803 0.006 0.000 0.896 35 Q CB 0.851 29.547 28.738 -0.069 0.000 1.233 35 Q HN 0.312 nan 8.270 nan 0.000 0.506 36 K N 1.576 121.915 120.400 -0.102 0.000 2.284 36 K HA 0.321 4.664 4.320 0.039 0.000 0.287 36 K C -0.498 175.986 176.600 -0.193 0.000 1.081 36 K CA -0.157 56.070 56.287 -0.100 0.000 0.910 36 K CB 0.606 33.111 32.500 0.007 0.000 1.088 36 K HN 0.483 nan 8.250 nan 0.000 0.478 37 C N 4.754 123.942 119.300 -0.186 0.000 3.169 37 C HA 0.220 4.704 4.460 0.039 0.000 0.232 37 C C 1.012 175.971 174.990 -0.050 0.000 1.316 37 C CA -0.608 58.322 59.018 -0.147 0.000 1.545 37 C CB -1.060 26.539 27.740 -0.234 0.000 1.785 37 C HN 0.874 nan 8.230 nan 0.000 0.454 38 L N 1.115 122.335 121.223 -0.005 0.000 2.446 38 L HA 0.169 4.532 4.340 0.039 0.000 0.219 38 L C 0.937 177.709 176.870 -0.164 0.000 1.116 38 L CA 1.550 56.350 54.840 -0.066 0.000 0.844 38 L CB -0.130 41.907 42.059 -0.038 0.000 0.970 38 L HN 0.489 nan 8.230 nan 0.000 0.457 39 K N -1.334 118.934 120.400 -0.219 0.000 2.482 39 K HA 0.445 4.789 4.320 0.039 0.000 0.257 39 K C -2.565 173.970 176.600 -0.109 0.000 0.969 39 K CA -2.091 54.002 56.287 -0.324 0.000 0.842 39 K CB 1.138 33.143 32.500 -0.825 0.000 1.359 39 K HN -0.403 nan 8.250 nan 0.000 0.441 40 P HA -0.065 nan 4.420 nan 0.000 0.260 40 P C 0.567 177.964 177.300 0.162 0.000 1.185 40 P CA 1.330 64.464 63.100 0.057 0.000 0.763 40 P CB 0.268 31.994 31.700 0.044 0.000 0.776 41 G N 1.195 110.114 108.800 0.198 0.000 2.241 41 G HA2 -0.208 3.775 3.960 0.039 0.000 0.244 41 G HA3 -0.208 3.775 3.960 0.039 0.000 0.244 41 G C -0.415 174.679 174.900 0.324 0.000 0.998 41 G CA -0.654 44.592 45.100 0.243 0.000 0.621 41 G HN 0.348 nan 8.290 nan 0.000 0.519 42 W N 0.341 121.634 121.300 -0.011 0.000 2.316 42 W HA 0.772 5.455 4.660 0.037 0.000 0.321 42 W C 0.013 176.541 176.519 0.015 0.000 1.203 42 W CA -0.792 56.535 57.345 -0.030 0.000 1.214 42 W CB 0.344 29.778 29.460 -0.044 0.000 1.169 42 W HN 0.155 nan 8.180 nan 0.000 0.561 43 Y N 2.251 122.564 120.300 0.021 0.000 2.287 43 Y HA 0.262 4.834 4.550 0.037 0.000 0.325 43 Y C -0.461 175.346 175.900 -0.154 0.000 1.139 43 Y CA -0.661 57.398 58.100 -0.067 0.000 1.167 43 Y CB 1.025 39.395 38.460 -0.151 0.000 1.158 43 Y HN 0.441 nan 8.280 nan 0.000 0.434 44 E N 3.528 123.798 120.200 0.117 0.000 2.336 44 E HA 0.435 4.809 4.350 0.039 0.000 0.267 44 E C -1.478 175.154 176.600 0.054 0.000 0.906 44 E CA -1.122 55.297 56.400 0.031 0.000 0.781 44 E CB 2.618 32.347 29.700 0.049 0.000 1.261 44 E HN 0.621 nan 8.360 nan 0.000 0.436 45 H N -0.310 118.830 119.070 0.116 0.000 2.731 45 H HA 0.197 4.780 4.556 0.046 0.000 0.368 45 H C -1.063 174.268 175.328 0.005 0.000 1.168 45 H CA -1.065 55.052 56.048 0.114 0.000 1.181 45 H CB 1.711 31.555 29.762 0.137 0.000 1.743 45 H HN 0.328 nan 8.280 nan 0.000 0.547 46 D N 2.728 123.216 120.400 0.147 0.000 2.365 46 D HA 0.063 4.726 4.640 0.039 0.000 0.237 46 D C -1.726 174.563 176.300 -0.019 0.000 1.190 46 D CA -2.415 51.600 54.000 0.027 0.000 0.867 46 D CB 1.305 42.127 40.800 0.035 0.000 1.050 46 D HN 0.293 nan 8.370 nan 0.000 0.491 47 P HA -0.058 nan 4.420 nan 0.000 0.220 47 P C 1.607 179.008 177.300 0.168 0.000 1.148 47 P CA 0.736 63.738 63.100 -0.164 0.000 0.803 47 P CB 0.439 31.711 31.700 -0.713 0.000 0.782 48 I N -0.263 120.381 120.570 0.122 0.000 2.406 48 I HA -0.124 4.069 4.170 0.039 0.000 0.249 48 I C 2.639 178.780 176.117 0.040 0.000 1.122 48 I CA 0.967 62.351 61.300 0.139 0.000 1.431 48 I CB -0.568 37.492 38.000 0.101 0.000 1.087 48 I HN -0.018 nan 8.210 nan 0.000 0.424 49 E N 1.844 122.054 120.200 0.017 0.000 2.070 49 E HA -0.250 4.123 4.350 0.039 0.000 0.197 49 E C 2.325 178.889 176.600 -0.059 0.000 1.004 49 E CA 1.576 57.972 56.400 -0.007 0.000 0.805 49 E CB -0.035 29.676 29.700 0.017 0.000 0.744 49 E HN 0.442 nan 8.360 nan 0.000 0.451 50 I N 0.337 120.844 120.570 -0.106 0.000 2.163 50 I HA -0.315 3.878 4.170 0.039 0.000 0.243 50 I C 2.555 178.567 176.117 -0.175 0.000 1.085 50 I CA 0.903 62.084 61.300 -0.199 0.000 1.347 50 I CB -0.222 37.637 38.000 -0.235 0.000 1.044 50 I HN 0.297 nan 8.210 nan 0.000 0.408 51 M N -0.075 119.432 119.600 -0.156 0.000 2.132 51 M HA -0.142 4.361 4.480 0.039 0.000 0.263 51 M C 2.473 178.450 176.300 -0.538 0.000 1.065 51 M CA 1.904 56.931 55.300 -0.456 0.000 1.122 51 M CB -1.516 30.808 32.600 -0.460 0.000 1.365 51 M HN 0.204 nan 8.290 nan 0.000 0.411 52 T N 1.091 115.508 114.554 -0.228 0.000 2.720 52 T HA -0.135 4.239 4.350 0.039 0.000 0.268 52 T C 1.649 176.318 174.700 -0.052 0.000 1.037 52 T CA 1.484 63.536 62.100 -0.079 0.000 1.144 52 T CB -0.292 68.561 68.868 -0.025 0.000 0.864 52 T HN 0.302 nan 8.240 nan 0.000 0.444 53 N N 1.133 119.786 118.700 -0.079 0.000 2.084 53 N HA -0.028 4.736 4.740 0.039 0.000 0.190 53 N C 1.730 177.201 175.510 -0.064 0.000 1.030 53 N CA 0.661 53.684 53.050 -0.046 0.000 0.849 53 N CB -0.736 37.732 38.487 -0.031 0.000 1.012 53 N HN 0.205 nan 8.380 nan 0.000 0.423 54 L N 0.364 121.491 121.223 -0.161 0.000 2.017 54 L HA -0.139 4.225 4.340 0.039 0.000 0.208 54 L C 1.775 178.597 176.870 -0.081 0.000 1.073 54 L CA 1.621 56.359 54.840 -0.170 0.000 0.745 54 L CB -0.984 40.893 42.059 -0.304 0.000 0.894 54 L HN 0.097 nan 8.230 nan 0.000 0.432 55 Y N 0.162 120.412 120.300 -0.083 0.000 2.165 55 Y HA -0.215 4.342 4.550 0.012 0.000 0.286 55 Y C 2.659 178.551 175.900 -0.013 0.000 1.155 55 Y CA 1.352 59.414 58.100 -0.063 0.000 1.164 55 Y CB -1.207 37.218 38.460 -0.058 0.000 0.978 55 Y HN 0.341 nan 8.280 nan 0.000 0.513 56 N N 0.092 118.885 118.700 0.154 0.000 2.166 56 N HA -0.137 4.626 4.740 0.039 0.000 0.186 56 N C 1.960 177.534 175.510 0.106 0.000 1.019 56 N CA 1.102 54.217 53.050 0.109 0.000 0.856 56 N CB -0.590 37.941 38.487 0.074 0.000 0.993 56 N HN 0.328 nan 8.380 nan 0.000 0.426 57 L N 0.374 121.650 121.223 0.087 0.000 2.056 57 L HA -0.062 4.301 4.340 0.039 0.000 0.207 57 L C 2.380 179.368 176.870 0.197 0.000 1.078 57 L CA 0.938 55.844 54.840 0.111 0.000 0.749 57 L CB -0.299 41.792 42.059 0.054 0.000 0.901 57 L HN 0.124 nan 8.230 nan 0.000 0.433 58 M N -0.626 119.066 119.600 0.155 0.000 2.159 58 M HA -0.180 4.324 4.480 0.039 0.000 0.263 58 M C 1.948 178.487 176.300 0.399 0.000 1.063 58 M CA 1.482 56.913 55.300 0.218 0.000 1.110 58 M CB -0.406 32.074 32.600 -0.200 0.000 1.374 58 M HN 0.267 nan 8.290 nan 0.000 0.411 59 N N 0.068 118.929 118.700 0.268 0.000 2.171 59 N HA -0.142 4.621 4.740 0.039 0.000 0.184 59 N C 1.608 177.213 175.510 0.159 0.000 1.021 59 N CA 0.974 54.169 53.050 0.242 0.000 0.854 59 N CB -0.419 38.165 38.487 0.162 0.000 0.994 59 N HN 0.341 nan 8.380 nan 0.000 0.426 60 E N 0.827 121.110 120.200 0.138 0.000 2.058 60 E HA -0.125 4.248 4.350 0.039 0.000 0.194 60 E C 1.816 178.424 176.600 0.014 0.000 0.997 60 E CA 1.301 57.749 56.400 0.080 0.000 0.801 60 E CB -0.334 29.430 29.700 0.106 0.000 0.746 60 E HN 0.360 nan 8.360 nan 0.000 0.450 61 G N 1.251 110.118 108.800 0.111 0.000 2.418 61 G HA2 -0.250 3.734 3.960 0.039 0.000 0.217 61 G HA3 -0.250 3.734 3.960 0.039 0.000 0.217 61 G C 1.606 176.215 174.900 -0.484 0.000 1.158 61 G CA 0.757 45.748 45.100 -0.182 0.000 0.771 61 G HN 0.327 nan 8.290 nan 0.000 0.545 62 I N 0.766 121.250 120.570 -0.144 0.000 2.394 62 I HA 0.021 4.214 4.170 0.039 0.000 0.251 62 I C 2.485 178.495 176.117 -0.180 0.000 1.136 62 I CA 1.213 62.399 61.300 -0.190 0.000 1.425 62 I CB -0.315 37.604 38.000 -0.135 0.000 1.079 62 I HN 0.165 nan 8.210 nan 0.000 0.425 63 K N -0.056 120.270 120.400 -0.123 0.000 2.032 63 K HA -0.155 4.189 4.320 0.039 0.000 0.209 63 K C 2.029 178.527 176.600 -0.170 0.000 1.048 63 K CA 2.035 58.254 56.287 -0.113 0.000 0.927 63 K CB -0.189 32.269 32.500 -0.070 0.000 0.712 63 K HN 0.245 nan 8.250 nan 0.000 0.441 64 V N 1.897 121.647 119.914 -0.273 0.000 2.332 64 V HA -0.266 3.878 4.120 0.039 0.000 0.248 64 V C 2.373 178.304 176.094 -0.272 0.000 1.055 64 V CA 1.657 63.752 62.300 -0.341 0.000 1.038 64 V CB -0.346 31.096 31.823 -0.636 0.000 0.651 64 V HN 0.340 nan 8.190 nan 0.000 0.450 65 L N -0.668 120.378 121.223 -0.295 0.000 2.056 65 L HA -0.184 4.179 4.340 0.039 0.000 0.207 65 L C 2.566 179.447 176.870 0.017 0.000 1.078 65 L CA 1.724 56.507 54.840 -0.094 0.000 0.749 65 L CB -0.545 41.397 42.059 -0.195 0.000 0.901 65 L HN 0.281 nan 8.230 nan 0.000 0.433 66 K N -0.436 119.923 120.400 -0.069 0.000 2.155 66 K HA -0.118 4.226 4.320 0.039 0.000 0.203 66 K C 1.619 178.189 176.600 -0.050 0.000 1.052 66 K CA 0.898 57.161 56.287 -0.040 0.000 0.948 66 K CB -0.059 32.402 32.500 -0.065 0.000 0.728 66 K HN 0.231 nan 8.250 nan 0.000 0.448 67 D N 0.946 121.296 120.400 -0.084 0.000 2.178 67 D HA -0.163 4.500 4.640 0.039 0.000 0.201 67 D C 1.727 177.955 176.300 -0.121 0.000 0.980 67 D CA 1.319 55.263 54.000 -0.093 0.000 0.842 67 D CB 0.171 40.909 40.800 -0.103 0.000 0.948 67 D HN 0.155 nan 8.370 nan 0.000 0.472 68 K N -1.412 118.889 120.400 -0.164 0.000 2.308 68 K HA 0.001 4.344 4.320 0.039 0.000 0.197 68 K C -0.189 176.097 176.600 -0.523 0.000 1.049 68 K CA 0.249 56.322 56.287 -0.357 0.000 0.991 68 K CB 0.436 32.657 32.500 -0.464 0.000 0.836 68 K HN -0.024 nan 8.250 nan 0.000 0.500 69 Y N -0.699 119.565 120.300 -0.061 0.000 2.524 69 Y HA 0.134 4.705 4.550 0.036 0.000 0.344 69 Y C 1.383 177.255 175.900 -0.045 0.000 1.012 69 Y CA -0.687 57.386 58.100 -0.045 0.000 1.068 69 Y CB 1.956 40.391 38.460 -0.043 0.000 1.249 69 Y HN -0.017 nan 8.280 nan 0.000 0.468 70 T N -2.919 111.712 114.554 0.129 0.000 3.014 70 T HA 0.091 4.465 4.350 0.039 0.000 0.263 70 T C 0.270 174.993 174.700 0.038 0.000 1.078 70 T CA 0.846 62.977 62.100 0.052 0.000 1.135 70 T CB -0.224 68.665 68.868 0.035 0.000 0.895 70 T HN 0.495 nan 8.240 nan 0.000 0.480 71 S N -0.040 115.690 115.700 0.050 0.000 2.546 71 S HA 0.692 5.185 4.470 0.039 0.000 0.272 71 S C -1.287 173.313 174.600 -0.000 0.000 1.140 71 S CA -0.910 57.297 58.200 0.011 0.000 0.920 71 S CB 2.220 65.418 63.200 -0.003 0.000 1.083 71 S HN 0.167 nan 8.310 nan 0.000 0.476 72 V N 3.500 123.397 119.914 -0.029 0.000 2.487 72 V HA 0.561 4.704 4.120 0.039 0.000 0.298 72 V C -0.941 175.112 176.094 -0.068 0.000 1.028 72 V CA -0.696 61.566 62.300 -0.064 0.000 0.860 72 V CB 1.481 33.262 31.823 -0.071 0.000 0.991 72 V HN 0.877 nan 8.190 nan 0.000 0.427 73 I N 5.565 126.096 120.570 -0.065 0.000 2.418 73 I HA 0.415 4.608 4.170 0.039 0.000 0.287 73 I C -0.290 175.809 176.117 -0.031 0.000 1.008 73 I CA -0.614 60.655 61.300 -0.052 0.000 1.104 73 I CB 1.939 39.911 38.000 -0.047 0.000 1.264 73 I HN 0.398 nan 8.210 nan 0.000 0.438 74 I N 6.729 127.288 120.570 -0.018 0.000 2.347 74 I HA 0.151 4.345 4.170 0.039 0.000 0.294 74 I C 1.536 177.669 176.117 0.027 0.000 1.090 74 I CA -0.182 61.144 61.300 0.042 0.000 1.314 74 I CB 0.488 38.535 38.000 0.079 0.000 1.423 74 I HN 0.465 nan 8.210 nan 0.000 0.503 75 K N 4.462 124.869 120.400 0.012 0.000 2.155 75 K HA 0.001 4.344 4.320 0.039 0.000 0.203 75 K C 0.529 177.126 176.600 -0.004 0.000 1.052 75 K CA 0.807 57.081 56.287 -0.020 0.000 0.948 75 K CB 0.109 32.569 32.500 -0.066 0.000 0.728 75 K HN 0.878 nan 8.250 nan 0.000 0.448 76 C N -2.081 117.234 119.300 0.025 0.000 3.253 76 C HA 0.594 5.078 4.460 0.039 0.000 0.342 76 C C -1.070 173.955 174.990 0.059 0.000 1.306 76 C CA -1.606 57.432 59.018 0.033 0.000 1.207 76 C CB 0.631 28.368 27.740 -0.006 0.000 1.479 76 C HN 0.101 nan 8.230 nan 0.000 0.469 77 I N 1.547 122.151 120.570 0.056 0.000 2.465 77 I HA 0.673 4.867 4.170 0.039 0.000 0.291 77 I C 0.579 176.700 176.117 0.008 0.000 1.014 77 I CA -0.253 61.069 61.300 0.037 0.000 1.093 77 I CB 2.078 40.103 38.000 0.041 0.000 1.267 77 I HN 1.084 nan 8.210 nan 0.000 0.431 78 G N 6.455 115.246 108.800 -0.014 0.000 2.416 78 G HA2 0.805 4.789 3.960 0.039 0.000 0.329 78 G HA3 0.805 4.789 3.960 0.039 0.000 0.329 78 G C -0.953 173.905 174.900 -0.069 0.000 1.173 78 G CA -0.449 44.623 45.100 -0.048 0.000 0.929 78 G HN 0.461 nan 8.290 nan 0.000 0.475 79 I N 0.808 121.306 120.570 -0.120 0.000 2.465 79 I HA 0.525 4.718 4.170 0.039 0.000 0.291 79 I C -0.056 175.992 176.117 -0.114 0.000 1.014 79 I CA -0.563 60.666 61.300 -0.117 0.000 1.093 79 I CB 2.703 40.610 38.000 -0.154 0.000 1.267 79 I HN 0.497 nan 8.210 nan 0.000 0.431 80 T N 5.406 119.919 114.554 -0.069 0.000 2.883 80 T HA 0.580 4.953 4.350 0.039 0.000 0.301 80 T C -1.776 172.904 174.700 -0.033 0.000 1.158 80 T CA -0.669 61.395 62.100 -0.060 0.000 1.007 80 T CB 1.556 70.391 68.868 -0.054 0.000 1.186 80 T HN 0.850 nan 8.240 nan 0.000 0.499 81 N N 1.694 120.371 118.700 -0.038 0.000 2.598 81 N HA 0.198 4.961 4.740 0.039 0.000 0.263 81 N C -1.306 174.184 175.510 -0.032 0.000 1.254 81 N CA -0.861 52.183 53.050 -0.010 0.000 0.863 81 N CB 1.481 39.968 38.487 0.000 0.000 1.586 81 N HN 0.823 nan 8.380 nan 0.000 0.491 82 Q N 0.943 120.758 119.800 0.024 0.000 2.269 82 Q HA 0.136 4.500 4.340 0.039 0.000 0.300 82 Q C -0.390 175.586 176.000 -0.040 0.000 1.070 82 Q CA 0.214 56.024 55.803 0.011 0.000 0.957 82 Q CB 0.616 29.506 28.738 0.254 0.000 1.131 82 Q HN 0.403 nan 8.270 nan 0.000 0.377 83 R N 2.012 122.385 120.500 -0.212 0.000 2.580 83 R HA 0.142 4.505 4.340 0.039 0.000 0.267 83 R C 0.086 176.296 176.300 -0.151 0.000 1.125 83 R CA -0.331 55.631 56.100 -0.229 0.000 1.188 83 R CB 0.379 30.463 30.300 -0.360 0.000 1.155 83 R HN 0.892 nan 8.270 nan 0.000 0.586 84 E N -1.616 118.460 120.200 -0.206 0.000 5.171 84 E HA -0.238 4.135 4.350 0.039 0.000 0.184 84 E C -0.418 176.172 176.600 -0.017 0.000 1.101 84 E CA 2.190 58.481 56.400 -0.181 0.000 2.026 84 E CB -1.478 28.081 29.700 -0.235 0.000 1.810 84 E HN 0.679 nan 8.360 nan 0.000 0.414 85 T N 1.239 115.849 114.554 0.094 0.000 2.891 85 T HA 0.255 4.628 4.350 0.039 0.000 0.296 85 T C -0.002 174.719 174.700 0.035 0.000 1.025 85 T CA 0.676 62.831 62.100 0.091 0.000 1.149 85 T CB 0.849 69.817 68.868 0.167 0.000 1.007 85 T HN 0.163 nan 8.240 nan 0.000 0.528 86 V N 5.222 125.138 119.914 0.003 0.000 2.735 86 V HA 0.731 4.875 4.120 0.039 0.000 0.310 86 V C -0.977 175.109 176.094 -0.012 0.000 1.061 86 V CA -0.878 61.419 62.300 -0.005 0.000 0.913 86 V CB 1.673 33.469 31.823 -0.044 0.000 1.005 86 V HN 0.812 nan 8.190 nan 0.000 0.428 87 I N 6.464 127.051 120.570 0.028 0.000 2.582 87 I HA 0.548 4.742 4.170 0.039 0.000 0.292 87 I C -0.857 175.351 176.117 0.151 0.000 1.066 87 I CA -0.479 60.831 61.300 0.016 0.000 1.053 87 I CB 2.230 40.083 38.000 -0.246 0.000 1.241 87 I HN 0.398 nan 8.210 nan 0.000 0.421 88 I N 4.763 125.390 120.570 0.095 0.000 2.406 88 I HA 0.466 4.659 4.170 0.039 0.000 0.290 88 I C -1.185 175.022 176.117 0.150 0.000 0.999 88 I CA -0.463 60.831 61.300 -0.010 0.000 1.124 88 I CB 1.377 39.332 38.000 -0.074 0.000 1.289 88 I HN 0.667 nan 8.210 nan 0.000 0.441 89 W N 4.155 125.384 121.300 -0.119 0.000 3.029 89 W HA 0.595 5.285 4.660 0.050 0.000 0.339 89 W C -1.214 175.267 176.519 -0.062 0.000 1.198 89 W CA -1.073 56.225 57.345 -0.078 0.000 1.148 89 W CB 0.398 29.832 29.460 -0.043 0.000 1.451 89 W HN 0.337 nan 8.180 nan 0.000 0.564 90 D N 1.193 121.753 120.400 0.267 0.000 2.389 90 D HA 0.121 4.784 4.640 0.039 0.000 0.247 90 D C 1.386 177.829 176.300 0.238 0.000 1.128 90 D CA 0.001 54.099 54.000 0.163 0.000 0.884 90 D CB 1.368 42.275 40.800 0.177 0.000 1.194 90 D HN 0.555 nan 8.370 nan 0.000 0.441 91 R N 3.089 123.662 120.500 0.121 0.000 2.092 91 R HA -0.063 4.301 4.340 0.039 0.000 0.231 91 R C 1.751 178.276 176.300 0.376 0.000 1.119 91 R CA 1.114 57.345 56.100 0.219 0.000 0.970 91 R CB -0.051 30.309 30.300 0.099 0.000 0.864 91 R HN 0.636 nan 8.270 nan 0.000 0.440 92 I N -0.309 120.409 120.570 0.246 0.000 2.235 92 I HA -0.206 3.988 4.170 0.039 0.000 0.241 92 I C 2.378 178.643 176.117 0.246 0.000 1.085 92 I CA 1.690 63.117 61.300 0.213 0.000 1.378 92 I CB -0.319 37.758 38.000 0.129 0.000 1.076 92 I HN 0.341 nan 8.210 nan 0.000 0.415 93 T N -2.118 112.582 114.554 0.243 0.000 3.054 93 T HA 0.162 4.535 4.350 0.039 0.000 0.259 93 T C 1.681 176.559 174.700 0.297 0.000 1.092 93 T CA 0.644 62.878 62.100 0.222 0.000 1.121 93 T CB 0.222 69.193 68.868 0.172 0.000 0.912 93 T HN 0.538 nan 8.240 nan 0.000 0.489 94 G N 1.596 110.655 108.800 0.431 0.000 2.162 94 G HA2 -0.311 3.673 3.960 0.039 0.000 0.260 94 G HA3 -0.311 3.673 3.960 0.039 0.000 0.260 94 G C -0.003 175.099 174.900 0.335 0.000 0.976 94 G CA 0.404 45.770 45.100 0.444 0.000 0.655 94 G HN 0.862 nan 8.290 nan 0.000 0.533 95 K N 1.399 121.976 120.400 0.294 0.000 2.379 95 K HA 0.381 4.724 4.320 0.039 0.000 0.284 95 K C -2.093 174.655 176.600 0.247 0.000 1.044 95 K CA -1.569 54.860 56.287 0.236 0.000 0.974 95 K CB 0.704 33.306 32.500 0.171 0.000 0.962 95 K HN 0.057 nan 8.250 nan 0.000 0.474 96 P HA -0.016 nan 4.420 nan 0.000 0.271 96 P C 0.062 177.422 177.300 0.100 0.000 1.216 96 P CA 0.117 63.266 63.100 0.080 0.000 0.776 96 P CB 0.559 32.193 31.700 -0.111 0.000 0.881 97 L N 1.290 122.585 121.223 0.121 0.000 2.554 97 L HA 0.165 4.528 4.340 0.039 0.000 0.226 97 L C 0.366 177.355 176.870 0.200 0.000 1.137 97 L CA 0.726 55.643 54.840 0.129 0.000 0.863 97 L CB -0.346 41.776 42.059 0.104 0.000 0.985 97 L HN 0.433 nan 8.230 nan 0.000 0.451 98 Y N -1.094 119.211 120.300 0.008 0.000 2.732 98 Y HA 0.197 4.772 4.550 0.042 0.000 0.342 98 Y C -0.422 175.456 175.900 -0.036 0.000 1.203 98 Y CA -1.472 56.634 58.100 0.011 0.000 1.092 98 Y CB 0.856 39.334 38.460 0.031 0.000 1.345 98 Y HN -0.087 nan 8.280 nan 0.000 0.458 99 N N 1.364 119.832 118.700 -0.386 0.000 2.307 99 N HA 0.373 5.137 4.740 0.039 0.000 0.230 99 N C -0.701 174.807 175.510 -0.005 0.000 1.297 99 N CA 0.395 53.328 53.050 -0.194 0.000 0.884 99 N CB 0.384 38.724 38.487 -0.245 0.000 1.115 99 N HN 0.668 nan 8.380 nan 0.000 0.436 100 A N 1.324 124.105 122.820 -0.065 0.000 2.488 100 A HA 0.215 4.558 4.320 0.039 0.000 0.249 100 A C 0.028 177.604 177.584 -0.014 0.000 1.083 100 A CA 0.007 52.014 52.037 -0.049 0.000 0.768 100 A CB -0.195 18.776 19.000 -0.049 0.000 1.017 100 A HN 0.530 nan 8.150 nan 0.000 0.496 101 I N 3.673 124.229 120.570 -0.022 0.000 2.312 101 I HA 0.198 4.391 4.170 0.039 0.000 0.290 101 I C -0.092 175.967 176.117 -0.098 0.000 1.008 101 I CA -0.528 60.722 61.300 -0.082 0.000 1.226 101 I CB 1.269 39.179 38.000 -0.150 0.000 1.371 101 I HN 0.325 nan 8.210 nan 0.000 0.468 102 V N 6.393 126.208 119.914 -0.165 0.000 3.003 102 V HA 0.008 4.152 4.120 0.039 0.000 0.305 102 V C 1.254 177.260 176.094 -0.147 0.000 1.078 102 V CA -0.362 61.786 62.300 -0.252 0.000 1.083 102 V CB 1.092 32.552 31.823 -0.606 0.000 1.039 102 V HN 0.945 nan 8.190 nan 0.000 0.481 103 W N 2.148 123.412 121.300 -0.060 0.000 2.308 103 W HA -0.200 4.482 4.660 0.036 0.000 0.301 103 W C 1.234 177.868 176.519 0.192 0.000 1.220 103 W CA 1.044 58.450 57.345 0.103 0.000 1.240 103 W CB -0.859 28.719 29.460 0.196 0.000 1.142 103 W HN 0.468 nan 8.180 nan 0.000 0.521 104 L N 1.134 121.976 121.223 -0.634 0.000 2.465 104 L HA -0.023 4.341 4.340 0.039 0.000 0.224 104 L C 1.410 178.180 176.870 -0.167 0.000 1.145 104 L CA 0.745 55.225 54.840 -0.599 0.000 0.834 104 L CB -0.830 40.433 42.059 -1.327 0.000 0.944 104 L HN -0.117 nan 8.230 nan 0.000 0.451 105 D N 0.222 120.556 120.400 -0.110 0.000 2.399 105 D HA -0.035 4.629 4.640 0.039 0.000 0.241 105 D C 0.554 176.873 176.300 0.033 0.000 1.133 105 D CA 0.680 54.670 54.000 -0.015 0.000 0.890 105 D CB 1.390 42.117 40.800 -0.121 0.000 1.201 105 D HN 0.071 nan 8.370 nan 0.000 0.432 106 T N -0.094 114.479 114.554 0.033 0.000 3.275 106 T HA 0.098 4.471 4.350 0.039 0.000 0.298 106 T C 1.476 176.181 174.700 0.009 0.000 0.988 106 T CA -0.570 61.566 62.100 0.060 0.000 0.936 106 T CB -0.033 68.905 68.868 0.118 0.000 1.159 106 T HN 0.571 nan 8.240 nan 0.000 0.519 107 R N 1.616 122.042 120.500 -0.123 0.000 2.200 107 R HA -0.043 4.321 4.340 0.039 0.000 0.234 107 R C 1.793 178.032 176.300 -0.103 0.000 1.127 107 R CA 1.708 57.714 56.100 -0.157 0.000 0.989 107 R CB -1.102 28.803 30.300 -0.658 0.000 0.869 107 R HN 0.466 nan 8.270 nan 0.000 0.459 108 V N -1.102 118.739 119.914 -0.121 0.000 3.510 108 V HA -0.025 4.118 4.120 0.039 0.000 0.270 108 V C 1.980 178.065 176.094 -0.014 0.000 1.201 108 V CA 1.316 63.609 62.300 -0.012 0.000 1.166 108 V CB -0.304 31.523 31.823 0.005 0.000 0.825 108 V HN 0.434 nan 8.190 nan 0.000 0.484 109 E N 1.483 121.692 120.200 0.015 0.000 2.086 109 E HA -0.378 3.996 4.350 0.039 0.000 0.200 109 E C 2.145 178.766 176.600 0.035 0.000 1.012 109 E CA 2.326 58.742 56.400 0.025 0.000 0.812 109 E CB -0.210 29.530 29.700 0.067 0.000 0.743 109 E HN 0.870 nan 8.360 nan 0.000 0.453 110 E N 0.133 120.384 120.200 0.085 0.000 2.077 110 E HA -0.195 4.178 4.350 0.039 0.000 0.193 110 E C 2.363 179.039 176.600 0.128 0.000 0.989 110 E CA 1.036 57.502 56.400 0.110 0.000 0.800 110 E CB -0.120 29.664 29.700 0.140 0.000 0.746 110 E HN 0.356 nan 8.360 nan 0.000 0.452 111 L N 0.232 121.537 121.223 0.137 0.000 2.046 111 L HA -0.190 4.173 4.340 0.039 0.000 0.208 111 L C 2.528 179.460 176.870 0.104 0.000 1.077 111 L CA 0.846 55.804 54.840 0.196 0.000 0.747 111 L CB -0.282 41.910 42.059 0.222 0.000 0.896 111 L HN 0.137 nan 8.230 nan 0.000 0.432 112 V N -0.689 119.074 119.914 -0.252 0.000 2.343 112 V HA -0.292 3.852 4.120 0.039 0.000 0.247 112 V C 2.531 178.609 176.094 -0.026 0.000 1.051 112 V CA 2.325 64.325 62.300 -0.501 0.000 1.036 112 V CB -0.762 30.695 31.823 -0.610 0.000 0.654 112 V HN 0.493 nan 8.190 nan 0.000 0.451 113 T N -0.420 114.162 114.554 0.046 0.000 2.684 113 T HA -0.271 4.103 4.350 0.039 0.000 0.267 113 T C 1.865 176.674 174.700 0.182 0.000 1.036 113 T CA 1.946 64.114 62.100 0.114 0.000 1.148 113 T CB -0.257 68.668 68.868 0.095 0.000 0.863 113 T HN 0.679 nan 8.240 nan 0.000 0.436 114 E N -0.031 120.304 120.200 0.225 0.000 2.038 114 E HA -0.156 4.218 4.350 0.039 0.000 0.195 114 E C 1.901 178.696 176.600 0.324 0.000 1.000 114 E CA 1.227 57.779 56.400 0.254 0.000 0.803 114 E CB -0.217 29.653 29.700 0.283 0.000 0.750 114 E HN 0.454 nan 8.360 nan 0.000 0.448 115 F N 1.087 121.176 119.950 0.233 0.000 2.186 115 F HA -0.074 4.478 4.527 0.040 0.000 0.299 115 F C 2.773 178.895 175.800 0.537 0.000 1.090 115 F CA 1.098 59.319 58.000 0.369 0.000 1.307 115 F CB -0.397 38.779 39.000 0.294 0.000 1.019 115 F HN 0.008 nan 8.300 nan 0.000 0.489 116 S N -0.208 115.866 115.700 0.623 0.000 2.399 116 S HA -0.148 4.345 4.470 0.039 0.000 0.231 116 S C 2.246 177.011 174.600 0.274 0.000 1.022 116 S CA 0.962 59.465 58.200 0.506 0.000 0.983 116 S CB -0.585 62.810 63.200 0.325 0.000 0.803 116 S HN 0.342 nan 8.310 nan 0.000 0.480 117 A N 0.999 123.940 122.820 0.202 0.000 2.168 117 A HA 0.040 4.383 4.320 0.039 0.000 0.215 117 A C 1.822 179.426 177.584 0.034 0.000 1.152 117 A CA 0.849 52.939 52.037 0.088 0.000 0.716 117 A CB -0.135 18.906 19.000 0.068 0.000 0.794 117 A HN 0.430 nan 8.150 nan 0.000 0.465 118 K N -2.056 118.377 120.400 0.055 0.000 2.355 118 K HA 0.222 4.565 4.320 0.039 0.000 0.198 118 K C -0.965 175.411 176.600 -0.372 0.000 1.039 118 K CA 0.113 56.307 56.287 -0.154 0.000 1.075 118 K CB 0.473 32.828 32.500 -0.242 0.000 0.870 118 K HN 0.499 nan 8.250 nan 0.000 0.540 119 Y N 0.329 120.637 120.300 0.014 0.000 2.499 119 Y HA 0.226 4.800 4.550 0.040 0.000 0.347 119 Y C -0.040 175.770 175.900 -0.149 0.000 0.987 119 Y CA -1.601 56.465 58.100 -0.056 0.000 1.044 119 Y CB 1.184 39.627 38.460 -0.028 0.000 1.245 119 Y HN -0.139 nan 8.280 nan 0.000 0.461 120 N N 2.253 120.926 118.700 -0.045 0.000 2.420 120 N HA -0.004 4.759 4.740 0.039 0.000 0.262 120 N C 0.427 175.796 175.510 -0.235 0.000 1.144 120 N CA 0.360 53.331 53.050 -0.132 0.000 0.952 120 N CB 0.461 38.886 38.487 -0.104 0.000 1.081 120 N HN 0.700 nan 8.380 nan 0.000 0.480 121 N N 3.369 121.835 118.700 -0.390 0.000 2.364 121 N HA -0.100 4.663 4.740 0.039 0.000 0.183 121 N C 0.771 176.011 175.510 -0.450 0.000 1.022 121 N CA 0.514 53.173 53.050 -0.651 0.000 0.883 121 N CB 0.065 37.764 38.487 -1.313 0.000 0.965 121 N HN 0.601 nan 8.380 nan 0.000 0.438 122 N N 1.177 119.709 118.700 -0.281 0.000 2.149 122 N HA -0.129 4.634 4.740 0.039 0.000 0.188 122 N C 0.792 176.217 175.510 -0.141 0.000 1.019 122 N CA 0.997 53.967 53.050 -0.134 0.000 0.857 122 N CB -0.120 38.304 38.487 -0.106 0.000 0.997 122 N HN 0.296 nan 8.380 nan 0.000 0.426 123 D N 1.105 121.422 120.400 -0.139 0.000 2.117 123 D HA -0.044 4.620 4.640 0.039 0.000 0.198 123 D C 2.071 178.313 176.300 -0.097 0.000 0.982 123 D CA 0.413 54.352 54.000 -0.102 0.000 0.828 123 D CB -0.103 40.660 40.800 -0.061 0.000 0.967 123 D HN 0.170 nan 8.370 nan 0.000 0.464 124 I N 0.984 121.461 120.570 -0.155 0.000 2.315 124 I HA -0.198 3.995 4.170 0.039 0.000 0.248 124 I C 2.410 178.510 176.117 -0.029 0.000 1.117 124 I CA 0.992 62.206 61.300 -0.142 0.000 1.404 124 I CB -1.072 36.683 38.000 -0.409 0.000 1.071 124 I HN 0.117 nan 8.210 nan 0.000 0.419 125 Q N 1.316 121.110 119.800 -0.009 0.000 2.079 125 Q HA -0.236 4.128 4.340 0.039 0.000 0.200 125 Q C 2.327 178.314 176.000 -0.023 0.000 0.974 125 Q CA 1.622 57.464 55.803 0.066 0.000 0.840 125 Q CB 0.028 28.852 28.738 0.144 0.000 0.898 125 Q HN 0.402 nan 8.270 nan 0.000 0.430 126 K N 0.304 120.579 120.400 -0.208 0.000 2.103 126 K HA -0.238 4.105 4.320 0.039 0.000 0.207 126 K C 2.074 178.674 176.600 0.000 0.000 1.048 126 K CA 1.666 57.740 56.287 -0.354 0.000 0.930 126 K CB -0.023 32.278 32.500 -0.332 0.000 0.716 126 K HN -0.070 nan 8.250 nan 0.000 0.444 127 K N 0.329 120.747 120.400 0.030 0.000 2.031 127 K HA -0.076 4.268 4.320 0.039 0.000 0.205 127 K C 1.853 178.539 176.600 0.143 0.000 1.049 127 K CA 2.239 58.579 56.287 0.088 0.000 0.939 127 K CB -0.329 32.215 32.500 0.073 0.000 0.717 127 K HN 0.351 nan 8.250 nan 0.000 0.438 128 T N -4.958 109.690 114.554 0.157 0.000 2.971 128 T HA 0.310 4.684 4.350 0.039 0.000 0.252 128 T C 1.336 176.158 174.700 0.204 0.000 1.022 128 T CA 0.473 62.685 62.100 0.185 0.000 0.980 128 T CB 0.545 69.536 68.868 0.205 0.000 1.044 128 T HN 0.349 nan 8.240 nan 0.000 0.501 129 G N 0.296 109.228 108.800 0.221 0.000 2.194 129 G HA2 -0.151 3.832 3.960 0.039 0.000 0.236 129 G HA3 -0.151 3.832 3.960 0.039 0.000 0.236 129 G C 0.163 175.120 174.900 0.094 0.000 0.987 129 G CA 0.301 45.524 45.100 0.205 0.000 0.635 129 G HN 1.003 nan 8.290 nan 0.000 0.520 130 T N -0.968 113.602 114.554 0.027 0.000 2.864 130 T HA 0.622 4.995 4.350 0.039 0.000 0.299 130 T C -0.790 173.909 174.700 -0.002 0.000 1.166 130 T CA -0.594 61.415 62.100 -0.152 0.000 1.007 130 T CB 1.142 69.702 68.868 -0.514 0.000 1.219 130 T HN 0.243 nan 8.240 nan 0.000 0.506 131 Y N 1.301 121.426 120.300 -0.293 0.000 2.298 131 Y HA 0.471 5.044 4.550 0.039 0.000 0.329 131 Y C 0.884 176.718 175.900 -0.109 0.000 1.293 131 Y CA -1.650 56.307 58.100 -0.237 0.000 1.388 131 Y CB 0.065 38.376 38.460 -0.249 0.000 1.309 131 Y HN 0.474 nan 8.280 nan 0.000 0.544 132 F N 2.233 122.247 119.950 0.106 0.000 2.629 132 F HA 0.022 4.572 4.527 0.039 0.000 0.377 132 F C 0.515 176.295 175.800 -0.034 0.000 1.101 132 F CA -0.097 58.006 58.000 0.171 0.000 1.301 132 F CB -0.699 38.474 39.000 0.287 0.000 1.062 132 F HN 0.569 nan 8.300 nan 0.000 0.583 133 N N -1.836 116.920 118.700 0.093 0.000 2.934 133 N HA 0.259 5.023 4.740 0.039 0.000 0.253 133 N C -0.035 175.461 175.510 -0.023 0.000 1.466 133 N CA -0.300 52.735 53.050 -0.026 0.000 0.858 133 N CB 0.551 38.912 38.487 -0.210 0.000 1.459 133 N HN 0.237 nan 8.380 nan 0.000 0.532 134 T N -4.488 110.122 114.554 0.093 0.000 3.148 134 T HA -0.016 4.358 4.350 0.039 0.000 0.253 134 T C 0.697 175.555 174.700 0.263 0.000 1.134 134 T CA 0.620 62.792 62.100 0.120 0.000 1.051 134 T CB -0.500 68.471 68.868 0.171 0.000 0.959 134 T HN 0.505 nan 8.240 nan 0.000 0.525 135 Y N 0.899 121.281 120.300 0.138 0.000 2.353 135 Y HA 0.440 5.013 4.550 0.038 0.000 0.294 135 Y C 0.406 176.517 175.900 0.351 0.000 1.135 135 Y CA -1.614 56.603 58.100 0.195 0.000 1.176 135 Y CB -0.179 38.258 38.460 -0.039 0.000 1.124 135 Y HN 0.102 nan 8.280 nan 0.000 0.537 136 F N 0.900 120.789 119.950 -0.102 0.000 2.480 136 F HA 0.106 4.657 4.527 0.040 0.000 0.319 136 F C 2.062 177.789 175.800 -0.121 0.000 1.230 136 F CA 0.325 58.206 58.000 -0.199 0.000 1.285 136 F CB 0.031 38.940 39.000 -0.151 0.000 1.208 136 F HN -0.117 nan 8.300 nan 0.000 0.579 137 S N 0.584 116.254 115.700 -0.050 0.000 2.383 137 S HA -0.112 4.381 4.470 0.039 0.000 0.227 137 S C 2.192 176.676 174.600 -0.194 0.000 1.026 137 S CA 0.881 59.016 58.200 -0.108 0.000 0.981 137 S CB -0.466 62.653 63.200 -0.135 0.000 0.818 137 S HN 0.671 nan 8.310 nan 0.000 0.472 138 A N 1.305 123.910 122.820 -0.358 0.000 1.892 138 A HA -0.113 4.230 4.320 0.039 0.000 0.218 138 A C 1.838 178.912 177.584 -0.849 0.000 1.188 138 A CA 1.566 53.081 52.037 -0.870 0.000 0.631 138 A CB -1.041 16.854 19.000 -1.843 0.000 0.822 138 A HN 0.467 nan 8.150 nan 0.000 0.447 139 F N -0.025 119.597 119.950 -0.545 0.000 2.216 139 F HA -0.128 4.422 4.527 0.038 0.000 0.300 139 F C 2.255 177.959 175.800 -0.160 0.000 1.085 139 F CA 1.856 59.684 58.000 -0.286 0.000 1.326 139 F CB -0.169 38.721 39.000 -0.182 0.000 1.027 139 F HN 0.120 nan 8.300 nan 0.000 0.497 140 K N 0.321 120.718 120.400 -0.004 0.000 2.057 140 K HA -0.118 4.225 4.320 0.039 0.000 0.207 140 K C 1.942 178.522 176.600 -0.034 0.000 1.049 140 K CA 1.325 57.587 56.287 -0.042 0.000 0.931 140 K CB -0.355 32.092 32.500 -0.089 0.000 0.714 140 K HN 0.211 nan 8.250 nan 0.000 0.440 141 I N 0.394 120.894 120.570 -0.117 0.000 2.179 141 I HA -0.261 3.933 4.170 0.039 0.000 0.242 141 I C 2.117 178.179 176.117 -0.091 0.000 1.088 141 I CA 0.670 61.893 61.300 -0.129 0.000 1.357 141 I CB -0.212 37.666 38.000 -0.203 0.000 1.051 141 I HN 0.105 nan 8.210 nan 0.000 0.409 142 L N 0.179 121.339 121.223 -0.104 0.000 2.046 142 L HA -0.229 4.134 4.340 0.039 0.000 0.208 142 L C 2.227 179.092 176.870 -0.007 0.000 1.077 142 L CA 1.849 56.651 54.840 -0.063 0.000 0.747 142 L CB -0.882 41.108 42.059 -0.115 0.000 0.896 142 L HN 0.361 nan 8.230 nan 0.000 0.432 143 W N -0.202 121.020 121.300 -0.129 0.000 2.358 143 W HA -0.227 4.457 4.660 0.039 0.000 0.303 143 W C 2.285 178.698 176.519 -0.177 0.000 1.208 143 W CA 2.017 59.286 57.345 -0.127 0.000 1.274 143 W CB -0.170 29.198 29.460 -0.152 0.000 1.138 143 W HN 0.130 nan 8.180 nan 0.000 0.515 144 L N 0.088 121.380 121.223 0.116 0.000 2.046 144 L HA -0.256 4.107 4.340 0.039 0.000 0.208 144 L C 2.407 179.158 176.870 -0.198 0.000 1.077 144 L CA 1.448 56.230 54.840 -0.096 0.000 0.747 144 L CB -0.839 41.172 42.059 -0.080 0.000 0.896 144 L HN 0.029 nan 8.230 nan 0.000 0.432 145 I N -0.601 119.884 120.570 -0.143 0.000 2.208 145 I HA -0.338 3.855 4.170 0.039 0.000 0.245 145 I C 2.517 178.531 176.117 -0.171 0.000 1.097 145 I CA 1.466 62.686 61.300 -0.133 0.000 1.363 145 I CB -0.313 37.631 38.000 -0.093 0.000 1.051 145 I HN 0.380 nan 8.210 nan 0.000 0.413 146 Q N 0.071 119.736 119.800 -0.224 0.000 2.297 146 Q HA -0.068 4.296 4.340 0.039 0.000 0.204 146 Q C 1.363 177.160 176.000 -0.338 0.000 0.962 146 Q CA 0.855 56.514 55.803 -0.240 0.000 0.879 146 Q CB 0.045 28.644 28.738 -0.231 0.000 0.947 146 Q HN 0.563 nan 8.270 nan 0.000 0.462 147 N N 0.114 118.505 118.700 -0.515 0.000 2.197 147 N HA 0.012 4.776 4.740 0.039 0.000 0.201 147 N C -0.274 175.037 175.510 -0.332 0.000 1.148 147 N CA 0.143 52.856 53.050 -0.562 0.000 0.883 147 N CB 0.696 38.473 38.487 -1.183 0.000 1.012 147 N HN 0.056 nan 8.380 nan 0.000 0.507 148 N N 1.207 119.757 118.700 -0.250 0.000 2.648 148 N HA 0.234 4.997 4.740 0.039 0.000 0.261 148 N C -2.347 173.112 175.510 -0.085 0.000 1.138 148 N CA -1.485 51.491 53.050 -0.123 0.000 0.804 148 N CB 1.844 40.273 38.487 -0.097 0.000 1.237 148 N HN -0.194 nan 8.380 nan 0.000 0.532 149 P HA -0.122 nan 4.420 nan 0.000 0.218 149 P C 1.046 178.328 177.300 -0.030 0.000 1.148 149 P CA 1.007 64.079 63.100 -0.047 0.000 0.822 149 P CB 0.537 32.218 31.700 -0.032 0.000 0.784 150 E N -0.258 119.934 120.200 -0.013 0.000 2.110 150 E HA -0.157 4.216 4.350 0.039 0.000 0.193 150 E C 1.888 178.481 176.600 -0.013 0.000 0.988 150 E CA 0.892 57.291 56.400 -0.002 0.000 0.804 150 E CB -0.462 29.251 29.700 0.021 0.000 0.745 150 E HN 0.158 nan 8.360 nan 0.000 0.458 151 I N 0.963 121.520 120.570 -0.022 0.000 2.202 151 I HA -0.265 3.929 4.170 0.039 0.000 0.242 151 I C 2.728 178.809 176.117 -0.060 0.000 1.091 151 I CA 1.227 62.503 61.300 -0.041 0.000 1.368 151 I CB -0.308 37.662 38.000 -0.050 0.000 1.058 151 I HN 0.114 nan 8.210 nan 0.000 0.410 152 K N 0.968 121.329 120.400 -0.065 0.000 2.044 152 K HA -0.278 4.065 4.320 0.039 0.000 0.210 152 K C 2.142 178.711 176.600 -0.051 0.000 1.049 152 K CA 1.858 58.107 56.287 -0.063 0.000 0.927 152 K CB -0.089 32.373 32.500 -0.063 0.000 0.713 152 K HN 0.359 nan 8.250 nan 0.000 0.443 153 Q N 0.070 119.846 119.800 -0.040 0.000 2.084 153 Q HA -0.142 4.221 4.340 0.039 0.000 0.202 153 Q C 1.986 177.965 176.000 -0.034 0.000 0.978 153 Q CA 1.670 57.455 55.803 -0.031 0.000 0.844 153 Q CB 0.048 28.774 28.738 -0.020 0.000 0.898 153 Q HN 0.296 nan 8.270 nan 0.000 0.426 154 K N 0.197 120.574 120.400 -0.038 0.000 2.228 154 K HA -0.004 4.340 4.320 0.039 0.000 0.202 154 K C 1.957 178.516 176.600 -0.069 0.000 1.051 154 K CA 0.612 56.873 56.287 -0.043 0.000 0.960 154 K CB 0.122 32.601 32.500 -0.035 0.000 0.743 154 K HN 0.172 nan 8.250 nan 0.000 0.458 155 I N 1.571 122.092 120.570 -0.081 0.000 2.163 155 I HA -0.281 3.913 4.170 0.039 0.000 0.240 155 I C 1.579 177.649 176.117 -0.079 0.000 1.081 155 I CA 1.274 62.514 61.300 -0.100 0.000 1.353 155 I CB -0.267 37.668 38.000 -0.110 0.000 1.054 155 I HN 0.111 nan 8.210 nan 0.000 0.407 156 D N 0.950 121.314 120.400 -0.060 0.000 2.123 156 D HA -0.199 4.465 4.640 0.039 0.000 0.196 156 D C 1.505 177.781 176.300 -0.040 0.000 0.992 156 D CA 1.593 55.565 54.000 -0.046 0.000 0.833 156 D CB -0.475 40.304 40.800 -0.036 0.000 0.954 156 D HN 0.531 nan 8.370 nan 0.000 0.455 157 D N -1.154 119.224 120.400 -0.037 0.000 2.339 157 D HA 0.120 4.783 4.640 0.039 0.000 0.217 157 D C 1.417 177.697 176.300 -0.033 0.000 1.050 157 D CA 0.733 54.716 54.000 -0.028 0.000 0.856 157 D CB -0.169 40.620 40.800 -0.019 0.000 0.922 157 D HN 0.190 nan 8.370 nan 0.000 0.518 158 G N 0.237 109.007 108.800 -0.050 0.000 2.143 158 G HA2 -0.323 3.661 3.960 0.039 0.000 0.248 158 G HA3 -0.323 3.661 3.960 0.039 0.000 0.248 158 G C 0.970 175.838 174.900 -0.054 0.000 0.991 158 G CA 0.953 46.019 45.100 -0.057 0.000 0.689 158 G HN 0.643 nan 8.290 nan 0.000 0.522 159 T N -3.071 111.454 114.554 -0.049 0.000 3.060 159 T HA 0.686 5.059 4.350 0.039 0.000 0.249 159 T C 1.185 175.847 174.700 -0.062 0.000 1.079 159 T CA 1.332 63.413 62.100 -0.032 0.000 1.013 159 T CB 0.664 69.528 68.868 -0.007 0.000 0.975 159 T HN 1.575 nan 8.240 nan 0.000 0.518 160 A N 1.022 123.772 122.820 -0.117 0.000 2.264 160 A HA 0.746 5.089 4.320 0.039 0.000 0.304 160 A C -0.415 176.957 177.584 -0.353 0.000 1.100 160 A CA -0.661 51.251 52.037 -0.209 0.000 0.839 160 A CB 1.144 20.030 19.000 -0.190 0.000 1.121 160 A HN 0.313 nan 8.150 nan 0.000 0.496 161 V N 1.581 121.103 119.914 -0.653 0.000 2.540 161 V HA 0.381 4.525 4.120 0.039 0.000 0.302 161 V C -0.468 175.025 176.094 -1.001 0.000 1.035 161 V CA -0.185 61.563 62.300 -0.921 0.000 0.873 161 V CB 1.439 32.401 31.823 -1.435 0.000 0.992 161 V HN 0.684 nan 8.190 nan 0.000 0.428 162 I N 3.811 123.975 120.570 -0.677 0.000 2.321 162 I HA 0.741 4.934 4.170 0.039 0.000 0.291 162 I C 0.650 176.518 176.117 -0.416 0.000 0.998 162 I CA -0.023 60.983 61.300 -0.491 0.000 1.227 162 I CB 1.564 39.351 38.000 -0.355 0.000 1.368 162 I HN 0.758 nan 8.210 nan 0.000 0.466 163 G N 4.226 112.890 108.800 -0.227 0.000 2.667 163 G HA2 0.419 4.402 3.960 0.039 0.000 0.298 163 G HA3 0.419 4.402 3.960 0.039 0.000 0.298 163 G C -1.192 173.841 174.900 0.222 0.000 1.377 163 G CA -0.674 44.500 45.100 0.123 0.000 0.964 163 G HN 0.613 nan 8.290 nan 0.000 0.493 164 N N 0.144 118.957 118.700 0.187 0.000 2.327 164 N HA 0.208 4.971 4.740 0.039 0.000 0.257 164 N C 1.506 177.144 175.510 0.213 0.000 1.281 164 N CA -1.011 52.125 53.050 0.144 0.000 0.942 164 N CB 1.159 39.694 38.487 0.080 0.000 1.199 164 N HN 0.258 nan 8.380 nan 0.000 0.532 165 I N 1.087 121.748 120.570 0.151 0.000 2.226 165 I HA -0.261 3.933 4.170 0.039 0.000 0.245 165 I C 2.074 178.303 176.117 0.186 0.000 1.100 165 I CA 1.241 62.648 61.300 0.178 0.000 1.374 165 I CB -1.274 36.802 38.000 0.127 0.000 1.057 165 I HN 0.667 nan 8.210 nan 0.000 0.413 166 N N 0.857 119.629 118.700 0.120 0.000 2.069 166 N HA -0.201 4.562 4.740 0.039 0.000 0.191 166 N C 1.557 177.157 175.510 0.150 0.000 1.031 166 N CA 2.199 55.293 53.050 0.074 0.000 0.852 166 N CB -1.262 37.229 38.487 0.008 0.000 1.018 166 N HN 0.263 nan 8.380 nan 0.000 0.423 167 T N 0.386 115.098 114.554 0.263 0.000 2.746 167 T HA -0.144 4.229 4.350 0.039 0.000 0.267 167 T C 1.393 176.386 174.700 0.487 0.000 1.039 167 T CA 1.066 63.411 62.100 0.408 0.000 1.142 167 T CB -0.523 68.621 68.868 0.461 0.000 0.866 167 T HN 0.451 nan 8.240 nan 0.000 0.444 168 W N 1.383 122.774 121.300 0.152 0.000 2.335 168 W HA -0.164 4.516 4.660 0.033 0.000 0.311 168 W C 1.570 178.008 176.519 -0.136 0.000 1.213 168 W CA 0.570 57.758 57.345 -0.262 0.000 1.274 168 W CB -0.322 28.921 29.460 -0.363 0.000 1.148 168 W HN 0.164 nan 8.180 nan 0.000 0.498 169 L N 0.889 122.062 121.223 -0.082 0.000 2.046 169 L HA -0.199 4.164 4.340 0.039 0.000 0.208 169 L C 2.430 179.222 176.870 -0.131 0.000 1.077 169 L CA 1.684 56.392 54.840 -0.220 0.000 0.747 169 L CB -1.414 40.579 42.059 -0.110 0.000 0.896 169 L HN -0.032 nan 8.230 nan 0.000 0.432 170 I N -1.967 118.614 120.570 0.018 0.000 2.252 170 I HA -0.322 3.871 4.170 0.039 0.000 0.245 170 I C 2.392 178.566 176.117 0.095 0.000 1.102 170 I CA 1.079 62.433 61.300 0.089 0.000 1.385 170 I CB -0.316 37.804 38.000 0.200 0.000 1.064 170 I HN 0.154 nan 8.210 nan 0.000 0.414 171 F N 2.107 122.052 119.950 -0.008 0.000 2.095 171 F HA -0.297 4.251 4.527 0.036 0.000 0.298 171 F C 2.130 177.845 175.800 -0.141 0.000 1.104 171 F CA 2.217 60.214 58.000 -0.006 0.000 1.232 171 F CB -0.407 38.675 39.000 0.136 0.000 0.987 171 F HN 0.064 nan 8.300 nan 0.000 0.475 172 N N 0.191 118.800 118.700 -0.150 0.000 2.142 172 N HA -0.127 4.636 4.740 0.039 0.000 0.186 172 N C 1.864 177.316 175.510 -0.096 0.000 1.023 172 N CA 1.497 54.410 53.050 -0.229 0.000 0.852 172 N CB -0.295 37.904 38.487 -0.479 0.000 0.998 172 N HN 0.272 nan 8.380 nan 0.000 0.424 173 L N 0.006 121.188 121.223 -0.069 0.000 2.046 173 L HA -0.136 4.228 4.340 0.039 0.000 0.208 173 L C 2.198 179.055 176.870 -0.022 0.000 1.077 173 L CA 1.336 56.181 54.840 0.008 0.000 0.747 173 L CB -0.715 41.344 42.059 -0.000 0.000 0.896 173 L HN 0.423 nan 8.230 nan 0.000 0.432 174 T N -4.334 110.187 114.554 -0.055 0.000 3.129 174 T HA 0.046 4.420 4.350 0.039 0.000 0.251 174 T C 0.747 175.365 174.700 -0.138 0.000 1.117 174 T CA -0.308 61.758 62.100 -0.057 0.000 1.034 174 T CB -0.109 68.757 68.868 -0.004 0.000 0.968 174 T HN 0.234 nan 8.240 nan 0.000 0.526 175 K N 0.718 120.986 120.400 -0.219 0.000 3.150 175 K HA -0.164 4.180 4.320 0.039 0.000 0.267 175 K C 0.877 177.226 176.600 -0.419 0.000 1.028 175 K CA 0.326 56.436 56.287 -0.295 0.000 0.753 175 K CB -1.913 30.488 32.500 -0.165 0.000 1.288 175 K HN 0.827 nan 8.250 nan 0.000 0.473 176 G N -0.897 107.473 108.800 -0.717 0.000 2.485 176 G HA2 -0.192 3.791 3.960 0.039 0.000 0.181 176 G HA3 -0.192 3.791 3.960 0.039 0.000 0.181 176 G C -0.216 174.485 174.900 -0.331 0.000 0.999 176 G CA -0.347 44.272 45.100 -0.801 0.000 0.721 176 G HN 0.261 nan 8.290 nan 0.000 0.486 177 N N 0.229 118.811 118.700 -0.196 0.000 2.407 177 N HA 0.350 5.114 4.740 0.039 0.000 0.250 177 N C -0.093 175.411 175.510 -0.009 0.000 1.236 177 N CA 0.550 53.500 53.050 -0.167 0.000 0.879 177 N CB 0.894 39.293 38.487 -0.147 0.000 1.088 177 N HN 0.267 nan 8.380 nan 0.000 0.450 178 C N 3.417 122.609 119.300 -0.180 0.000 2.409 178 C HA 0.424 4.907 4.460 0.039 0.000 0.297 178 C C -0.842 174.100 174.990 -0.081 0.000 1.083 178 C CA -0.684 58.368 59.018 0.056 0.000 1.515 178 C CB -1.743 26.060 27.740 0.105 0.000 1.869 178 C HN 0.511 nan 8.230 nan 0.000 0.413 179 Y N 0.324 120.816 120.300 0.320 0.000 2.545 179 Y HA 0.773 5.346 4.550 0.038 0.000 0.348 179 Y C 0.498 176.590 175.900 0.320 0.000 1.002 179 Y CA -0.617 57.677 58.100 0.324 0.000 1.039 179 Y CB 1.887 40.604 38.460 0.427 0.000 1.271 179 Y HN 0.436 nan 8.280 nan 0.000 0.467 180 T N 0.555 115.409 114.554 0.500 0.000 2.742 180 T HA 0.456 4.830 4.350 0.039 0.000 0.282 180 T C -1.737 173.143 174.700 0.300 0.000 1.025 180 T CA -0.727 61.578 62.100 0.341 0.000 1.020 180 T CB 1.214 70.270 68.868 0.314 0.000 1.317 180 T HN 0.781 nan 8.240 nan 0.000 0.538 181 D N 0.442 120.939 120.400 0.162 0.000 2.423 181 D HA 0.295 4.958 4.640 0.039 0.000 0.235 181 D C 1.639 177.947 176.300 0.013 0.000 1.011 181 D CA -0.500 53.573 54.000 0.122 0.000 0.963 181 D CB 1.652 42.511 40.800 0.099 0.000 1.349 181 D HN 0.445 nan 8.370 nan 0.000 0.508 182 V N -1.028 118.877 119.914 -0.016 0.000 2.594 182 V HA -0.225 3.919 4.120 0.039 0.000 0.253 182 V C 2.296 178.338 176.094 -0.086 0.000 1.069 182 V CA 2.440 64.688 62.300 -0.087 0.000 1.082 182 V CB -1.787 29.983 31.823 -0.087 0.000 0.680 182 V HN 0.817 nan 8.190 nan 0.000 0.469 183 T N -1.950 112.572 114.554 -0.053 0.000 2.812 183 T HA -0.136 4.238 4.350 0.039 0.000 0.264 183 T C 1.903 176.545 174.700 -0.096 0.000 1.042 183 T CA 1.466 63.526 62.100 -0.066 0.000 1.140 183 T CB -0.724 68.120 68.868 -0.040 0.000 0.870 183 T HN 0.472 nan 8.240 nan 0.000 0.445 184 N N 2.020 120.674 118.700 -0.076 0.000 2.120 184 N HA 0.024 4.787 4.740 0.039 0.000 0.188 184 N C 2.315 177.781 175.510 -0.072 0.000 1.024 184 N CA 1.484 54.486 53.050 -0.082 0.000 0.852 184 N CB -0.581 37.892 38.487 -0.024 0.000 1.003 184 N HN 0.607 nan 8.380 nan 0.000 0.424 185 A N 0.977 123.763 122.820 -0.057 0.000 1.940 185 A HA -0.149 4.195 4.320 0.039 0.000 0.219 185 A C 2.298 179.828 177.584 -0.091 0.000 1.176 185 A CA 2.002 53.983 52.037 -0.094 0.000 0.631 185 A CB -0.707 18.031 19.000 -0.437 0.000 0.814 185 A HN 0.464 nan 8.150 nan 0.000 0.446 186 S N -0.948 114.686 115.700 -0.110 0.000 2.547 186 S HA -0.039 4.455 4.470 0.039 0.000 0.235 186 S C 1.339 175.858 174.600 -0.135 0.000 0.980 186 S CA 0.590 58.758 58.200 -0.054 0.000 0.941 186 S CB -0.183 63.001 63.200 -0.027 0.000 0.763 186 S HN 0.494 nan 8.310 nan 0.000 0.532 187 R N 1.314 121.591 120.500 -0.373 0.000 2.393 187 R HA 0.197 4.560 4.340 0.039 0.000 0.244 187 R C 1.731 177.501 176.300 -0.883 0.000 0.920 187 R CA 0.906 56.374 56.100 -1.053 0.000 1.076 187 R CB -0.995 28.794 30.300 -0.851 0.000 1.119 187 R HN 0.754 nan 8.270 nan 0.000 0.524 188 T N -2.523 111.873 114.554 -0.262 0.000 3.051 188 T HA 0.140 4.514 4.350 0.039 0.000 0.255 188 T C 1.283 176.013 174.700 0.050 0.000 1.085 188 T CA -0.021 62.045 62.100 -0.057 0.000 1.109 188 T CB 0.140 69.078 68.868 0.117 0.000 0.921 188 T HN 0.211 nan 8.240 nan 0.000 0.488 189 L N -0.680 120.696 121.223 0.255 0.000 4.696 189 L HA -0.160 4.204 4.340 0.039 0.000 0.425 189 L C 0.785 177.785 176.870 0.215 0.000 1.115 189 L CA 0.465 55.469 54.840 0.272 0.000 0.996 189 L CB -1.125 41.046 42.059 0.186 0.000 2.077 189 L HN 0.411 nan 8.230 nan 0.000 0.792 190 L N -1.757 119.603 121.223 0.228 0.000 2.701 190 L HA 0.246 4.610 4.340 0.039 0.000 0.238 190 L C 0.898 178.008 176.870 0.399 0.000 1.106 190 L CA -0.006 55.015 54.840 0.302 0.000 0.898 190 L CB 0.364 42.577 42.059 0.257 0.000 1.188 190 L HN 0.247 nan 8.230 nan 0.000 0.508 191 M N 0.850 120.629 119.600 0.299 0.000 2.318 191 M HA 0.209 4.712 4.480 0.039 0.000 0.347 191 M C -0.694 175.677 176.300 0.119 0.000 1.175 191 M CA -0.418 54.962 55.300 0.134 0.000 1.075 191 M CB 1.418 33.968 32.600 -0.084 0.000 1.614 191 M HN -0.124 nan 8.290 nan 0.000 0.456 192 D N 3.844 124.295 120.400 0.086 0.000 2.358 192 D HA 0.020 4.683 4.640 0.039 0.000 0.258 192 D C 0.667 177.016 176.300 0.081 0.000 1.223 192 D CA -0.017 54.037 54.000 0.090 0.000 0.886 192 D CB 0.780 41.626 40.800 0.077 0.000 1.120 192 D HN 0.627 nan 8.370 nan 0.000 0.482 193 I N 4.750 125.391 120.570 0.119 0.000 2.614 193 I HA -0.161 4.032 4.170 0.039 0.000 0.258 193 I C 1.546 177.769 176.117 0.176 0.000 1.189 193 I CA 0.939 62.328 61.300 0.149 0.000 1.462 193 I CB -0.192 37.904 38.000 0.160 0.000 1.092 193 I HN 0.397 nan 8.210 nan 0.000 0.442 194 N N -0.551 118.219 118.700 0.116 0.000 2.278 194 N HA -0.052 4.711 4.740 0.039 0.000 0.181 194 N C 1.788 177.355 175.510 0.095 0.000 1.023 194 N CA 1.807 54.918 53.050 0.102 0.000 0.862 194 N CB -0.215 38.309 38.487 0.062 0.000 1.003 194 N HN 0.468 nan 8.380 nan 0.000 0.431 195 T N -0.749 113.842 114.554 0.062 0.000 3.054 195 T HA 0.167 4.540 4.350 0.039 0.000 0.259 195 T C 1.115 175.816 174.700 0.003 0.000 1.092 195 T CA 0.126 62.246 62.100 0.034 0.000 1.121 195 T CB -0.051 68.835 68.868 0.031 0.000 0.912 195 T HN 0.248 nan 8.240 nan 0.000 0.489 196 L N -0.325 120.891 121.223 -0.011 0.000 4.089 196 L HA -0.145 4.219 4.340 0.039 0.000 0.408 196 L C -0.555 176.215 176.870 -0.166 0.000 1.184 196 L CA 0.088 54.876 54.840 -0.087 0.000 0.947 196 L CB -2.118 39.891 42.059 -0.084 0.000 2.066 196 L HN 0.432 nan 8.230 nan 0.000 0.851 197 Q N -0.910 118.814 119.800 -0.127 0.000 2.351 197 Q HA 0.393 4.757 4.340 0.039 0.000 0.273 197 Q C -0.400 175.536 176.000 -0.106 0.000 1.077 197 Q CA -0.639 55.073 55.803 -0.151 0.000 0.843 197 Q CB 1.122 29.851 28.738 -0.016 0.000 1.367 197 Q HN 0.187 nan 8.270 nan 0.000 0.449 198 W N 1.044 122.369 121.300 0.043 0.000 2.193 198 W HA 0.044 4.727 4.660 0.038 0.000 0.338 198 W C 0.449 176.994 176.519 0.044 0.000 1.310 198 W CA 0.011 57.379 57.345 0.040 0.000 1.243 198 W CB 0.373 29.851 29.460 0.029 0.000 1.165 198 W HN 0.465 nan 8.180 nan 0.000 0.566 199 D N 2.054 122.642 120.400 0.315 0.000 2.280 199 D HA 0.016 4.680 4.640 0.039 0.000 0.236 199 D C 0.976 177.375 176.300 0.165 0.000 1.082 199 D CA -0.199 53.918 54.000 0.195 0.000 0.834 199 D CB 1.195 42.097 40.800 0.170 0.000 1.100 199 D HN 0.530 nan 8.370 nan 0.000 0.486 200 E N 2.942 123.216 120.200 0.123 0.000 2.077 200 E HA -0.222 4.152 4.350 0.039 0.000 0.193 200 E C 1.144 177.790 176.600 0.077 0.000 0.989 200 E CA 1.164 57.618 56.400 0.089 0.000 0.800 200 E CB 0.274 30.015 29.700 0.070 0.000 0.746 200 E HN 0.420 nan 8.360 nan 0.000 0.452 201 K N -0.230 120.217 120.400 0.078 0.000 2.063 201 K HA -0.148 4.195 4.320 0.039 0.000 0.208 201 K C 2.199 178.837 176.600 0.064 0.000 1.048 201 K CA 1.641 57.968 56.287 0.067 0.000 0.928 201 K CB -0.088 32.453 32.500 0.068 0.000 0.713 201 K HN 0.207 nan 8.250 nan 0.000 0.442 202 M N 0.460 120.124 119.600 0.106 0.000 2.117 202 M HA -0.167 4.337 4.480 0.039 0.000 0.262 202 M C 2.424 178.824 176.300 0.167 0.000 1.065 202 M CA 1.362 56.754 55.300 0.154 0.000 1.114 202 M CB -1.231 31.517 32.600 0.246 0.000 1.361 202 M HN 0.229 nan 8.290 nan 0.000 0.408 203 C N 0.207 119.585 119.300 0.131 0.000 2.425 203 C HA -0.154 4.330 4.460 0.039 0.000 0.277 203 C C 2.838 177.855 174.990 0.046 0.000 1.280 203 C CA 0.901 59.972 59.018 0.087 0.000 1.744 203 C CB -0.922 26.837 27.740 0.032 0.000 1.989 203 C HN 0.565 nan 8.230 nan 0.000 0.491 204 K N 0.841 121.258 120.400 0.027 0.000 2.026 204 K HA -0.129 4.215 4.320 0.039 0.000 0.208 204 K C 1.785 178.368 176.600 -0.028 0.000 1.048 204 K CA 1.511 57.802 56.287 0.007 0.000 0.929 204 K CB -0.272 32.240 32.500 0.020 0.000 0.713 204 K HN 0.449 nan 8.250 nan 0.000 0.439 205 I N 0.196 120.704 120.570 -0.103 0.000 2.194 205 I HA -0.276 3.917 4.170 0.039 0.000 0.246 205 I C 1.302 177.191 176.117 -0.380 0.000 1.093 205 I CA 1.381 62.510 61.300 -0.284 0.000 1.355 205 I CB -0.171 37.451 38.000 -0.629 0.000 1.046 205 I HN 0.117 nan 8.210 nan 0.000 0.413 206 F N 0.896 120.770 119.950 -0.127 0.000 2.692 206 F HA 0.139 4.690 4.527 0.041 0.000 0.303 206 F C 0.654 176.361 175.800 -0.155 0.000 1.114 206 F CA -0.085 57.766 58.000 -0.250 0.000 1.361 206 F CB -0.725 38.065 39.000 -0.349 0.000 1.063 206 F HN 0.068 nan 8.300 nan 0.000 0.550 207 N N 0.108 118.821 118.700 0.020 0.000 2.776 207 N HA -0.220 4.543 4.740 0.039 0.000 0.250 207 N C -0.506 174.993 175.510 -0.018 0.000 1.112 207 N CA 0.538 53.590 53.050 0.004 0.000 0.733 207 N CB -1.972 36.518 38.487 0.005 0.000 1.097 207 N HN 0.287 nan 8.380 nan 0.000 0.558 208 I N 1.030 121.589 120.570 -0.018 0.000 2.256 208 I HA 0.091 4.285 4.170 0.039 0.000 0.294 208 I C 1.660 177.748 176.117 -0.049 0.000 1.127 208 I CA -0.115 61.151 61.300 -0.056 0.000 1.247 208 I CB 0.361 38.307 38.000 -0.090 0.000 1.460 208 I HN 0.185 nan 8.210 nan 0.000 0.511 209 T N 0.445 114.970 114.554 -0.047 0.000 3.055 209 T HA -0.021 4.353 4.350 0.039 0.000 0.265 209 T C 0.854 175.530 174.700 -0.041 0.000 1.111 209 T CA 0.396 62.476 62.100 -0.035 0.000 1.118 209 T CB -0.109 68.741 68.868 -0.031 0.000 0.909 209 T HN 0.419 nan 8.240 nan 0.000 0.501 210 N N 0.247 118.910 118.700 -0.062 0.000 2.577 210 N HA 0.366 5.130 4.740 0.039 0.000 0.275 210 N C 0.169 175.620 175.510 -0.097 0.000 1.091 210 N CA -0.410 52.601 53.050 -0.066 0.000 0.843 210 N CB 1.357 39.805 38.487 -0.065 0.000 1.295 210 N HN 0.167 nan 8.380 nan 0.000 0.530 211 M N 0.736 120.285 119.600 -0.084 0.000 2.619 211 M HA -0.068 4.436 4.480 0.039 0.000 0.251 211 M C 1.741 177.959 176.300 -0.138 0.000 1.106 211 M CA 0.527 55.751 55.300 -0.126 0.000 1.086 211 M CB 0.074 32.635 32.600 -0.064 0.000 1.465 211 M HN 0.559 nan 8.290 nan 0.000 0.506 212 S N 0.137 115.782 115.700 -0.092 0.000 2.507 212 S HA -0.058 4.436 4.470 0.039 0.000 0.235 212 S C 1.629 176.157 174.600 -0.120 0.000 0.988 212 S CA 0.834 58.989 58.200 -0.076 0.000 0.944 212 S CB -0.980 62.194 63.200 -0.044 0.000 0.762 212 S HN 0.492 nan 8.310 nan 0.000 0.526 213 V N -0.931 118.876 119.914 -0.178 0.000 3.380 213 V HA 0.368 4.511 4.120 0.039 0.000 0.268 213 V C 0.633 176.538 176.094 -0.315 0.000 1.168 213 V CA 0.152 62.309 62.300 -0.239 0.000 1.156 213 V CB -1.044 30.628 31.823 -0.251 0.000 0.785 213 V HN 0.465 nan 8.190 nan 0.000 0.487 214 L N 2.818 123.830 121.223 -0.353 0.000 2.326 214 L HA 0.474 4.838 4.340 0.039 0.000 0.278 214 L C -1.936 174.841 176.870 -0.155 0.000 1.092 214 L CA -1.844 52.701 54.840 -0.492 0.000 0.810 214 L CB 1.187 42.565 42.059 -1.134 0.000 1.153 214 L HN 0.114 nan 8.230 nan 0.000 0.439 215 P HA 0.068 nan 4.420 nan 0.000 0.277 215 P C -0.830 176.762 177.300 0.486 0.000 1.240 215 P CA -0.596 62.647 63.100 0.238 0.000 0.798 215 P CB 0.828 32.685 31.700 0.263 0.000 0.979 216 E N 1.745 122.180 120.200 0.392 0.000 2.415 216 E HA 0.085 4.459 4.350 0.039 0.000 0.263 216 E C -0.439 176.376 176.600 0.359 0.000 0.995 216 E CA -0.266 56.370 56.400 0.393 0.000 0.915 216 E CB 0.051 29.980 29.700 0.381 0.000 0.951 216 E HN 0.314 nan 8.360 nan 0.000 0.449 217 I N 5.185 125.853 120.570 0.163 0.000 2.352 217 I HA 0.164 4.358 4.170 0.039 0.000 0.290 217 I C 0.489 176.616 176.117 0.016 0.000 1.036 217 I CA -0.102 61.203 61.300 0.010 0.000 1.336 217 I CB 0.824 38.648 38.000 -0.294 0.000 1.407 217 I HN 0.377 nan 8.210 nan 0.000 0.497 218 K N 4.098 124.531 120.400 0.054 0.000 2.238 218 K HA 0.475 4.819 4.320 0.039 0.000 0.239 218 K C -0.021 176.592 176.600 0.021 0.000 0.987 218 K CA -0.728 55.543 56.287 -0.027 0.000 0.857 218 K CB 1.971 34.373 32.500 -0.163 0.000 1.154 218 K HN 0.716 nan 8.250 nan 0.000 0.439 219 S N 0.000 115.685 115.700 -0.026 0.000 2.608 219 S HA 0.040 4.534 4.470 0.039 0.000 0.261 219 S C 0.681 175.363 174.600 0.137 0.000 1.314 219 S CA -0.190 58.033 58.200 0.037 0.000 0.992 219 S CB 0.503 63.712 63.200 0.014 0.000 0.935 219 S HN 0.633 nan 8.310 nan 0.000 0.564 220 N N -0.567 118.213 118.700 0.135 0.000 2.270 220 N HA 0.062 4.825 4.740 0.039 0.000 0.181 220 N C -0.324 175.255 175.510 0.115 0.000 1.016 220 N CA 0.800 53.926 53.050 0.127 0.000 0.870 220 N CB -0.114 38.411 38.487 0.063 0.000 0.979 220 N HN 0.479 nan 8.380 nan 0.000 0.431 221 C N 0.494 119.808 119.300 0.024 0.000 2.239 221 C HA 0.698 5.182 4.460 0.039 0.000 0.325 221 C C 0.286 175.253 174.990 -0.038 0.000 1.231 221 C CA -0.666 58.349 59.018 -0.004 0.000 1.652 221 C CB -0.402 27.286 27.740 -0.087 0.000 2.284 221 C HN 0.174 nan 8.230 nan 0.000 0.499 222 S N 1.596 117.245 115.700 -0.086 0.000 2.611 222 S HA 0.369 4.863 4.470 0.039 0.000 0.268 222 S C -1.312 172.999 174.600 -0.481 0.000 1.156 222 S CA -0.504 57.439 58.200 -0.427 0.000 0.817 222 S CB 0.978 63.666 63.200 -0.853 0.000 1.122 222 S HN 0.724 nan 8.310 nan 0.000 0.466 223 N N 1.950 120.346 118.700 -0.507 0.000 2.555 223 N HA 0.278 5.042 4.740 0.039 0.000 0.244 223 N C -0.108 175.110 175.510 -0.486 0.000 1.114 223 N CA -0.279 52.571 53.050 -0.334 0.000 0.963 223 N CB -0.673 37.695 38.487 -0.198 0.000 1.276 223 N HN 0.512 nan 8.380 nan 0.000 0.510 224 F N 1.594 121.483 119.950 -0.102 0.000 2.780 224 F HA 0.296 4.848 4.527 0.041 0.000 0.299 224 F C 1.816 177.735 175.800 0.197 0.000 1.146 224 F CA 0.752 58.740 58.000 -0.020 0.000 1.428 224 F CB -0.179 38.843 39.000 0.036 0.000 1.115 224 F HN 0.548 nan 8.300 nan 0.000 0.583 225 G N 0.045 108.977 108.800 0.220 0.000 2.381 225 G HA2 -0.008 3.976 3.960 0.039 0.000 0.672 225 G HA3 -0.008 3.976 3.960 0.039 0.000 0.672 225 G C -1.398 173.579 174.900 0.128 0.000 1.324 225 G CA -1.243 43.967 45.100 0.183 0.000 0.975 225 G HN 0.000 nan 8.290 nan 0.000 0.593 226 L N 0.161 121.437 121.223 0.089 0.000 2.325 226 L HA 0.554 4.917 4.340 0.039 0.000 0.279 226 L C 0.964 177.870 176.870 0.060 0.000 1.054 226 L CA -1.205 53.676 54.840 0.068 0.000 0.804 226 L CB 1.629 43.715 42.059 0.045 0.000 1.200 226 L HN 0.470 nan 8.230 nan 0.000 0.436 227 V N 3.803 123.759 119.914 0.069 0.000 2.585 227 V HA 0.045 4.189 4.120 0.039 0.000 0.296 227 V C 0.798 176.912 176.094 0.034 0.000 1.035 227 V CA 0.192 62.527 62.300 0.058 0.000 1.084 227 V CB 0.769 32.650 31.823 0.097 0.000 0.953 227 V HN 0.760 nan 8.190 nan 0.000 0.483 228 K N 1.512 121.912 120.400 0.001 0.000 2.529 228 K HA 0.152 4.496 4.320 0.039 0.000 0.215 228 K C 0.825 177.388 176.600 -0.061 0.000 1.286 228 K CA 0.018 56.289 56.287 -0.027 0.000 0.997 228 K CB 0.785 33.260 32.500 -0.042 0.000 1.063 228 K HN 0.571 nan 8.250 nan 0.000 0.590 229 S N 3.161 118.821 115.700 -0.067 0.000 2.546 229 S HA -0.048 4.445 4.470 0.039 0.000 0.290 229 S C 1.353 175.827 174.600 -0.211 0.000 1.290 229 S CA -0.036 58.083 58.200 -0.136 0.000 1.069 229 S CB 0.612 63.742 63.200 -0.115 0.000 0.846 229 S HN 0.257 nan 8.310 nan 0.000 0.495 230 E N 4.765 124.777 120.200 -0.313 0.000 2.409 230 E HA -0.187 4.187 4.350 0.039 0.000 0.198 230 E C 0.752 177.082 176.600 -0.449 0.000 1.024 230 E CA 1.159 57.353 56.400 -0.344 0.000 0.861 230 E CB -0.473 29.024 29.700 -0.339 0.000 0.788 230 E HN 0.857 nan 8.360 nan 0.000 0.521 231 H N 1.125 119.964 119.070 -0.384 0.000 2.524 231 H HA 0.051 4.634 4.556 0.044 0.000 0.282 231 H C 0.953 176.048 175.328 -0.389 0.000 1.016 231 H CA 1.280 57.009 56.048 -0.532 0.000 1.270 231 H CB 0.511 29.527 29.762 -1.244 0.000 1.394 231 H HN 0.144 nan 8.280 nan 0.000 0.568 232 V N -0.637 119.166 119.914 -0.185 0.000 2.384 232 V HA 0.223 4.366 4.120 0.039 0.000 0.257 232 V C -2.063 174.102 176.094 0.118 0.000 0.969 232 V CA -1.458 60.857 62.300 0.025 0.000 0.910 232 V CB 1.838 33.658 31.823 -0.005 0.000 1.150 232 V HN -0.084 nan 8.190 nan 0.000 0.481 233 P HA -0.101 nan 4.420 nan 0.000 0.217 233 P C 0.825 178.161 177.300 0.061 0.000 1.150 233 P CA 1.356 64.474 63.100 0.031 0.000 0.832 233 P CB 0.437 32.133 31.700 -0.006 0.000 0.787 234 D N -1.455 118.996 120.400 0.085 0.000 2.310 234 D HA -0.122 4.541 4.640 0.039 0.000 0.212 234 D C 1.168 177.404 176.300 -0.106 0.000 0.965 234 D CA 0.924 54.903 54.000 -0.035 0.000 0.879 234 D CB -0.699 40.031 40.800 -0.118 0.000 0.921 234 D HN 0.341 nan 8.370 nan 0.000 0.510 235 Y N -0.262 120.051 120.300 0.021 0.000 2.468 235 Y HA 0.194 4.766 4.550 0.037 0.000 0.268 235 Y C 0.518 176.427 175.900 0.016 0.000 1.177 235 Y CA -0.867 57.253 58.100 0.034 0.000 1.265 235 Y CB 0.150 38.644 38.460 0.056 0.000 1.103 235 Y HN -0.111 nan 8.280 nan 0.000 0.522 236 L N 2.040 123.334 121.223 0.118 0.000 2.601 236 L HA -0.068 4.295 4.340 0.039 0.000 0.277 236 L C 0.576 177.476 176.870 0.049 0.000 1.219 236 L CA 0.364 55.240 54.840 0.060 0.000 0.915 236 L CB -0.079 41.992 42.059 0.020 0.000 1.160 236 L HN 0.413 nan 8.230 nan 0.000 0.494 237 N N 2.563 121.292 118.700 0.048 0.000 2.828 237 N HA -0.200 4.564 4.740 0.039 0.000 0.248 237 N C -0.361 175.179 175.510 0.049 0.000 1.044 237 N CA 0.967 54.039 53.050 0.038 0.000 0.851 237 N CB -1.187 37.311 38.487 0.018 0.000 1.136 237 N HN 0.399 nan 8.380 nan 0.000 0.572 238 I N 2.253 122.873 120.570 0.082 0.000 2.471 238 I HA 0.164 4.357 4.170 0.039 0.000 0.286 238 I C -1.605 174.568 176.117 0.093 0.000 1.079 238 I CA -1.763 59.594 61.300 0.095 0.000 1.398 238 I CB 0.119 38.217 38.000 0.164 0.000 1.403 238 I HN -0.106 nan 8.210 nan 0.000 0.530 239 P HA 0.297 nan 4.420 nan 0.000 0.279 239 P C -0.508 176.847 177.300 0.091 0.000 1.239 239 P CA -0.306 62.838 63.100 0.073 0.000 0.789 239 P CB 1.085 32.812 31.700 0.045 0.000 0.933 240 I N 3.110 123.754 120.570 0.123 0.000 2.312 240 I HA 0.161 4.354 4.170 0.039 0.000 0.291 240 I C 1.436 177.699 176.117 0.242 0.000 1.031 240 I CA 0.076 61.464 61.300 0.147 0.000 1.293 240 I CB 0.884 38.975 38.000 0.153 0.000 1.403 240 I HN 0.429 nan 8.210 nan 0.000 0.484 241 T N 0.600 115.271 114.554 0.195 0.000 3.016 241 T HA 0.327 4.701 4.350 0.039 0.000 0.271 241 T C 0.442 175.285 174.700 0.239 0.000 0.968 241 T CA -0.246 61.977 62.100 0.205 0.000 0.891 241 T CB 0.557 69.464 68.868 0.065 0.000 1.149 241 T HN 0.634 nan 8.240 nan 0.000 0.524 242 G N -0.161 108.723 108.800 0.141 0.000 2.682 242 G HA2 0.562 4.545 3.960 0.039 0.000 0.300 242 G HA3 0.562 4.545 3.960 0.039 0.000 0.300 242 G C -1.662 173.108 174.900 -0.217 0.000 1.391 242 G CA -0.728 44.390 45.100 0.030 0.000 0.990 242 G HN 0.422 nan 8.290 nan 0.000 0.501 243 C N 2.642 121.778 119.300 -0.274 0.000 2.752 243 C HA 0.838 5.322 4.460 0.039 0.000 0.360 243 C C -1.007 173.869 174.990 -0.190 0.000 1.081 243 C CA -0.495 58.266 59.018 -0.429 0.000 1.272 243 C CB -0.164 26.952 27.740 -1.040 0.000 1.754 243 C HN 0.921 nan 8.230 nan 0.000 0.483 244 I N 3.700 124.187 120.570 -0.138 0.000 2.908 244 I HA 0.636 4.830 4.170 0.039 0.000 0.300 244 I C 0.404 176.474 176.117 -0.078 0.000 1.385 244 I CA -0.021 61.235 61.300 -0.074 0.000 1.004 244 I CB 2.079 40.055 38.000 -0.040 0.000 1.309 244 I HN 0.892 nan 8.210 nan 0.000 0.449 245 G N 2.799 111.554 108.800 -0.075 0.000 2.544 245 G HA2 0.117 4.100 3.960 0.039 0.000 0.242 245 G HA3 0.117 4.100 3.960 0.039 0.000 0.242 245 G C 0.528 175.363 174.900 -0.109 0.000 1.247 245 G CA 0.387 45.424 45.100 -0.106 0.000 0.840 245 G HN 0.831 nan 8.290 nan 0.000 0.578 246 D N 0.333 120.651 120.400 -0.136 0.000 2.144 246 D HA -0.163 4.500 4.640 0.039 0.000 0.199 246 D C 1.851 178.077 176.300 -0.123 0.000 0.984 246 D CA 1.189 55.120 54.000 -0.116 0.000 0.834 246 D CB -0.111 40.625 40.800 -0.106 0.000 0.955 246 D HN 0.328 nan 8.370 nan 0.000 0.465 247 Q N -0.069 119.616 119.800 -0.191 0.000 2.137 247 Q HA -0.023 4.341 4.340 0.039 0.000 0.198 247 Q C 2.247 178.213 176.000 -0.056 0.000 0.960 247 Q CA 0.993 56.706 55.803 -0.149 0.000 0.847 247 Q CB -0.310 28.275 28.738 -0.255 0.000 0.915 247 Q HN 0.443 nan 8.270 nan 0.000 0.448 248 Q N -0.011 119.761 119.800 -0.047 0.000 2.167 248 Q HA -0.053 4.310 4.340 0.039 0.000 0.202 248 Q C 2.148 178.167 176.000 0.032 0.000 0.970 248 Q CA 1.315 57.132 55.803 0.022 0.000 0.855 248 Q CB -0.283 28.477 28.738 0.036 0.000 0.911 248 Q HN 0.182 nan 8.270 nan 0.000 0.438 249 S N -0.201 115.491 115.700 -0.014 0.000 2.383 249 S HA -0.172 4.322 4.470 0.039 0.000 0.229 249 S C 1.876 176.456 174.600 -0.034 0.000 1.030 249 S CA 1.112 59.294 58.200 -0.029 0.000 1.002 249 S CB -0.266 62.903 63.200 -0.053 0.000 0.829 249 S HN 0.507 nan 8.310 nan 0.000 0.467 250 A N -0.185 122.619 122.820 -0.027 0.000 2.067 250 A HA -0.053 4.291 4.320 0.039 0.000 0.219 250 A C 2.374 179.941 177.584 -0.030 0.000 1.158 250 A CA 1.326 53.351 52.037 -0.021 0.000 0.661 250 A CB -1.124 17.878 19.000 0.003 0.000 0.801 250 A HN 0.712 nan 8.150 nan 0.000 0.452 251 C N -0.438 118.854 119.300 -0.014 0.000 2.432 251 C HA -0.088 4.395 4.460 0.039 0.000 0.277 251 C C 2.485 177.388 174.990 -0.146 0.000 1.249 251 C CA 0.782 59.782 59.018 -0.031 0.000 1.725 251 C CB -1.027 26.761 27.740 0.081 0.000 2.028 251 C HN 0.588 nan 8.230 nan 0.000 0.477 252 I N 1.784 122.311 120.570 -0.072 0.000 2.179 252 I HA -0.087 4.106 4.170 0.039 0.000 0.242 252 I C 2.741 178.768 176.117 -0.150 0.000 1.088 252 I CA 2.107 63.360 61.300 -0.078 0.000 1.357 252 I CB -2.113 35.914 38.000 0.046 0.000 1.051 252 I HN 0.395 nan 8.210 nan 0.000 0.409 253 G N 0.103 108.835 108.800 -0.114 0.000 2.448 253 G HA2 -0.206 3.778 3.960 0.039 0.000 0.219 253 G HA3 -0.206 3.778 3.960 0.039 0.000 0.219 253 G C 1.473 176.322 174.900 -0.085 0.000 1.127 253 G CA 0.254 45.289 45.100 -0.108 0.000 0.766 253 G HN 0.401 nan 8.290 nan 0.000 0.552 254 Q N -0.637 119.087 119.800 -0.127 0.000 2.360 254 Q HA 0.351 4.715 4.340 0.039 0.000 0.202 254 Q C 1.477 177.330 176.000 -0.246 0.000 0.915 254 Q CA 0.495 56.229 55.803 -0.115 0.000 0.943 254 Q CB 0.420 29.108 28.738 -0.083 0.000 1.064 254 Q HN 0.532 nan 8.270 nan 0.000 0.511 255 A N 1.428 123.948 122.820 -0.501 0.000 2.846 255 A HA -0.154 4.190 4.320 0.039 0.000 0.287 255 A C 0.239 177.261 177.584 -0.936 0.000 1.469 255 A CA 0.286 51.730 52.037 -0.989 0.000 0.757 255 A CB -1.944 16.863 19.000 -0.321 0.000 1.033 255 A HN 0.278 nan 8.150 nan 0.000 0.516 256 I N 0.672 120.788 120.570 -0.755 0.000 2.280 256 I HA 0.174 4.367 4.170 0.039 0.000 0.287 256 I C 0.712 176.752 176.117 -0.127 0.000 1.121 256 I CA 0.091 61.211 61.300 -0.301 0.000 1.798 256 I CB -1.554 36.369 38.000 -0.127 0.000 1.489 256 I HN 0.375 nan 8.210 nan 0.000 0.805 257 F N 0.550 120.545 119.950 0.075 0.000 2.717 257 F HA 0.207 4.757 4.527 0.039 0.000 0.295 257 F C 0.937 176.799 175.800 0.104 0.000 1.117 257 F CA -0.288 57.775 58.000 0.105 0.000 1.361 257 F CB 0.083 39.078 39.000 -0.008 0.000 1.112 257 F HN 0.168 nan 8.300 nan 0.000 0.594 258 D N 0.370 120.898 120.400 0.213 0.000 2.228 258 D HA 0.088 4.751 4.640 0.039 0.000 0.247 258 D C -0.157 176.198 176.300 0.091 0.000 0.995 258 D CA -0.495 53.585 54.000 0.132 0.000 0.903 258 D CB 1.249 42.109 40.800 0.099 0.000 1.205 258 D HN 0.075 nan 8.370 nan 0.000 0.459 259 E N -0.092 120.147 120.200 0.064 0.000 2.465 259 E HA 0.217 4.591 4.350 0.039 0.000 0.260 259 E C 0.854 177.474 176.600 0.033 0.000 0.980 259 E CA 0.584 57.008 56.400 0.040 0.000 0.927 259 E CB 0.188 29.904 29.700 0.027 0.000 0.934 259 E HN 0.683 nan 8.360 nan 0.000 0.459 260 G N 3.679 112.492 108.800 0.021 0.000 2.217 260 G HA2 -0.272 3.711 3.960 0.039 0.000 0.246 260 G HA3 -0.272 3.711 3.960 0.039 0.000 0.246 260 G C -0.056 174.849 174.900 0.007 0.000 0.990 260 G CA 0.227 45.330 45.100 0.004 0.000 0.627 260 G HN 0.607 nan 8.290 nan 0.000 0.522 261 E N 0.668 120.883 120.200 0.025 0.000 2.366 261 E HA 0.585 4.958 4.350 0.039 0.000 0.266 261 E C 0.260 176.868 176.600 0.013 0.000 1.051 261 E CA 0.339 56.751 56.400 0.020 0.000 0.884 261 E CB 1.429 31.141 29.700 0.020 0.000 1.006 261 E HN 0.845 nan 8.360 nan 0.000 0.417 262 A N 2.488 125.311 122.820 0.006 0.000 2.475 262 A HA 0.584 4.928 4.320 0.039 0.000 0.301 262 A C -1.131 176.455 177.584 0.003 0.000 1.059 262 A CA -0.940 51.101 52.037 0.006 0.000 0.710 262 A CB 1.425 20.426 19.000 0.002 0.000 1.288 262 A HN 0.566 nan 8.150 nan 0.000 0.408 263 K N -0.737 119.668 120.400 0.008 0.000 2.443 263 K HA 0.787 5.131 4.320 0.039 0.000 0.251 263 K C -1.191 175.418 176.600 0.015 0.000 0.972 263 K CA -0.519 55.776 56.287 0.013 0.000 0.833 263 K CB 1.586 34.091 32.500 0.008 0.000 1.317 263 K HN 0.885 nan 8.250 nan 0.000 0.441 264 C N 1.706 121.018 119.300 0.020 0.000 2.446 264 C HA 0.663 5.146 4.460 0.039 0.000 0.329 264 C C -1.003 173.990 174.990 0.004 0.000 1.166 264 C CA -0.058 58.941 59.018 -0.033 0.000 1.341 264 C CB 0.696 28.374 27.740 -0.102 0.000 1.970 264 C HN 0.845 nan 8.230 nan 0.000 0.452 265 T N 5.477 120.029 114.554 -0.004 0.000 2.795 265 T HA 0.459 4.833 4.350 0.039 0.000 0.282 265 T C -1.147 173.557 174.700 0.006 0.000 0.980 265 T CA 0.097 62.252 62.100 0.092 0.000 1.012 265 T CB 0.507 69.454 68.868 0.133 0.000 0.936 265 T HN 0.588 nan 8.240 nan 0.000 0.457 266 Y N 1.761 122.130 120.300 0.115 0.000 2.353 266 Y HA 0.619 5.191 4.550 0.038 0.000 0.340 266 Y C 0.932 176.904 175.900 0.119 0.000 0.972 266 Y CA -0.287 57.880 58.100 0.112 0.000 1.157 266 Y CB 1.502 40.036 38.460 0.124 0.000 1.157 266 Y HN 0.902 nan 8.280 nan 0.000 0.495 267 G N 0.443 109.391 108.800 0.246 0.000 2.933 267 G HA2 0.115 4.099 3.960 0.039 0.000 0.203 267 G HA3 0.115 4.099 3.960 0.039 0.000 0.203 267 G C 0.511 175.547 174.900 0.228 0.000 1.170 267 G CA -0.232 45.006 45.100 0.229 0.000 0.880 267 G HN 0.334 nan 8.290 nan 0.000 0.573 268 T N 0.453 115.178 114.554 0.284 0.000 2.665 268 T HA 0.102 4.475 4.350 0.039 0.000 0.268 268 T C 1.300 176.217 174.700 0.363 0.000 1.035 268 T CA 1.890 64.185 62.100 0.324 0.000 1.151 268 T CB -0.558 68.567 68.868 0.428 0.000 0.862 268 T HN 0.797 nan 8.240 nan 0.000 0.438 269 G N -0.314 108.775 108.800 0.482 0.000 2.820 269 G HA2 0.578 4.561 3.960 0.039 0.000 0.291 269 G HA3 0.578 4.561 3.960 0.039 0.000 0.291 269 G C -1.471 173.341 174.900 -0.146 0.000 1.323 269 G CA -0.552 44.676 45.100 0.213 0.000 1.055 269 G HN 0.201 nan 8.290 nan 0.000 0.520 270 V N -0.148 119.386 119.914 -0.634 0.000 2.604 270 V HA 0.629 4.772 4.120 0.039 0.000 0.305 270 V C -1.358 174.147 176.094 -0.983 0.000 1.043 270 V CA -0.477 61.465 62.300 -0.597 0.000 0.888 270 V CB 1.355 32.891 31.823 -0.480 0.000 0.995 270 V HN 0.527 nan 8.190 nan 0.000 0.429 271 F N 4.542 124.405 119.950 -0.145 0.000 2.579 271 F HA 0.566 5.116 4.527 0.039 0.000 0.325 271 F C -0.364 175.383 175.800 -0.088 0.000 1.162 271 F CA -0.365 57.586 58.000 -0.081 0.000 0.946 271 F CB 1.711 40.676 39.000 -0.057 0.000 1.211 271 F HN 0.300 nan 8.300 nan 0.000 0.447 272 L N 4.936 126.187 121.223 0.047 0.000 2.307 272 L HA 0.774 5.138 4.340 0.039 0.000 0.284 272 L C -1.636 175.278 176.870 0.073 0.000 1.023 272 L CA -0.762 54.092 54.840 0.023 0.000 0.810 272 L CB 1.189 43.230 42.059 -0.030 0.000 1.231 272 L HN 0.581 nan 8.230 nan 0.000 0.423 273 L N 5.981 127.240 121.223 0.060 0.000 2.410 273 L HA 0.542 4.905 4.340 0.039 0.000 0.270 273 L C -0.705 176.191 176.870 0.042 0.000 0.983 273 L CA -0.030 54.848 54.840 0.064 0.000 0.822 273 L CB 1.994 44.095 42.059 0.070 0.000 1.285 273 L HN 0.525 nan 8.230 nan 0.000 0.409 274 I N 3.017 123.610 120.570 0.040 0.000 2.406 274 I HA 0.402 4.595 4.170 0.039 0.000 0.290 274 I C -0.510 175.626 176.117 0.031 0.000 0.999 274 I CA -0.453 60.863 61.300 0.027 0.000 1.124 274 I CB 1.188 39.196 38.000 0.014 0.000 1.289 274 I HN 0.616 nan 8.210 nan 0.000 0.441 275 N N 4.692 123.412 118.700 0.034 0.000 2.470 275 N HA 0.073 4.837 4.740 0.039 0.000 0.268 275 N C 0.437 175.960 175.510 0.022 0.000 1.136 275 N CA 0.188 53.258 53.050 0.034 0.000 0.961 275 N CB 1.205 39.734 38.487 0.069 0.000 1.067 275 N HN 0.726 nan 8.380 nan 0.000 0.468 276 T N 0.695 115.259 114.554 0.018 0.000 3.134 276 T HA 0.353 4.727 4.350 0.039 0.000 0.260 276 T C 1.038 175.748 174.700 0.016 0.000 1.027 276 T CA 0.224 62.332 62.100 0.013 0.000 0.913 276 T CB -0.380 68.488 68.868 0.000 0.000 1.046 276 T HN 0.671 nan 8.240 nan 0.000 0.553 277 G N 2.340 111.147 108.800 0.012 0.000 2.547 277 G HA2 -0.300 3.684 3.960 0.039 0.000 0.271 277 G HA3 -0.300 3.684 3.960 0.039 0.000 0.271 277 G C 0.416 175.330 174.900 0.022 0.000 1.209 277 G CA 0.263 45.367 45.100 0.007 0.000 0.959 277 G HN 0.443 nan 8.290 nan 0.000 0.563 278 E N 0.697 120.917 120.200 0.033 0.000 2.481 278 E HA 0.055 4.429 4.350 0.039 0.000 0.195 278 E C 1.246 177.917 176.600 0.120 0.000 1.047 278 E CA 0.375 56.824 56.400 0.082 0.000 0.867 278 E CB 0.147 29.867 29.700 0.034 0.000 0.858 278 E HN 0.399 nan 8.360 nan 0.000 0.513 279 K N 1.698 122.117 120.400 0.032 0.000 2.297 279 K HA 0.144 4.487 4.320 0.039 0.000 0.286 279 K C -0.625 175.834 176.600 -0.236 0.000 1.053 279 K CA -0.275 55.963 56.287 -0.081 0.000 0.940 279 K CB 0.969 33.429 32.500 -0.066 0.000 1.019 279 K HN -0.184 nan 8.250 nan 0.000 0.475 280 V N 5.462 125.073 119.914 -0.504 0.000 2.439 280 V HA 0.072 4.216 4.120 0.039 0.000 0.271 280 V C -0.204 175.564 176.094 -0.543 0.000 1.040 280 V CA -0.459 61.360 62.300 -0.802 0.000 1.002 280 V CB 1.028 32.268 31.823 -0.972 0.000 1.000 280 V HN 0.460 nan 8.190 nan 0.000 0.477 281 V N 6.452 126.103 119.914 -0.438 0.000 2.384 281 V HA 0.397 4.541 4.120 0.039 0.000 0.287 281 V C -0.723 175.193 176.094 -0.297 0.000 1.020 281 V CA -0.823 61.314 62.300 -0.271 0.000 0.850 281 V CB 1.156 32.907 31.823 -0.121 0.000 0.987 281 V HN 0.688 nan 8.190 nan 0.000 0.436 282 Y N 2.342 122.608 120.300 -0.057 0.000 2.341 282 Y HA 0.420 4.993 4.550 0.039 0.000 0.340 282 Y C 0.946 176.827 175.900 -0.032 0.000 0.997 282 Y CA -0.057 58.017 58.100 -0.044 0.000 1.149 282 Y CB 1.675 40.114 38.460 -0.035 0.000 1.171 282 Y HN 0.627 nan 8.280 nan 0.000 0.494 283 S N 1.195 116.959 115.700 0.107 0.000 2.565 283 S HA 0.143 4.636 4.470 0.039 0.000 0.276 283 S C 0.976 175.596 174.600 0.033 0.000 1.326 283 S CA -0.094 58.134 58.200 0.047 0.000 1.045 283 S CB 0.343 63.554 63.200 0.019 0.000 0.918 283 S HN 0.830 nan 8.310 nan 0.000 0.505 284 T N 0.444 115.018 114.554 0.033 0.000 3.134 284 T HA 0.238 4.611 4.350 0.039 0.000 0.260 284 T C 0.460 175.179 174.700 0.031 0.000 1.027 284 T CA -0.290 61.829 62.100 0.032 0.000 0.913 284 T CB -0.675 68.219 68.868 0.043 0.000 1.046 284 T HN 0.479 nan 8.240 nan 0.000 0.553 285 C N 1.290 120.608 119.300 0.029 0.000 3.101 285 C HA 0.743 5.226 4.460 0.039 0.000 0.253 285 C C 1.831 176.865 174.990 0.075 0.000 1.754 285 C CA -0.549 58.498 59.018 0.049 0.000 1.756 285 C CB -0.731 27.035 27.740 0.044 0.000 3.227 285 C HN 0.846 nan 8.230 nan 0.000 0.483 286 G N 1.514 110.352 108.800 0.064 0.000 2.143 286 G HA2 -0.217 3.767 3.960 0.039 0.000 0.248 286 G HA3 -0.217 3.767 3.960 0.039 0.000 0.248 286 G C -0.125 174.953 174.900 0.296 0.000 0.991 286 G CA 0.125 45.334 45.100 0.183 0.000 0.689 286 G HN 0.554 nan 8.290 nan 0.000 0.522 287 L N -0.142 121.168 121.223 0.144 0.000 2.360 287 L HA 0.651 5.015 4.340 0.039 0.000 0.271 287 L C 0.963 177.890 176.870 0.096 0.000 1.057 287 L CA -1.123 53.813 54.840 0.160 0.000 0.803 287 L CB 1.341 43.463 42.059 0.105 0.000 1.207 287 L HN 0.010 nan 8.230 nan 0.000 0.445 288 I N 0.821 121.478 120.570 0.146 0.000 2.353 288 I HA 0.163 4.356 4.170 0.039 0.000 0.293 288 I C 0.060 176.238 176.117 0.103 0.000 0.992 288 I CA -0.233 61.123 61.300 0.093 0.000 1.268 288 I CB 1.742 39.846 38.000 0.173 0.000 1.387 288 I HN 0.570 nan 8.210 nan 0.000 0.478 289 T N 4.288 118.887 114.554 0.076 0.000 2.761 289 T HA 0.262 4.635 4.350 0.039 0.000 0.296 289 T C 0.032 174.808 174.700 0.127 0.000 0.934 289 T CA -0.121 62.012 62.100 0.055 0.000 1.091 289 T CB 0.858 69.696 68.868 -0.050 0.000 0.896 289 T HN 0.640 nan 8.240 nan 0.000 0.515 290 T N 2.439 117.080 114.554 0.146 0.000 2.838 290 T HA 0.585 4.958 4.350 0.039 0.000 0.292 290 T C -0.766 174.009 174.700 0.126 0.000 1.113 290 T CA -0.889 61.298 62.100 0.145 0.000 1.008 290 T CB 0.752 69.693 68.868 0.121 0.000 1.259 290 T HN 0.312 nan 8.240 nan 0.000 0.520 291 I N 2.449 123.026 120.570 0.012 0.000 2.441 291 I HA 0.230 4.423 4.170 0.039 0.000 0.287 291 I C 1.674 177.714 176.117 -0.128 0.000 1.049 291 I CA -0.133 61.064 61.300 -0.171 0.000 1.381 291 I CB 0.689 38.569 38.000 -0.200 0.000 1.409 291 I HN 0.825 nan 8.210 nan 0.000 0.523 292 C N 7.452 126.625 119.300 -0.212 0.000 2.544 292 C HA 0.075 4.559 4.460 0.039 0.000 0.280 292 C C 0.262 175.260 174.990 0.014 0.000 1.295 292 C CA 0.516 59.463 59.018 -0.119 0.000 1.702 292 C CB -0.398 27.205 27.740 -0.229 0.000 2.090 292 C HN 0.766 nan 8.230 nan 0.000 0.493 293 Y N -1.317 118.973 120.300 -0.016 0.000 2.687 293 Y HA 0.503 5.076 4.550 0.039 0.000 0.338 293 Y C -0.909 175.003 175.900 0.020 0.000 1.189 293 Y CA -1.302 56.838 58.100 0.066 0.000 1.097 293 Y CB 0.333 38.945 38.460 0.253 0.000 1.342 293 Y HN 0.057 nan 8.280 nan 0.000 0.461 294 K N 2.406 122.969 120.400 0.272 0.000 2.690 294 K HA 0.381 4.724 4.320 0.039 0.000 0.243 294 K C -1.055 175.755 176.600 0.349 0.000 0.982 294 K CA -0.614 55.785 56.287 0.187 0.000 0.955 294 K CB 0.590 33.091 32.500 0.002 0.000 1.185 294 K HN 0.595 nan 8.250 nan 0.000 0.467 295 F N 1.084 121.094 119.950 0.099 0.000 2.060 295 F HA 0.020 4.571 4.527 0.041 0.000 0.295 295 F C 0.980 176.789 175.800 0.014 0.000 1.120 295 F CA 0.761 58.790 58.000 0.049 0.000 1.205 295 F CB -0.175 38.831 39.000 0.010 0.000 0.986 295 F HN 0.470 nan 8.300 nan 0.000 0.470 296 N N 0.033 118.844 118.700 0.186 0.000 2.402 296 N HA 0.091 4.854 4.740 0.039 0.000 0.294 296 N C 0.513 176.041 175.510 0.030 0.000 1.203 296 N CA -0.449 52.645 53.050 0.073 0.000 0.838 296 N CB 1.151 39.674 38.487 0.060 0.000 1.306 296 N HN -0.097 nan 8.380 nan 0.000 0.510 297 D N 0.263 120.660 120.400 -0.005 0.000 2.149 297 D HA -0.147 4.516 4.640 0.039 0.000 0.198 297 D C 0.942 177.233 176.300 -0.014 0.000 0.990 297 D CA 1.477 55.465 54.000 -0.021 0.000 0.839 297 D CB -0.010 40.767 40.800 -0.037 0.000 0.948 297 D HN 0.581 nan 8.370 nan 0.000 0.460 298 N N 0.549 119.244 118.700 -0.008 0.000 2.280 298 N HA -0.046 4.718 4.740 0.039 0.000 0.192 298 N C -0.339 175.166 175.510 -0.008 0.000 1.109 298 N CA 0.014 53.059 53.050 -0.009 0.000 0.855 298 N CB 0.059 38.541 38.487 -0.008 0.000 0.974 298 N HN -0.094 nan 8.380 nan 0.000 0.482 299 D N 1.286 121.683 120.400 -0.005 0.000 2.345 299 D HA 0.120 4.783 4.640 0.039 0.000 0.247 299 D C 0.157 176.441 176.300 -0.026 0.000 1.108 299 D CA -0.002 53.989 54.000 -0.014 0.000 0.894 299 D CB 1.209 42.007 40.800 -0.003 0.000 1.203 299 D HN 0.065 nan 8.370 nan 0.000 0.430 300 K N 2.799 123.179 120.400 -0.033 0.000 2.401 300 K HA 0.162 4.505 4.320 0.039 0.000 0.278 300 K C -2.041 174.501 176.600 -0.096 0.000 1.018 300 K CA -1.100 55.163 56.287 -0.040 0.000 0.981 300 K CB 0.329 32.819 32.500 -0.016 0.000 0.933 300 K HN 0.280 nan 8.250 nan 0.000 0.477 301 P HA 0.069 nan 4.420 nan 0.000 0.274 301 P C -0.960 176.093 177.300 -0.412 0.000 1.231 301 P CA -0.235 62.665 63.100 -0.334 0.000 0.790 301 P CB 0.668 32.066 31.700 -0.504 0.000 0.951 302 K N 2.408 122.476 120.400 -0.553 0.000 2.211 302 K HA 0.320 4.663 4.320 0.039 0.000 0.275 302 K C 0.009 176.259 176.600 -0.582 0.000 1.024 302 K CA -0.409 55.554 56.287 -0.539 0.000 0.887 302 K CB 0.353 32.380 32.500 -0.787 0.000 1.084 302 K HN 0.434 nan 8.250 nan 0.000 0.463 303 Y N 0.185 120.352 120.300 -0.222 0.000 2.408 303 Y HA 0.536 5.109 4.550 0.040 0.000 0.324 303 Y C 0.620 176.444 175.900 -0.127 0.000 1.302 303 Y CA -0.433 57.570 58.100 -0.162 0.000 1.384 303 Y CB 1.382 39.757 38.460 -0.142 0.000 1.367 303 Y HN 0.635 nan 8.280 nan 0.000 0.525 304 A N 0.709 123.593 122.820 0.108 0.000 2.606 304 A HA 0.728 5.072 4.320 0.039 0.000 0.293 304 A C -1.943 175.679 177.584 0.063 0.000 1.082 304 A CA -0.782 51.289 52.037 0.057 0.000 0.685 304 A CB 1.126 20.151 19.000 0.042 0.000 1.284 304 A HN 0.662 nan 8.150 nan 0.000 0.408 305 L N 0.960 122.213 121.223 0.050 0.000 2.317 305 L HA 0.641 5.004 4.340 0.039 0.000 0.281 305 L C 0.121 177.043 176.870 0.087 0.000 1.024 305 L CA -0.292 54.584 54.840 0.059 0.000 0.810 305 L CB 1.763 43.846 42.059 0.039 0.000 1.240 305 L HN 0.896 nan 8.230 nan 0.000 0.427 306 E N 1.493 121.769 120.200 0.127 0.000 2.248 306 E HA 0.571 4.945 4.350 0.039 0.000 0.267 306 E C -0.916 175.801 176.600 0.194 0.000 0.877 306 E CA -0.746 55.753 56.400 0.165 0.000 0.759 306 E CB 2.151 31.981 29.700 0.217 0.000 1.182 306 E HN 0.671 nan 8.360 nan 0.000 0.418 307 G N 1.983 110.874 108.800 0.153 0.000 2.422 307 G HA2 0.454 4.437 3.960 0.039 0.000 0.317 307 G HA3 0.454 4.437 3.960 0.039 0.000 0.317 307 G C -0.929 174.021 174.900 0.083 0.000 1.210 307 G CA -0.442 44.725 45.100 0.112 0.000 0.930 307 G HN 0.355 nan 8.290 nan 0.000 0.468 308 S N 1.230 116.979 115.700 0.083 0.000 2.482 308 S HA 0.628 5.121 4.470 0.039 0.000 0.303 308 S C -0.435 174.044 174.600 -0.202 0.000 1.091 308 S CA -0.456 57.729 58.200 -0.025 0.000 1.057 308 S CB 1.635 64.995 63.200 0.266 0.000 1.031 308 S HN 0.506 nan 8.310 nan 0.000 0.485 309 I N 1.975 122.288 120.570 -0.428 0.000 2.439 309 I HA 0.354 4.548 4.170 0.039 0.000 0.285 309 I C 1.231 177.195 176.117 -0.255 0.000 1.021 309 I CA -0.617 60.494 61.300 -0.316 0.000 1.091 309 I CB 1.814 39.635 38.000 -0.298 0.000 1.242 309 I HN 0.872 nan 8.210 nan 0.000 0.439 310 G N 3.650 112.329 108.800 -0.202 0.000 2.421 310 G HA2 -0.060 3.923 3.960 0.039 0.000 0.217 310 G HA3 -0.060 3.923 3.960 0.039 0.000 0.217 310 G C 0.630 175.534 174.900 0.006 0.000 1.143 310 G CA 0.556 45.631 45.100 -0.041 0.000 0.784 310 G HN 0.491 nan 8.290 nan 0.000 0.541 311 T N 0.967 115.482 114.554 -0.065 0.000 2.853 311 T HA 0.667 5.041 4.350 0.039 0.000 0.317 311 T C 0.388 175.092 174.700 0.006 0.000 1.059 311 T CA 0.112 62.218 62.100 0.010 0.000 0.954 311 T CB 1.500 70.407 68.868 0.066 0.000 0.994 311 T HN 0.347 nan 8.240 nan 0.000 0.479 312 A N 3.061 125.905 122.820 0.040 0.000 1.877 312 A HA 0.773 5.116 4.320 0.039 0.000 0.177 312 A C 2.050 179.657 177.584 0.038 0.000 1.684 312 A CA 0.395 52.455 52.037 0.039 0.000 1.774 312 A CB -0.750 18.283 19.000 0.054 0.000 1.732 312 A HN 0.668 nan 8.150 nan 0.000 0.909 313 G N 0.722 109.566 108.800 0.072 0.000 2.450 313 G HA2 -0.181 3.802 3.960 0.039 0.000 0.220 313 G HA3 -0.181 3.802 3.960 0.039 0.000 0.220 313 G C 1.815 176.757 174.900 0.070 0.000 1.130 313 G CA 2.393 47.532 45.100 0.065 0.000 0.760 313 G HN 1.169 nan 8.290 nan 0.000 0.557 314 S N 0.593 116.349 115.700 0.092 0.000 2.383 314 S HA 0.002 4.496 4.470 0.039 0.000 0.229 314 S C 2.448 177.048 174.600 -0.000 0.000 1.030 314 S CA 1.556 59.795 58.200 0.065 0.000 1.002 314 S CB -0.814 62.418 63.200 0.054 0.000 0.829 314 S HN 0.439 nan 8.310 nan 0.000 0.467 315 G N 1.313 110.112 108.800 -0.001 0.000 2.402 315 G HA2 -0.070 3.913 3.960 0.039 0.000 0.216 315 G HA3 -0.070 3.913 3.960 0.039 0.000 0.216 315 G C 1.434 176.378 174.900 0.073 0.000 1.162 315 G CA 0.854 45.955 45.100 0.001 0.000 0.777 315 G HN 0.480 nan 8.290 nan 0.000 0.539 316 V N 0.938 120.873 119.914 0.036 0.000 2.407 316 V HA -0.184 3.960 4.120 0.039 0.000 0.248 316 V C 3.019 179.141 176.094 0.046 0.000 1.055 316 V CA 2.144 64.462 62.300 0.030 0.000 1.049 316 V CB -0.360 31.450 31.823 -0.022 0.000 0.662 316 V HN 0.485 nan 8.190 nan 0.000 0.455 317 S N -1.277 114.449 115.700 0.044 0.000 2.368 317 S HA -0.284 4.209 4.470 0.039 0.000 0.225 317 S C 1.679 176.299 174.600 0.034 0.000 1.030 317 S CA 2.033 60.250 58.200 0.029 0.000 0.999 317 S CB -0.470 62.752 63.200 0.036 0.000 0.844 317 S HN 0.745 nan 8.310 nan 0.000 0.459 318 W N 1.671 122.874 121.300 -0.163 0.000 2.388 318 W HA 0.041 4.724 4.660 0.038 0.000 0.294 318 W C 1.809 178.275 176.519 -0.089 0.000 1.212 318 W CA 1.153 58.375 57.345 -0.204 0.000 1.271 318 W CB -0.357 28.824 29.460 -0.464 0.000 1.126 318 W HN 0.286 nan 8.180 nan 0.000 0.535 319 L N 0.066 121.437 121.223 0.246 0.000 2.046 319 L HA -0.233 4.130 4.340 0.039 0.000 0.208 319 L C 2.458 179.287 176.870 -0.068 0.000 1.077 319 L CA 1.220 56.131 54.840 0.118 0.000 0.747 319 L CB -1.185 40.990 42.059 0.194 0.000 0.896 319 L HN 0.108 nan 8.230 nan 0.000 0.432 320 L N 0.185 121.377 121.223 -0.051 0.000 2.056 320 L HA -0.220 4.144 4.340 0.039 0.000 0.207 320 L C 2.601 179.391 176.870 -0.133 0.000 1.078 320 L CA 1.768 56.563 54.840 -0.075 0.000 0.749 320 L CB -0.559 41.473 42.059 -0.046 0.000 0.901 320 L HN 0.129 nan 8.230 nan 0.000 0.433 321 K N -0.318 119.972 120.400 -0.184 0.000 2.103 321 K HA -0.191 4.153 4.320 0.039 0.000 0.207 321 K C 1.088 177.517 176.600 -0.287 0.000 1.048 321 K CA 2.080 58.232 56.287 -0.226 0.000 0.930 321 K CB -0.181 32.161 32.500 -0.263 0.000 0.716 321 K HN 0.512 nan 8.250 nan 0.000 0.444 322 N N 0.313 118.763 118.700 -0.418 0.000 2.276 322 N HA 0.042 4.805 4.740 0.039 0.000 0.212 322 N C -0.769 174.590 175.510 -0.251 0.000 1.127 322 N CA -0.111 52.685 53.050 -0.424 0.000 0.834 322 N CB 0.687 38.700 38.487 -0.790 0.000 1.014 322 N HN 0.062 nan 8.380 nan 0.000 0.491 323 K N -0.655 119.640 120.400 -0.175 0.000 3.391 323 K HA -0.190 4.154 4.320 0.039 0.000 0.307 323 K C 0.506 177.065 176.600 -0.068 0.000 1.304 323 K CA 0.467 56.693 56.287 -0.103 0.000 0.904 323 K CB -2.015 30.431 32.500 -0.089 0.000 1.293 323 K HN 0.340 nan 8.250 nan 0.000 0.470 324 L N -0.135 121.049 121.223 -0.064 0.000 2.313 324 L HA 0.200 4.564 4.340 0.039 0.000 0.214 324 L C 1.372 178.249 176.870 0.012 0.000 1.119 324 L CA 0.728 55.570 54.840 0.002 0.000 0.809 324 L CB 0.178 42.278 42.059 0.069 0.000 0.933 324 L HN 0.252 nan 8.230 nan 0.000 0.449 325 I N -1.382 119.183 120.570 -0.007 0.000 2.730 325 I HA 0.147 4.340 4.170 0.039 0.000 0.298 325 I C -0.195 175.906 176.117 -0.026 0.000 1.089 325 I CA -0.454 60.839 61.300 -0.011 0.000 1.041 325 I CB 2.116 40.114 38.000 -0.003 0.000 1.235 325 I HN -0.129 nan 8.210 nan 0.000 0.423 326 D N 3.134 123.519 120.400 -0.025 0.000 2.301 326 D HA 0.101 4.765 4.640 0.039 0.000 0.206 326 D C -0.237 176.046 176.300 -0.028 0.000 0.979 326 D CA 1.000 54.983 54.000 -0.028 0.000 0.874 326 D CB 0.482 41.268 40.800 -0.024 0.000 0.968 326 D HN 0.472 nan 8.370 nan 0.000 0.510 327 D N -1.149 119.236 120.400 -0.026 0.000 2.803 327 D HA 0.069 4.732 4.640 0.039 0.000 0.218 327 D C -2.224 174.060 176.300 -0.027 0.000 1.245 327 D CA -1.499 52.486 54.000 -0.025 0.000 0.821 327 D CB 2.880 43.668 40.800 -0.021 0.000 1.626 327 D HN -0.273 nan 8.370 nan 0.000 0.487 328 P HA -0.116 nan 4.420 nan 0.000 0.225 328 P C 1.282 178.557 177.300 -0.042 0.000 1.148 328 P CA 0.793 63.871 63.100 -0.035 0.000 0.779 328 P CB 0.070 31.752 31.700 -0.031 0.000 0.780 329 S N 0.413 116.095 115.700 -0.030 0.000 2.419 329 S HA -0.169 4.324 4.470 0.039 0.000 0.235 329 S C 1.661 176.242 174.600 -0.032 0.000 1.019 329 S CA 0.980 59.164 58.200 -0.028 0.000 0.982 329 S CB -1.153 62.036 63.200 -0.017 0.000 0.789 329 S HN 0.292 nan 8.310 nan 0.000 0.490 330 E N 1.345 121.525 120.200 -0.033 0.000 2.511 330 E HA 0.234 4.607 4.350 0.039 0.000 0.196 330 E C 2.019 178.594 176.600 -0.041 0.000 1.066 330 E CA 0.373 56.754 56.400 -0.031 0.000 0.871 330 E CB -0.252 29.431 29.700 -0.028 0.000 0.863 330 E HN 0.737 nan 8.360 nan 0.000 0.520 331 A N 1.079 123.863 122.820 -0.060 0.000 1.933 331 A HA -0.196 4.148 4.320 0.039 0.000 0.218 331 A C 2.272 179.819 177.584 -0.061 0.000 1.175 331 A CA 1.695 53.683 52.037 -0.081 0.000 0.628 331 A CB -0.371 18.543 19.000 -0.143 0.000 0.814 331 A HN 0.246 nan 8.150 nan 0.000 0.444 332 S N -0.399 115.273 115.700 -0.046 0.000 2.357 332 S HA -0.159 4.334 4.470 0.039 0.000 0.221 332 S C 1.727 176.323 174.600 -0.007 0.000 1.031 332 S CA 1.531 59.720 58.200 -0.018 0.000 0.982 332 S CB -0.473 62.725 63.200 -0.005 0.000 0.853 332 S HN 0.524 nan 8.310 nan 0.000 0.458 333 D N 1.373 121.766 120.400 -0.012 0.000 2.123 333 D HA -0.072 4.592 4.640 0.039 0.000 0.196 333 D C 1.891 178.182 176.300 -0.015 0.000 0.992 333 D CA 1.211 55.206 54.000 -0.009 0.000 0.833 333 D CB -0.472 40.322 40.800 -0.011 0.000 0.954 333 D HN 0.462 nan 8.370 nan 0.000 0.455 334 I N 0.344 120.899 120.570 -0.026 0.000 2.118 334 I HA -0.302 3.891 4.170 0.039 0.000 0.241 334 I C 2.473 178.573 176.117 -0.027 0.000 1.070 334 I CA 1.090 62.369 61.300 -0.035 0.000 1.327 334 I CB -0.208 37.766 38.000 -0.043 0.000 1.034 334 I HN 0.009 nan 8.210 nan 0.000 0.405 335 M N -0.484 119.104 119.600 -0.020 0.000 2.296 335 M HA -0.183 4.321 4.480 0.039 0.000 0.265 335 M C 2.090 178.395 176.300 0.009 0.000 1.064 335 M CA 1.334 56.628 55.300 -0.010 0.000 1.109 335 M CB -0.313 32.284 32.600 -0.005 0.000 1.396 335 M HN 0.130 nan 8.290 nan 0.000 0.430 336 E N 1.095 121.303 120.200 0.012 0.000 2.047 336 E HA -0.142 4.232 4.350 0.039 0.000 0.191 336 E C 1.673 178.284 176.600 0.019 0.000 0.987 336 E CA 1.460 57.872 56.400 0.021 0.000 0.799 336 E CB 0.156 29.868 29.700 0.020 0.000 0.752 336 E HN 0.356 nan 8.360 nan 0.000 0.449 337 K N -1.308 119.096 120.400 0.007 0.000 2.305 337 K HA 0.114 4.458 4.320 0.039 0.000 0.199 337 K C 0.160 176.766 176.600 0.010 0.000 1.047 337 K CA 0.339 56.630 56.287 0.006 0.000 0.976 337 K CB 0.283 32.778 32.500 -0.007 0.000 0.765 337 K HN 0.060 nan 8.250 nan 0.000 0.474 338 C N 2.454 121.756 119.300 0.003 0.000 2.206 338 C HA 0.188 4.671 4.460 0.039 0.000 0.324 338 C C 1.557 176.579 174.990 0.053 0.000 1.120 338 C CA -0.751 58.281 59.018 0.024 0.000 1.546 338 C CB -0.395 27.325 27.740 -0.032 0.000 2.023 338 C HN 0.467 nan 8.230 nan 0.000 0.448 339 E N 3.378 123.623 120.200 0.074 0.000 2.208 339 E HA -0.086 4.287 4.350 0.039 0.000 0.193 339 E C 0.487 177.136 176.600 0.082 0.000 0.988 339 E CA 1.018 57.461 56.400 0.071 0.000 0.828 339 E CB 0.314 30.057 29.700 0.072 0.000 0.763 339 E HN 0.945 nan 8.360 nan 0.000 0.478 340 N N -2.347 116.418 118.700 0.109 0.000 3.204 340 N HA 0.030 4.794 4.740 0.039 0.000 0.285 340 N C -0.084 175.524 175.510 0.162 0.000 1.536 340 N CA -0.166 52.951 53.050 0.112 0.000 0.832 340 N CB 0.820 39.369 38.487 0.103 0.000 1.645 340 N HN -0.187 nan 8.380 nan 0.000 0.586 341 T N -4.370 110.265 114.554 0.134 0.000 3.206 341 T HA 0.127 4.500 4.350 0.039 0.000 0.253 341 T C 0.503 175.194 174.700 -0.015 0.000 1.042 341 T CA 0.505 62.700 62.100 0.158 0.000 0.931 341 T CB -1.544 67.419 68.868 0.159 0.000 1.029 341 T HN 1.456 nan 8.240 nan 0.000 0.564 342 T N -2.026 112.453 114.554 -0.125 0.000 4.543 342 T HA -0.214 4.159 4.350 0.039 0.000 0.313 342 T C 1.718 176.369 174.700 -0.081 0.000 1.051 342 T CA 1.229 63.199 62.100 -0.217 0.000 2.160 342 T CB -2.584 65.993 68.868 -0.485 0.000 1.904 342 T HN 2.080 nan 8.240 nan 0.000 0.924 343 G N -1.365 107.433 108.800 -0.004 0.000 2.162 343 G HA2 -0.156 3.828 3.960 0.039 0.000 0.260 343 G HA3 -0.156 3.828 3.960 0.039 0.000 0.260 343 G C 0.185 175.119 174.900 0.056 0.000 0.976 343 G CA 0.080 45.197 45.100 0.030 0.000 0.655 343 G HN 1.690 nan 8.290 nan 0.000 0.533 344 V N 1.118 121.073 119.914 0.068 0.000 2.614 344 V HA 0.561 4.705 4.120 0.039 0.000 0.291 344 V C 0.789 176.990 176.094 0.178 0.000 1.049 344 V CA 0.093 62.456 62.300 0.106 0.000 1.038 344 V CB 1.482 33.364 31.823 0.099 0.000 0.980 344 V HN 0.313 nan 8.190 nan 0.000 0.481 345 I N 4.815 125.513 120.570 0.212 0.000 2.465 345 I HA 0.422 4.616 4.170 0.039 0.000 0.291 345 I C -0.793 175.535 176.117 0.353 0.000 1.014 345 I CA -0.215 61.267 61.300 0.304 0.000 1.093 345 I CB 1.933 40.068 38.000 0.225 0.000 1.267 345 I HN 0.515 nan 8.210 nan 0.000 0.431 346 F N 6.788 126.886 119.950 0.247 0.000 2.375 346 F HA 0.486 5.037 4.527 0.039 0.000 0.361 346 F C -0.398 175.535 175.800 0.222 0.000 1.117 346 F CA -0.956 57.135 58.000 0.150 0.000 1.037 346 F CB 1.134 40.208 39.000 0.123 0.000 1.192 346 F HN 0.064 nan 8.300 nan 0.000 0.452 347 V N 7.768 127.944 119.914 0.436 0.000 2.338 347 V HA 0.184 4.328 4.120 0.039 0.000 0.255 347 V C -2.186 173.994 176.094 0.143 0.000 1.082 347 V CA -1.527 60.911 62.300 0.231 0.000 0.951 347 V CB 0.312 32.105 31.823 -0.050 0.000 1.102 347 V HN 0.534 nan 8.190 nan 0.000 0.489 348 P HA 0.348 nan 4.420 nan 0.000 0.247 348 P C 0.015 177.172 177.300 -0.239 0.000 1.756 348 P CA 0.020 62.960 63.100 -0.266 0.000 1.117 348 P CB 0.694 32.256 31.700 -0.230 0.000 1.869 349 A N 1.621 124.222 122.820 -0.364 0.000 2.855 349 A HA 0.308 4.652 4.320 0.039 0.000 0.301 349 A C 0.825 178.254 177.584 -0.258 0.000 1.076 349 A CA -0.339 51.547 52.037 -0.250 0.000 1.004 349 A CB -1.008 17.888 19.000 -0.174 0.000 1.152 349 A HN 0.173 nan 8.150 nan 0.000 0.531 350 F N 0.290 120.132 119.950 -0.180 0.000 2.161 350 F HA -0.133 4.419 4.527 0.042 0.000 0.300 350 F C 1.915 177.640 175.800 -0.125 0.000 1.089 350 F CA 2.098 59.986 58.000 -0.186 0.000 1.282 350 F CB 0.079 38.928 39.000 -0.251 0.000 1.010 350 F HN 0.289 nan 8.300 nan 0.000 0.485 351 S N -0.245 115.464 115.700 0.015 0.000 2.562 351 S HA 0.495 4.988 4.470 0.039 0.000 0.246 351 S C 0.551 175.096 174.600 -0.093 0.000 1.056 351 S CA 0.158 58.336 58.200 -0.036 0.000 1.042 351 S CB -0.359 62.769 63.200 -0.119 0.000 0.822 351 S HN 0.644 nan 8.310 nan 0.000 0.465 352 G N 1.492 110.246 108.800 -0.077 0.000 2.750 352 G HA2 -0.212 3.772 3.960 0.039 0.000 0.228 352 G HA3 -0.212 3.772 3.960 0.039 0.000 0.228 352 G C -0.810 173.988 174.900 -0.170 0.000 1.367 352 G CA -0.825 44.238 45.100 -0.062 0.000 0.871 352 G HN 0.403 nan 8.290 nan 0.000 0.560 353 L N 0.565 121.727 121.223 -0.100 0.000 2.295 353 L HA 0.562 4.926 4.340 0.039 0.000 0.285 353 L C 0.562 177.328 176.870 -0.173 0.000 1.035 353 L CA -1.068 53.669 54.840 -0.172 0.000 0.806 353 L CB 1.247 43.240 42.059 -0.109 0.000 1.214 353 L HN 0.599 nan 8.230 nan 0.000 0.426 354 Y N 1.702 121.678 120.300 -0.540 0.000 3.164 354 Y HA 0.467 5.039 4.550 0.038 0.000 0.439 354 Y C 0.931 175.834 175.900 -1.662 0.000 1.182 354 Y CA -0.951 56.386 58.100 -1.272 0.000 1.570 354 Y CB -0.341 37.573 38.460 -0.910 0.000 1.411 354 Y HN 0.497 nan 8.280 nan 0.000 0.841 355 A N 2.086 124.241 122.820 -1.107 0.000 2.371 355 A HA 0.337 4.680 4.320 0.039 0.000 0.257 355 A C -1.933 175.444 177.584 -0.345 0.000 1.089 355 A CA -0.939 50.654 52.037 -0.739 0.000 0.794 355 A CB -0.316 18.622 19.000 -0.104 0.000 1.029 355 A HN 0.436 nan 8.150 nan 0.000 0.488 356 P HA 0.128 nan 4.420 nan 0.000 0.267 356 P C 0.772 178.058 177.300 -0.022 0.000 1.289 356 P CA 0.204 63.260 63.100 -0.073 0.000 0.866 356 P CB 0.423 32.147 31.700 0.040 0.000 1.309 357 R N -1.383 119.043 120.500 -0.124 0.000 2.161 357 R HA 0.018 4.382 4.340 0.039 0.000 0.213 357 R C 0.051 176.435 176.300 0.139 0.000 1.055 357 R CA 0.272 56.385 56.100 0.022 0.000 0.996 357 R CB -0.516 29.782 30.300 -0.003 0.000 0.901 357 R HN 0.051 nan 8.270 nan 0.000 0.456 358 W N 1.699 123.057 121.300 0.097 0.000 6.190 358 W HA -0.232 4.451 4.660 0.038 0.000 0.423 358 W C -0.535 176.050 176.519 0.111 0.000 1.680 358 W CA 0.046 57.464 57.345 0.121 0.000 1.036 358 W CB -0.865 28.657 29.460 0.103 0.000 2.908 358 W HN -0.015 nan 8.180 nan 0.000 1.429 359 R N 1.061 121.685 120.500 0.206 0.000 2.310 359 R HA 0.259 4.622 4.340 0.039 0.000 0.316 359 R C 1.074 177.454 176.300 0.133 0.000 1.004 359 R CA 0.328 56.514 56.100 0.144 0.000 0.900 359 R CB 1.075 31.416 30.300 0.068 0.000 1.152 359 R HN 0.231 nan 8.270 nan 0.000 0.513 360 S N 0.213 116.012 115.700 0.164 0.000 2.522 360 S HA -0.106 4.387 4.470 0.039 0.000 0.227 360 S C 0.974 175.629 174.600 0.092 0.000 0.986 360 S CA 0.720 59.011 58.200 0.152 0.000 0.929 360 S CB 0.082 63.374 63.200 0.152 0.000 0.769 360 S HN 0.537 nan 8.310 nan 0.000 0.529 361 D N 2.091 122.535 120.400 0.072 0.000 2.348 361 D HA 0.213 4.876 4.640 0.039 0.000 0.211 361 D C 0.816 177.126 176.300 0.018 0.000 0.998 361 D CA 0.352 54.380 54.000 0.046 0.000 0.873 361 D CB -0.556 40.271 40.800 0.044 0.000 0.925 361 D HN 0.484 nan 8.370 nan 0.000 0.524 362 A N 0.911 123.735 122.820 0.007 0.000 2.531 362 A HA 0.304 4.648 4.320 0.039 0.000 0.236 362 A C 0.420 177.974 177.584 -0.050 0.000 1.062 362 A CA 0.070 52.088 52.037 -0.032 0.000 0.760 362 A CB 0.317 19.286 19.000 -0.053 0.000 0.995 362 A HN 0.065 nan 8.150 nan 0.000 0.501 363 R N 0.588 121.038 120.500 -0.082 0.000 2.837 363 R HA 0.630 4.994 4.340 0.039 0.000 0.271 363 R C -0.235 175.934 176.300 -0.218 0.000 0.993 363 R CA -0.383 55.644 56.100 -0.122 0.000 0.931 363 R CB 1.719 31.969 30.300 -0.084 0.000 1.206 363 R HN 0.889 nan 8.270 nan 0.000 0.474 364 A N 1.234 123.829 122.820 -0.374 0.000 2.520 364 A HA 0.409 4.753 4.320 0.039 0.000 0.245 364 A C -0.428 176.920 177.584 -0.393 0.000 1.072 364 A CA 0.347 52.047 52.037 -0.562 0.000 0.761 364 A CB 0.079 18.263 19.000 -1.361 0.000 1.004 364 A HN 0.574 nan 8.150 nan 0.000 0.499 365 S N 1.361 116.856 115.700 -0.342 0.000 2.540 365 S HA 0.659 5.153 4.470 0.039 0.000 0.275 365 S C -0.755 173.466 174.600 -0.632 0.000 1.123 365 S CA -0.367 57.546 58.200 -0.478 0.000 0.907 365 S CB 1.315 64.270 63.200 -0.407 0.000 1.081 365 S HN 0.582 nan 8.310 nan 0.000 0.476 366 I N 2.620 122.696 120.570 -0.824 0.000 2.465 366 I HA 0.499 4.692 4.170 0.039 0.000 0.291 366 I C -1.494 174.193 176.117 -0.716 0.000 1.014 366 I CA -0.692 60.185 61.300 -0.706 0.000 1.093 366 I CB 1.423 39.016 38.000 -0.679 0.000 1.267 366 I HN 0.581 nan 8.210 nan 0.000 0.431 367 Y N 2.193 122.407 120.300 -0.142 0.000 2.524 367 Y HA 0.619 5.193 4.550 0.039 0.000 0.344 367 Y C 1.029 176.884 175.900 -0.075 0.000 1.012 367 Y CA -0.674 57.363 58.100 -0.105 0.000 1.068 367 Y CB 2.108 40.510 38.460 -0.097 0.000 1.249 367 Y HN 0.766 nan 8.280 nan 0.000 0.468 368 G N 1.132 109.987 108.800 0.091 0.000 2.132 368 G HA2 -0.242 3.741 3.960 0.039 0.000 0.234 368 G HA3 -0.242 3.741 3.960 0.039 0.000 0.234 368 G C -0.262 174.625 174.900 -0.022 0.000 0.989 368 G CA -0.365 44.754 45.100 0.031 0.000 0.676 368 G HN 0.442 nan 8.290 nan 0.000 0.522 369 M N 1.462 121.030 119.600 -0.052 0.000 2.235 369 M HA 0.520 5.024 4.480 0.039 0.000 0.351 369 M C 0.916 177.134 176.300 -0.136 0.000 1.178 369 M CA 0.477 55.729 55.300 -0.079 0.000 1.143 369 M CB 1.186 33.736 32.600 -0.084 0.000 1.530 369 M HN 0.456 nan 8.290 nan 0.000 0.461 370 T N -1.811 112.662 114.554 -0.135 0.000 2.888 370 T HA 0.503 4.877 4.350 0.039 0.000 0.288 370 T C 0.449 175.061 174.700 -0.148 0.000 1.063 370 T CA -0.806 61.181 62.100 -0.189 0.000 1.010 370 T CB 0.830 69.645 68.868 -0.089 0.000 1.214 370 T HN 0.408 nan 8.240 nan 0.000 0.533 371 F N 0.960 120.911 119.950 0.002 0.000 2.333 371 F HA 0.051 4.601 4.527 0.039 0.000 0.300 371 F C 2.645 178.457 175.800 0.020 0.000 1.083 371 F CA 0.920 58.926 58.000 0.011 0.000 1.395 371 F CB -0.681 38.325 39.000 0.008 0.000 1.056 371 F HN 0.698 nan 8.300 nan 0.000 0.529 372 N N 0.081 118.885 118.700 0.174 0.000 2.364 372 N HA -0.123 4.641 4.740 0.039 0.000 0.183 372 N C 0.175 175.745 175.510 0.100 0.000 1.022 372 N CA 0.780 53.895 53.050 0.108 0.000 0.883 372 N CB -0.046 38.469 38.487 0.046 0.000 0.965 372 N HN 0.136 nan 8.380 nan 0.000 0.438 373 T N 1.516 116.110 114.554 0.067 0.000 2.916 373 T HA 0.124 4.498 4.350 0.039 0.000 0.303 373 T C -0.037 174.816 174.700 0.255 0.000 1.025 373 T CA 0.291 62.462 62.100 0.119 0.000 1.142 373 T CB 1.325 70.218 68.868 0.043 0.000 0.947 373 T HN 0.164 nan 8.240 nan 0.000 0.544 374 E N 1.274 121.752 120.200 0.464 0.000 2.370 374 E HA 0.370 4.744 4.350 0.039 0.000 0.259 374 E C 1.079 177.756 176.600 0.129 0.000 0.947 374 E CA -1.082 55.441 56.400 0.205 0.000 0.809 374 E CB 1.496 31.242 29.700 0.078 0.000 1.300 374 E HN 0.419 nan 8.360 nan 0.000 0.419 375 R N 0.127 120.661 120.500 0.057 0.000 2.103 375 R HA -0.127 4.236 4.340 0.039 0.000 0.242 375 R C 2.119 178.433 176.300 0.023 0.000 1.142 375 R CA 1.589 57.719 56.100 0.051 0.000 0.960 375 R CB -0.252 30.061 30.300 0.023 0.000 0.858 375 R HN 0.303 nan 8.270 nan 0.000 0.439 376 S N -0.174 115.478 115.700 -0.080 0.000 2.402 376 S HA -0.095 4.398 4.470 0.039 0.000 0.229 376 S C 1.601 176.131 174.600 -0.117 0.000 1.021 376 S CA 0.834 58.956 58.200 -0.130 0.000 0.974 376 S CB -0.227 62.857 63.200 -0.193 0.000 0.800 376 S HN 0.418 nan 8.310 nan 0.000 0.484 377 H N 0.934 120.044 119.070 0.065 0.000 2.389 377 H HA 0.095 4.674 4.556 0.040 0.000 0.299 377 H C 2.115 177.510 175.328 0.112 0.000 1.081 377 H CA 1.039 57.131 56.048 0.074 0.000 1.345 377 H CB -0.428 29.375 29.762 0.067 0.000 1.393 377 H HN 0.384 nan 8.280 nan 0.000 0.520 378 I N 0.284 120.997 120.570 0.238 0.000 2.252 378 I HA -0.205 3.989 4.170 0.039 0.000 0.245 378 I C 2.487 178.798 176.117 0.324 0.000 1.102 378 I CA 0.625 62.096 61.300 0.285 0.000 1.385 378 I CB -0.170 37.978 38.000 0.247 0.000 1.064 378 I HN -0.014 nan 8.210 nan 0.000 0.414 379 V N 0.847 120.880 119.914 0.198 0.000 2.307 379 V HA -0.279 3.864 4.120 0.039 0.000 0.245 379 V C 2.630 178.770 176.094 0.076 0.000 1.045 379 V CA 1.998 64.374 62.300 0.127 0.000 1.024 379 V CB -0.786 31.072 31.823 0.059 0.000 0.651 379 V HN 0.420 nan 8.190 nan 0.000 0.449 380 R N 0.355 120.895 120.500 0.066 0.000 2.081 380 R HA -0.161 4.203 4.340 0.039 0.000 0.235 380 R C 2.285 178.612 176.300 0.045 0.000 1.131 380 R CA 1.677 57.790 56.100 0.022 0.000 0.960 380 R CB -0.462 29.848 30.300 0.016 0.000 0.856 380 R HN 0.474 nan 8.270 nan 0.000 0.436 381 A N 1.277 124.191 122.820 0.158 0.000 1.902 381 A HA -0.176 4.167 4.320 0.039 0.000 0.217 381 A C 2.146 179.858 177.584 0.213 0.000 1.181 381 A CA 1.388 53.567 52.037 0.238 0.000 0.623 381 A CB -0.635 18.572 19.000 0.345 0.000 0.818 381 A HN 0.466 nan 8.150 nan 0.000 0.443 382 L N -0.401 120.885 121.223 0.104 0.000 2.012 382 L HA -0.175 4.188 4.340 0.039 0.000 0.210 382 L C 2.436 179.271 176.870 -0.059 0.000 1.073 382 L CA 1.617 56.340 54.840 -0.196 0.000 0.748 382 L CB -0.247 41.577 42.059 -0.392 0.000 0.891 382 L HN 0.437 nan 8.230 nan 0.000 0.431 383 L N -0.569 120.641 121.223 -0.020 0.000 2.017 383 L HA -0.237 4.127 4.340 0.039 0.000 0.208 383 L C 2.577 179.520 176.870 0.121 0.000 1.073 383 L CA 1.620 56.489 54.840 0.049 0.000 0.745 383 L CB -0.735 41.316 42.059 -0.013 0.000 0.894 383 L HN 0.338 nan 8.230 nan 0.000 0.432 384 E N 0.111 120.286 120.200 -0.041 0.000 2.118 384 E HA -0.200 4.174 4.350 0.039 0.000 0.195 384 E C 2.206 178.804 176.600 -0.004 0.000 0.992 384 E CA 1.095 57.397 56.400 -0.164 0.000 0.804 384 E CB -0.346 29.236 29.700 -0.197 0.000 0.741 384 E HN 0.595 nan 8.360 nan 0.000 0.458 385 G N 1.478 110.358 108.800 0.134 0.000 2.450 385 G HA2 -0.253 3.730 3.960 0.039 0.000 0.220 385 G HA3 -0.253 3.730 3.960 0.039 0.000 0.220 385 G C 1.586 176.423 174.900 -0.105 0.000 1.130 385 G CA 0.695 45.824 45.100 0.047 0.000 0.760 385 G HN 0.141 nan 8.290 nan 0.000 0.557 386 I N 1.390 121.960 120.570 0.001 0.000 2.127 386 I HA -0.217 3.977 4.170 0.039 0.000 0.241 386 I C 3.311 179.389 176.117 -0.065 0.000 1.075 386 I CA 1.144 62.462 61.300 0.031 0.000 1.334 386 I CB -0.347 37.794 38.000 0.235 0.000 1.040 386 I HN 0.238 nan 8.210 nan 0.000 0.405 387 A N 0.822 123.570 122.820 -0.119 0.000 1.908 387 A HA -0.206 4.137 4.320 0.039 0.000 0.218 387 A C 2.103 179.436 177.584 -0.418 0.000 1.181 387 A CA 1.636 53.502 52.037 -0.284 0.000 0.627 387 A CB -0.992 17.838 19.000 -0.283 0.000 0.818 387 A HN 0.322 nan 8.150 nan 0.000 0.445 388 F N 0.157 119.826 119.950 -0.468 0.000 2.134 388 F HA -0.185 4.366 4.527 0.039 0.000 0.299 388 F C 2.738 178.156 175.800 -0.638 0.000 1.097 388 F CA 1.705 59.192 58.000 -0.854 0.000 1.264 388 F CB -0.790 37.042 39.000 -1.947 0.000 1.001 388 F HN 0.306 nan 8.300 nan 0.000 0.479 389 Q N -0.472 119.144 119.800 -0.307 0.000 2.050 389 Q HA -0.212 4.151 4.340 0.039 0.000 0.202 389 Q C 2.270 178.217 176.000 -0.088 0.000 0.980 389 Q CA 1.435 57.196 55.803 -0.069 0.000 0.840 389 Q CB -0.582 28.136 28.738 -0.033 0.000 0.898 389 Q HN 0.322 nan 8.270 nan 0.000 0.424 390 L N 1.464 122.606 121.223 -0.135 0.000 2.079 390 L HA -0.228 4.135 4.340 0.039 0.000 0.210 390 L C 1.895 178.703 176.870 -0.103 0.000 1.081 390 L CA 1.886 56.648 54.840 -0.130 0.000 0.752 390 L CB -0.611 41.361 42.059 -0.144 0.000 0.896 390 L HN 0.200 nan 8.230 nan 0.000 0.433 391 N N -0.334 118.297 118.700 -0.115 0.000 2.120 391 N HA -0.209 4.554 4.740 0.039 0.000 0.188 391 N C 1.758 177.254 175.510 -0.023 0.000 1.024 391 N CA 1.731 54.734 53.050 -0.077 0.000 0.852 391 N CB -0.067 38.369 38.487 -0.084 0.000 1.003 391 N HN 0.509 nan 8.380 nan 0.000 0.424 392 E N -0.203 120.000 120.200 0.005 0.000 2.077 392 E HA -0.137 4.237 4.350 0.039 0.000 0.193 392 E C 2.026 178.634 176.600 0.013 0.000 0.989 392 E CA 1.021 57.445 56.400 0.039 0.000 0.800 392 E CB -0.119 29.633 29.700 0.086 0.000 0.746 392 E HN 0.479 nan 8.360 nan 0.000 0.452 393 I N 0.769 121.331 120.570 -0.013 0.000 2.226 393 I HA -0.260 3.933 4.170 0.039 0.000 0.245 393 I C 2.358 178.469 176.117 -0.009 0.000 1.100 393 I CA 0.783 62.075 61.300 -0.013 0.000 1.374 393 I CB -0.195 37.782 38.000 -0.038 0.000 1.057 393 I HN -0.017 nan 8.210 nan 0.000 0.413 394 V N 0.722 120.621 119.914 -0.024 0.000 2.343 394 V HA -0.304 3.839 4.120 0.039 0.000 0.247 394 V C 2.043 178.131 176.094 -0.009 0.000 1.051 394 V CA 2.038 64.325 62.300 -0.022 0.000 1.036 394 V CB -0.721 31.079 31.823 -0.037 0.000 0.654 394 V HN 0.391 nan 8.190 nan 0.000 0.451 395 D N 0.102 120.501 120.400 -0.002 0.000 2.104 395 D HA -0.133 4.531 4.640 0.039 0.000 0.194 395 D C 2.471 178.779 176.300 0.014 0.000 0.994 395 D CA 1.739 55.744 54.000 0.009 0.000 0.830 395 D CB -0.351 40.461 40.800 0.019 0.000 0.959 395 D HN 0.351 nan 8.370 nan 0.000 0.452 396 S N 0.205 115.917 115.700 0.020 0.000 2.356 396 S HA -0.116 4.377 4.470 0.039 0.000 0.223 396 S C 1.971 176.584 174.600 0.021 0.000 1.032 396 S CA 0.482 58.699 58.200 0.028 0.000 1.005 396 S CB -0.341 62.884 63.200 0.041 0.000 0.867 396 S HN 0.301 nan 8.310 nan 0.000 0.449 397 L N 1.582 122.814 121.223 0.014 0.000 2.046 397 L HA -0.166 4.197 4.340 0.039 0.000 0.208 397 L C 2.603 179.472 176.870 -0.002 0.000 1.077 397 L CA 1.979 56.824 54.840 0.008 0.000 0.747 397 L CB -0.950 41.110 42.059 0.002 0.000 0.896 397 L HN 0.512 nan 8.230 nan 0.000 0.432 398 T N -3.955 110.596 114.554 -0.006 0.000 2.821 398 T HA -0.173 4.201 4.350 0.039 0.000 0.267 398 T C 2.068 176.765 174.700 -0.005 0.000 1.046 398 T CA 1.302 63.394 62.100 -0.013 0.000 1.139 398 T CB -0.508 68.351 68.868 -0.015 0.000 0.871 398 T HN 0.386 nan 8.240 nan 0.000 0.454 399 S N 1.446 117.148 115.700 0.004 0.000 2.353 399 S HA -0.188 4.305 4.470 0.039 0.000 0.222 399 S C 1.892 176.497 174.600 0.009 0.000 1.035 399 S CA 1.635 59.840 58.200 0.009 0.000 1.025 399 S CB -0.950 62.260 63.200 0.016 0.000 0.902 399 S HN 0.508 nan 8.310 nan 0.000 0.440 400 D N 0.629 121.036 120.400 0.012 0.000 2.149 400 D HA -0.062 4.601 4.640 0.039 0.000 0.198 400 D C 1.729 178.031 176.300 0.003 0.000 0.990 400 D CA 1.063 55.070 54.000 0.012 0.000 0.839 400 D CB -0.174 40.636 40.800 0.016 0.000 0.948 400 D HN 0.387 nan 8.370 nan 0.000 0.460 401 M N -1.067 118.531 119.600 -0.004 0.000 2.509 401 M HA 0.163 4.667 4.480 0.039 0.000 0.250 401 M C 1.052 177.343 176.300 -0.015 0.000 1.132 401 M CA 0.382 55.674 55.300 -0.013 0.000 1.080 401 M CB -0.166 32.420 32.600 -0.023 0.000 1.408 401 M HN 0.056 nan 8.290 nan 0.000 0.484 402 G N 3.132 111.926 108.800 -0.010 0.000 2.256 402 G HA2 -0.218 3.765 3.960 0.039 0.000 0.272 402 G HA3 -0.218 3.765 3.960 0.039 0.000 0.272 402 G C 0.044 174.936 174.900 -0.015 0.000 1.076 402 G CA 0.598 45.693 45.100 -0.008 0.000 0.882 402 G HN 0.601 nan 8.290 nan 0.000 0.497 403 I N -5.000 115.556 120.570 -0.023 0.000 3.108 403 I HA 0.904 5.097 4.170 0.039 0.000 0.312 403 I C 0.760 176.862 176.117 -0.025 0.000 1.095 403 I CA -1.334 59.945 61.300 -0.035 0.000 1.000 403 I CB 1.824 39.783 38.000 -0.070 0.000 1.229 403 I HN -0.104 nan 8.210 nan 0.000 0.454 404 E N 1.835 122.021 120.200 -0.023 0.000 2.216 404 E HA 0.246 4.620 4.350 0.039 0.000 0.192 404 E C -0.161 176.433 176.600 -0.010 0.000 0.973 404 E CA 1.055 57.450 56.400 -0.008 0.000 0.851 404 E CB 0.280 29.983 29.700 0.006 0.000 0.804 404 E HN 0.694 nan 8.360 nan 0.000 0.477 405 M N -1.339 118.246 119.600 -0.026 0.000 2.569 405 M HA 0.413 4.916 4.480 0.039 0.000 0.279 405 M C -1.363 174.894 176.300 -0.071 0.000 1.253 405 M CA -1.240 54.048 55.300 -0.020 0.000 0.867 405 M CB 1.659 34.275 32.600 0.026 0.000 1.727 405 M HN -0.198 nan 8.290 nan 0.000 0.467 406 L N 2.824 124.017 121.223 -0.051 0.000 2.331 406 L HA 0.353 4.716 4.340 0.039 0.000 0.278 406 L C 1.088 177.954 176.870 -0.007 0.000 1.106 406 L CA 0.507 55.303 54.840 -0.074 0.000 0.824 406 L CB 0.271 42.307 42.059 -0.038 0.000 1.142 406 L HN 0.715 nan 8.230 nan 0.000 0.443 407 H N 3.626 122.702 119.070 0.011 0.000 2.353 407 H HA 0.080 4.659 4.556 0.039 0.000 0.300 407 H C 0.117 175.452 175.328 0.011 0.000 1.090 407 H CA 1.393 57.451 56.048 0.017 0.000 1.327 407 H CB 0.205 29.977 29.762 0.016 0.000 1.383 407 H HN 0.338 nan 8.280 nan 0.000 0.508 408 V N 0.156 120.140 119.914 0.116 0.000 3.077 408 V HA 0.311 4.454 4.120 0.039 0.000 0.299 408 V C -1.767 174.339 176.094 0.021 0.000 1.276 408 V CA -0.992 61.335 62.300 0.045 0.000 0.993 408 V CB 2.504 34.349 31.823 0.037 0.000 1.076 408 V HN 0.056 nan 8.190 nan 0.000 0.434 409 L N 6.274 127.499 121.223 0.004 0.000 2.280 409 L HA 0.659 5.023 4.340 0.039 0.000 0.287 409 L C 0.156 177.036 176.870 0.016 0.000 1.023 409 L CA -0.019 54.825 54.840 0.007 0.000 0.819 409 L CB 1.291 43.350 42.059 0.000 0.000 1.212 409 L HN 0.681 nan 8.230 nan 0.000 0.420 410 R N 4.322 124.832 120.500 0.016 0.000 2.298 410 R HA 0.446 4.810 4.340 0.039 0.000 0.310 410 R C -0.990 175.340 176.300 0.050 0.000 1.068 410 R CA -0.426 55.687 56.100 0.021 0.000 0.957 410 R CB 0.609 30.909 30.300 0.001 0.000 1.003 410 R HN 0.601 nan 8.270 nan 0.000 0.454 411 C N 2.630 121.976 119.300 0.077 0.000 2.456 411 C HA 0.516 5.000 4.460 0.039 0.000 0.325 411 C C -0.272 174.799 174.990 0.135 0.000 1.217 411 C CA -0.710 58.397 59.018 0.148 0.000 1.687 411 C CB 1.391 29.254 27.740 0.205 0.000 2.270 411 C HN 0.881 nan 8.230 nan 0.000 0.499 412 D N 0.548 121.064 120.400 0.194 0.000 2.602 412 D HA 0.639 5.302 4.640 0.039 0.000 0.236 412 D C -0.494 175.938 176.300 0.220 0.000 1.209 412 D CA -0.089 54.005 54.000 0.157 0.000 0.831 412 D CB 2.001 42.869 40.800 0.113 0.000 1.478 412 D HN 1.166 nan 8.370 nan 0.000 0.438 413 G N -1.165 107.731 108.800 0.159 0.000 2.406 413 G HA2 0.263 4.246 3.960 0.039 0.000 0.680 413 G HA3 0.263 4.246 3.960 0.039 0.000 0.680 413 G C 0.625 175.590 174.900 0.109 0.000 1.338 413 G CA 0.004 45.203 45.100 0.165 0.000 0.941 413 G HN 0.812 nan 8.290 nan 0.000 0.633 414 G N -0.356 108.500 108.800 0.094 0.000 2.469 414 G HA2 -0.144 3.840 3.960 0.039 0.000 0.219 414 G HA3 -0.144 3.840 3.960 0.039 0.000 0.219 414 G C 1.909 176.807 174.900 -0.002 0.000 1.150 414 G CA 1.784 46.912 45.100 0.048 0.000 0.763 414 G HN 0.751 nan 8.290 nan 0.000 0.561 415 M N 1.396 120.977 119.600 -0.032 0.000 2.446 415 M HA -0.057 4.447 4.480 0.039 0.000 0.263 415 M C 2.714 178.953 176.300 -0.102 0.000 1.066 415 M CA 1.567 56.779 55.300 -0.145 0.000 1.087 415 M CB -0.405 32.026 32.600 -0.281 0.000 1.406 415 M HN 0.401 nan 8.290 nan 0.000 0.459 416 T N -2.272 112.218 114.554 -0.107 0.000 3.072 416 T HA -0.046 4.328 4.350 0.039 0.000 0.266 416 T C 1.424 176.110 174.700 -0.025 0.000 1.127 416 T CA 0.774 62.799 62.100 -0.125 0.000 1.107 416 T CB -0.182 68.649 68.868 -0.063 0.000 0.910 416 T HN 0.294 nan 8.240 nan 0.000 0.513 417 K N 1.396 121.798 120.400 0.003 0.000 2.459 417 K HA 0.167 4.510 4.320 0.039 0.000 0.193 417 K C 0.862 177.488 176.600 0.042 0.000 1.030 417 K CA -0.046 56.264 56.287 0.038 0.000 1.026 417 K CB -0.006 32.512 32.500 0.030 0.000 0.809 417 K HN 0.247 nan 8.250 nan 0.000 0.504 418 N N 1.798 120.508 118.700 0.017 0.000 2.415 418 N HA 0.028 4.791 4.740 0.039 0.000 0.250 418 N C 0.044 175.582 175.510 0.048 0.000 1.127 418 N CA 0.281 53.351 53.050 0.034 0.000 0.945 418 N CB 0.546 39.033 38.487 0.001 0.000 1.196 418 N HN 0.013 nan 8.380 nan 0.000 0.499 419 K N 3.338 123.792 120.400 0.091 0.000 2.026 419 K HA -0.083 4.260 4.320 0.039 0.000 0.208 419 K C -0.914 175.728 176.600 0.070 0.000 1.048 419 K CA 1.394 57.779 56.287 0.164 0.000 0.929 419 K CB -0.473 32.175 32.500 0.246 0.000 0.713 419 K HN 0.458 nan 8.250 nan 0.000 0.439 420 P HA -0.166 nan 4.420 nan 0.000 0.217 420 P C 1.189 178.516 177.300 0.045 0.000 1.150 420 P CA 1.029 64.171 63.100 0.069 0.000 0.832 420 P CB -0.027 31.713 31.700 0.067 0.000 0.787 421 F N 0.420 120.298 119.950 -0.120 0.000 2.075 421 F HA -0.178 4.373 4.527 0.041 0.000 0.297 421 F C 2.087 177.740 175.800 -0.245 0.000 1.113 421 F CA 1.688 59.590 58.000 -0.163 0.000 1.218 421 F CB -0.744 38.140 39.000 -0.193 0.000 0.984 421 F HN -0.276 nan 8.300 nan 0.000 0.472 422 M N -0.056 119.229 119.600 -0.525 0.000 2.159 422 M HA -0.200 4.303 4.480 0.039 0.000 0.263 422 M C 2.186 177.980 176.300 -0.843 0.000 1.063 422 M CA 1.438 56.164 55.300 -0.957 0.000 1.110 422 M CB -1.537 30.195 32.600 -1.448 0.000 1.374 422 M HN 0.291 nan 8.290 nan 0.000 0.411 423 Q N 0.015 119.514 119.800 -0.501 0.000 2.079 423 Q HA -0.119 4.245 4.340 0.039 0.000 0.200 423 Q C 1.914 177.832 176.000 -0.136 0.000 0.974 423 Q CA 1.611 57.342 55.803 -0.120 0.000 0.840 423 Q CB -0.559 28.236 28.738 0.096 0.000 0.898 423 Q HN 0.433 nan 8.270 nan 0.000 0.430 424 F N 0.621 120.395 119.950 -0.294 0.000 2.134 424 F HA -0.174 4.377 4.527 0.039 0.000 0.299 424 F C 1.810 177.368 175.800 -0.403 0.000 1.097 424 F CA 1.618 59.434 58.000 -0.306 0.000 1.264 424 F CB -0.266 38.560 39.000 -0.291 0.000 1.001 424 F HN 0.194 nan 8.300 nan 0.000 0.479 425 N N -0.501 117.942 118.700 -0.428 0.000 2.043 425 N HA -0.246 4.517 4.740 0.039 0.000 0.193 425 N C 2.110 177.401 175.510 -0.364 0.000 1.037 425 N CA 1.712 54.485 53.050 -0.462 0.000 0.851 425 N CB -0.604 37.569 38.487 -0.523 0.000 1.027 425 N HN 0.285 nan 8.380 nan 0.000 0.422 426 S N 0.973 116.492 115.700 -0.300 0.000 2.370 426 S HA -0.142 4.351 4.470 0.039 0.000 0.226 426 S C 1.266 175.759 174.600 -0.178 0.000 1.033 426 S CA 1.338 59.432 58.200 -0.176 0.000 1.011 426 S CB -0.204 62.961 63.200 -0.059 0.000 0.852 426 S HN 0.196 nan 8.310 nan 0.000 0.457 427 D N 1.183 121.439 120.400 -0.240 0.000 2.092 427 D HA -0.076 4.587 4.640 0.039 0.000 0.193 427 D C 1.948 178.053 176.300 -0.326 0.000 0.994 427 D CA 1.111 54.954 54.000 -0.262 0.000 0.828 427 D CB -0.327 40.274 40.800 -0.332 0.000 0.963 427 D HN 0.343 nan 8.370 nan 0.000 0.450 428 I N 1.145 121.405 120.570 -0.517 0.000 2.286 428 I HA -0.111 4.082 4.170 0.039 0.000 0.245 428 I C 2.476 178.426 176.117 -0.278 0.000 1.104 428 I CA 0.646 61.655 61.300 -0.485 0.000 1.397 428 I CB -0.934 36.576 38.000 -0.817 0.000 1.072 428 I HN 0.115 nan 8.210 nan 0.000 0.417 429 I N -0.729 119.689 120.570 -0.253 0.000 3.111 429 I HA -0.012 4.181 4.170 0.039 0.000 0.272 429 I C 0.759 176.815 176.117 -0.100 0.000 1.268 429 I CA 0.538 61.746 61.300 -0.154 0.000 1.467 429 I CB -0.554 37.361 38.000 -0.142 0.000 1.087 429 I HN 0.244 nan 8.210 nan 0.000 0.467 430 N N 2.007 120.643 118.700 -0.106 0.000 2.714 430 N HA -0.171 4.592 4.740 0.039 0.000 0.252 430 N C -1.014 174.484 175.510 -0.020 0.000 1.014 430 N CA 1.304 54.321 53.050 -0.054 0.000 0.735 430 N CB -1.325 37.138 38.487 -0.040 0.000 0.924 430 N HN 0.655 nan 8.380 nan 0.000 0.540 431 T N 0.344 114.881 114.554 -0.029 0.000 2.912 431 T HA 0.268 4.642 4.350 0.039 0.000 0.299 431 T C -0.248 174.434 174.700 -0.029 0.000 1.052 431 T CA -0.851 61.242 62.100 -0.012 0.000 0.996 431 T CB 1.915 70.766 68.868 -0.028 0.000 1.070 431 T HN 0.302 nan 8.240 nan 0.000 0.465 432 K N 2.823 123.198 120.400 -0.041 0.000 2.350 432 K HA 0.395 4.739 4.320 0.039 0.000 0.279 432 K C -0.870 175.654 176.600 -0.126 0.000 1.027 432 K CA -0.127 56.030 56.287 -0.217 0.000 0.969 432 K CB 0.318 32.654 32.500 -0.272 0.000 0.954 432 K HN 0.513 nan 8.250 nan 0.000 0.474 433 I N 3.461 123.972 120.570 -0.098 0.000 2.433 433 I HA 0.184 4.377 4.170 0.039 0.000 0.292 433 I C -0.523 175.613 176.117 0.032 0.000 1.001 433 I CA -0.618 60.681 61.300 -0.002 0.000 1.119 433 I CB 1.907 39.919 38.000 0.019 0.000 1.289 433 I HN 0.703 nan 8.210 nan 0.000 0.438 434 E N 5.872 126.085 120.200 0.022 0.000 2.165 434 E HA 0.457 4.830 4.350 0.039 0.000 0.266 434 E C -1.544 175.079 176.600 0.039 0.000 0.889 434 E CA -0.664 55.747 56.400 0.017 0.000 0.756 434 E CB 1.867 31.555 29.700 -0.018 0.000 1.131 434 E HN 0.319 nan 8.360 nan 0.000 0.411 435 V N 3.796 123.743 119.914 0.056 0.000 2.432 435 V HA 0.140 4.284 4.120 0.039 0.000 0.275 435 V C 0.500 176.585 176.094 -0.015 0.000 1.043 435 V CA -0.493 61.838 62.300 0.051 0.000 0.925 435 V CB 1.218 33.109 31.823 0.113 0.000 0.985 435 V HN 0.732 nan 8.190 nan 0.000 0.466 436 S N 3.611 119.296 115.700 -0.025 0.000 2.560 436 S HA 0.042 4.536 4.470 0.039 0.000 0.284 436 S C 1.274 175.761 174.600 -0.187 0.000 1.327 436 S CA -0.111 58.027 58.200 -0.103 0.000 1.055 436 S CB 0.453 63.635 63.200 -0.031 0.000 0.868 436 S HN 0.832 nan 8.310 nan 0.000 0.506 437 K N 2.816 122.969 120.400 -0.413 0.000 2.280 437 K HA -0.050 4.293 4.320 0.039 0.000 0.202 437 K C -0.558 175.769 176.600 -0.455 0.000 1.047 437 K CA 1.135 57.121 56.287 -0.502 0.000 0.942 437 K CB -0.053 32.012 32.500 -0.724 0.000 0.739 437 K HN 0.678 nan 8.250 nan 0.000 0.457 438 Y N 0.642 120.954 120.300 0.021 0.000 2.387 438 Y HA 0.208 4.782 4.550 0.039 0.000 0.336 438 Y C 0.851 176.767 175.900 0.027 0.000 1.067 438 Y CA -1.379 56.736 58.100 0.025 0.000 1.114 438 Y CB 1.371 39.838 38.460 0.012 0.000 1.208 438 Y HN -0.171 nan 8.280 nan 0.000 0.458 439 K N 0.133 120.653 120.400 0.200 0.000 2.262 439 K HA 0.087 4.431 4.320 0.039 0.000 0.200 439 K C -0.371 176.292 176.600 0.106 0.000 1.049 439 K CA 0.946 57.311 56.287 0.130 0.000 0.979 439 K CB 0.537 33.114 32.500 0.128 0.000 0.773 439 K HN 0.567 nan 8.250 nan 0.000 0.474 440 E N 2.333 122.574 120.200 0.069 0.000 3.651 440 E HA 0.063 4.437 4.350 0.039 0.000 0.220 440 E C 0.990 177.539 176.600 -0.084 0.000 1.222 440 E CA -0.095 56.277 56.400 -0.047 0.000 1.114 440 E CB 1.270 30.832 29.700 -0.229 0.000 1.278 440 E HN 0.084 nan 8.360 nan 0.000 0.412 441 V N -1.330 118.589 119.914 0.009 0.000 2.594 441 V HA -0.200 3.943 4.120 0.039 0.000 0.253 441 V C 1.810 177.868 176.094 -0.060 0.000 1.069 441 V CA 1.846 64.143 62.300 -0.005 0.000 1.082 441 V CB -0.800 31.052 31.823 0.049 0.000 0.680 441 V HN 0.199 nan 8.190 nan 0.000 0.469 442 T N 1.929 116.453 114.554 -0.050 0.000 2.708 442 T HA -0.172 4.201 4.350 0.039 0.000 0.266 442 T C 2.163 176.804 174.700 -0.099 0.000 1.037 442 T CA 2.367 64.433 62.100 -0.057 0.000 1.146 442 T CB -0.514 68.342 68.868 -0.019 0.000 0.865 442 T HN 0.905 nan 8.240 nan 0.000 0.435 443 S N 1.474 117.069 115.700 -0.175 0.000 2.406 443 S HA -0.001 4.493 4.470 0.039 0.000 0.228 443 S C 2.035 176.524 174.600 -0.186 0.000 1.020 443 S CA 0.518 58.603 58.200 -0.192 0.000 0.965 443 S CB -0.668 62.201 63.200 -0.552 0.000 0.798 443 S HN 0.254 nan 8.310 nan 0.000 0.488 444 L N 2.756 123.828 121.223 -0.252 0.000 2.046 444 L HA 0.147 4.510 4.340 0.039 0.000 0.208 444 L C 2.473 179.151 176.870 -0.321 0.000 1.077 444 L CA 1.946 56.530 54.840 -0.427 0.000 0.747 444 L CB -1.392 40.460 42.059 -0.345 0.000 0.896 444 L HN 0.410 nan 8.230 nan 0.000 0.432 445 G N -1.310 107.373 108.800 -0.195 0.000 2.422 445 G HA2 -0.240 3.743 3.960 0.039 0.000 0.218 445 G HA3 -0.240 3.743 3.960 0.039 0.000 0.218 445 G C 1.572 176.392 174.900 -0.133 0.000 1.146 445 G CA 0.745 45.763 45.100 -0.138 0.000 0.769 445 G HN 0.613 nan 8.290 nan 0.000 0.547 446 A N 0.951 123.697 122.820 -0.124 0.000 1.968 446 A HA 0.409 4.752 4.320 0.039 0.000 0.217 446 A C 2.766 180.294 177.584 -0.093 0.000 1.169 446 A CA 1.870 53.846 52.037 -0.101 0.000 0.638 446 A CB -0.586 18.370 19.000 -0.073 0.000 0.812 446 A HN 0.688 nan 8.150 nan 0.000 0.446 447 A N -0.378 122.360 122.820 -0.137 0.000 1.902 447 A HA -0.006 4.338 4.320 0.039 0.000 0.217 447 A C 2.215 179.801 177.584 0.004 0.000 1.181 447 A CA 1.777 53.743 52.037 -0.118 0.000 0.623 447 A CB -0.902 17.855 19.000 -0.405 0.000 0.818 447 A HN 0.349 nan 8.150 nan 0.000 0.443 448 V N 0.205 120.075 119.914 -0.073 0.000 2.261 448 V HA -0.276 3.868 4.120 0.039 0.000 0.246 448 V C 2.593 178.723 176.094 0.059 0.000 1.047 448 V CA 2.036 64.347 62.300 0.018 0.000 1.015 448 V CB -0.830 30.905 31.823 -0.147 0.000 0.642 448 V HN 0.579 nan 8.190 nan 0.000 0.446 449 L N 0.102 121.259 121.223 -0.109 0.000 2.012 449 L HA -0.217 4.147 4.340 0.039 0.000 0.210 449 L C 2.750 179.567 176.870 -0.088 0.000 1.073 449 L CA 1.808 56.523 54.840 -0.208 0.000 0.748 449 L CB -0.883 41.033 42.059 -0.238 0.000 0.891 449 L HN 0.379 nan 8.230 nan 0.000 0.431 450 A N 0.171 122.970 122.820 -0.036 0.000 1.902 450 A HA -0.134 4.210 4.320 0.039 0.000 0.217 450 A C 2.384 179.948 177.584 -0.034 0.000 1.181 450 A CA 1.825 53.853 52.037 -0.015 0.000 0.623 450 A CB -1.200 17.796 19.000 -0.006 0.000 0.818 450 A HN 0.469 nan 8.150 nan 0.000 0.443 451 G N -0.531 108.263 108.800 -0.009 0.000 2.421 451 G HA2 -0.048 3.936 3.960 0.039 0.000 0.217 451 G HA3 -0.048 3.936 3.960 0.039 0.000 0.217 451 G C 1.530 176.326 174.900 -0.172 0.000 1.143 451 G CA 0.816 45.772 45.100 -0.240 0.000 0.784 451 G HN 0.418 nan 8.290 nan 0.000 0.541 452 L N 0.115 121.401 121.223 0.105 0.000 2.083 452 L HA -0.043 4.321 4.340 0.039 0.000 0.209 452 L C 2.749 179.620 176.870 0.001 0.000 1.083 452 L CA 1.440 56.345 54.840 0.109 0.000 0.752 452 L CB -0.203 41.914 42.059 0.097 0.000 0.899 452 L HN 0.247 nan 8.230 nan 0.000 0.433 453 E N 0.295 120.475 120.200 -0.034 0.000 2.150 453 E HA -0.152 4.222 4.350 0.039 0.000 0.193 453 E C 1.697 178.266 176.600 -0.051 0.000 0.985 453 E CA 1.287 57.665 56.400 -0.037 0.000 0.814 453 E CB 0.074 29.757 29.700 -0.028 0.000 0.752 453 E HN 0.356 nan 8.360 nan 0.000 0.466 454 V N -2.340 117.527 119.914 -0.080 0.000 3.596 454 V HA 0.282 4.426 4.120 0.039 0.000 0.289 454 V C -0.051 175.965 176.094 -0.130 0.000 1.336 454 V CA -0.136 62.106 62.300 -0.096 0.000 1.137 454 V CB -0.385 31.379 31.823 -0.098 0.000 0.966 454 V HN 0.081 nan 8.190 nan 0.000 0.428 455 K N -0.224 120.099 120.400 -0.128 0.000 3.161 455 K HA -0.198 4.145 4.320 0.039 0.000 0.270 455 K C 0.685 177.158 176.600 -0.212 0.000 1.115 455 K CA 1.011 57.231 56.287 -0.111 0.000 0.789 455 K CB -2.344 30.118 32.500 -0.063 0.000 1.256 455 K HN 0.611 nan 8.250 nan 0.000 0.492 456 I N -1.003 119.312 120.570 -0.425 0.000 2.286 456 I HA -0.171 4.023 4.170 0.039 0.000 0.248 456 I C 1.190 176.908 176.117 -0.665 0.000 1.115 456 I CA 1.375 62.250 61.300 -0.709 0.000 1.392 456 I CB 0.002 37.271 38.000 -1.219 0.000 1.065 456 I HN 0.200 nan 8.210 nan 0.000 0.418 457 W N 0.607 121.896 121.300 -0.019 0.000 2.639 457 W HA 0.205 4.887 4.660 0.037 0.000 0.347 457 W C 1.049 177.560 176.519 -0.014 0.000 1.067 457 W CA -0.929 56.406 57.345 -0.016 0.000 1.218 457 W CB 0.369 29.817 29.460 -0.020 0.000 1.393 457 W HN -0.070 nan 8.180 nan 0.000 0.557 458 D N 0.854 121.385 120.400 0.219 0.000 2.133 458 D HA -0.162 4.501 4.640 0.039 0.000 0.192 458 D C 0.992 177.360 176.300 0.113 0.000 1.001 458 D CA 2.052 56.123 54.000 0.120 0.000 0.844 458 D CB 0.302 41.156 40.800 0.090 0.000 0.944 458 D HN 0.273 nan 8.370 nan 0.000 0.447 459 S N -2.279 113.506 115.700 0.143 0.000 2.655 459 S HA 0.195 4.689 4.470 0.039 0.000 0.266 459 S C 0.548 175.191 174.600 0.072 0.000 1.149 459 S CA -0.856 57.399 58.200 0.091 0.000 0.818 459 S CB 0.781 64.000 63.200 0.031 0.000 1.130 459 S HN 0.009 nan 8.310 nan 0.000 0.476 460 L N 0.886 122.116 121.223 0.011 0.000 2.042 460 L HA -0.130 4.234 4.340 0.039 0.000 0.210 460 L C 1.707 178.513 176.870 -0.106 0.000 1.076 460 L CA 2.386 57.178 54.840 -0.080 0.000 0.749 460 L CB -0.915 41.027 42.059 -0.195 0.000 0.893 460 L HN 0.856 nan 8.230 nan 0.000 0.432 461 D N -0.805 119.548 120.400 -0.078 0.000 2.178 461 D HA -0.181 4.482 4.640 0.039 0.000 0.201 461 D C 2.312 178.586 176.300 -0.043 0.000 0.980 461 D CA 1.409 55.378 54.000 -0.052 0.000 0.842 461 D CB 0.148 40.927 40.800 -0.035 0.000 0.948 461 D HN 0.417 nan 8.370 nan 0.000 0.472 462 S N -0.252 115.421 115.700 -0.044 0.000 2.399 462 S HA -0.150 4.344 4.470 0.039 0.000 0.231 462 S C 2.047 176.553 174.600 -0.157 0.000 1.022 462 S CA 1.254 59.420 58.200 -0.057 0.000 0.983 462 S CB -0.526 62.678 63.200 0.006 0.000 0.803 462 S HN 0.260 nan 8.310 nan 0.000 0.480 463 V N -1.150 118.614 119.914 -0.250 0.000 3.354 463 V HA 0.266 4.409 4.120 0.039 0.000 0.258 463 V C 2.037 178.034 176.094 -0.161 0.000 1.159 463 V CA 0.334 62.418 62.300 -0.361 0.000 1.125 463 V CB -0.754 30.640 31.823 -0.715 0.000 0.774 463 V HN 0.280 nan 8.190 nan 0.000 0.464 464 K N 2.533 122.900 120.400 -0.054 0.000 2.113 464 K HA -0.180 4.164 4.320 0.039 0.000 0.208 464 K C 2.524 179.139 176.600 0.025 0.000 1.047 464 K CA 2.039 58.357 56.287 0.052 0.000 0.928 464 K CB -0.441 32.122 32.500 0.106 0.000 0.716 464 K HN 0.747 nan 8.250 nan 0.000 0.446 465 S N 1.736 117.435 115.700 -0.000 0.000 2.356 465 S HA -0.173 4.321 4.470 0.039 0.000 0.223 465 S C 2.086 176.706 174.600 0.032 0.000 1.032 465 S CA 0.947 59.155 58.200 0.013 0.000 1.005 465 S CB -0.656 62.547 63.200 0.005 0.000 0.867 465 S HN 0.314 nan 8.310 nan 0.000 0.449 466 L N 1.070 122.300 121.223 0.012 0.000 1.989 466 L HA -0.025 4.338 4.340 0.039 0.000 0.211 466 L C 2.525 179.483 176.870 0.146 0.000 1.071 466 L CA 1.624 56.498 54.840 0.058 0.000 0.749 466 L CB -0.406 41.615 42.059 -0.063 0.000 0.890 466 L HN 0.351 nan 8.230 nan 0.000 0.431 467 L N -0.662 120.586 121.223 0.042 0.000 2.191 467 L HA -0.203 4.161 4.340 0.039 0.000 0.212 467 L C 2.449 179.399 176.870 0.133 0.000 1.103 467 L CA 1.077 55.966 54.840 0.081 0.000 0.769 467 L CB -0.476 41.569 42.059 -0.023 0.000 0.908 467 L HN 0.245 nan 8.230 nan 0.000 0.438 468 R N -0.424 120.120 120.500 0.073 0.000 2.310 468 R HA 0.087 4.451 4.340 0.039 0.000 0.202 468 R C 0.352 176.650 176.300 -0.004 0.000 0.933 468 R CA -0.156 55.956 56.100 0.019 0.000 1.054 468 R CB 0.139 30.444 30.300 0.008 0.000 0.985 468 R HN 0.297 nan 8.270 nan 0.000 0.489 469 R N 1.032 121.532 120.500 -0.000 0.000 2.537 469 R HA 0.068 4.431 4.340 0.039 0.000 0.280 469 R C -0.003 176.171 176.300 -0.209 0.000 1.058 469 R CA 0.309 56.347 56.100 -0.103 0.000 1.057 469 R CB 0.919 31.155 30.300 -0.107 0.000 0.973 469 R HN 0.063 nan 8.270 nan 0.000 0.438 470 S N -0.110 115.500 115.700 -0.150 0.000 2.599 470 S HA 0.293 4.786 4.470 0.039 0.000 0.294 470 S C -0.264 174.264 174.600 -0.121 0.000 1.094 470 S CA -0.894 57.224 58.200 -0.136 0.000 0.931 470 S CB 2.054 65.205 63.200 -0.081 0.000 1.093 470 S HN 0.712 nan 8.310 nan 0.000 0.488 471 D N -0.551 119.787 120.400 -0.104 0.000 2.520 471 D HA 0.451 5.114 4.640 0.039 0.000 0.223 471 D C 0.097 176.352 176.300 -0.075 0.000 1.186 471 D CA 0.099 54.050 54.000 -0.083 0.000 0.821 471 D CB 0.495 41.247 40.800 -0.080 0.000 1.072 471 D HN 0.827 nan 8.370 nan 0.000 0.518 472 A N -0.241 122.535 122.820 -0.073 0.000 2.589 472 A HA 0.639 4.982 4.320 0.039 0.000 0.296 472 A C -1.763 175.737 177.584 -0.140 0.000 1.062 472 A CA -0.660 51.298 52.037 -0.131 0.000 0.686 472 A CB 1.957 20.896 19.000 -0.101 0.000 1.282 472 A HN 0.033 nan 8.150 nan 0.000 0.404 473 V N 1.579 121.328 119.914 -0.275 0.000 2.638 473 V HA 0.602 4.745 4.120 0.039 0.000 0.306 473 V C -1.307 174.523 176.094 -0.439 0.000 1.052 473 V CA -0.312 61.849 62.300 -0.231 0.000 0.885 473 V CB 1.490 33.218 31.823 -0.159 0.000 0.999 473 V HN 0.727 nan 8.190 nan 0.000 0.424 474 F N 3.033 122.894 119.950 -0.148 0.000 2.469 474 F HA 0.670 5.220 4.527 0.039 0.000 0.332 474 F C 0.277 175.942 175.800 -0.224 0.000 1.103 474 F CA -0.371 57.553 58.000 -0.126 0.000 0.979 474 F CB 1.489 40.422 39.000 -0.111 0.000 1.137 474 F HN 0.490 nan 8.300 nan 0.000 0.463 475 H N -0.661 118.464 119.070 0.091 0.000 2.797 475 H HA 0.349 4.929 4.556 0.040 0.000 0.372 475 H C -0.663 174.685 175.328 0.033 0.000 1.168 475 H CA -0.897 55.175 56.048 0.041 0.000 1.163 475 H CB 1.987 31.752 29.762 0.005 0.000 1.778 475 H HN 0.565 nan 8.280 nan 0.000 0.551 476 S N 0.783 116.575 115.700 0.153 0.000 2.537 476 S HA 0.025 4.519 4.470 0.039 0.000 0.286 476 S C 0.398 175.025 174.600 0.045 0.000 1.299 476 S CA -0.138 58.093 58.200 0.052 0.000 1.067 476 S CB 0.249 63.456 63.200 0.013 0.000 0.864 476 S HN 0.667 nan 8.310 nan 0.000 0.494 477 K N 3.502 123.916 120.400 0.023 0.000 2.455 477 K HA 0.255 4.599 4.320 0.039 0.000 0.206 477 K C 0.013 176.614 176.600 0.002 0.000 1.027 477 K CA -0.069 56.229 56.287 0.019 0.000 1.113 477 K CB 0.415 32.935 32.500 0.034 0.000 0.850 477 K HN 0.621 nan 8.250 nan 0.000 0.503 478 M N 2.613 122.202 119.600 -0.018 0.000 2.364 478 M HA 0.137 4.640 4.480 0.039 0.000 0.334 478 M C -0.922 175.367 176.300 -0.019 0.000 1.107 478 M CA -0.728 54.557 55.300 -0.026 0.000 0.988 478 M CB 1.140 33.699 32.600 -0.069 0.000 1.673 478 M HN 0.124 nan 8.290 nan 0.000 0.441 479 D N 2.265 122.660 120.400 -0.007 0.000 2.357 479 D HA -0.031 4.633 4.640 0.039 0.000 0.242 479 D C 0.020 176.317 176.300 -0.006 0.000 1.153 479 D CA -0.174 53.823 54.000 -0.005 0.000 0.918 479 D CB 1.021 41.822 40.800 0.002 0.000 1.181 479 D HN 0.794 nan 8.370 nan 0.000 0.435 480 D N 0.663 121.061 120.400 -0.004 0.000 2.149 480 D HA -0.245 4.419 4.640 0.039 0.000 0.198 480 D C 1.894 178.197 176.300 0.005 0.000 0.990 480 D CA 1.529 55.528 54.000 -0.002 0.000 0.839 480 D CB 0.074 40.874 40.800 0.000 0.000 0.948 480 D HN 0.523 nan 8.370 nan 0.000 0.460 481 K N 0.102 120.507 120.400 0.008 0.000 2.103 481 K HA -0.136 4.207 4.320 0.039 0.000 0.204 481 K C 2.109 178.722 176.600 0.022 0.000 1.052 481 K CA 0.923 57.219 56.287 0.014 0.000 0.945 481 K CB -0.029 32.479 32.500 0.013 0.000 0.722 481 K HN 0.006 nan 8.250 nan 0.000 0.443 482 K N 0.818 121.231 120.400 0.022 0.000 2.103 482 K HA -0.132 4.212 4.320 0.039 0.000 0.204 482 K C 2.276 178.899 176.600 0.039 0.000 1.052 482 K CA 0.892 57.200 56.287 0.034 0.000 0.945 482 K CB -0.034 32.484 32.500 0.031 0.000 0.722 482 K HN 0.043 nan 8.250 nan 0.000 0.443 483 R N 0.679 121.187 120.500 0.014 0.000 2.073 483 R HA -0.113 4.250 4.340 0.039 0.000 0.234 483 R C 1.989 178.316 176.300 0.046 0.000 1.134 483 R CA 1.328 57.431 56.100 0.005 0.000 0.952 483 R CB -0.014 30.266 30.300 -0.035 0.000 0.850 483 R HN -0.029 nan 8.270 nan 0.000 0.433 484 K N 1.169 121.590 120.400 0.036 0.000 2.063 484 K HA -0.197 4.147 4.320 0.039 0.000 0.208 484 K C 1.974 178.605 176.600 0.052 0.000 1.048 484 K CA 1.545 57.857 56.287 0.041 0.000 0.928 484 K CB -0.221 32.295 32.500 0.026 0.000 0.713 484 K HN 0.262 nan 8.250 nan 0.000 0.442 485 K N 1.164 121.596 120.400 0.054 0.000 2.057 485 K HA -0.117 4.226 4.320 0.039 0.000 0.206 485 K C 1.886 178.533 176.600 0.077 0.000 1.050 485 K CA 1.257 57.576 56.287 0.053 0.000 0.935 485 K CB 0.086 32.616 32.500 0.050 0.000 0.715 485 K HN -0.005 nan 8.250 nan 0.000 0.439 486 K N 0.074 120.550 120.400 0.126 0.000 2.057 486 K HA -0.109 4.235 4.320 0.039 0.000 0.207 486 K C 2.224 178.922 176.600 0.163 0.000 1.049 486 K CA 1.981 58.398 56.287 0.216 0.000 0.931 486 K CB -0.228 32.488 32.500 0.359 0.000 0.714 486 K HN 0.426 nan 8.250 nan 0.000 0.440 487 T N -1.476 113.189 114.554 0.184 0.000 2.904 487 T HA -0.082 4.292 4.350 0.039 0.000 0.267 487 T C 2.148 176.893 174.700 0.074 0.000 1.059 487 T CA 1.434 63.627 62.100 0.154 0.000 1.137 487 T CB -0.114 68.860 68.868 0.177 0.000 0.879 487 T HN 0.032 nan 8.240 nan 0.000 0.467 488 S N 1.391 117.118 115.700 0.045 0.000 2.370 488 S HA -0.175 4.319 4.470 0.039 0.000 0.226 488 S C 2.085 176.660 174.600 -0.042 0.000 1.033 488 S CA 1.655 59.857 58.200 0.003 0.000 1.011 488 S CB -0.479 62.723 63.200 0.003 0.000 0.852 488 S HN 0.721 nan 8.310 nan 0.000 0.457 489 E N 0.150 120.327 120.200 -0.039 0.000 2.051 489 E HA -0.152 4.221 4.350 0.039 0.000 0.192 489 E C 1.835 178.351 176.600 -0.140 0.000 0.991 489 E CA 1.208 57.564 56.400 -0.073 0.000 0.799 489 E CB -0.363 29.325 29.700 -0.019 0.000 0.748 489 E HN 0.762 nan 8.360 nan 0.000 0.449 490 W N 2.154 123.189 121.300 -0.442 0.000 2.335 490 W HA -0.214 4.469 4.660 0.039 0.000 0.311 490 W C 1.366 177.691 176.519 -0.323 0.000 1.213 490 W CA 1.300 58.309 57.345 -0.560 0.000 1.274 490 W CB -0.283 28.494 29.460 -1.139 0.000 1.148 490 W HN 0.061 nan 8.180 nan 0.000 0.498 491 N N 0.877 119.431 118.700 -0.244 0.000 2.166 491 N HA -0.172 4.592 4.740 0.039 0.000 0.186 491 N C 1.663 176.977 175.510 -0.327 0.000 1.019 491 N CA 1.913 54.797 53.050 -0.276 0.000 0.856 491 N CB -0.612 37.827 38.487 -0.078 0.000 0.993 491 N HN 0.318 nan 8.380 nan 0.000 0.426 492 K N 0.708 120.943 120.400 -0.275 0.000 2.057 492 K HA 0.053 4.397 4.320 0.039 0.000 0.206 492 K C 2.096 178.447 176.600 -0.415 0.000 1.050 492 K CA 1.098 57.217 56.287 -0.279 0.000 0.935 492 K CB -0.134 32.235 32.500 -0.218 0.000 0.715 492 K HN 0.103 nan 8.250 nan 0.000 0.439 493 A N 1.169 123.676 122.820 -0.522 0.000 1.908 493 A HA -0.149 4.195 4.320 0.039 0.000 0.218 493 A C 2.375 179.572 177.584 -0.645 0.000 1.181 493 A CA 1.604 53.196 52.037 -0.741 0.000 0.627 493 A CB -0.725 17.918 19.000 -0.595 0.000 0.818 493 A HN 0.081 nan 8.150 nan 0.000 0.445 494 V N -0.181 119.319 119.914 -0.689 0.000 2.358 494 V HA -0.253 3.891 4.120 0.039 0.000 0.246 494 V C 2.472 178.365 176.094 -0.335 0.000 1.047 494 V CA 2.214 64.179 62.300 -0.558 0.000 1.035 494 V CB -0.754 30.668 31.823 -0.668 0.000 0.658 494 V HN 0.778 nan 8.190 nan 0.000 0.452 495 E N 0.324 120.340 120.200 -0.307 0.000 2.085 495 E HA -0.261 4.112 4.350 0.039 0.000 0.194 495 E C 2.455 178.944 176.600 -0.185 0.000 0.994 495 E CA 1.462 57.738 56.400 -0.206 0.000 0.801 495 E CB -0.072 29.520 29.700 -0.180 0.000 0.743 495 E HN 0.501 nan 8.360 nan 0.000 0.453 496 R N -0.520 119.828 120.500 -0.255 0.000 2.096 496 R HA -0.088 4.275 4.340 0.039 0.000 0.235 496 R C 2.382 178.639 176.300 -0.072 0.000 1.127 496 R CA 1.794 57.775 56.100 -0.198 0.000 0.968 496 R CB -0.286 29.783 30.300 -0.385 0.000 0.861 496 R HN 0.194 nan 8.270 nan 0.000 0.440 497 T N 0.883 115.392 114.554 -0.075 0.000 2.951 497 T HA 0.002 4.376 4.350 0.039 0.000 0.268 497 T C 1.631 176.306 174.700 -0.042 0.000 1.073 497 T CA 0.865 62.962 62.100 -0.005 0.000 1.134 497 T CB 0.110 68.959 68.868 -0.032 0.000 0.884 497 T HN 0.154 nan 8.240 nan 0.000 0.479 498 L N -0.234 120.948 121.223 -0.068 0.000 2.609 498 L HA 0.460 4.824 4.340 0.039 0.000 0.230 498 L C 0.815 177.664 176.870 -0.036 0.000 1.087 498 L CA -0.233 54.577 54.840 -0.050 0.000 0.874 498 L CB 0.283 42.307 42.059 -0.059 0.000 1.114 498 L HN 0.235 nan 8.230 nan 0.000 0.488 499 I N 1.346 121.890 120.570 -0.044 0.000 2.618 499 I HA -0.076 4.118 4.170 0.039 0.000 0.284 499 I C 0.194 176.300 176.117 -0.018 0.000 1.146 499 I CA 0.145 61.424 61.300 -0.034 0.000 1.425 499 I CB 0.636 38.609 38.000 -0.045 0.000 1.383 499 I HN 0.213 nan 8.210 nan 0.000 0.562 500 Q N 7.507 127.300 119.800 -0.011 0.000 2.337 500 Q HA 0.427 4.791 4.340 0.039 0.000 0.255 500 Q C -0.962 175.036 176.000 -0.004 0.000 0.997 500 Q CA -0.127 55.675 55.803 -0.002 0.000 0.925 500 Q CB 1.232 29.973 28.738 0.005 0.000 1.212 500 Q HN 0.602 nan 8.270 nan 0.000 0.436 501 L N 0.000 121.221 121.223 -0.003 0.000 2.949 501 L HA 0.000 4.364 4.340 0.039 0.000 0.249 501 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 501 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 501 L HN 0.000 nan 8.230 nan 0.000 0.502