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 3aes_1_B DATA FIRST_RESID 2 DATA SEQUENCE KLTLWTYEGP PHVGAXRVAT AXKDLQLVLH GPQGDTYADL LFTXIERRNA DATA SEQUENCE RPPVSFSTFE ASHXGTDTAI LLKDALAAAH ARYKPQAXAV ALTCTAELLQ DATA SEQUENCE DDPNGISRAL NLPVPVVPLE LPSYSRKENY GADETFRALV RALAVPXERT DATA SEQUENCE PEVTCNLLGA TALGFRHRDD VAEVTKLLAT XGIKVNVCAP LGASPDDLRK DATA SEQUENCE LGQAHFNVLX YPETGESAAR HLERACKQPF TKIVPIGVGA TRDFLAEVSK DATA SEQUENCE ITGLPVVTDE STLRQPWWSA SVDSTYLTGK RVFIFGDGTH VIAAARIAAK DATA SEQUENCE EVGFEVVGXG CYNREXARPL RTAAAEYGLE ALITDDYLEV EKAIEAAAPE DATA SEQUENCE LILGTQXERN IAKKLGLPCA VISAPVHVQD FPARYAPQXG FEGANVLFDT DATA SEQUENCE WVHPLVXGLE EHLLTXFRE 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.629 176.600 0.048 0.000 0.988 2 K CA 0.000 56.316 56.287 0.049 0.000 0.838 2 K CB 0.000 32.535 32.500 0.059 0.000 1.064 3 L N 2.956 124.204 121.223 0.043 0.000 2.534 3 L HA 0.164 4.504 4.340 0.000 0.000 0.271 3 L C -0.839 176.069 176.870 0.062 0.000 1.178 3 L CA 1.247 56.113 54.840 0.044 0.000 0.907 3 L CB 0.393 42.473 42.059 0.036 0.000 1.164 3 L HN 0.675 nan 8.230 nan 0.000 0.482 4 T N 6.423 121.014 114.554 0.062 0.000 2.840 4 T HA 0.266 4.616 4.350 0.000 0.000 0.287 4 T C 0.450 175.196 174.700 0.076 0.000 0.991 4 T CA -0.450 61.698 62.100 0.081 0.000 0.964 4 T CB 2.260 71.157 68.868 0.047 0.000 0.954 4 T HN 0.552 nan 8.240 nan 0.000 0.438 5 L N 2.631 123.941 121.223 0.145 0.000 2.416 5 L HA 0.562 4.902 4.340 0.000 0.000 0.188 5 L C 0.264 177.171 176.870 0.061 0.000 1.145 5 L CA 0.388 55.290 54.840 0.104 0.000 0.826 5 L CB -0.022 42.127 42.059 0.151 0.000 1.064 5 L HN 0.681 nan 8.230 nan 0.000 0.490 6 W N 1.305 122.520 121.300 -0.143 0.000 2.376 6 W HA 0.453 5.113 4.660 0.000 0.000 0.322 6 W C -1.001 175.427 176.519 -0.152 0.000 1.160 6 W CA -0.292 56.876 57.345 -0.295 0.000 1.218 6 W CB 1.160 30.215 29.460 -0.676 0.000 1.205 6 W HN 0.124 nan 8.180 nan 0.000 0.559 7 T N 5.098 119.095 114.554 -0.929 0.000 2.879 7 T HA 0.277 4.627 4.350 0.000 0.000 0.290 7 T C 0.134 174.208 174.700 -1.043 0.000 0.993 7 T CA -0.337 61.373 62.100 -0.650 0.000 0.975 7 T CB 0.749 69.403 68.868 -0.358 0.000 0.981 7 T HN 0.374 nan 8.240 nan 0.000 0.439 8 Y N 2.443 122.429 120.300 -0.524 0.000 2.395 8 Y HA 0.271 4.821 4.550 0.000 0.000 0.293 8 Y C 1.418 176.998 175.900 -0.533 0.000 1.123 8 Y CA 0.411 58.195 58.100 -0.526 0.000 1.227 8 Y CB 0.483 38.514 38.460 -0.714 0.000 1.012 8 Y HN 0.549 nan 8.280 nan 0.000 0.552 9 E N -1.145 118.929 120.200 -0.211 0.000 2.293 9 E HA 0.418 4.768 4.350 0.000 0.000 0.270 9 E C -0.074 176.445 176.600 -0.135 0.000 0.879 9 E CA -0.620 55.706 56.400 -0.123 0.000 0.756 9 E CB 1.925 31.632 29.700 0.012 0.000 1.208 9 E HN 0.175 nan 8.360 nan 0.000 0.428 10 G N 1.879 110.604 108.800 -0.125 0.000 2.508 10 G HA2 0.359 4.319 3.960 0.000 0.000 0.278 10 G HA3 0.359 4.319 3.960 0.000 0.000 0.278 10 G C -2.320 172.518 174.900 -0.104 0.000 1.389 10 G CA -0.785 44.240 45.100 -0.124 0.000 1.050 10 G HN 0.287 nan 8.290 nan 0.000 0.522 11 P HA 0.220 nan 4.420 nan 0.000 0.276 11 P C -2.041 175.171 177.300 -0.147 0.000 1.252 11 P CA -1.443 61.567 63.100 -0.150 0.000 0.802 11 P CB 1.582 33.161 31.700 -0.203 0.000 1.035 12 P HA -0.189 nan 4.420 nan 0.000 0.220 12 P C 1.561 178.875 177.300 0.023 0.000 1.148 12 P CA 1.697 64.824 63.100 0.045 0.000 0.803 12 P CB -0.694 31.099 31.700 0.154 0.000 0.782 13 H N -0.644 118.452 119.070 0.044 0.000 2.456 13 H HA -0.008 4.548 4.556 0.000 0.000 0.296 13 H C 1.479 176.825 175.328 0.029 0.000 1.079 13 H CA 0.724 56.789 56.048 0.028 0.000 1.322 13 H CB -1.019 28.765 29.762 0.035 0.000 1.388 13 H HN -0.063 nan 8.280 nan 0.000 0.538 14 V N 1.557 121.297 119.914 -0.290 0.000 2.515 14 V HA -0.137 3.983 4.120 0.000 0.000 0.250 14 V C 2.990 179.104 176.094 0.034 0.000 1.058 14 V CA 1.590 63.833 62.300 -0.096 0.000 1.064 14 V CB -0.817 30.900 31.823 -0.176 0.000 0.675 14 V HN 0.696 nan 8.190 nan 0.000 0.461 15 G N -0.236 108.566 108.800 0.004 0.000 2.402 15 G HA2 -0.037 3.923 3.960 0.000 0.000 0.216 15 G HA3 -0.037 3.923 3.960 0.000 0.000 0.216 15 G C 0.988 175.909 174.900 0.035 0.000 1.162 15 G CA 0.689 45.809 45.100 0.033 0.000 0.777 15 G HN 0.647 nan 8.290 nan 0.000 0.539 19 V N 0.932 120.844 119.914 -0.004 0.000 2.599 19 V HA 0.163 4.283 4.120 0.000 0.000 0.245 19 V C 2.254 178.309 176.094 -0.064 0.000 1.046 19 V CA 1.807 64.084 62.300 -0.039 0.000 1.065 19 V CB 0.260 32.079 31.823 -0.007 0.000 0.703 19 V HN 0.449 nan 8.190 nan 0.000 0.464 20 A N 0.264 123.026 122.820 -0.097 0.000 1.873 20 A HA -0.191 4.129 4.320 0.000 0.000 0.215 20 A C 2.377 179.857 177.584 -0.173 0.000 1.186 20 A CA 2.428 54.386 52.037 -0.131 0.000 0.616 20 A CB -1.006 17.895 19.000 -0.165 0.000 0.823 20 A HN 0.476 nan 8.150 nan 0.000 0.442 21 T N 0.705 115.101 114.554 -0.263 0.000 2.833 21 T HA 0.186 4.536 4.350 0.000 0.000 0.269 21 T C 1.304 175.923 174.700 -0.134 0.000 1.054 21 T CA 0.784 62.706 62.100 -0.297 0.000 1.135 21 T CB -0.594 67.906 68.868 -0.614 0.000 0.869 21 T HN 0.660 nan 8.240 nan 0.000 0.466 25 D N 0.276 120.657 120.400 -0.032 0.000 2.737 25 D HA -0.207 4.433 4.640 0.000 0.000 0.233 25 D C -0.700 175.589 176.300 -0.020 0.000 1.155 25 D CA 1.460 55.449 54.000 -0.018 0.000 0.667 25 D CB -0.674 40.127 40.800 0.002 0.000 1.060 25 D HN 0.477 nan 8.370 nan 0.000 0.427 26 L N -0.011 121.184 121.223 -0.047 0.000 2.409 26 L HA 0.281 4.621 4.340 0.000 0.000 0.272 26 L C -0.867 175.950 176.870 -0.089 0.000 0.980 26 L CA -0.589 54.224 54.840 -0.046 0.000 0.826 26 L CB 1.802 43.842 42.059 -0.033 0.000 1.268 26 L HN -0.248 nan 8.230 nan 0.000 0.407 27 Q N 4.164 123.919 119.800 -0.075 0.000 2.271 27 Q HA 0.417 4.757 4.340 0.000 0.000 0.258 27 Q C -1.217 174.720 176.000 -0.105 0.000 0.936 27 Q CA -0.682 55.053 55.803 -0.114 0.000 0.909 27 Q CB 2.594 31.287 28.738 -0.076 0.000 1.253 27 Q HN 0.597 nan 8.270 nan 0.000 0.440 28 L N 3.042 124.176 121.223 -0.149 0.000 2.282 28 L HA 0.445 4.785 4.340 0.000 0.000 0.288 28 L C -1.175 175.581 176.870 -0.189 0.000 1.033 28 L CA -0.521 54.226 54.840 -0.154 0.000 0.807 28 L CB 1.634 43.589 42.059 -0.174 0.000 1.209 28 L HN 0.309 nan 8.230 nan 0.000 0.423 29 V N 6.823 126.641 119.914 -0.160 0.000 2.378 29 V HA 0.436 4.556 4.120 0.000 0.000 0.288 29 V C -0.143 175.830 176.094 -0.201 0.000 1.016 29 V CA -0.496 61.700 62.300 -0.174 0.000 0.840 29 V CB 1.490 33.260 31.823 -0.088 0.000 0.994 29 V HN 0.608 nan 8.190 nan 0.000 0.431 30 L N 4.335 125.343 121.223 -0.358 0.000 2.296 30 L HA 0.498 4.838 4.340 0.000 0.000 0.286 30 L C -0.172 176.644 176.870 -0.091 0.000 1.023 30 L CA -0.850 53.792 54.840 -0.330 0.000 0.812 30 L CB 1.217 42.852 42.059 -0.707 0.000 1.223 30 L HN 0.599 nan 8.230 nan 0.000 0.421 31 H N 2.588 121.627 119.070 -0.052 0.000 3.015 31 H HA 0.560 5.116 4.556 0.000 0.000 0.268 31 H C -0.032 175.382 175.328 0.143 0.000 1.113 31 H CA -0.056 56.051 56.048 0.099 0.000 1.479 31 H CB 0.435 30.285 29.762 0.147 0.000 1.493 31 H HN 0.709 nan 8.280 nan 0.000 0.486 32 G N 4.738 113.504 108.800 -0.057 0.000 2.559 32 G HA2 0.285 4.245 3.960 0.000 0.000 0.291 32 G HA3 0.285 4.245 3.960 0.000 0.000 0.291 32 G C -3.233 171.027 174.900 -1.066 0.000 1.424 32 G CA -1.372 43.510 45.100 -0.364 0.000 0.786 32 G HN 0.377 nan 8.290 nan 0.000 0.485 33 P HA 0.194 nan 4.420 nan 0.000 0.277 33 P C -0.309 176.695 177.300 -0.494 0.000 1.240 33 P CA -0.325 62.233 63.100 -0.904 0.000 0.798 33 P CB 1.187 32.639 31.700 -0.414 0.000 0.979 34 Q N 0.790 120.383 119.800 -0.345 0.000 2.368 34 Q HA 0.106 4.446 4.340 0.000 0.000 0.331 34 Q C 1.005 176.879 176.000 -0.210 0.000 1.086 34 Q CA 1.776 57.444 55.803 -0.225 0.000 1.031 34 Q CB -0.577 28.090 28.738 -0.118 0.000 1.125 34 Q HN 0.884 nan 8.270 nan 0.000 0.389 35 G N 3.720 112.389 108.800 -0.219 0.000 2.307 35 G HA2 -0.204 3.756 3.960 0.000 0.000 0.210 35 G HA3 -0.204 3.756 3.960 0.000 0.000 0.210 35 G C 0.431 175.254 174.900 -0.128 0.000 1.005 35 G CA 0.169 45.184 45.100 -0.142 0.000 0.634 35 G HN 0.707 nan 8.290 nan 0.000 0.496 36 D N 1.319 121.497 120.400 -0.369 0.000 2.363 36 D HA 0.087 4.727 4.640 0.000 0.000 0.220 36 D C 2.622 178.453 176.300 -0.781 0.000 0.994 36 D CA 1.519 55.263 54.000 -0.426 0.000 0.890 36 D CB -0.245 40.249 40.800 -0.510 0.000 0.906 36 D HN 0.628 nan 8.370 nan 0.000 0.530 37 T N -1.626 112.468 114.554 -0.767 0.000 3.051 37 T HA -0.209 4.141 4.350 0.000 0.000 0.269 37 T C 2.047 176.612 174.700 -0.226 0.000 1.127 37 T CA 0.545 62.359 62.100 -0.476 0.000 1.107 37 T CB -0.863 67.840 68.868 -0.275 0.000 0.898 37 T HN 0.395 nan 8.240 nan 0.000 0.517 38 Y N 1.732 121.952 120.300 -0.133 0.000 2.348 38 Y HA 0.060 4.610 4.550 0.000 0.000 0.285 38 Y C 2.395 178.291 175.900 -0.007 0.000 1.173 38 Y CA 0.226 58.288 58.100 -0.063 0.000 1.263 38 Y CB -1.014 37.401 38.460 -0.075 0.000 0.974 38 Y HN 0.279 nan 8.280 nan 0.000 0.547 39 A N 0.772 123.124 122.820 -0.781 0.000 2.014 39 A HA -0.136 4.184 4.320 0.000 0.000 0.218 39 A C 1.820 179.418 177.584 0.023 0.000 1.163 39 A CA 1.334 53.113 52.037 -0.431 0.000 0.652 39 A CB -0.634 18.142 19.000 -0.372 0.000 0.808 39 A HN 0.552 nan 8.150 nan 0.000 0.449 40 D N 0.169 120.604 120.400 0.058 0.000 2.158 40 D HA -0.165 4.475 4.640 0.000 0.000 0.197 40 D C 1.667 178.050 176.300 0.138 0.000 0.995 40 D CA 0.989 55.083 54.000 0.155 0.000 0.846 40 D CB -0.307 40.532 40.800 0.065 0.000 0.941 40 D HN 0.301 nan 8.370 nan 0.000 0.456 41 L N 0.457 121.715 121.223 0.058 0.000 2.021 41 L HA -0.215 4.125 4.340 0.000 0.000 0.215 41 L C 2.359 179.211 176.870 -0.031 0.000 1.074 41 L CA 1.077 55.931 54.840 0.024 0.000 0.760 41 L CB -0.881 41.200 42.059 0.036 0.000 0.889 41 L HN 0.074 nan 8.230 nan 0.000 0.433 42 L N -1.597 119.570 121.223 -0.092 0.000 2.013 42 L HA -0.240 4.100 4.340 0.000 0.000 0.212 42 L C 2.368 178.999 176.870 -0.399 0.000 1.073 42 L CA 1.934 56.587 54.840 -0.312 0.000 0.753 42 L CB -1.170 40.572 42.059 -0.527 0.000 0.890 42 L HN 0.165 nan 8.230 nan 0.000 0.432 43 F N -0.956 118.909 119.950 -0.142 0.000 2.335 43 F HA -0.010 4.517 4.527 0.000 0.000 0.296 43 F C 1.799 177.517 175.800 -0.137 0.000 1.091 43 F CA 0.535 58.441 58.000 -0.155 0.000 1.399 43 F CB -1.020 37.908 39.000 -0.119 0.000 1.067 43 F HN 0.105 nan 8.300 nan 0.000 0.520 47 E N 1.807 121.715 120.200 -0.488 0.000 2.489 47 E HA 0.073 4.423 4.350 0.000 0.000 0.193 47 E C 0.172 176.709 176.600 -0.105 0.000 1.057 47 E CA 0.021 56.211 56.400 -0.350 0.000 0.866 47 E CB 0.429 29.964 29.700 -0.275 0.000 0.916 47 E HN 0.156 nan 8.360 nan 0.000 0.500 48 R N 1.023 121.469 120.500 -0.090 0.000 3.531 48 R HA -0.165 4.175 4.340 0.000 0.000 0.280 48 R C -0.815 175.480 176.300 -0.009 0.000 1.130 48 R CA 0.339 56.419 56.100 -0.033 0.000 0.757 48 R CB -1.804 28.490 30.300 -0.010 0.000 1.218 48 R HN 0.042 nan 8.270 nan 0.000 0.454 49 R N 0.209 120.706 120.500 -0.006 0.000 2.539 49 R HA 0.094 4.434 4.340 0.000 0.000 0.275 49 R C 1.287 177.590 176.300 0.006 0.000 1.077 49 R CA 0.259 56.364 56.100 0.009 0.000 1.097 49 R CB 0.372 30.686 30.300 0.023 0.000 1.018 49 R HN 0.403 nan 8.270 nan 0.000 0.483 50 N N 0.776 119.479 118.700 0.006 0.000 2.398 50 N HA 0.046 4.786 4.740 0.000 0.000 0.188 50 N C -0.655 174.856 175.510 0.001 0.000 1.122 50 N CA 0.076 53.129 53.050 0.005 0.000 0.866 50 N CB 0.728 39.219 38.487 0.007 0.000 0.970 50 N HN 0.452 nan 8.380 nan 0.000 0.462 51 A N -0.243 122.574 122.820 -0.006 0.000 2.594 51 A HA 0.623 4.943 4.320 0.000 0.000 0.291 51 A C -0.693 176.874 177.584 -0.028 0.000 1.105 51 A CA -0.953 51.075 52.037 -0.014 0.000 0.694 51 A CB 1.221 20.207 19.000 -0.024 0.000 1.291 51 A HN 0.135 nan 8.150 nan 0.000 0.410 52 R N 0.643 121.122 120.500 -0.035 0.000 2.537 52 R HA 0.331 4.671 4.340 0.000 0.000 0.280 52 R C -2.338 173.890 176.300 -0.120 0.000 1.058 52 R CA -1.123 54.945 56.100 -0.054 0.000 1.057 52 R CB -0.103 30.175 30.300 -0.036 0.000 0.973 52 R HN 0.413 nan 8.270 nan 0.000 0.438 53 P HA -0.017 nan 4.420 nan 0.000 0.264 53 P C -2.183 174.954 177.300 -0.272 0.000 1.183 53 P CA -0.816 62.118 63.100 -0.278 0.000 0.763 53 P CB 0.214 31.686 31.700 -0.380 0.000 0.807 54 P HA 0.027 nan 4.420 nan 0.000 0.232 54 P C -0.786 176.338 177.300 -0.294 0.000 1.738 54 P CA 0.544 63.446 63.100 -0.330 0.000 0.948 54 P CB -0.011 31.517 31.700 -0.286 0.000 1.943 55 V N 0.462 120.217 119.914 -0.264 0.000 2.841 55 V HA 0.556 4.676 4.120 0.000 0.000 0.310 55 V C -0.008 175.972 176.094 -0.189 0.000 1.090 55 V CA -0.485 61.661 62.300 -0.257 0.000 0.930 55 V CB 2.409 34.072 31.823 -0.268 0.000 1.014 55 V HN 0.408 nan 8.190 nan 0.000 0.425 56 S N 2.840 118.394 115.700 -0.244 0.000 2.579 56 S HA 0.864 5.334 4.470 0.000 0.000 0.272 56 S C -1.420 173.013 174.600 -0.280 0.000 1.141 56 S CA -0.692 57.442 58.200 -0.110 0.000 0.843 56 S CB 1.931 65.122 63.200 -0.015 0.000 1.122 56 S HN 0.305 nan 8.310 nan 0.000 0.468 57 F N 1.447 121.366 119.950 -0.052 0.000 2.508 57 F HA 0.499 5.027 4.527 0.000 0.000 0.325 57 F C 1.869 177.653 175.800 -0.028 0.000 1.090 57 F CA -0.555 57.406 58.000 -0.064 0.000 0.945 57 F CB 2.271 41.196 39.000 -0.124 0.000 1.156 57 F HN 0.836 nan 8.300 nan 0.000 0.463 58 S N -0.412 115.399 115.700 0.185 0.000 2.400 58 S HA -0.162 4.308 4.470 0.000 0.000 0.232 58 S C 0.787 175.462 174.600 0.126 0.000 1.025 58 S CA 1.157 59.478 58.200 0.202 0.000 0.993 58 S CB -0.975 62.489 63.200 0.440 0.000 0.808 58 S HN 0.867 nan 8.310 nan 0.000 0.478 59 T N 1.679 116.235 114.554 0.004 0.000 4.290 59 T HA -0.174 4.176 4.350 0.000 0.000 0.334 59 T C -0.043 174.611 174.700 -0.078 0.000 0.761 59 T CA 0.797 62.835 62.100 -0.103 0.000 1.950 59 T CB -2.996 65.859 68.868 -0.021 0.000 1.898 59 T HN 0.743 nan 8.240 nan 0.000 0.906 60 F N 0.666 120.641 119.950 0.043 0.000 2.506 60 F HA 0.637 5.164 4.527 0.000 0.000 0.351 60 F C 0.592 176.413 175.800 0.035 0.000 1.136 60 F CA -0.672 57.355 58.000 0.045 0.000 1.298 60 F CB 0.683 39.709 39.000 0.044 0.000 1.145 60 F HN 0.290 nan 8.300 nan 0.000 0.593 61 E N 3.072 123.467 120.200 0.325 0.000 2.459 61 E HA 0.497 4.847 4.350 0.000 0.000 0.275 61 E C 0.271 177.000 176.600 0.215 0.000 0.987 61 E CA -0.467 56.069 56.400 0.226 0.000 0.828 61 E CB 0.989 30.760 29.700 0.118 0.000 1.428 61 E HN 0.728 nan 8.360 nan 0.000 0.457 62 A N 0.930 123.833 122.820 0.138 0.000 1.958 62 A HA -0.227 4.093 4.320 0.000 0.000 0.221 62 A C 1.961 179.576 177.584 0.053 0.000 1.178 62 A CA 3.253 55.342 52.037 0.086 0.000 0.642 62 A CB -1.061 17.971 19.000 0.055 0.000 0.816 62 A HN 0.766 nan 8.150 nan 0.000 0.453 63 S N -1.821 113.913 115.700 0.057 0.000 2.593 63 S HA 0.127 4.597 4.470 0.000 0.000 0.217 63 S C 0.647 175.069 174.600 -0.297 0.000 0.966 63 S CA -0.183 57.969 58.200 -0.080 0.000 0.914 63 S CB -0.284 62.874 63.200 -0.071 0.000 0.776 63 S HN 0.673 nan 8.310 nan 0.000 0.523 67 T N -0.930 113.624 114.554 0.001 0.000 3.051 67 T HA 0.022 4.372 4.350 0.000 0.000 0.269 67 T C 1.262 175.982 174.700 0.033 0.000 1.127 67 T CA 2.119 64.226 62.100 0.012 0.000 1.107 67 T CB -0.159 68.715 68.868 0.011 0.000 0.898 67 T HN 0.182 nan 8.240 nan 0.000 0.517 68 D N 1.957 122.388 120.400 0.053 0.000 2.269 68 D HA -0.041 4.599 4.640 0.000 0.000 0.208 68 D C 2.513 178.882 176.300 0.115 0.000 0.963 68 D CA 1.607 55.668 54.000 0.102 0.000 0.864 68 D CB -0.415 40.488 40.800 0.172 0.000 0.936 68 D HN 0.736 nan 8.370 nan 0.000 0.505 69 T N -1.331 113.272 114.554 0.082 0.000 2.777 69 T HA -0.042 4.308 4.350 0.000 0.000 0.266 69 T C 2.143 176.943 174.700 0.167 0.000 1.040 69 T CA 1.297 63.480 62.100 0.139 0.000 1.141 69 T CB -0.374 68.465 68.868 -0.049 0.000 0.868 69 T HN 0.048 nan 8.240 nan 0.000 0.444 70 A N 1.625 124.481 122.820 0.060 0.000 1.908 70 A HA 0.056 4.376 4.320 0.000 0.000 0.218 70 A C 2.402 179.979 177.584 -0.012 0.000 1.181 70 A CA 1.577 53.605 52.037 -0.014 0.000 0.627 70 A CB -0.934 18.059 19.000 -0.011 0.000 0.818 70 A HN 0.596 nan 8.150 nan 0.000 0.445 71 I N -0.459 120.129 120.570 0.029 0.000 2.179 71 I HA -0.261 3.909 4.170 0.000 0.000 0.242 71 I C 2.393 178.534 176.117 0.040 0.000 1.088 71 I CA 1.138 62.456 61.300 0.030 0.000 1.357 71 I CB -0.342 37.683 38.000 0.043 0.000 1.051 71 I HN 0.292 nan 8.210 nan 0.000 0.409 72 L N -0.204 121.070 121.223 0.085 0.000 2.043 72 L HA -0.262 4.078 4.340 0.000 0.000 0.212 72 L C 2.564 179.487 176.870 0.088 0.000 1.075 72 L CA 1.027 55.933 54.840 0.110 0.000 0.752 72 L CB -0.598 41.584 42.059 0.205 0.000 0.891 72 L HN 0.298 nan 8.230 nan 0.000 0.432 73 L N 0.275 121.518 121.223 0.033 0.000 2.012 73 L HA -0.252 4.088 4.340 0.000 0.000 0.210 73 L C 2.578 179.421 176.870 -0.045 0.000 1.073 73 L CA 1.875 56.669 54.840 -0.076 0.000 0.748 73 L CB -0.704 41.133 42.059 -0.369 0.000 0.891 73 L HN 0.171 nan 8.230 nan 0.000 0.431 74 K N -0.815 119.561 120.400 -0.040 0.000 2.032 74 K HA -0.215 4.105 4.320 0.000 0.000 0.209 74 K C 1.786 178.384 176.600 -0.003 0.000 1.048 74 K CA 1.852 58.124 56.287 -0.025 0.000 0.927 74 K CB -0.217 32.270 32.500 -0.021 0.000 0.712 74 K HN 0.349 nan 8.250 nan 0.000 0.441 75 D N 0.463 120.869 120.400 0.010 0.000 2.106 75 D HA -0.195 4.445 4.640 0.000 0.000 0.191 75 D C 1.810 178.126 176.300 0.027 0.000 0.997 75 D CA 1.675 55.687 54.000 0.019 0.000 0.834 75 D CB -0.389 40.425 40.800 0.023 0.000 0.956 75 D HN 0.393 nan 8.370 nan 0.000 0.448 76 A N 0.546 123.384 122.820 0.031 0.000 1.877 76 A HA -0.138 4.182 4.320 0.000 0.000 0.216 76 A C 2.468 180.071 177.584 0.031 0.000 1.186 76 A CA 1.067 53.126 52.037 0.037 0.000 0.620 76 A CB -0.887 18.140 19.000 0.045 0.000 0.822 76 A HN 0.216 nan 8.150 nan 0.000 0.443 77 L N -0.812 120.419 121.223 0.014 0.000 2.012 77 L HA -0.238 4.102 4.340 0.000 0.000 0.210 77 L C 3.108 180.007 176.870 0.048 0.000 1.073 77 L CA 1.289 56.138 54.840 0.014 0.000 0.748 77 L CB -0.490 41.560 42.059 -0.016 0.000 0.891 77 L HN 0.455 nan 8.230 nan 0.000 0.431 78 A N -0.438 122.406 122.820 0.040 0.000 1.930 78 A HA -0.094 4.226 4.320 0.000 0.000 0.217 78 A C 2.476 180.117 177.584 0.095 0.000 1.175 78 A CA 1.527 53.603 52.037 0.065 0.000 0.627 78 A CB -0.637 18.384 19.000 0.035 0.000 0.815 78 A HN 0.406 nan 8.150 nan 0.000 0.443 79 A N -0.137 122.722 122.820 0.065 0.000 1.930 79 A HA 0.233 4.553 4.320 0.000 0.000 0.217 79 A C 2.476 180.103 177.584 0.073 0.000 1.175 79 A CA 1.839 53.907 52.037 0.051 0.000 0.627 79 A CB -0.918 18.105 19.000 0.039 0.000 0.815 79 A HN 0.958 nan 8.150 nan 0.000 0.443 80 A N -0.966 121.921 122.820 0.113 0.000 1.877 80 A HA -0.224 4.096 4.320 0.000 0.000 0.216 80 A C 2.171 179.871 177.584 0.193 0.000 1.186 80 A CA 1.760 53.907 52.037 0.182 0.000 0.620 80 A CB -1.000 18.072 19.000 0.119 0.000 0.822 80 A HN 0.765 nan 8.150 nan 0.000 0.443 81 H N -0.007 119.102 119.070 0.065 0.000 2.321 81 H HA -0.041 4.515 4.556 0.000 0.000 0.300 81 H C 2.175 177.517 175.328 0.024 0.000 1.087 81 H CA 1.712 57.787 56.048 0.045 0.000 1.319 81 H CB -0.171 29.602 29.762 0.018 0.000 1.379 81 H HN 0.390 nan 8.280 nan 0.000 0.501 82 A N 0.897 123.673 122.820 -0.073 0.000 2.015 82 A HA -0.119 4.201 4.320 0.000 0.000 0.219 82 A C 2.554 180.020 177.584 -0.196 0.000 1.163 82 A CA 1.363 53.314 52.037 -0.144 0.000 0.646 82 A CB -0.473 18.517 19.000 -0.015 0.000 0.806 82 A HN 0.463 nan 8.150 nan 0.000 0.448 83 R N -2.170 118.210 120.500 -0.199 0.000 2.075 83 R HA 0.031 4.371 4.340 0.000 0.000 0.220 83 R C 1.321 177.324 176.300 -0.496 0.000 1.118 83 R CA 1.326 57.196 56.100 -0.384 0.000 0.986 83 R CB -0.227 29.762 30.300 -0.517 0.000 0.884 83 R HN 0.528 nan 8.270 nan 0.000 0.439 84 Y N 0.902 121.142 120.300 -0.100 0.000 2.458 84 Y HA 0.273 4.823 4.550 0.000 0.000 0.254 84 Y C -0.138 175.697 175.900 -0.109 0.000 1.120 84 Y CA -0.493 57.556 58.100 -0.086 0.000 1.282 84 Y CB 0.734 39.157 38.460 -0.062 0.000 1.109 84 Y HN -0.180 nan 8.280 nan 0.000 0.526 85 K N 0.728 121.078 120.400 -0.083 0.000 3.730 85 K HA -0.174 4.146 4.320 0.000 0.000 0.276 85 K C -2.801 173.791 176.600 -0.012 0.000 0.904 85 K CA 0.266 56.468 56.287 -0.143 0.000 0.741 85 K CB -1.834 30.588 32.500 -0.130 0.000 1.542 85 K HN 0.353 nan 8.250 nan 0.000 0.446 86 P HA 0.119 nan 4.420 nan 0.000 0.276 86 P C 0.631 177.963 177.300 0.053 0.000 1.261 86 P CA -0.288 62.840 63.100 0.047 0.000 0.800 86 P CB 0.652 32.380 31.700 0.046 0.000 1.066 87 Q N -0.404 119.417 119.800 0.036 0.000 2.311 87 Q HA 0.206 4.546 4.340 0.000 0.000 0.203 87 Q C 0.669 176.691 176.000 0.037 0.000 0.954 87 Q CA 0.913 56.737 55.803 0.035 0.000 0.885 87 Q CB 0.070 28.822 28.738 0.023 0.000 0.963 87 Q HN 0.611 nan 8.270 nan 0.000 0.471 91 V N 0.897 120.786 119.914 -0.043 0.000 2.656 91 V HA 0.954 5.074 4.120 0.000 0.000 0.307 91 V C -0.009 176.070 176.094 -0.025 0.000 1.051 91 V CA 0.490 62.764 62.300 -0.044 0.000 0.893 91 V CB 1.486 33.285 31.823 -0.040 0.000 0.999 91 V HN 2.488 nan 8.190 nan 0.000 0.426 92 A N 5.804 128.611 122.820 -0.021 0.000 2.593 92 A HA 0.871 5.191 4.320 0.000 0.000 0.290 92 A C -1.746 175.868 177.584 0.050 0.000 1.126 92 A CA -0.788 51.258 52.037 0.015 0.000 0.695 92 A CB 1.644 20.652 19.000 0.013 0.000 1.290 92 A HN 0.843 nan 8.150 nan 0.000 0.414 93 L N 1.042 122.317 121.223 0.086 0.000 2.295 93 L HA 0.471 4.811 4.340 0.000 0.000 0.285 93 L C 0.779 177.691 176.870 0.070 0.000 1.035 93 L CA -0.574 54.339 54.840 0.122 0.000 0.806 93 L CB 1.635 43.789 42.059 0.158 0.000 1.214 93 L HN 0.799 nan 8.230 nan 0.000 0.426 94 T N 0.651 115.204 114.554 -0.003 0.000 2.701 94 T HA -0.019 4.331 4.350 0.000 0.000 0.303 94 T C 1.349 176.094 174.700 0.075 0.000 1.030 94 T CA -0.231 61.802 62.100 -0.112 0.000 1.010 94 T CB 0.737 69.487 68.868 -0.196 0.000 1.007 94 T HN 0.943 nan 8.240 nan 0.000 0.532 95 C N 0.238 119.595 119.300 0.096 0.000 2.429 95 C HA -0.041 4.419 4.460 0.000 0.000 0.277 95 C C 2.643 177.751 174.990 0.197 0.000 1.262 95 C CA 1.115 60.157 59.018 0.040 0.000 1.733 95 C CB -1.781 25.862 27.740 -0.161 0.000 2.010 95 C HN 0.895 nan 8.230 nan 0.000 0.483 96 T N 1.952 116.616 114.554 0.183 0.000 2.746 96 T HA 0.000 4.350 4.350 0.000 0.000 0.267 96 T C 2.236 177.078 174.700 0.237 0.000 1.039 96 T CA 2.020 64.260 62.100 0.234 0.000 1.142 96 T CB -0.576 68.434 68.868 0.236 0.000 0.866 96 T HN 0.782 nan 8.240 nan 0.000 0.444 97 A N 1.020 123.982 122.820 0.237 0.000 2.119 97 A HA -0.011 4.309 4.320 0.000 0.000 0.217 97 A C 2.061 179.739 177.584 0.157 0.000 1.153 97 A CA 1.113 53.246 52.037 0.161 0.000 0.692 97 A CB -0.469 18.610 19.000 0.132 0.000 0.799 97 A HN 0.554 nan 8.150 nan 0.000 0.458 98 E N -0.287 120.030 120.200 0.196 0.000 2.338 98 E HA -0.050 4.300 4.350 0.000 0.000 0.197 98 E C 1.186 177.880 176.600 0.156 0.000 1.007 98 E CA 0.499 57.021 56.400 0.203 0.000 0.849 98 E CB -0.089 29.786 29.700 0.292 0.000 0.774 98 E HN 0.698 nan 8.360 nan 0.000 0.506 99 L N 0.662 121.965 121.223 0.134 0.000 2.592 99 L HA 0.111 4.451 4.340 0.000 0.000 0.227 99 L C 0.380 177.263 176.870 0.022 0.000 1.127 99 L CA -0.403 54.472 54.840 0.058 0.000 0.884 99 L CB 0.118 42.205 42.059 0.047 0.000 1.065 99 L HN 0.064 nan 8.230 nan 0.000 0.457 100 L N -0.423 120.813 121.223 0.022 0.000 2.469 100 L HA 0.172 4.512 4.340 0.000 0.000 0.253 100 L C 1.027 177.910 176.870 0.022 0.000 1.143 100 L CA 0.529 55.363 54.840 -0.011 0.000 0.804 100 L CB 0.619 42.642 42.059 -0.060 0.000 1.214 100 L HN -0.032 nan 8.230 nan 0.000 0.476 101 Q N -0.591 119.216 119.800 0.013 0.000 2.282 101 Q HA 0.145 4.485 4.340 0.000 0.000 0.206 101 Q C -0.934 175.082 176.000 0.027 0.000 0.878 101 Q CA -0.059 55.755 55.803 0.019 0.000 0.944 101 Q CB 0.304 29.045 28.738 0.005 0.000 1.100 101 Q HN 0.477 nan 8.270 nan 0.000 0.509 102 D N 1.225 121.652 120.400 0.046 0.000 2.425 102 D HA -0.022 4.618 4.640 0.000 0.000 0.247 102 D C -0.486 175.831 176.300 0.029 0.000 1.147 102 D CA 0.405 54.426 54.000 0.035 0.000 0.879 102 D CB 0.847 41.680 40.800 0.054 0.000 1.179 102 D HN 0.015 nan 8.370 nan 0.000 0.456 103 D N 2.820 123.220 120.400 0.001 0.000 2.428 103 D HA 0.142 4.782 4.640 0.000 0.000 0.221 103 D C -1.586 174.700 176.300 -0.024 0.000 1.123 103 D CA -2.213 51.787 54.000 -0.000 0.000 0.869 103 D CB 1.389 42.188 40.800 -0.001 0.000 1.032 103 D HN 0.000 nan 8.370 nan 0.000 0.506 104 P HA -0.176 nan 4.420 nan 0.000 0.216 104 P C 1.199 178.479 177.300 -0.033 0.000 1.150 104 P CA 0.870 63.945 63.100 -0.042 0.000 0.837 104 P CB 0.315 32.007 31.700 -0.014 0.000 0.786 105 N N 0.129 118.819 118.700 -0.017 0.000 2.106 105 N HA -0.114 4.626 4.740 0.000 0.000 0.188 105 N C 2.093 177.591 175.510 -0.021 0.000 1.029 105 N CA 1.568 54.607 53.050 -0.017 0.000 0.848 105 N CB -0.579 37.903 38.487 -0.008 0.000 1.007 105 N HN 0.054 nan 8.380 nan 0.000 0.423 106 G N 1.864 110.653 108.800 -0.019 0.000 2.421 106 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 106 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 106 G C 1.598 176.481 174.900 -0.029 0.000 1.171 106 G CA 0.484 45.572 45.100 -0.020 0.000 0.775 106 G HN 0.226 nan 8.290 nan 0.000 0.543 107 I N 1.679 122.226 120.570 -0.038 0.000 2.142 107 I HA -0.158 4.012 4.170 0.000 0.000 0.240 107 I C 3.033 179.122 176.117 -0.047 0.000 1.078 107 I CA 1.791 63.062 61.300 -0.048 0.000 1.343 107 I CB -1.394 36.562 38.000 -0.075 0.000 1.046 107 I HN 0.338 nan 8.210 nan 0.000 0.405 108 S N 0.844 116.514 115.700 -0.049 0.000 2.382 108 S HA -0.183 4.287 4.470 0.000 0.000 0.228 108 S C 2.222 176.794 174.600 -0.046 0.000 1.027 108 S CA 1.181 59.352 58.200 -0.049 0.000 0.991 108 S CB -0.118 63.055 63.200 -0.046 0.000 0.823 108 S HN 0.401 nan 8.310 nan 0.000 0.469 109 R N 0.469 120.946 120.500 -0.038 0.000 2.093 109 R HA 0.190 4.530 4.340 0.000 0.000 0.224 109 R C 2.738 179.017 176.300 -0.034 0.000 1.101 109 R CA 1.050 57.129 56.100 -0.035 0.000 0.979 109 R CB -0.609 29.675 30.300 -0.027 0.000 0.877 109 R HN 0.522 nan 8.270 nan 0.000 0.441 110 A N 1.087 123.888 122.820 -0.031 0.000 2.024 110 A HA -0.136 4.184 4.320 0.000 0.000 0.220 110 A C 2.048 179.612 177.584 -0.033 0.000 1.164 110 A CA 1.005 53.025 52.037 -0.028 0.000 0.643 110 A CB -0.418 18.568 19.000 -0.024 0.000 0.806 110 A HN 0.266 nan 8.150 nan 0.000 0.451 111 L N -1.390 119.808 121.223 -0.041 0.000 2.217 111 L HA -0.102 4.238 4.340 0.000 0.000 0.211 111 L C 0.828 177.661 176.870 -0.062 0.000 1.107 111 L CA 0.896 55.706 54.840 -0.049 0.000 0.783 111 L CB -0.185 41.840 42.059 -0.056 0.000 0.919 111 L HN 0.575 nan 8.230 nan 0.000 0.442 112 N N 0.595 119.258 118.700 -0.062 0.000 2.738 112 N HA -0.188 4.552 4.740 0.000 0.000 0.249 112 N C -0.535 174.919 175.510 -0.093 0.000 1.047 112 N CA 0.224 53.236 53.050 -0.063 0.000 0.707 112 N CB -1.102 37.359 38.487 -0.044 0.000 0.937 112 N HN -0.006 nan 8.380 nan 0.000 0.545 113 L N 0.670 121.810 121.223 -0.138 0.000 2.483 113 L HA 0.178 4.518 4.340 0.000 0.000 0.275 113 L C -0.279 176.492 176.870 -0.165 0.000 1.220 113 L CA -0.773 53.923 54.840 -0.240 0.000 0.833 113 L CB -0.439 41.417 42.059 -0.338 0.000 1.102 113 L HN 0.240 nan 8.230 nan 0.000 0.490 114 P HA 0.010 nan 4.420 nan 0.000 0.242 114 P C -0.143 177.151 177.300 -0.011 0.000 1.197 114 P CA 0.453 63.526 63.100 -0.045 0.000 0.765 114 P CB 0.139 31.851 31.700 0.019 0.000 0.936 115 V N -3.541 116.353 119.914 -0.032 0.000 3.001 115 V HA 0.705 4.825 4.120 0.000 0.000 0.314 115 V C -2.921 173.162 176.094 -0.019 0.000 1.099 115 V CA -2.974 59.330 62.300 0.006 0.000 0.989 115 V CB 1.624 33.484 31.823 0.062 0.000 1.040 115 V HN -0.257 nan 8.190 nan 0.000 0.434 116 P HA 0.290 nan 4.420 nan 0.000 0.271 116 P C -0.728 176.560 177.300 -0.019 0.000 1.216 116 P CA 0.047 63.137 63.100 -0.017 0.000 0.771 116 P CB 1.258 32.951 31.700 -0.012 0.000 0.864 117 V N 4.314 124.211 119.914 -0.028 0.000 2.357 117 V HA 0.176 4.296 4.120 0.000 0.000 0.284 117 V C 0.307 176.384 176.094 -0.029 0.000 1.018 117 V CA -0.717 61.566 62.300 -0.029 0.000 0.841 117 V CB 1.900 33.700 31.823 -0.039 0.000 0.991 117 V HN 0.267 nan 8.190 nan 0.000 0.437 118 V N 8.152 128.050 119.914 -0.028 0.000 2.350 118 V HA 0.363 4.483 4.120 0.000 0.000 0.276 118 V C -2.091 173.986 176.094 -0.028 0.000 1.028 118 V CA -1.727 60.555 62.300 -0.030 0.000 0.860 118 V CB 1.611 33.414 31.823 -0.032 0.000 0.990 118 V HN 0.724 nan 8.190 nan 0.000 0.453 119 P HA 0.399 nan 4.420 nan 0.000 0.286 119 P C -1.010 176.284 177.300 -0.011 0.000 1.269 119 P CA -0.252 62.839 63.100 -0.016 0.000 0.787 119 P CB 1.141 32.834 31.700 -0.012 0.000 0.920 120 L N 2.573 123.795 121.223 -0.002 0.000 2.317 120 L HA 0.481 4.821 4.340 0.000 0.000 0.281 120 L C 0.751 177.642 176.870 0.034 0.000 1.024 120 L CA -0.590 54.252 54.840 0.004 0.000 0.810 120 L CB 1.618 43.675 42.059 -0.004 0.000 1.240 120 L HN 0.230 nan 8.230 nan 0.000 0.427 121 E N 4.398 124.627 120.200 0.049 0.000 2.092 121 E HA 0.454 4.804 4.350 0.000 0.000 0.271 121 E C -1.265 175.422 176.600 0.145 0.000 0.919 121 E CA -0.397 56.058 56.400 0.091 0.000 0.760 121 E CB 1.581 31.335 29.700 0.089 0.000 1.106 121 E HN 0.443 nan 8.360 nan 0.000 0.408 122 L N 5.022 126.339 121.223 0.157 0.000 2.417 122 L HA 0.360 4.700 4.340 0.000 0.000 0.259 122 L C -2.433 174.558 176.870 0.202 0.000 1.023 122 L CA -2.189 52.779 54.840 0.213 0.000 0.901 122 L CB 1.169 43.324 42.059 0.159 0.000 1.227 122 L HN 0.186 nan 8.230 nan 0.000 0.454 123 P HA 0.045 nan 4.420 nan 0.000 0.269 123 P C 0.708 178.088 177.300 0.133 0.000 1.263 123 P CA 0.250 63.446 63.100 0.161 0.000 0.813 123 P CB 1.268 33.035 31.700 0.111 0.000 0.868 124 S N 2.165 117.926 115.700 0.102 0.000 2.522 124 S HA -0.040 4.430 4.470 0.000 0.000 0.227 124 S C 0.740 175.189 174.600 -0.252 0.000 0.986 124 S CA 0.566 58.722 58.200 -0.073 0.000 0.929 124 S CB -0.509 62.605 63.200 -0.143 0.000 0.769 124 S HN 0.358 nan 8.310 nan 0.000 0.529 125 Y N 0.635 120.979 120.300 0.074 0.000 2.458 125 Y HA 0.242 4.792 4.550 0.000 0.000 0.254 125 Y C 2.440 178.365 175.900 0.041 0.000 1.120 125 Y CA 0.426 58.560 58.100 0.056 0.000 1.282 125 Y CB 0.346 38.836 38.460 0.050 0.000 1.109 125 Y HN 0.405 nan 8.280 nan 0.000 0.526 126 S N -1.473 114.313 115.700 0.144 0.000 2.575 126 S HA 0.318 4.788 4.470 0.000 0.000 0.230 126 S C 0.643 175.258 174.600 0.026 0.000 1.062 126 S CA -0.391 57.854 58.200 0.074 0.000 0.913 126 S CB 0.482 63.712 63.200 0.050 0.000 0.837 126 S HN -0.100 nan 8.310 nan 0.000 0.487 127 R N 1.318 121.830 120.500 0.021 0.000 2.856 127 R HA 0.735 5.075 4.340 0.000 0.000 0.258 127 R C -0.525 175.820 176.300 0.075 0.000 1.066 127 R CA -0.544 55.563 56.100 0.012 0.000 1.045 127 R CB 0.830 31.088 30.300 -0.070 0.000 1.178 127 R HN 0.260 nan 8.270 nan 0.000 0.499 128 K N 0.037 120.507 120.400 0.118 0.000 2.149 128 K HA 0.263 4.583 4.320 0.000 0.000 0.241 128 K C 0.988 177.663 176.600 0.124 0.000 1.083 128 K CA -0.848 55.497 56.287 0.097 0.000 0.885 128 K CB 1.177 33.730 32.500 0.089 0.000 1.374 128 K HN 0.516 nan 8.250 nan 0.000 0.511 129 E N 0.938 121.180 120.200 0.069 0.000 2.048 129 E HA -0.301 4.049 4.350 0.000 0.000 0.202 129 E C 1.325 177.980 176.600 0.091 0.000 1.021 129 E CA 1.990 58.420 56.400 0.049 0.000 0.825 129 E CB -0.032 29.677 29.700 0.015 0.000 0.756 129 E HN 0.363 nan 8.360 nan 0.000 0.454 130 N N -0.246 118.533 118.700 0.132 0.000 2.094 130 N HA -0.217 4.523 4.740 0.000 0.000 0.191 130 N C 1.634 177.237 175.510 0.155 0.000 1.023 130 N CA 1.371 54.507 53.050 0.144 0.000 0.857 130 N CB -0.726 37.864 38.487 0.171 0.000 1.013 130 N HN 0.341 nan 8.380 nan 0.000 0.426 131 Y N 1.310 121.655 120.300 0.074 0.000 2.181 131 Y HA -0.085 4.465 4.550 0.000 0.000 0.288 131 Y C 2.345 178.285 175.900 0.066 0.000 1.146 131 Y CA 1.776 59.917 58.100 0.069 0.000 1.164 131 Y CB -0.764 37.733 38.460 0.062 0.000 0.982 131 Y HN 0.041 nan 8.280 nan 0.000 0.515 132 G N -0.061 108.744 108.800 0.009 0.000 2.476 132 G HA2 -0.333 3.627 3.960 0.000 0.000 0.218 132 G HA3 -0.333 3.627 3.960 0.000 0.000 0.218 132 G C 1.812 176.655 174.900 -0.096 0.000 1.164 132 G CA 1.269 46.330 45.100 -0.064 0.000 0.768 132 G HN 0.619 nan 8.290 nan 0.000 0.560 133 A N 0.584 123.386 122.820 -0.031 0.000 1.897 133 A HA 0.012 4.332 4.320 0.000 0.000 0.215 133 A C 2.080 179.671 177.584 0.013 0.000 1.181 133 A CA 2.097 54.135 52.037 0.003 0.000 0.620 133 A CB -0.491 18.528 19.000 0.032 0.000 0.821 133 A HN 0.368 nan 8.150 nan 0.000 0.443 134 D N -0.542 119.846 120.400 -0.020 0.000 2.097 134 D HA -0.180 4.460 4.640 0.000 0.000 0.195 134 D C 1.936 178.186 176.300 -0.084 0.000 0.989 134 D CA 1.658 55.664 54.000 0.010 0.000 0.827 134 D CB -0.080 40.735 40.800 0.025 0.000 0.966 134 D HN 0.427 nan 8.370 nan 0.000 0.456 135 E N -0.577 119.421 120.200 -0.337 0.000 2.072 135 E HA -0.089 4.261 4.350 0.000 0.000 0.190 135 E C 1.958 178.455 176.600 -0.172 0.000 0.982 135 E CA 1.626 57.803 56.400 -0.371 0.000 0.803 135 E CB -0.609 28.622 29.700 -0.782 0.000 0.755 135 E HN 0.189 nan 8.360 nan 0.000 0.453 136 T N 0.559 115.044 114.554 -0.115 0.000 2.684 136 T HA -0.159 4.191 4.350 0.000 0.000 0.267 136 T C 1.422 176.153 174.700 0.051 0.000 1.036 136 T CA 1.445 63.529 62.100 -0.027 0.000 1.148 136 T CB -0.561 68.304 68.868 -0.004 0.000 0.863 136 T HN 0.229 nan 8.240 nan 0.000 0.436 137 F N 2.247 122.146 119.950 -0.085 0.000 2.146 137 F HA 0.054 4.581 4.527 0.000 0.000 0.298 137 F C 2.507 178.264 175.800 -0.072 0.000 1.096 137 F CA 0.912 58.876 58.000 -0.060 0.000 1.275 137 F CB -0.431 38.547 39.000 -0.036 0.000 1.008 137 F HN -0.084 nan 8.300 nan 0.000 0.480 138 R N 0.428 120.818 120.500 -0.183 0.000 2.091 138 R HA -0.176 4.164 4.340 0.000 0.000 0.238 138 R C 2.253 178.389 176.300 -0.274 0.000 1.136 138 R CA 1.502 57.431 56.100 -0.285 0.000 0.959 138 R CB -0.699 29.495 30.300 -0.177 0.000 0.856 138 R HN 0.364 nan 8.270 nan 0.000 0.437 139 A N 1.079 123.793 122.820 -0.176 0.000 1.873 139 A HA -0.134 4.186 4.320 0.000 0.000 0.215 139 A C 2.069 179.569 177.584 -0.140 0.000 1.186 139 A CA 0.915 52.863 52.037 -0.148 0.000 0.616 139 A CB -0.493 18.452 19.000 -0.092 0.000 0.823 139 A HN 0.259 nan 8.150 nan 0.000 0.442 140 L N -0.271 120.889 121.223 -0.105 0.000 2.013 140 L HA -0.176 4.164 4.340 0.000 0.000 0.212 140 L C 2.637 179.431 176.870 -0.127 0.000 1.073 140 L CA 1.635 56.431 54.840 -0.073 0.000 0.753 140 L CB -0.987 41.083 42.059 0.018 0.000 0.890 140 L HN 0.219 nan 8.230 nan 0.000 0.432 141 V N -0.653 119.112 119.914 -0.249 0.000 2.358 141 V HA -0.262 3.858 4.120 0.000 0.000 0.246 141 V C 2.694 178.676 176.094 -0.187 0.000 1.047 141 V CA 1.690 63.834 62.300 -0.260 0.000 1.035 141 V CB -0.589 30.953 31.823 -0.469 0.000 0.658 141 V HN 0.465 nan 8.190 nan 0.000 0.452 142 R N 1.246 121.547 120.500 -0.333 0.000 2.120 142 R HA -0.107 4.233 4.340 0.000 0.000 0.234 142 R C 1.970 178.181 176.300 -0.148 0.000 1.123 142 R CA 1.970 57.820 56.100 -0.416 0.000 0.975 142 R CB -0.585 29.395 30.300 -0.533 0.000 0.866 142 R HN 0.432 nan 8.270 nan 0.000 0.446 143 A N -0.361 122.390 122.820 -0.116 0.000 2.021 143 A HA 0.151 4.471 4.320 0.000 0.000 0.216 143 A C 1.921 179.486 177.584 -0.032 0.000 1.163 143 A CA 0.816 52.816 52.037 -0.061 0.000 0.676 143 A CB 0.012 18.978 19.000 -0.056 0.000 0.818 143 A HN 0.366 nan 8.150 nan 0.000 0.453 144 L N -1.712 119.492 121.223 -0.032 0.000 2.577 144 L HA 0.319 4.659 4.340 0.000 0.000 0.225 144 L C 1.200 178.071 176.870 0.002 0.000 1.053 144 L CA 0.217 55.050 54.840 -0.012 0.000 0.866 144 L CB 0.051 42.104 42.059 -0.010 0.000 1.132 144 L HN 0.282 nan 8.230 nan 0.000 0.486 145 A N 1.172 123.997 122.820 0.008 0.000 2.363 145 A HA 0.555 4.875 4.320 0.000 0.000 0.270 145 A C -0.336 177.265 177.584 0.030 0.000 1.121 145 A CA -0.230 51.819 52.037 0.020 0.000 0.800 145 A CB 0.514 19.528 19.000 0.023 0.000 1.052 145 A HN 0.045 nan 8.150 nan 0.000 0.493 146 V N 0.421 120.343 119.914 0.013 0.000 2.876 146 V HA 0.719 4.839 4.120 0.000 0.000 0.312 146 V C -2.633 173.457 176.094 -0.006 0.000 1.085 146 V CA -2.080 60.224 62.300 0.007 0.000 0.945 146 V CB 0.785 32.612 31.823 0.007 0.000 1.017 146 V HN 0.769 nan 8.190 nan 0.000 0.428 150 R N 1.772 122.230 120.500 -0.070 0.000 2.537 150 R HA 0.157 4.497 4.340 0.000 0.000 0.280 150 R C 0.017 176.329 176.300 0.020 0.000 1.058 150 R CA 0.171 56.202 56.100 -0.115 0.000 1.057 150 R CB 0.202 30.274 30.300 -0.381 0.000 0.973 150 R HN 0.707 nan 8.270 nan 0.000 0.438 151 T N 0.768 115.403 114.554 0.134 0.000 2.939 151 T HA 0.015 4.365 4.350 0.000 0.000 0.319 151 T C -1.511 173.309 174.700 0.200 0.000 1.082 151 T CA -1.134 61.065 62.100 0.164 0.000 1.133 151 T CB 0.265 69.230 68.868 0.161 0.000 1.019 151 T HN 0.298 nan 8.240 nan 0.000 0.548 152 P HA -0.015 nan 4.420 nan 0.000 0.214 152 P C 0.399 177.756 177.300 0.095 0.000 1.163 152 P CA 1.084 64.238 63.100 0.090 0.000 0.883 152 P CB 0.086 31.817 31.700 0.051 0.000 0.788 153 E N -1.202 119.030 120.200 0.052 0.000 2.283 153 E HA 0.249 4.599 4.350 0.000 0.000 0.267 153 E C -0.648 175.873 176.600 -0.131 0.000 1.045 153 E CA -0.708 55.685 56.400 -0.011 0.000 0.884 153 E CB 0.611 30.302 29.700 -0.016 0.000 1.106 153 E HN -0.292 nan 8.360 nan 0.000 0.408 154 V N 2.790 122.556 119.914 -0.246 0.000 2.450 154 V HA 0.186 4.306 4.120 0.000 0.000 0.281 154 V C 0.295 176.191 176.094 -0.329 0.000 1.019 154 V CA 0.247 62.213 62.300 -0.557 0.000 1.062 154 V CB -0.376 31.274 31.823 -0.288 0.000 0.979 154 V HN 0.794 nan 8.190 nan 0.000 0.477 155 T N 2.041 116.373 114.554 -0.369 0.000 2.901 155 T HA 0.781 5.131 4.350 0.000 0.000 0.293 155 T C -0.415 174.219 174.700 -0.111 0.000 1.084 155 T CA -0.670 61.361 62.100 -0.115 0.000 1.008 155 T CB 1.916 70.762 68.868 -0.037 0.000 1.170 155 T HN 0.967 nan 8.240 nan 0.000 0.509 156 C N 0.435 119.591 119.300 -0.239 0.000 3.080 156 C HA 0.809 5.269 4.460 0.000 0.000 0.307 156 C C -0.578 174.240 174.990 -0.287 0.000 1.311 156 C CA -1.107 57.591 59.018 -0.534 0.000 1.533 156 C CB 0.230 27.238 27.740 -1.219 0.000 1.970 156 C HN 1.070 nan 8.230 nan 0.000 0.467 157 N N 0.115 118.661 118.700 -0.257 0.000 2.492 157 N HA 0.687 5.427 4.740 0.000 0.000 0.289 157 N C -1.123 174.330 175.510 -0.095 0.000 1.133 157 N CA -0.572 52.411 53.050 -0.112 0.000 0.961 157 N CB 1.008 39.474 38.487 -0.034 0.000 1.186 157 N HN 0.598 nan 8.380 nan 0.000 0.493 158 L N 2.092 123.295 121.223 -0.034 0.000 2.282 158 L HA 0.477 4.817 4.340 0.000 0.000 0.288 158 L C -1.143 175.743 176.870 0.026 0.000 1.033 158 L CA -0.783 54.047 54.840 -0.016 0.000 0.807 158 L CB 0.828 42.873 42.059 -0.024 0.000 1.209 158 L HN 0.256 nan 8.230 nan 0.000 0.423 159 L N 2.439 123.685 121.223 0.039 0.000 2.362 159 L HA 0.680 5.020 4.340 0.000 0.000 0.275 159 L C 0.611 177.518 176.870 0.062 0.000 0.998 159 L CA 0.130 55.038 54.840 0.115 0.000 0.820 159 L CB 1.606 43.770 42.059 0.175 0.000 1.270 159 L HN 0.775 nan 8.230 nan 0.000 0.415 160 G N 2.387 111.168 108.800 -0.032 0.000 2.179 160 G HA2 -0.103 3.857 3.960 0.000 0.000 0.220 160 G HA3 -0.103 3.857 3.960 0.000 0.000 0.220 160 G C 0.358 175.322 174.900 0.107 0.000 0.990 160 G CA -0.065 45.047 45.100 0.020 0.000 0.646 160 G HN 0.979 nan 8.290 nan 0.000 0.517 161 A N 0.661 123.523 122.820 0.069 0.000 2.450 161 A HA 0.764 5.084 4.320 0.000 0.000 0.255 161 A C 0.801 178.463 177.584 0.130 0.000 1.096 161 A CA 1.455 53.593 52.037 0.168 0.000 0.778 161 A CB 0.355 19.435 19.000 0.133 0.000 1.031 161 A HN 1.880 nan 8.150 nan 0.000 0.494 162 T N -1.027 113.710 114.554 0.306 0.000 2.804 162 T HA 0.780 5.130 4.350 0.000 0.000 0.290 162 T C 0.046 174.778 174.700 0.053 0.000 1.099 162 T CA -0.158 61.987 62.100 0.076 0.000 1.011 162 T CB 1.085 69.968 68.868 0.025 0.000 1.291 162 T HN 1.674 nan 8.240 nan 0.000 0.523 163 A N 0.734 123.595 122.820 0.069 0.000 2.332 163 A HA 0.628 4.948 4.320 0.000 0.000 0.258 163 A C 1.257 178.874 177.584 0.055 0.000 1.087 163 A CA -0.574 51.541 52.037 0.129 0.000 0.802 163 A CB -0.866 18.302 19.000 0.281 0.000 1.042 163 A HN 1.558 nan 8.150 nan 0.000 0.489 164 L N -0.628 120.588 121.223 -0.012 0.000 3.976 164 L HA -0.233 4.107 4.340 0.000 0.000 0.418 164 L C 1.026 177.884 176.870 -0.021 0.000 1.177 164 L CA 0.255 55.041 54.840 -0.090 0.000 0.968 164 L CB -2.041 39.827 42.059 -0.320 0.000 1.933 164 L HN 0.971 nan 8.230 nan 0.000 0.976 165 G N -0.460 108.149 108.800 -0.318 0.000 2.415 165 G HA2 0.340 4.300 3.960 0.000 0.000 0.269 165 G HA3 0.340 4.300 3.960 0.000 0.000 0.269 165 G C -0.598 173.990 174.900 -0.521 0.000 1.209 165 G CA -0.420 43.993 45.100 -1.146 0.000 0.835 165 G HN 0.121 nan 8.290 nan 0.000 0.534 166 F N 3.768 123.475 119.950 -0.404 0.000 2.519 166 F HA 0.209 4.736 4.527 0.000 0.000 0.375 166 F C 1.409 177.133 175.800 -0.127 0.000 1.084 166 F CA -0.542 57.273 58.000 -0.308 0.000 1.147 166 F CB 0.247 39.108 39.000 -0.233 0.000 1.088 166 F HN 0.551 nan 8.300 nan 0.000 0.555 167 R N 3.527 123.566 120.500 -0.768 0.000 3.627 167 R HA -0.296 4.044 4.340 0.000 0.000 0.281 167 R C 0.800 177.055 176.300 -0.073 0.000 1.140 167 R CA 1.112 56.891 56.100 -0.536 0.000 0.761 167 R CB -2.810 27.070 30.300 -0.700 0.000 1.181 167 R HN 0.775 nan 8.270 nan 0.000 0.472 168 H N 0.421 119.396 119.070 -0.160 0.000 2.353 168 H HA -0.002 4.554 4.556 0.000 0.000 0.300 168 H C 2.162 177.500 175.328 0.017 0.000 1.090 168 H CA 1.816 57.870 56.048 0.009 0.000 1.327 168 H CB -0.058 29.692 29.762 -0.021 0.000 1.383 168 H HN 0.377 nan 8.280 nan 0.000 0.508 169 R N 0.585 121.153 120.500 0.113 0.000 2.115 169 R HA -0.177 4.163 4.340 0.000 0.000 0.239 169 R C 1.117 177.441 176.300 0.040 0.000 1.133 169 R CA 2.354 58.497 56.100 0.072 0.000 0.935 169 R CB -0.084 30.248 30.300 0.054 0.000 0.853 169 R HN 0.298 nan 8.270 nan 0.000 0.433 170 D N -0.101 120.272 120.400 -0.044 0.000 2.249 170 D HA -0.065 4.575 4.640 0.000 0.000 0.205 170 D C 1.432 177.647 176.300 -0.142 0.000 0.962 170 D CA 0.708 54.630 54.000 -0.129 0.000 0.860 170 D CB -0.290 40.266 40.800 -0.407 0.000 0.955 170 D HN 0.256 nan 8.370 nan 0.000 0.505 171 D N 0.369 120.711 120.400 -0.097 0.000 2.104 171 D HA -0.113 4.527 4.640 0.000 0.000 0.194 171 D C 2.271 178.538 176.300 -0.055 0.000 0.994 171 D CA 0.513 54.467 54.000 -0.077 0.000 0.830 171 D CB -0.252 40.545 40.800 -0.006 0.000 0.959 171 D HN 0.032 nan 8.370 nan 0.000 0.452 172 V N 1.340 121.253 119.914 -0.003 0.000 2.287 172 V HA -0.274 3.846 4.120 0.000 0.000 0.248 172 V C 2.512 178.619 176.094 0.021 0.000 1.053 172 V CA 1.978 64.281 62.300 0.004 0.000 1.027 172 V CB -0.831 31.015 31.823 0.037 0.000 0.646 172 V HN 0.211 nan 8.190 nan 0.000 0.447 173 A N -0.378 122.480 122.820 0.064 0.000 1.933 173 A HA -0.269 4.051 4.320 0.000 0.000 0.218 173 A C 2.189 179.841 177.584 0.114 0.000 1.175 173 A CA 2.181 54.285 52.037 0.111 0.000 0.628 173 A CB -0.469 18.662 19.000 0.218 0.000 0.814 173 A HN 0.592 nan 8.150 nan 0.000 0.444 174 E N -0.350 119.911 120.200 0.102 0.000 2.072 174 E HA -0.071 4.279 4.350 0.000 0.000 0.190 174 E C 1.799 178.392 176.600 -0.013 0.000 0.982 174 E CA 1.289 57.733 56.400 0.074 0.000 0.803 174 E CB -0.251 29.455 29.700 0.009 0.000 0.755 174 E HN 0.226 nan 8.360 nan 0.000 0.453 175 V N 0.438 120.319 119.914 -0.055 0.000 2.407 175 V HA -0.257 3.863 4.120 0.000 0.000 0.248 175 V C 2.254 178.350 176.094 0.003 0.000 1.055 175 V CA 2.124 64.383 62.300 -0.068 0.000 1.049 175 V CB -0.854 30.890 31.823 -0.132 0.000 0.662 175 V HN 0.361 nan 8.190 nan 0.000 0.455 176 T N 0.754 115.313 114.554 0.008 0.000 2.684 176 T HA -0.266 4.084 4.350 0.000 0.000 0.267 176 T C 1.865 176.579 174.700 0.023 0.000 1.036 176 T CA 2.106 64.218 62.100 0.020 0.000 1.148 176 T CB -0.295 68.583 68.868 0.018 0.000 0.863 176 T HN 0.740 nan 8.240 nan 0.000 0.436 177 K N 1.735 122.148 120.400 0.022 0.000 2.211 177 K HA -0.043 4.277 4.320 0.000 0.000 0.203 177 K C 2.028 178.637 176.600 0.016 0.000 1.050 177 K CA 1.223 57.522 56.287 0.020 0.000 0.945 177 K CB -0.382 32.133 32.500 0.026 0.000 0.732 177 K HN 0.407 nan 8.250 nan 0.000 0.451 178 L N -1.381 119.845 121.223 0.005 0.000 2.477 178 L HA 0.261 4.601 4.340 0.000 0.000 0.220 178 L C 1.685 178.577 176.870 0.036 0.000 1.106 178 L CA 0.752 55.588 54.840 -0.007 0.000 0.851 178 L CB -0.405 41.595 42.059 -0.099 0.000 0.994 178 L HN 0.031 nan 8.230 nan 0.000 0.462 179 L N 0.376 121.638 121.223 0.064 0.000 2.179 179 L HA 0.130 4.470 4.340 0.000 0.000 0.208 179 L C 2.794 179.688 176.870 0.039 0.000 1.096 179 L CA 0.906 55.788 54.840 0.072 0.000 0.779 179 L CB -0.621 41.499 42.059 0.101 0.000 0.922 179 L HN 0.396 nan 8.230 nan 0.000 0.443 180 A N -0.592 122.245 122.820 0.028 0.000 2.015 180 A HA -0.046 4.274 4.320 0.000 0.000 0.219 180 A C 1.456 179.049 177.584 0.016 0.000 1.163 180 A CA 1.114 53.162 52.037 0.018 0.000 0.646 180 A CB -0.667 18.342 19.000 0.014 0.000 0.806 180 A HN 0.343 nan 8.150 nan 0.000 0.448 184 I N 1.348 121.924 120.570 0.009 0.000 2.362 184 I HA 0.416 4.586 4.170 0.000 0.000 0.289 184 I C 0.011 176.133 176.117 0.009 0.000 0.994 184 I CA -0.708 60.603 61.300 0.017 0.000 1.158 184 I CB 1.872 39.919 38.000 0.078 0.000 1.315 184 I HN -0.158 nan 8.210 nan 0.000 0.451 185 K N 4.217 124.610 120.400 -0.012 0.000 2.098 185 K HA 0.481 4.801 4.320 0.000 0.000 0.258 185 K C -0.641 175.943 176.600 -0.027 0.000 0.973 185 K CA -0.625 55.654 56.287 -0.013 0.000 0.898 185 K CB 2.359 34.851 32.500 -0.014 0.000 1.057 185 K HN 0.404 nan 8.250 nan 0.000 0.447 186 V N 3.384 123.284 119.914 -0.022 0.000 2.461 186 V HA 0.060 4.180 4.120 0.000 0.000 0.275 186 V C 0.712 176.791 176.094 -0.025 0.000 1.047 186 V CA -0.039 62.240 62.300 -0.035 0.000 0.955 186 V CB 0.892 32.700 31.823 -0.024 0.000 0.988 186 V HN 0.870 nan 8.190 nan 0.000 0.471 187 N N 3.960 122.640 118.700 -0.034 0.000 2.105 187 N HA -0.049 4.691 4.740 0.000 0.000 0.190 187 N C 0.417 175.926 175.510 -0.000 0.000 1.066 187 N CA 1.681 54.725 53.050 -0.010 0.000 0.861 187 N CB 0.472 38.956 38.487 -0.006 0.000 1.048 187 N HN 0.660 nan 8.380 nan 0.000 0.442 188 V N 0.398 120.314 119.914 0.003 0.000 2.628 188 V HA 0.451 4.571 4.120 0.000 0.000 0.306 188 V C -0.752 175.354 176.094 0.019 0.000 1.045 188 V CA -0.949 61.362 62.300 0.019 0.000 0.905 188 V CB 1.233 33.079 31.823 0.037 0.000 0.997 188 V HN 0.483 nan 8.190 nan 0.000 0.436 189 C N 6.590 125.902 119.300 0.020 0.000 2.295 189 C HA 0.955 5.415 4.460 0.000 0.000 0.331 189 C C 0.322 175.325 174.990 0.022 0.000 1.280 189 C CA 0.502 59.531 59.018 0.018 0.000 1.746 189 C CB -0.413 27.333 27.740 0.010 0.000 2.328 189 C HN 1.619 nan 8.230 nan 0.000 0.521 190 A N 6.778 129.607 122.820 0.015 0.000 2.574 190 A HA 0.755 5.075 4.320 0.000 0.000 0.297 190 A C -2.420 174.937 177.584 -0.379 0.000 1.062 190 A CA -0.918 51.099 52.037 -0.034 0.000 0.686 190 A CB 1.120 20.248 19.000 0.213 0.000 1.285 190 A HN 0.466 nan 8.150 nan 0.000 0.403 191 P HA -0.081 nan 4.420 nan 0.000 0.216 191 P C 0.646 177.870 177.300 -0.127 0.000 1.150 191 P CA 0.616 63.498 63.100 -0.363 0.000 0.837 191 P CB 0.006 31.464 31.700 -0.404 0.000 0.786 192 L N -0.084 121.083 121.223 -0.093 0.000 2.562 192 L HA 0.287 4.627 4.340 0.000 0.000 0.271 192 L C 1.351 178.220 176.870 -0.001 0.000 1.167 192 L CA 1.291 56.121 54.840 -0.016 0.000 0.917 192 L CB -1.015 41.066 42.059 0.037 0.000 1.187 192 L HN 0.389 nan 8.230 nan 0.000 0.482 193 G N 2.880 111.681 108.800 0.002 0.000 2.217 193 G HA2 -0.214 3.746 3.960 0.000 0.000 0.246 193 G HA3 -0.214 3.746 3.960 0.000 0.000 0.246 193 G C 0.417 175.322 174.900 0.009 0.000 0.990 193 G CA 0.137 45.242 45.100 0.008 0.000 0.627 193 G HN 1.191 nan 8.290 nan 0.000 0.522 194 A N 0.289 123.115 122.820 0.010 0.000 2.340 194 A HA 0.803 5.123 4.320 0.000 0.000 0.268 194 A C 0.775 178.372 177.584 0.022 0.000 1.100 194 A CA 0.956 53.009 52.037 0.026 0.000 0.803 194 A CB 0.692 19.724 19.000 0.054 0.000 1.043 194 A HN 1.886 nan 8.150 nan 0.000 0.488 195 S N 1.386 117.101 115.700 0.025 0.000 2.718 195 S HA 0.618 5.088 4.470 0.000 0.000 0.300 195 S C -2.292 172.327 174.600 0.031 0.000 1.117 195 S CA -1.323 56.889 58.200 0.020 0.000 1.002 195 S CB 1.268 64.477 63.200 0.014 0.000 1.092 195 S HN 0.355 nan 8.310 nan 0.000 0.542 196 P HA -0.046 nan 4.420 nan 0.000 0.218 196 P C 0.498 177.814 177.300 0.026 0.000 1.148 196 P CA 1.112 64.229 63.100 0.029 0.000 0.822 196 P CB -0.066 31.645 31.700 0.020 0.000 0.784 197 D N -0.748 119.666 120.400 0.022 0.000 2.178 197 D HA -0.141 4.499 4.640 0.000 0.000 0.201 197 D C 1.538 177.853 176.300 0.023 0.000 0.980 197 D CA 0.999 55.012 54.000 0.020 0.000 0.842 197 D CB -0.663 40.148 40.800 0.018 0.000 0.948 197 D HN 0.181 nan 8.370 nan 0.000 0.472 198 D N 0.056 120.473 120.400 0.029 0.000 2.117 198 D HA -0.105 4.535 4.640 0.000 0.000 0.197 198 D C 2.135 178.459 176.300 0.041 0.000 0.987 198 D CA 0.356 54.376 54.000 0.033 0.000 0.829 198 D CB -0.083 40.740 40.800 0.038 0.000 0.961 198 D HN 0.123 nan 8.370 nan 0.000 0.460 199 L N 0.990 122.243 121.223 0.049 0.000 2.127 199 L HA -0.127 4.213 4.340 0.000 0.000 0.211 199 L C 2.308 179.193 176.870 0.026 0.000 1.089 199 L CA 1.335 56.204 54.840 0.049 0.000 0.757 199 L CB -0.593 41.497 42.059 0.052 0.000 0.899 199 L HN -0.036 nan 8.230 nan 0.000 0.434 200 R N -0.578 119.935 120.500 0.022 0.000 2.237 200 R HA -0.083 4.257 4.340 0.000 0.000 0.219 200 R C 1.336 177.645 176.300 0.015 0.000 1.080 200 R CA 0.669 56.779 56.100 0.015 0.000 0.995 200 R CB -0.119 30.189 30.300 0.014 0.000 0.875 200 R HN 0.334 nan 8.270 nan 0.000 0.462 201 K N 0.359 120.771 120.400 0.020 0.000 2.397 201 K HA 0.155 4.475 4.320 0.000 0.000 0.202 201 K C 1.259 177.871 176.600 0.020 0.000 1.022 201 K CA -0.124 56.174 56.287 0.019 0.000 1.141 201 K CB 0.487 32.999 32.500 0.020 0.000 0.857 201 K HN 0.109 nan 8.250 nan 0.000 0.514 202 L N 0.025 121.260 121.223 0.020 0.000 2.093 202 L HA -0.105 4.235 4.340 0.000 0.000 0.208 202 L C 2.297 179.174 176.870 0.012 0.000 1.085 202 L CA 1.432 56.283 54.840 0.018 0.000 0.755 202 L CB -0.457 41.611 42.059 0.016 0.000 0.904 202 L HN 0.334 nan 8.230 nan 0.000 0.435 203 G N -0.248 108.556 108.800 0.006 0.000 2.498 203 G HA2 -0.242 3.718 3.960 0.000 0.000 0.219 203 G HA3 -0.242 3.718 3.960 0.000 0.000 0.219 203 G C 1.365 176.265 174.900 -0.000 0.000 1.119 203 G CA 0.548 45.646 45.100 -0.003 0.000 0.766 203 G HN 0.629 nan 8.290 nan 0.000 0.552 204 Q N -0.213 119.595 119.800 0.013 0.000 2.444 204 Q HA 0.503 4.843 4.340 0.000 0.000 0.206 204 Q C 1.125 177.164 176.000 0.064 0.000 0.948 204 Q CA 0.298 56.114 55.803 0.022 0.000 0.946 204 Q CB 0.077 28.832 28.738 0.029 0.000 1.027 204 Q HN 0.282 nan 8.270 nan 0.000 0.513 205 A N 0.711 123.571 122.820 0.068 0.000 2.322 205 A HA 0.268 4.588 4.320 0.000 0.000 0.269 205 A C -0.350 177.340 177.584 0.177 0.000 1.094 205 A CA -0.483 51.632 52.037 0.128 0.000 0.807 205 A CB 0.389 19.401 19.000 0.021 0.000 1.047 205 A HN 0.339 nan 8.150 nan 0.000 0.487 206 H N -0.054 119.055 119.070 0.065 0.000 2.448 206 H HA 0.268 4.824 4.556 0.000 0.000 0.292 206 H C 0.014 175.517 175.328 0.291 0.000 1.035 206 H CA 1.829 57.983 56.048 0.176 0.000 1.349 206 H CB -0.055 29.858 29.762 0.253 0.000 1.425 206 H HN 0.649 nan 8.280 nan 0.000 0.539 207 F N -2.548 117.496 119.950 0.156 0.000 2.817 207 F HA 0.490 5.017 4.527 0.000 0.000 0.317 207 F C -1.632 174.239 175.800 0.117 0.000 1.168 207 F CA -1.454 56.614 58.000 0.114 0.000 0.911 207 F CB 1.363 40.415 39.000 0.087 0.000 1.337 207 F HN -0.332 nan 8.300 nan 0.000 0.464 208 N N 0.750 119.509 118.700 0.098 0.000 2.314 208 N HA 0.519 5.259 4.740 0.000 0.000 0.304 208 N C -1.617 173.976 175.510 0.139 0.000 1.073 208 N CA -0.624 52.413 53.050 -0.021 0.000 0.822 208 N CB 2.845 41.389 38.487 0.095 0.000 1.280 208 N HN 0.500 nan 8.380 nan 0.000 0.489 209 V N 2.613 122.546 119.914 0.033 0.000 2.348 209 V HA 0.271 4.391 4.120 0.000 0.000 0.270 209 V C 0.738 176.909 176.094 0.129 0.000 1.037 209 V CA -0.510 61.907 62.300 0.194 0.000 0.872 209 V CB 0.924 32.854 31.823 0.179 0.000 1.002 209 V HN 0.473 nan 8.190 nan 0.000 0.464 213 P HA -0.245 nan 4.420 nan 0.000 0.217 213 P C 1.300 178.684 177.300 0.139 0.000 1.151 213 P CA 2.125 65.301 63.100 0.126 0.000 0.849 213 P CB 0.413 32.176 31.700 0.104 0.000 0.787 214 E N -0.950 119.346 120.200 0.159 0.000 2.268 214 E HA -0.116 4.234 4.350 0.000 0.000 0.195 214 E C 1.373 178.063 176.600 0.151 0.000 0.995 214 E CA 1.933 58.421 56.400 0.147 0.000 0.836 214 E CB -1.398 28.385 29.700 0.139 0.000 0.763 214 E HN 0.397 nan 8.360 nan 0.000 0.491 215 T N -4.201 110.454 114.554 0.169 0.000 2.975 215 T HA 0.364 4.714 4.350 0.000 0.000 0.261 215 T C 1.559 176.366 174.700 0.178 0.000 0.984 215 T CA 0.235 62.422 62.100 0.145 0.000 0.911 215 T CB 0.563 69.504 68.868 0.122 0.000 1.127 215 T HN 0.183 nan 8.240 nan 0.000 0.514 216 G N 0.661 109.573 108.800 0.187 0.000 2.945 216 G HA2 0.201 4.161 3.960 0.000 0.000 0.225 216 G HA3 0.201 4.161 3.960 0.000 0.000 0.225 216 G C 1.043 176.001 174.900 0.096 0.000 1.046 216 G CA 0.232 45.469 45.100 0.228 0.000 0.842 216 G HN 0.481 nan 8.290 nan 0.000 0.543 217 E N 0.943 121.175 120.200 0.053 0.000 2.118 217 E HA -0.127 4.223 4.350 0.000 0.000 0.195 217 E C 2.364 178.900 176.600 -0.106 0.000 0.992 217 E CA 1.432 57.804 56.400 -0.046 0.000 0.804 217 E CB 0.092 29.822 29.700 0.050 0.000 0.741 217 E HN 0.353 nan 8.360 nan 0.000 0.458 218 S N 0.178 115.864 115.700 -0.023 0.000 2.355 218 S HA -0.110 4.360 4.470 0.000 0.000 0.222 218 S C 2.061 176.605 174.600 -0.093 0.000 1.031 218 S CA 0.851 59.029 58.200 -0.035 0.000 0.993 218 S CB -0.243 62.954 63.200 -0.006 0.000 0.859 218 S HN 0.479 nan 8.310 nan 0.000 0.453 219 A N 1.686 124.424 122.820 -0.136 0.000 1.940 219 A HA 0.018 4.338 4.320 0.000 0.000 0.219 219 A C 2.319 179.786 177.584 -0.194 0.000 1.176 219 A CA 1.819 53.707 52.037 -0.249 0.000 0.631 219 A CB -1.048 17.608 19.000 -0.574 0.000 0.814 219 A HN 0.516 nan 8.150 nan 0.000 0.446 220 A N -0.282 122.368 122.820 -0.283 0.000 1.873 220 A HA -0.141 4.179 4.320 0.000 0.000 0.215 220 A C 2.237 179.515 177.584 -0.510 0.000 1.186 220 A CA 1.481 53.200 52.037 -0.530 0.000 0.616 220 A CB -0.474 17.879 19.000 -1.079 0.000 0.823 220 A HN 0.542 nan 8.150 nan 0.000 0.442 221 R N -1.619 118.626 120.500 -0.425 0.000 2.091 221 R HA -0.193 4.147 4.340 0.000 0.000 0.238 221 R C 2.276 178.583 176.300 0.011 0.000 1.136 221 R CA 1.787 57.841 56.100 -0.076 0.000 0.959 221 R CB -0.570 29.740 30.300 0.017 0.000 0.856 221 R HN 0.813 nan 8.270 nan 0.000 0.437 222 H N 0.719 119.734 119.070 -0.093 0.000 2.353 222 H HA -0.039 4.517 4.556 0.000 0.000 0.300 222 H C 1.833 177.129 175.328 -0.053 0.000 1.090 222 H CA 1.580 57.587 56.048 -0.069 0.000 1.327 222 H CB -0.141 29.558 29.762 -0.104 0.000 1.383 222 H HN 0.066 nan 8.280 nan 0.000 0.508 223 L N 0.042 121.189 121.223 -0.127 0.000 2.275 223 L HA -0.091 4.249 4.340 0.000 0.000 0.215 223 L C 2.563 179.387 176.870 -0.077 0.000 1.119 223 L CA 1.360 56.119 54.840 -0.135 0.000 0.790 223 L CB -0.316 41.709 42.059 -0.057 0.000 0.919 223 L HN 0.469 nan 8.230 nan 0.000 0.443 224 E N 0.739 120.937 120.200 -0.003 0.000 2.028 224 E HA -0.229 4.121 4.350 0.000 0.000 0.191 224 E C 2.364 178.965 176.600 0.001 0.000 0.988 224 E CA 1.226 57.673 56.400 0.080 0.000 0.799 224 E CB 0.124 29.962 29.700 0.228 0.000 0.755 224 E HN 0.470 nan 8.360 nan 0.000 0.447 225 R N 0.255 120.726 120.500 -0.048 0.000 2.062 225 R HA 0.048 4.388 4.340 0.000 0.000 0.229 225 R C 2.360 178.581 176.300 -0.133 0.000 1.128 225 R CA 1.118 57.176 56.100 -0.070 0.000 0.960 225 R CB -0.502 29.773 30.300 -0.041 0.000 0.855 225 R HN 0.092 nan 8.270 nan 0.000 0.432 226 A N 1.102 123.753 122.820 -0.282 0.000 1.897 226 A HA -0.047 4.273 4.320 0.000 0.000 0.215 226 A C 1.882 179.375 177.584 -0.151 0.000 1.181 226 A CA 1.175 53.046 52.037 -0.277 0.000 0.620 226 A CB -0.298 18.376 19.000 -0.544 0.000 0.821 226 A HN 0.543 nan 8.150 nan 0.000 0.443 227 C N -0.637 118.584 119.300 -0.132 0.000 2.884 227 C HA 0.325 4.785 4.460 0.000 0.000 0.287 227 C C 0.322 175.291 174.990 -0.035 0.000 1.310 227 C CA -0.531 58.447 59.018 -0.067 0.000 1.725 227 C CB -0.674 27.035 27.740 -0.053 0.000 2.060 227 C HN 0.575 nan 8.230 nan 0.000 0.618 228 K N 0.840 121.222 120.400 -0.031 0.000 3.035 228 K HA -0.227 4.093 4.320 0.000 0.000 0.262 228 K C -0.430 176.187 176.600 0.029 0.000 1.024 228 K CA 0.949 57.234 56.287 -0.004 0.000 0.748 228 K CB -1.707 30.784 32.500 -0.014 0.000 1.247 228 K HN 0.704 nan 8.250 nan 0.000 0.482 229 Q N 0.469 120.302 119.800 0.055 0.000 2.314 229 Q HA 0.304 4.644 4.340 0.000 0.000 0.259 229 Q C -2.332 173.779 176.000 0.185 0.000 0.951 229 Q CA -2.017 53.856 55.803 0.116 0.000 0.909 229 Q CB 1.488 30.290 28.738 0.107 0.000 1.236 229 Q HN -0.018 nan 8.270 nan 0.000 0.444 230 P HA 0.130 nan 4.420 nan 0.000 0.274 230 P C -1.188 176.310 177.300 0.330 0.000 1.231 230 P CA -0.252 62.956 63.100 0.181 0.000 0.790 230 P CB 0.412 32.155 31.700 0.072 0.000 0.951 231 F N -1.968 118.057 119.950 0.126 0.000 2.563 231 F HA 0.647 5.174 4.527 0.000 0.000 0.316 231 F C -0.041 175.845 175.800 0.143 0.000 1.076 231 F CA -1.181 56.915 58.000 0.160 0.000 0.921 231 F CB 0.618 39.690 39.000 0.119 0.000 1.209 231 F HN 0.207 nan 8.300 nan 0.000 0.462 232 T N -0.344 114.389 114.554 0.297 0.000 2.888 232 T HA 0.219 4.569 4.350 0.000 0.000 0.301 232 T C 0.391 175.185 174.700 0.158 0.000 1.001 232 T CA -0.558 61.657 62.100 0.191 0.000 1.147 232 T CB 1.258 70.342 68.868 0.360 0.000 0.931 232 T HN 0.805 nan 8.240 nan 0.000 0.541 233 K N 1.717 122.140 120.400 0.037 0.000 2.361 233 K HA 0.403 4.723 4.320 0.000 0.000 0.194 233 K C 0.218 176.864 176.600 0.076 0.000 1.032 233 K CA 0.189 56.495 56.287 0.031 0.000 1.048 233 K CB 0.207 32.674 32.500 -0.055 0.000 0.842 233 K HN 0.712 nan 8.250 nan 0.000 0.526 234 I N 1.052 121.692 120.570 0.118 0.000 2.377 234 I HA 0.186 4.356 4.170 0.000 0.000 0.293 234 I C -0.675 175.489 176.117 0.079 0.000 0.987 234 I CA -1.116 60.250 61.300 0.110 0.000 1.185 234 I CB 1.949 40.032 38.000 0.139 0.000 1.341 234 I HN -0.350 nan 8.210 nan 0.000 0.455 235 V N 8.221 128.111 119.914 -0.040 0.000 2.350 235 V HA 0.234 4.354 4.120 0.000 0.000 0.276 235 V C -1.804 174.147 176.094 -0.238 0.000 1.028 235 V CA -1.389 60.795 62.300 -0.192 0.000 0.860 235 V CB 1.179 32.886 31.823 -0.193 0.000 0.990 235 V HN 0.610 nan 8.190 nan 0.000 0.453 236 P HA 0.215 nan 4.420 nan 0.000 0.232 236 P C -0.374 176.781 177.300 -0.241 0.000 1.738 236 P CA 0.278 63.150 63.100 -0.379 0.000 0.948 236 P CB -0.276 30.968 31.700 -0.761 0.000 1.943 237 I N 0.661 121.145 120.570 -0.143 0.000 2.355 237 I HA 0.619 4.789 4.170 0.000 0.000 0.288 237 I C 0.675 176.789 176.117 -0.005 0.000 0.999 237 I CA -0.081 61.180 61.300 -0.065 0.000 1.163 237 I CB 1.401 39.382 38.000 -0.030 0.000 1.316 237 I HN 0.230 nan 8.210 nan 0.000 0.454 238 G N 3.543 112.347 108.800 0.007 0.000 2.674 238 G HA2 -0.090 3.870 3.960 0.000 0.000 0.686 238 G HA3 -0.090 3.870 3.960 0.000 0.000 0.686 238 G C 0.109 175.052 174.900 0.072 0.000 1.195 238 G CA -0.631 44.492 45.100 0.038 0.000 0.776 238 G HN 0.373 nan 8.290 nan 0.000 0.654 239 V N 2.042 122.017 119.914 0.102 0.000 2.255 239 V HA -0.047 4.073 4.120 0.000 0.000 0.247 239 V C 3.218 179.404 176.094 0.153 0.000 1.051 239 V CA 3.329 65.733 62.300 0.174 0.000 1.018 239 V CB -1.257 30.631 31.823 0.109 0.000 0.641 239 V HN 1.567 nan 8.190 nan 0.000 0.445 240 G N -0.390 108.471 108.800 0.103 0.000 2.421 240 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 240 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 240 G C 1.766 176.720 174.900 0.090 0.000 1.171 240 G CA 1.135 46.289 45.100 0.090 0.000 0.775 240 G HN 0.634 nan 8.290 nan 0.000 0.543 241 A N 0.191 123.058 122.820 0.079 0.000 1.933 241 A HA -0.007 4.313 4.320 0.000 0.000 0.218 241 A C 2.524 180.161 177.584 0.089 0.000 1.175 241 A CA 2.423 54.500 52.037 0.068 0.000 0.628 241 A CB -0.897 18.123 19.000 0.034 0.000 0.814 241 A HN 0.302 nan 8.150 nan 0.000 0.444 242 T N 0.058 114.657 114.554 0.075 0.000 2.746 242 T HA -0.145 4.205 4.350 0.000 0.000 0.267 242 T C 2.016 176.811 174.700 0.158 0.000 1.039 242 T CA 1.511 63.657 62.100 0.076 0.000 1.142 242 T CB -0.255 68.589 68.868 -0.041 0.000 0.866 242 T HN 0.576 nan 8.240 nan 0.000 0.444 243 R N 1.324 121.917 120.500 0.155 0.000 2.073 243 R HA -0.069 4.271 4.340 0.000 0.000 0.234 243 R C 2.093 178.447 176.300 0.091 0.000 1.134 243 R CA 1.520 57.699 56.100 0.132 0.000 0.952 243 R CB -0.528 29.846 30.300 0.123 0.000 0.850 243 R HN 0.375 nan 8.270 nan 0.000 0.433 244 D N 0.838 121.294 120.400 0.093 0.000 2.117 244 D HA -0.171 4.469 4.640 0.000 0.000 0.197 244 D C 1.650 177.994 176.300 0.072 0.000 0.987 244 D CA 0.933 54.972 54.000 0.065 0.000 0.829 244 D CB -0.457 40.382 40.800 0.064 0.000 0.961 244 D HN 0.074 nan 8.370 nan 0.000 0.460 245 F N 1.575 121.511 119.950 -0.023 0.000 2.063 245 F HA -0.222 4.305 4.527 0.000 0.000 0.298 245 F C 2.090 177.869 175.800 -0.035 0.000 1.109 245 F CA 1.421 59.402 58.000 -0.031 0.000 1.212 245 F CB -0.477 38.497 39.000 -0.043 0.000 0.973 245 F HN -0.103 nan 8.300 nan 0.000 0.480 246 L N -0.258 120.879 121.223 -0.143 0.000 2.201 246 L HA -0.120 4.220 4.340 0.000 0.000 0.212 246 L C 2.720 179.465 176.870 -0.209 0.000 1.105 246 L CA 0.953 55.644 54.840 -0.250 0.000 0.775 246 L CB -1.065 40.961 42.059 -0.055 0.000 0.913 246 L HN 0.285 nan 8.230 nan 0.000 0.440 247 A N -0.131 122.615 122.820 -0.123 0.000 1.897 247 A HA -0.223 4.097 4.320 0.000 0.000 0.215 247 A C 2.279 179.772 177.584 -0.153 0.000 1.181 247 A CA 1.570 53.544 52.037 -0.106 0.000 0.620 247 A CB -0.411 18.558 19.000 -0.052 0.000 0.821 247 A HN 0.460 nan 8.150 nan 0.000 0.443 248 E N -0.030 120.065 120.200 -0.175 0.000 2.038 248 E HA -0.160 4.190 4.350 0.000 0.000 0.195 248 E C 1.796 178.209 176.600 -0.310 0.000 1.000 248 E CA 1.688 57.968 56.400 -0.200 0.000 0.803 248 E CB -0.204 29.408 29.700 -0.148 0.000 0.750 248 E HN 0.254 nan 8.360 nan 0.000 0.448 249 V N 0.715 120.357 119.914 -0.452 0.000 2.469 249 V HA -0.251 3.870 4.120 0.000 0.000 0.251 249 V C 2.482 178.321 176.094 -0.426 0.000 1.064 249 V CA 1.875 63.847 62.300 -0.546 0.000 1.066 249 V CB -0.508 30.954 31.823 -0.602 0.000 0.667 249 V HN 0.333 nan 8.190 nan 0.000 0.461 250 S N -0.468 115.057 115.700 -0.292 0.000 2.368 250 S HA -0.232 4.238 4.470 0.000 0.000 0.224 250 S C 2.069 176.554 174.600 -0.191 0.000 1.029 250 S CA 1.990 60.067 58.200 -0.205 0.000 0.988 250 S CB -0.164 62.951 63.200 -0.143 0.000 0.838 250 S HN 0.614 nan 8.310 nan 0.000 0.462 251 K N 1.075 121.360 120.400 -0.190 0.000 2.057 251 K HA 0.029 4.349 4.320 0.000 0.000 0.206 251 K C 1.849 178.337 176.600 -0.186 0.000 1.050 251 K CA 1.429 57.621 56.287 -0.157 0.000 0.935 251 K CB -0.378 32.041 32.500 -0.135 0.000 0.715 251 K HN 0.306 nan 8.250 nan 0.000 0.439 252 I N 1.349 121.753 120.570 -0.276 0.000 2.179 252 I HA -0.220 3.950 4.170 0.000 0.000 0.242 252 I C 2.313 178.257 176.117 -0.288 0.000 1.088 252 I CA 2.196 63.299 61.300 -0.328 0.000 1.357 252 I CB -1.650 35.989 38.000 -0.602 0.000 1.051 252 I HN 0.508 nan 8.210 nan 0.000 0.409 253 T N -2.528 111.829 114.554 -0.328 0.000 3.040 253 T HA 0.291 4.641 4.350 0.000 0.000 0.252 253 T C 1.686 176.318 174.700 -0.113 0.000 1.064 253 T CA 0.886 62.861 62.100 -0.208 0.000 1.110 253 T CB 0.451 69.180 68.868 -0.232 0.000 0.921 253 T HN 0.471 nan 8.240 nan 0.000 0.480 254 G N 1.384 110.111 108.800 -0.122 0.000 2.217 254 G HA2 -0.204 3.756 3.960 0.000 0.000 0.246 254 G HA3 -0.204 3.756 3.960 0.000 0.000 0.246 254 G C 0.021 174.878 174.900 -0.071 0.000 0.990 254 G CA 0.129 45.180 45.100 -0.081 0.000 0.627 254 G HN 0.632 nan 8.290 nan 0.000 0.522 255 L N 2.775 123.948 121.223 -0.083 0.000 2.461 255 L HA 0.342 4.682 4.340 0.000 0.000 0.272 255 L C -1.121 175.708 176.870 -0.069 0.000 1.197 255 L CA -1.573 53.226 54.840 -0.067 0.000 0.836 255 L CB 0.454 42.472 42.059 -0.068 0.000 1.105 255 L HN 0.066 nan 8.230 nan 0.000 0.477 256 P HA 0.038 nan 4.420 nan 0.000 0.277 256 P C -0.694 176.580 177.300 -0.042 0.000 1.240 256 P CA -0.311 62.763 63.100 -0.043 0.000 0.798 256 P CB 1.405 33.088 31.700 -0.028 0.000 0.979 257 V N 3.309 123.200 119.914 -0.039 0.000 2.427 257 V HA 0.218 4.338 4.120 0.000 0.000 0.268 257 V C -0.558 175.535 176.094 -0.001 0.000 1.046 257 V CA -0.105 62.178 62.300 -0.028 0.000 0.970 257 V CB 0.154 31.959 31.823 -0.030 0.000 1.001 257 V HN 0.213 nan 8.190 nan 0.000 0.476 258 V N 5.979 125.898 119.914 0.009 0.000 2.555 258 V HA 0.745 4.865 4.120 0.000 0.000 0.302 258 V C 0.255 176.385 176.094 0.059 0.000 1.038 258 V CA -0.076 62.241 62.300 0.028 0.000 0.887 258 V CB 1.990 33.824 31.823 0.019 0.000 0.991 258 V HN 1.057 nan 8.190 nan 0.000 0.434 259 T N -0.734 113.875 114.554 0.091 0.000 2.900 259 T HA 0.583 4.933 4.350 0.000 0.000 0.295 259 T C -1.242 173.548 174.700 0.151 0.000 1.044 259 T CA -0.680 61.522 62.100 0.171 0.000 0.995 259 T CB 2.220 71.256 68.868 0.280 0.000 1.072 259 T HN 0.574 nan 8.240 nan 0.000 0.473 260 D N 0.672 121.194 120.400 0.204 0.000 2.460 260 D HA 0.293 4.933 4.640 0.000 0.000 0.232 260 D C 0.185 176.580 176.300 0.159 0.000 1.079 260 D CA -0.505 53.579 54.000 0.139 0.000 0.864 260 D CB 1.299 42.165 40.800 0.109 0.000 1.048 260 D HN 0.699 nan 8.370 nan 0.000 0.523 261 E N 0.953 121.160 120.200 0.012 0.000 2.501 261 E HA -0.002 4.348 4.350 0.000 0.000 0.201 261 E C 1.562 178.088 176.600 -0.124 0.000 1.016 261 E CA 0.004 56.302 56.400 -0.170 0.000 0.920 261 E CB 0.491 30.032 29.700 -0.265 0.000 1.023 261 E HN 0.461 nan 8.360 nan 0.000 0.474 262 S N -0.452 115.220 115.700 -0.047 0.000 2.440 262 S HA -0.149 4.321 4.470 0.000 0.000 0.238 262 S C 1.860 176.434 174.600 -0.043 0.000 1.010 262 S CA 1.312 59.488 58.200 -0.039 0.000 0.972 262 S CB -0.083 63.108 63.200 -0.015 0.000 0.774 262 S HN 0.064 nan 8.310 nan 0.000 0.501 263 T N 0.465 114.994 114.554 -0.042 0.000 3.044 263 T HA 0.396 4.746 4.350 0.000 0.000 0.260 263 T C 0.205 174.852 174.700 -0.088 0.000 1.019 263 T CA -0.463 61.612 62.100 -0.041 0.000 0.921 263 T CB -0.192 68.678 68.868 0.002 0.000 1.053 263 T HN 0.338 nan 8.240 nan 0.000 0.533 264 L N 2.655 123.785 121.223 -0.155 0.000 2.456 264 L HA 0.300 4.640 4.340 0.000 0.000 0.277 264 L C 0.961 177.715 176.870 -0.194 0.000 1.124 264 L CA 0.353 55.049 54.840 -0.240 0.000 0.880 264 L CB 0.323 42.082 42.059 -0.499 0.000 1.192 264 L HN 0.169 nan 8.230 nan 0.000 0.463 265 R N 1.579 121.932 120.500 -0.245 0.000 2.394 265 R HA -0.003 4.337 4.340 0.000 0.000 0.220 265 R C 1.592 177.720 176.300 -0.287 0.000 0.887 265 R CA -0.231 55.692 56.100 -0.295 0.000 1.034 265 R CB 0.276 30.147 30.300 -0.716 0.000 1.179 265 R HN 0.669 nan 8.270 nan 0.000 0.561 266 Q N 1.945 121.543 119.800 -0.337 0.000 2.077 266 Q HA -0.122 4.218 4.340 0.000 0.000 0.206 266 Q C -1.009 174.837 176.000 -0.256 0.000 0.989 266 Q CA 1.862 57.436 55.803 -0.381 0.000 0.853 266 Q CB -0.679 27.920 28.738 -0.232 0.000 0.907 266 Q HN 0.149 nan 8.270 nan 0.000 0.418 267 P HA -0.176 nan 4.420 nan 0.000 0.217 267 P C 1.061 178.407 177.300 0.077 0.000 1.150 267 P CA 1.248 64.337 63.100 -0.018 0.000 0.832 267 P CB -0.719 30.984 31.700 0.004 0.000 0.787 268 W N -1.085 120.211 121.300 -0.006 0.000 2.418 268 W HA -0.089 4.571 4.660 0.000 0.000 0.292 268 W C 1.692 178.255 176.519 0.073 0.000 1.213 268 W CA 0.511 57.890 57.345 0.056 0.000 1.283 268 W CB -0.757 28.773 29.460 0.116 0.000 1.119 268 W HN 0.000 nan 8.180 nan 0.000 0.542 269 W N 0.510 121.510 121.300 -0.500 0.000 2.335 269 W HA -0.241 4.419 4.660 0.000 0.000 0.311 269 W C 2.828 178.942 176.519 -0.674 0.000 1.213 269 W CA 1.555 58.476 57.345 -0.707 0.000 1.274 269 W CB -0.987 27.923 29.460 -0.917 0.000 1.148 269 W HN -0.144 nan 8.180 nan 0.000 0.498 270 S N -0.030 115.415 115.700 -0.424 0.000 2.402 270 S HA -0.071 4.399 4.470 0.000 0.000 0.229 270 S C 1.807 176.332 174.600 -0.125 0.000 1.021 270 S CA 1.328 59.441 58.200 -0.145 0.000 0.974 270 S CB -0.261 62.913 63.200 -0.044 0.000 0.800 270 S HN 0.164 nan 8.310 nan 0.000 0.484 271 A N 1.137 123.840 122.820 -0.194 0.000 2.016 271 A HA 0.195 4.515 4.320 0.000 0.000 0.217 271 A C 1.380 178.747 177.584 -0.361 0.000 1.162 271 A CA 0.809 52.743 52.037 -0.172 0.000 0.662 271 A CB -0.793 18.200 19.000 -0.012 0.000 0.812 271 A HN 0.676 nan 8.150 nan 0.000 0.450 272 S N -0.739 114.530 115.700 -0.719 0.000 2.576 272 S HA 0.190 4.660 4.470 0.000 0.000 0.272 272 S C 1.077 175.469 174.600 -0.347 0.000 1.352 272 S CA 0.011 57.725 58.200 -0.810 0.000 1.021 272 S CB 0.973 63.518 63.200 -1.091 0.000 0.887 272 S HN 0.255 nan 8.310 nan 0.000 0.542 273 V N 1.172 120.939 119.914 -0.245 0.000 2.594 273 V HA -0.128 3.992 4.120 0.000 0.000 0.253 273 V C 2.335 178.409 176.094 -0.033 0.000 1.069 273 V CA 2.120 64.362 62.300 -0.096 0.000 1.082 273 V CB -0.859 30.927 31.823 -0.061 0.000 0.680 273 V HN 0.983 nan 8.190 nan 0.000 0.469 274 D N -0.531 119.831 120.400 -0.064 0.000 2.371 274 D HA -0.062 4.578 4.640 0.000 0.000 0.221 274 D C 1.947 178.376 176.300 0.215 0.000 0.986 274 D CA 0.732 54.757 54.000 0.041 0.000 0.899 274 D CB 0.340 41.132 40.800 -0.013 0.000 0.902 274 D HN 0.419 nan 8.370 nan 0.000 0.530 275 S N -1.002 114.771 115.700 0.123 0.000 2.548 275 S HA -0.066 4.404 4.470 0.000 0.000 0.215 275 S C 1.934 176.587 174.600 0.088 0.000 0.976 275 S CA 0.465 58.755 58.200 0.151 0.000 0.908 275 S CB 0.493 63.772 63.200 0.130 0.000 0.781 275 S HN 0.410 nan 8.310 nan 0.000 0.519 276 T N 0.167 114.793 114.554 0.120 0.000 3.072 276 T HA -0.122 4.228 4.350 0.000 0.000 0.266 276 T C 1.582 176.362 174.700 0.133 0.000 1.127 276 T CA 0.693 62.847 62.100 0.090 0.000 1.107 276 T CB -0.688 68.222 68.868 0.070 0.000 0.910 276 T HN 0.681 nan 8.240 nan 0.000 0.513 277 Y N 0.420 120.753 120.300 0.055 0.000 2.546 277 Y HA 0.448 4.998 4.550 0.000 0.000 0.287 277 Y C 1.626 177.589 175.900 0.104 0.000 1.158 277 Y CA -0.326 57.813 58.100 0.065 0.000 1.307 277 Y CB -0.498 37.993 38.460 0.052 0.000 1.036 277 Y HN 0.158 nan 8.280 nan 0.000 0.532 278 L N 0.410 121.349 121.223 -0.473 0.000 2.395 278 L HA 0.033 4.373 4.340 0.000 0.000 0.218 278 L C 0.635 177.543 176.870 0.065 0.000 1.130 278 L CA 0.169 54.858 54.840 -0.250 0.000 0.826 278 L CB -0.588 41.368 42.059 -0.172 0.000 0.941 278 L HN 0.092 nan 8.230 nan 0.000 0.451 279 T N 1.040 115.611 114.554 0.030 0.000 2.831 279 T HA 0.241 4.591 4.350 0.000 0.000 0.291 279 T C 1.222 175.982 174.700 0.099 0.000 0.981 279 T CA 0.865 63.009 62.100 0.073 0.000 1.174 279 T CB 0.647 69.547 68.868 0.053 0.000 0.929 279 T HN 0.581 nan 8.240 nan 0.000 0.532 280 G N 2.854 111.736 108.800 0.136 0.000 2.179 280 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 280 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 280 G C 0.241 175.189 174.900 0.080 0.000 0.977 280 G CA -0.362 44.802 45.100 0.106 0.000 0.641 280 G HN 0.598 nan 8.290 nan 0.000 0.533 281 K N 0.892 121.350 120.400 0.096 0.000 2.484 281 K HA 0.167 4.487 4.320 0.000 0.000 0.280 281 K C 0.910 177.427 176.600 -0.138 0.000 1.013 281 K CA 0.147 56.395 56.287 -0.066 0.000 1.029 281 K CB 0.373 32.746 32.500 -0.212 0.000 0.902 281 K HN 0.469 nan 8.250 nan 0.000 0.481 282 R N 1.364 121.778 120.500 -0.143 0.000 2.216 282 R HA 0.233 4.573 4.340 0.000 0.000 0.332 282 R C -0.185 176.006 176.300 -0.181 0.000 1.056 282 R CA -0.423 55.613 56.100 -0.107 0.000 0.901 282 R CB 1.016 31.283 30.300 -0.054 0.000 1.039 282 R HN 0.230 nan 8.270 nan 0.000 0.456 283 V N 5.584 125.397 119.914 -0.168 0.000 2.459 283 V HA 0.437 4.557 4.120 0.000 0.000 0.295 283 V C -1.248 174.806 176.094 -0.067 0.000 1.029 283 V CA -0.785 61.393 62.300 -0.204 0.000 0.874 283 V CB 1.309 32.943 31.823 -0.316 0.000 0.985 283 V HN 0.639 nan 8.190 nan 0.000 0.438 284 F N 7.268 127.113 119.950 -0.175 0.000 2.436 284 F HA 0.716 5.243 4.527 0.000 0.000 0.340 284 F C -0.332 175.399 175.800 -0.115 0.000 1.113 284 F CA -0.588 57.340 58.000 -0.120 0.000 1.022 284 F CB 1.262 40.203 39.000 -0.098 0.000 1.128 284 F HN 0.390 nan 8.300 nan 0.000 0.466 285 I N 7.555 127.797 120.570 -0.546 0.000 2.410 285 I HA 0.362 4.532 4.170 0.000 0.000 0.286 285 I C -1.214 174.758 176.117 -0.241 0.000 1.009 285 I CA -0.547 60.567 61.300 -0.311 0.000 1.111 285 I CB 1.586 39.394 38.000 -0.321 0.000 1.262 285 I HN 0.545 nan 8.210 nan 0.000 0.443 286 F N 4.261 124.114 119.950 -0.162 0.000 2.629 286 F HA 0.903 5.430 4.527 0.000 0.000 0.316 286 F C 0.369 176.149 175.800 -0.033 0.000 1.081 286 F CA 0.141 58.097 58.000 -0.073 0.000 0.954 286 F CB 2.313 41.392 39.000 0.131 0.000 1.337 286 F HN 0.577 nan 8.300 nan 0.000 0.474 287 G N 2.183 110.580 108.800 -0.672 0.000 2.278 287 G HA2 0.178 4.138 3.960 0.000 0.000 0.265 287 G HA3 0.178 4.138 3.960 0.000 0.000 0.265 287 G C -1.957 172.481 174.900 -0.770 0.000 1.329 287 G CA -0.454 44.451 45.100 -0.324 0.000 1.017 287 G HN 0.898 nan 8.290 nan 0.000 0.472 288 D N 0.341 120.391 120.400 -0.583 0.000 2.344 288 D HA 0.484 5.124 4.640 0.000 0.000 0.244 288 D C 1.669 177.769 176.300 -0.333 0.000 1.134 288 D CA 0.866 54.468 54.000 -0.663 0.000 0.930 288 D CB 0.695 41.283 40.800 -0.353 0.000 1.175 288 D HN 1.017 nan 8.370 nan 0.000 0.437 289 G N 0.392 109.018 108.800 -0.290 0.000 2.491 289 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 289 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 289 G C 1.429 176.277 174.900 -0.087 0.000 1.180 289 G CA 1.451 46.447 45.100 -0.175 0.000 0.774 289 G HN 0.599 nan 8.290 nan 0.000 0.562 290 T N 0.318 114.848 114.554 -0.041 0.000 2.665 290 T HA -0.138 4.212 4.350 0.000 0.000 0.268 290 T C 2.120 176.746 174.700 -0.122 0.000 1.035 290 T CA 1.901 63.956 62.100 -0.073 0.000 1.151 290 T CB -0.320 68.504 68.868 -0.073 0.000 0.862 290 T HN 0.537 nan 8.240 nan 0.000 0.438 291 H N -0.384 118.695 119.070 0.016 0.000 2.436 291 H HA 0.164 4.720 4.556 0.000 0.000 0.294 291 H C 2.242 177.569 175.328 -0.001 0.000 1.048 291 H CA 0.610 56.688 56.048 0.050 0.000 1.353 291 H CB -0.242 29.566 29.762 0.076 0.000 1.414 291 H HN 0.121 nan 8.280 nan 0.000 0.536 292 V N 0.584 120.502 119.914 0.007 0.000 2.307 292 V HA -0.210 3.910 4.120 0.000 0.000 0.245 292 V C 2.219 178.273 176.094 -0.066 0.000 1.045 292 V CA 1.690 63.938 62.300 -0.086 0.000 1.024 292 V CB -0.420 31.278 31.823 -0.208 0.000 0.651 292 V HN 0.369 nan 8.190 nan 0.000 0.449 293 I N 0.498 121.040 120.570 -0.046 0.000 2.179 293 I HA -0.245 3.925 4.170 0.000 0.000 0.242 293 I C 2.684 178.827 176.117 0.043 0.000 1.088 293 I CA 1.554 62.851 61.300 -0.006 0.000 1.357 293 I CB -0.619 37.384 38.000 0.004 0.000 1.051 293 I HN 0.280 nan 8.210 nan 0.000 0.409 294 A N 0.733 123.579 122.820 0.044 0.000 1.883 294 A HA -0.193 4.127 4.320 0.000 0.000 0.217 294 A C 2.534 180.221 177.584 0.172 0.000 1.186 294 A CA 2.016 54.104 52.037 0.085 0.000 0.624 294 A CB -0.926 18.104 19.000 0.050 0.000 0.822 294 A HN 0.440 nan 8.150 nan 0.000 0.444 295 A N -0.282 122.659 122.820 0.202 0.000 1.930 295 A HA 0.194 4.514 4.320 0.000 0.000 0.217 295 A C 2.490 180.193 177.584 0.198 0.000 1.175 295 A CA 1.970 54.202 52.037 0.325 0.000 0.627 295 A CB -0.975 18.113 19.000 0.147 0.000 0.815 295 A HN 1.070 nan 8.150 nan 0.000 0.443 296 A N -0.098 122.740 122.820 0.029 0.000 1.908 296 A HA -0.201 4.119 4.320 0.000 0.000 0.218 296 A C 2.260 179.919 177.584 0.124 0.000 1.181 296 A CA 1.860 53.836 52.037 -0.102 0.000 0.627 296 A CB -0.495 18.266 19.000 -0.398 0.000 0.818 296 A HN 0.578 nan 8.150 nan 0.000 0.445 297 R N -0.304 120.330 120.500 0.224 0.000 2.075 297 R HA -0.043 4.297 4.340 0.000 0.000 0.232 297 R C 1.937 178.367 176.300 0.216 0.000 1.126 297 R CA 1.563 57.821 56.100 0.263 0.000 0.963 297 R CB -0.393 30.024 30.300 0.195 0.000 0.858 297 R HN 0.541 nan 8.270 nan 0.000 0.435 298 I N 1.000 121.709 120.570 0.233 0.000 2.142 298 I HA -0.261 3.909 4.170 0.000 0.000 0.240 298 I C 2.658 178.930 176.117 0.259 0.000 1.078 298 I CA 1.351 62.790 61.300 0.232 0.000 1.343 298 I CB -0.541 37.605 38.000 0.243 0.000 1.046 298 I HN 0.294 nan 8.210 nan 0.000 0.405 299 A N 0.881 123.927 122.820 0.376 0.000 1.884 299 A HA -0.282 4.038 4.320 0.000 0.000 0.219 299 A C 2.506 180.189 177.584 0.164 0.000 1.197 299 A CA 2.613 54.834 52.037 0.307 0.000 0.637 299 A CB -1.077 18.131 19.000 0.346 0.000 0.827 299 A HN 0.475 nan 8.150 nan 0.000 0.450 300 A N -1.440 121.507 122.820 0.211 0.000 1.874 300 A HA -0.015 4.305 4.320 0.000 0.000 0.214 300 A C 1.990 179.655 177.584 0.135 0.000 1.189 300 A CA 1.572 53.736 52.037 0.212 0.000 0.615 300 A CB -0.147 19.072 19.000 0.365 0.000 0.830 300 A HN 0.372 nan 8.150 nan 0.000 0.443 301 K N -0.592 119.886 120.400 0.130 0.000 2.353 301 K HA 0.176 4.496 4.320 0.000 0.000 0.195 301 K C 0.773 177.409 176.600 0.059 0.000 1.031 301 K CA 0.559 56.897 56.287 0.085 0.000 1.079 301 K CB 0.621 33.172 32.500 0.085 0.000 0.857 301 K HN 0.650 nan 8.250 nan 0.000 0.535 302 E N -0.081 120.151 120.200 0.055 0.000 2.414 302 E HA 0.055 4.406 4.350 0.000 0.000 0.208 302 E C 1.399 178.004 176.600 0.008 0.000 0.820 302 E CA 0.169 56.590 56.400 0.036 0.000 1.143 302 E CB 0.803 30.533 29.700 0.049 0.000 1.150 302 E HN -0.121 nan 8.360 nan 0.000 0.540 303 V N -0.471 119.402 119.914 -0.069 0.000 3.379 303 V HA 0.235 4.355 4.120 0.000 0.000 0.249 303 V C 1.349 177.261 176.094 -0.302 0.000 1.184 303 V CA 0.890 63.053 62.300 -0.229 0.000 1.106 303 V CB 0.922 32.422 31.823 -0.539 0.000 0.826 303 V HN 0.447 nan 8.190 nan 0.000 0.465 304 G N 0.205 108.891 108.800 -0.190 0.000 2.144 304 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 304 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 304 G C -0.076 174.866 174.900 0.071 0.000 0.988 304 G CA -0.283 44.791 45.100 -0.043 0.000 0.659 304 G HN 0.226 nan 8.290 nan 0.000 0.522 305 F N 0.926 120.911 119.950 0.059 0.000 2.480 305 F HA 0.489 5.016 4.527 0.000 0.000 0.319 305 F C 1.111 176.936 175.800 0.041 0.000 1.230 305 F CA -0.901 57.117 58.000 0.030 0.000 1.285 305 F CB 0.509 39.523 39.000 0.022 0.000 1.208 305 F HN 0.128 nan 8.300 nan 0.000 0.579 306 E N 0.858 121.200 120.200 0.236 0.000 2.113 306 E HA 0.380 4.730 4.350 0.000 0.000 0.273 306 E C -1.464 175.189 176.600 0.088 0.000 0.924 306 E CA -0.506 55.978 56.400 0.140 0.000 0.764 306 E CB 1.209 30.963 29.700 0.091 0.000 1.104 306 E HN 0.324 nan 8.360 nan 0.000 0.406 307 V N 5.383 125.341 119.914 0.074 0.000 2.439 307 V HA 0.021 4.141 4.120 0.000 0.000 0.271 307 V C 0.800 176.873 176.094 -0.034 0.000 1.040 307 V CA -0.008 62.266 62.300 -0.043 0.000 1.002 307 V CB 1.171 32.865 31.823 -0.214 0.000 1.000 307 V HN 0.622 nan 8.190 nan 0.000 0.477 308 V N 4.022 123.912 119.914 -0.041 0.000 3.477 308 V HA 0.628 4.748 4.120 0.000 0.000 0.297 308 V C 0.793 176.907 176.094 0.035 0.000 1.433 308 V CA 1.119 63.429 62.300 0.017 0.000 1.052 308 V CB 0.368 32.214 31.823 0.037 0.000 0.895 308 V HN 1.033 nan 8.190 nan 0.000 0.438 312 C N -1.798 117.174 119.300 -0.548 0.000 3.288 312 C HA 0.754 5.214 4.460 0.000 0.000 0.318 312 C C 0.729 175.348 174.990 -0.618 0.000 1.356 312 C CA -0.544 57.893 59.018 -0.968 0.000 1.359 312 C CB 0.424 27.788 27.740 -0.626 0.000 1.688 312 C HN 1.461 nan 8.230 nan 0.000 0.467 313 Y N 0.827 120.789 120.300 -0.564 0.000 2.478 313 Y HA 0.330 4.880 4.550 0.000 0.000 0.261 313 Y C 0.684 176.532 175.900 -0.087 0.000 1.127 313 Y CA 0.151 58.113 58.100 -0.231 0.000 1.288 313 Y CB -0.285 37.935 38.460 -0.401 0.000 1.084 313 Y HN 0.712 nan 8.280 nan 0.000 0.530 314 N N 1.818 120.396 118.700 -0.202 0.000 2.457 314 N HA 0.124 4.864 4.740 0.000 0.000 0.250 314 N C 0.212 175.710 175.510 -0.021 0.000 0.982 314 N CA -0.536 52.504 53.050 -0.017 0.000 0.941 314 N CB 1.118 39.565 38.487 -0.067 0.000 1.120 314 N HN 0.138 nan 8.380 nan 0.000 0.505 315 R N 1.206 121.730 120.500 0.039 0.000 2.139 315 R HA -0.104 4.236 4.340 0.000 0.000 0.243 315 R C 0.055 176.367 176.300 0.021 0.000 1.145 315 R CA 1.099 57.215 56.100 0.028 0.000 0.976 315 R CB -0.618 29.706 30.300 0.040 0.000 0.866 315 R HN 0.663 nan 8.270 nan 0.000 0.449 319 R N 0.613 121.118 120.500 0.008 0.000 2.062 319 R HA 0.008 4.348 4.340 0.000 0.000 0.229 319 R C -1.031 175.278 176.300 0.014 0.000 1.128 319 R CA 1.539 57.648 56.100 0.014 0.000 0.960 319 R CB -1.878 28.434 30.300 0.021 0.000 0.855 319 R HN 0.361 nan 8.270 nan 0.000 0.432 320 P HA -0.140 nan 4.420 nan 0.000 0.216 320 P C 1.543 178.849 177.300 0.010 0.000 1.150 320 P CA 0.846 63.956 63.100 0.017 0.000 0.837 320 P CB -0.030 31.681 31.700 0.018 0.000 0.786 321 L N -0.497 120.721 121.223 -0.009 0.000 2.044 321 L HA -0.040 4.300 4.340 0.000 0.000 0.205 321 L C 2.433 179.303 176.870 -0.001 0.000 1.075 321 L CA 1.753 56.580 54.840 -0.022 0.000 0.747 321 L CB -0.773 41.246 42.059 -0.067 0.000 0.903 321 L HN -0.255 nan 8.230 nan 0.000 0.435 322 R N -1.301 119.201 120.500 0.003 0.000 2.105 322 R HA -0.142 4.198 4.340 0.000 0.000 0.239 322 R C 2.044 178.362 176.300 0.030 0.000 1.135 322 R CA 1.902 58.012 56.100 0.016 0.000 0.967 322 R CB -0.704 29.605 30.300 0.015 0.000 0.861 322 R HN 0.404 nan 8.270 nan 0.000 0.442 323 T N 0.577 115.148 114.554 0.028 0.000 2.777 323 T HA -0.110 4.240 4.350 0.000 0.000 0.266 323 T C 1.891 176.621 174.700 0.050 0.000 1.040 323 T CA 1.337 63.456 62.100 0.031 0.000 1.141 323 T CB -0.181 68.702 68.868 0.024 0.000 0.868 323 T HN 0.383 nan 8.240 nan 0.000 0.444 324 A N 1.632 124.493 122.820 0.068 0.000 1.855 324 A HA 0.218 4.538 4.320 0.000 0.000 0.215 324 A C 2.687 180.411 177.584 0.233 0.000 1.191 324 A CA 1.736 53.854 52.037 0.135 0.000 0.613 324 A CB -1.268 17.810 19.000 0.130 0.000 0.829 324 A HN 0.483 nan 8.150 nan 0.000 0.442 325 A N -0.125 122.793 122.820 0.164 0.000 1.986 325 A HA 0.072 4.392 4.320 0.000 0.000 0.220 325 A C 2.421 180.130 177.584 0.209 0.000 1.171 325 A CA 2.228 54.376 52.037 0.185 0.000 0.640 325 A CB -0.948 18.080 19.000 0.047 0.000 0.811 325 A HN 1.144 nan 8.150 nan 0.000 0.451 326 A N -0.278 122.612 122.820 0.116 0.000 2.015 326 A HA -0.125 4.196 4.320 0.000 0.000 0.219 326 A C 1.785 179.392 177.584 0.038 0.000 1.163 326 A CA 1.493 53.572 52.037 0.068 0.000 0.646 326 A CB -0.441 18.581 19.000 0.037 0.000 0.806 326 A HN 0.657 nan 8.150 nan 0.000 0.448 327 E N -1.593 118.604 120.200 -0.006 0.000 2.338 327 E HA -0.141 4.209 4.350 0.000 0.000 0.197 327 E C 0.651 177.082 176.600 -0.281 0.000 1.007 327 E CA 0.951 57.246 56.400 -0.175 0.000 0.849 327 E CB -0.183 29.333 29.700 -0.307 0.000 0.774 327 E HN 0.883 nan 8.360 nan 0.000 0.506 328 Y N -0.787 119.516 120.300 0.005 0.000 2.458 328 Y HA 0.266 4.816 4.550 0.000 0.000 0.256 328 Y C 1.511 177.416 175.900 0.008 0.000 1.159 328 Y CA 0.157 58.262 58.100 0.008 0.000 1.261 328 Y CB 0.973 39.434 38.460 0.003 0.000 1.119 328 Y HN 0.038 nan 8.280 nan 0.000 0.524 329 G N 0.586 109.457 108.800 0.118 0.000 2.147 329 G HA2 -0.248 3.712 3.960 0.000 0.000 0.244 329 G HA3 -0.248 3.712 3.960 0.000 0.000 0.244 329 G C -0.588 174.360 174.900 0.079 0.000 1.005 329 G CA -0.160 44.986 45.100 0.077 0.000 0.713 329 G HN 0.102 nan 8.290 nan 0.000 0.515 330 L N 0.034 121.315 121.223 0.097 0.000 2.342 330 L HA 0.658 4.998 4.340 0.000 0.000 0.271 330 L C 0.319 177.219 176.870 0.049 0.000 1.008 330 L CA -1.378 53.501 54.840 0.064 0.000 0.818 330 L CB 1.809 43.894 42.059 0.043 0.000 1.296 330 L HN 0.296 nan 8.230 nan 0.000 0.427 331 E N 1.202 121.424 120.200 0.036 0.000 2.200 331 E HA 0.568 4.918 4.350 0.000 0.000 0.283 331 E C -0.661 175.953 176.600 0.022 0.000 1.015 331 E CA -0.730 55.688 56.400 0.031 0.000 0.819 331 E CB 1.305 31.024 29.700 0.032 0.000 1.081 331 E HN 0.728 nan 8.360 nan 0.000 0.397 332 A N 5.069 127.899 122.820 0.015 0.000 2.520 332 A HA 0.087 4.407 4.320 0.000 0.000 0.245 332 A C -0.139 177.464 177.584 0.032 0.000 1.072 332 A CA -0.120 51.918 52.037 0.002 0.000 0.761 332 A CB 0.227 19.222 19.000 -0.008 0.000 1.004 332 A HN 0.724 nan 8.150 nan 0.000 0.499 333 L N 4.767 126.024 121.223 0.056 0.000 2.283 333 L HA 0.293 4.633 4.340 0.000 0.000 0.287 333 L C -0.929 176.032 176.870 0.152 0.000 1.073 333 L CA -0.479 54.437 54.840 0.127 0.000 0.822 333 L CB 0.231 42.417 42.059 0.213 0.000 1.186 333 L HN 0.511 nan 8.230 nan 0.000 0.436 334 I N 4.298 124.936 120.570 0.113 0.000 2.328 334 I HA 0.409 4.579 4.170 0.000 0.000 0.287 334 I C 0.118 176.319 176.117 0.140 0.000 1.012 334 I CA -0.099 61.261 61.300 0.100 0.000 1.195 334 I CB 1.013 39.042 38.000 0.048 0.000 1.350 334 I HN 0.479 nan 8.210 nan 0.000 0.464 335 T N 3.856 118.537 114.554 0.211 0.000 2.893 335 T HA 0.251 4.601 4.350 0.000 0.000 0.337 335 T C -0.602 174.271 174.700 0.289 0.000 1.587 335 T CA -0.509 61.719 62.100 0.214 0.000 1.066 335 T CB 1.550 70.522 68.868 0.174 0.000 1.414 335 T HN 0.708 nan 8.240 nan 0.000 0.488 336 D N 1.362 121.920 120.400 0.263 0.000 2.440 336 D HA 0.211 4.851 4.640 0.000 0.000 0.216 336 D C -0.127 176.454 176.300 0.468 0.000 1.150 336 D CA -0.186 54.029 54.000 0.359 0.000 0.832 336 D CB 0.357 41.339 40.800 0.302 0.000 0.992 336 D HN 0.370 nan 8.370 nan 0.000 0.502 337 D N 0.623 121.220 120.400 0.327 0.000 2.412 337 D HA 0.047 4.687 4.640 0.000 0.000 0.224 337 D C 1.078 177.496 176.300 0.196 0.000 1.093 337 D CA -0.879 53.267 54.000 0.244 0.000 0.850 337 D CB 0.375 41.219 40.800 0.073 0.000 1.046 337 D HN 0.174 nan 8.370 nan 0.000 0.507 338 Y N 3.002 123.466 120.300 0.273 0.000 2.333 338 Y HA -0.055 4.495 4.550 0.000 0.000 0.290 338 Y C 1.322 177.194 175.900 -0.047 0.000 1.144 338 Y CA 0.814 58.974 58.100 0.101 0.000 1.228 338 Y CB -0.473 37.932 38.460 -0.092 0.000 0.985 338 Y HN 0.353 nan 8.280 nan 0.000 0.542 339 L N 0.112 120.795 121.223 -0.901 0.000 2.201 339 L HA -0.114 4.226 4.340 0.000 0.000 0.212 339 L C 2.477 179.168 176.870 -0.298 0.000 1.105 339 L CA 1.541 56.007 54.840 -0.623 0.000 0.775 339 L CB -0.375 41.324 42.059 -0.600 0.000 0.913 339 L HN 0.223 nan 8.230 nan 0.000 0.440 340 E N -0.117 119.956 120.200 -0.211 0.000 2.107 340 E HA -0.128 4.222 4.350 0.000 0.000 0.191 340 E C 2.147 178.657 176.600 -0.150 0.000 0.982 340 E CA 0.774 57.098 56.400 -0.127 0.000 0.809 340 E CB 0.039 29.707 29.700 -0.054 0.000 0.756 340 E HN 0.151 nan 8.360 nan 0.000 0.459 341 V N 0.871 120.662 119.914 -0.206 0.000 2.287 341 V HA -0.270 3.850 4.120 0.000 0.000 0.248 341 V C 2.356 178.262 176.094 -0.313 0.000 1.053 341 V CA 2.259 64.367 62.300 -0.320 0.000 1.027 341 V CB -0.535 30.999 31.823 -0.481 0.000 0.646 341 V HN 0.360 nan 8.190 nan 0.000 0.447 342 E N -0.013 120.039 120.200 -0.247 0.000 2.110 342 E HA -0.255 4.095 4.350 0.000 0.000 0.193 342 E C 2.283 178.748 176.600 -0.225 0.000 0.988 342 E CA 1.356 57.618 56.400 -0.231 0.000 0.804 342 E CB -0.017 29.580 29.700 -0.170 0.000 0.745 342 E HN 0.576 nan 8.360 nan 0.000 0.458 343 K N -0.136 120.150 120.400 -0.189 0.000 2.025 343 K HA -0.099 4.221 4.320 0.000 0.000 0.207 343 K C 2.117 178.621 176.600 -0.159 0.000 1.049 343 K CA 1.097 57.294 56.287 -0.150 0.000 0.933 343 K CB -0.118 32.316 32.500 -0.110 0.000 0.714 343 K HN 0.099 nan 8.250 nan 0.000 0.438 344 A N 1.111 123.830 122.820 -0.168 0.000 1.972 344 A HA -0.120 4.200 4.320 0.000 0.000 0.219 344 A C 2.045 179.418 177.584 -0.351 0.000 1.169 344 A CA 1.196 53.154 52.037 -0.133 0.000 0.635 344 A CB -0.514 18.509 19.000 0.039 0.000 0.810 344 A HN 0.184 nan 8.150 nan 0.000 0.446 345 I N -0.748 119.449 120.570 -0.620 0.000 2.286 345 I HA -0.212 3.958 4.170 0.000 0.000 0.245 345 I C 2.490 178.380 176.117 -0.378 0.000 1.104 345 I CA 1.351 62.188 61.300 -0.772 0.000 1.397 345 I CB -0.362 37.181 38.000 -0.763 0.000 1.072 345 I HN 0.407 nan 8.210 nan 0.000 0.417 346 E N 1.004 121.044 120.200 -0.266 0.000 2.051 346 E HA -0.215 4.135 4.350 0.000 0.000 0.192 346 E C 2.346 178.869 176.600 -0.129 0.000 0.991 346 E CA 1.335 57.632 56.400 -0.172 0.000 0.799 346 E CB -0.200 29.417 29.700 -0.139 0.000 0.748 346 E HN 0.489 nan 8.360 nan 0.000 0.449 347 A N 1.261 124.012 122.820 -0.116 0.000 1.933 347 A HA -0.114 4.206 4.320 0.000 0.000 0.218 347 A C 2.294 179.849 177.584 -0.050 0.000 1.175 347 A CA 1.724 53.720 52.037 -0.068 0.000 0.628 347 A CB -0.460 18.511 19.000 -0.047 0.000 0.814 347 A HN 0.290 nan 8.150 nan 0.000 0.444 348 A N -1.404 121.380 122.820 -0.060 0.000 2.123 348 A HA 0.476 4.796 4.320 0.000 0.000 0.214 348 A C 1.499 179.064 177.584 -0.032 0.000 1.152 348 A CA 1.128 53.162 52.037 -0.006 0.000 0.728 348 A CB -0.887 18.171 19.000 0.095 0.000 0.814 348 A HN 1.993 nan 8.150 nan 0.000 0.464 349 A N -0.074 122.698 122.820 -0.079 0.000 2.415 349 A HA -0.092 4.228 4.320 0.000 0.000 0.292 349 A C -1.459 176.082 177.584 -0.072 0.000 1.452 349 A CA 0.622 52.611 52.037 -0.081 0.000 0.750 349 A CB -1.871 17.092 19.000 -0.061 0.000 1.099 349 A HN 0.517 nan 8.150 nan 0.000 0.391 350 P HA 0.290 nan 4.420 nan 0.000 0.275 350 P C 0.537 177.776 177.300 -0.102 0.000 1.266 350 P CA -0.133 62.925 63.100 -0.068 0.000 0.793 350 P CB 0.604 32.285 31.700 -0.031 0.000 1.074 351 E N -1.037 119.086 120.200 -0.129 0.000 2.389 351 E HA 0.168 4.518 4.350 0.000 0.000 0.199 351 E C 0.072 176.566 176.600 -0.177 0.000 0.978 351 E CA 0.086 56.398 56.400 -0.146 0.000 0.912 351 E CB 0.253 29.864 29.700 -0.149 0.000 0.907 351 E HN 0.155 nan 8.360 nan 0.000 0.494 352 L N 0.644 121.735 121.223 -0.220 0.000 2.409 352 L HA 0.484 4.824 4.340 0.000 0.000 0.262 352 L C -1.799 174.968 176.870 -0.173 0.000 0.992 352 L CA -0.651 54.049 54.840 -0.234 0.000 0.817 352 L CB 1.915 43.740 42.059 -0.389 0.000 1.350 352 L HN -0.143 nan 8.230 nan 0.000 0.411 353 I N 5.155 125.646 120.570 -0.131 0.000 2.418 353 I HA 0.408 4.578 4.170 0.000 0.000 0.287 353 I C -0.991 175.059 176.117 -0.111 0.000 1.008 353 I CA -0.480 60.785 61.300 -0.057 0.000 1.104 353 I CB 1.690 39.671 38.000 -0.032 0.000 1.264 353 I HN 0.402 nan 8.210 nan 0.000 0.438 354 L N 6.274 127.413 121.223 -0.141 0.000 2.287 354 L HA 0.819 5.159 4.340 0.000 0.000 0.287 354 L C 0.451 177.286 176.870 -0.058 0.000 1.022 354 L CA -0.140 54.565 54.840 -0.225 0.000 0.814 354 L CB 1.408 43.174 42.059 -0.488 0.000 1.217 354 L HN 0.818 nan 8.230 nan 0.000 0.420 355 G N 1.123 109.915 108.800 -0.014 0.000 2.664 355 G HA2 0.472 4.432 3.960 0.000 0.000 0.303 355 G HA3 0.472 4.432 3.960 0.000 0.000 0.303 355 G C -0.689 174.246 174.900 0.059 0.000 1.243 355 G CA 0.106 45.263 45.100 0.094 0.000 0.826 355 G HN 0.463 nan 8.290 nan 0.000 0.498 356 T N -1.974 112.679 114.554 0.165 0.000 2.852 356 T HA 0.562 4.912 4.350 0.000 0.000 0.281 356 T C 0.675 175.401 174.700 0.043 0.000 0.993 356 T CA -0.085 62.092 62.100 0.128 0.000 0.933 356 T CB 1.290 70.364 68.868 0.342 0.000 1.187 356 T HN 0.545 nan 8.240 nan 0.000 0.559 360 R N 1.085 121.522 120.500 -0.104 0.000 2.127 360 R HA 0.004 4.344 4.340 0.000 0.000 0.238 360 R C 1.297 177.520 176.300 -0.129 0.000 1.134 360 R CA 1.399 57.442 56.100 -0.095 0.000 0.975 360 R CB -0.155 30.097 30.300 -0.080 0.000 0.865 360 R HN 0.214 nan 8.270 nan 0.000 0.447 361 N N 0.451 119.036 118.700 -0.191 0.000 2.290 361 N HA -0.036 4.704 4.740 0.000 0.000 0.179 361 N C 1.984 177.393 175.510 -0.168 0.000 1.016 361 N CA 0.760 53.692 53.050 -0.197 0.000 0.871 361 N CB 0.008 38.332 38.487 -0.271 0.000 0.987 361 N HN 0.174 nan 8.380 nan 0.000 0.431 362 I N 1.647 122.111 120.570 -0.177 0.000 2.208 362 I HA -0.254 3.916 4.170 0.000 0.000 0.245 362 I C 2.424 178.463 176.117 -0.129 0.000 1.097 362 I CA 1.075 62.287 61.300 -0.146 0.000 1.363 362 I CB -0.245 37.662 38.000 -0.155 0.000 1.051 362 I HN 0.063 nan 8.210 nan 0.000 0.413 363 A N 0.162 122.909 122.820 -0.122 0.000 1.969 363 A HA -0.156 4.164 4.320 0.000 0.000 0.218 363 A C 2.281 179.813 177.584 -0.087 0.000 1.169 363 A CA 1.254 53.228 52.037 -0.103 0.000 0.635 363 A CB -0.258 18.689 19.000 -0.088 0.000 0.810 363 A HN 0.156 nan 8.150 nan 0.000 0.445 364 K N 0.393 120.741 120.400 -0.086 0.000 2.002 364 K HA -0.100 4.220 4.320 0.000 0.000 0.209 364 K C 1.882 178.439 176.600 -0.070 0.000 1.048 364 K CA 1.762 58.006 56.287 -0.072 0.000 0.930 364 K CB -0.472 31.984 32.500 -0.074 0.000 0.714 364 K HN 0.516 nan 8.250 nan 0.000 0.438 365 K N 0.612 120.963 120.400 -0.081 0.000 2.032 365 K HA -0.068 4.252 4.320 0.000 0.000 0.209 365 K C 2.058 178.616 176.600 -0.070 0.000 1.048 365 K CA 1.159 57.403 56.287 -0.073 0.000 0.927 365 K CB -0.169 32.284 32.500 -0.077 0.000 0.712 365 K HN 0.036 nan 8.250 nan 0.000 0.441 366 L N -0.299 120.875 121.223 -0.081 0.000 2.552 366 L HA 0.076 4.416 4.340 0.000 0.000 0.227 366 L C 0.897 177.725 176.870 -0.071 0.000 1.146 366 L CA 0.333 55.124 54.840 -0.081 0.000 0.858 366 L CB -0.271 41.726 42.059 -0.102 0.000 0.969 366 L HN 0.454 nan 8.230 nan 0.000 0.451 367 G N 1.062 109.824 108.800 -0.063 0.000 2.246 367 G HA2 -0.268 3.692 3.960 0.000 0.000 0.273 367 G HA3 -0.268 3.692 3.960 0.000 0.000 0.273 367 G C -0.151 174.712 174.900 -0.061 0.000 1.055 367 G CA -0.037 45.031 45.100 -0.053 0.000 0.851 367 G HN 0.245 nan 8.290 nan 0.000 0.500 368 L N -0.375 120.805 121.223 -0.071 0.000 2.346 368 L HA 0.497 4.837 4.340 0.000 0.000 0.274 368 L C -1.986 174.842 176.870 -0.071 0.000 1.007 368 L CA -2.590 52.202 54.840 -0.080 0.000 0.818 368 L CB 2.000 44.000 42.059 -0.098 0.000 1.284 368 L HN -0.143 nan 8.230 nan 0.000 0.424 369 P HA -0.018 nan 4.420 nan 0.000 0.262 369 P C -0.924 176.338 177.300 -0.063 0.000 1.182 369 P CA -0.093 62.972 63.100 -0.059 0.000 0.761 369 P CB 0.479 32.139 31.700 -0.067 0.000 0.795 370 C N 3.530 122.810 119.300 -0.034 0.000 2.698 370 C HA 0.862 5.322 4.460 0.000 0.000 0.309 370 C C -0.841 174.156 174.990 0.012 0.000 1.186 370 C CA -0.079 58.919 59.018 -0.033 0.000 1.474 370 C CB 0.782 28.500 27.740 -0.038 0.000 2.020 370 C HN 0.694 nan 8.230 nan 0.000 0.474 371 A N 3.798 126.614 122.820 -0.007 0.000 2.454 371 A HA 0.832 5.152 4.320 0.000 0.000 0.302 371 A C -1.355 176.248 177.584 0.032 0.000 1.079 371 A CA -0.403 51.672 52.037 0.064 0.000 0.731 371 A CB 1.440 20.536 19.000 0.160 0.000 1.299 371 A HN 0.961 nan 8.150 nan 0.000 0.413 372 V N 2.139 122.114 119.914 0.103 0.000 2.370 372 V HA 0.328 4.448 4.120 0.000 0.000 0.279 372 V C 0.586 176.722 176.094 0.070 0.000 1.029 372 V CA 0.255 62.582 62.300 0.045 0.000 0.870 372 V CB 0.850 32.711 31.823 0.064 0.000 0.984 372 V HN 0.817 nan 8.190 nan 0.000 0.451 373 I N 1.630 122.155 120.570 -0.076 0.000 4.240 373 I HA 0.533 4.704 4.170 0.000 0.000 0.331 373 I C 0.470 176.327 176.117 -0.433 0.000 1.381 373 I CA 0.165 61.468 61.300 0.005 0.000 1.136 373 I CB 0.812 38.887 38.000 0.125 0.000 1.137 373 I HN 0.483 nan 8.210 nan 0.000 0.411 374 S N 0.851 116.057 115.700 -0.823 0.000 2.547 374 S HA 0.795 5.265 4.470 0.000 0.000 0.270 374 S C -0.521 173.678 174.600 -0.669 0.000 1.150 374 S CA -0.180 57.518 58.200 -0.837 0.000 0.850 374 S CB 1.433 64.455 63.200 -0.297 0.000 1.118 374 S HN 0.431 nan 8.310 nan 0.000 0.461 375 A N 3.635 126.211 122.820 -0.407 0.000 2.406 375 A HA 0.632 4.952 4.320 0.000 0.000 0.243 375 A C -2.403 175.292 177.584 0.184 0.000 1.082 375 A CA -0.936 51.074 52.037 -0.046 0.000 0.786 375 A CB -0.588 18.454 19.000 0.070 0.000 1.029 375 A HN 0.640 nan 8.150 nan 0.000 0.495 376 P HA 0.367 nan 4.420 nan 0.000 0.272 376 P C -0.847 176.554 177.300 0.168 0.000 1.223 376 P CA -0.025 63.156 63.100 0.136 0.000 0.784 376 P CB 1.017 32.777 31.700 0.100 0.000 0.923 377 V N 2.422 122.452 119.914 0.194 0.000 2.852 377 V HA 0.184 4.304 4.120 0.000 0.000 0.300 377 V C 0.175 176.463 176.094 0.324 0.000 1.205 377 V CA -0.666 61.793 62.300 0.264 0.000 0.940 377 V CB 1.756 33.733 31.823 0.257 0.000 1.047 377 V HN 0.832 nan 8.190 nan 0.000 0.429 378 H N 3.659 122.817 119.070 0.146 0.000 2.408 378 H HA 0.308 4.864 4.556 0.000 0.000 0.352 378 H C 1.453 176.868 175.328 0.145 0.000 1.607 378 H CA 0.382 56.494 56.048 0.106 0.000 1.445 378 H CB 0.781 30.586 29.762 0.072 0.000 1.664 378 H HN 0.363 nan 8.280 nan 0.000 0.605 379 V N 0.371 120.162 119.914 -0.206 0.000 2.439 379 V HA -0.317 3.803 4.120 0.000 0.000 0.253 379 V C 2.697 178.660 176.094 -0.217 0.000 1.074 379 V CA 2.778 64.969 62.300 -0.182 0.000 1.076 379 V CB -0.838 30.909 31.823 -0.127 0.000 0.664 379 V HN 0.837 nan 8.190 nan 0.000 0.461 380 Q N 0.387 119.822 119.800 -0.609 0.000 2.112 380 Q HA -0.227 4.113 4.340 0.000 0.000 0.206 380 Q C 1.679 177.651 176.000 -0.047 0.000 0.987 380 Q CA 2.448 58.074 55.803 -0.294 0.000 0.858 380 Q CB -0.439 28.134 28.738 -0.276 0.000 0.905 380 Q HN 0.732 nan 8.270 nan 0.000 0.420 381 D N -0.874 119.553 120.400 0.045 0.000 2.325 381 D HA -0.007 4.633 4.640 0.000 0.000 0.234 381 D C -0.733 175.552 176.300 -0.025 0.000 1.122 381 D CA 0.181 54.252 54.000 0.118 0.000 0.850 381 D CB 0.067 41.054 40.800 0.311 0.000 0.921 381 D HN 0.176 nan 8.370 nan 0.000 0.513 382 F N 1.976 121.900 119.950 -0.043 0.000 2.319 382 F HA 0.280 4.807 4.527 0.000 0.000 0.356 382 F C -1.961 173.806 175.800 -0.055 0.000 1.100 382 F CA -2.124 55.841 58.000 -0.058 0.000 1.220 382 F CB 0.974 39.940 39.000 -0.057 0.000 1.506 382 F HN -0.198 nan 8.300 nan 0.000 0.512 383 P HA 0.295 nan 4.420 nan 0.000 0.277 383 P C 0.400 177.714 177.300 0.023 0.000 1.240 383 P CA -0.286 62.816 63.100 0.002 0.000 0.798 383 P CB 1.430 33.105 31.700 -0.043 0.000 0.979 384 A N 2.439 125.277 122.820 0.029 0.000 1.968 384 A HA -0.069 4.251 4.320 0.000 0.000 0.217 384 A C 1.181 178.790 177.584 0.042 0.000 1.169 384 A CA 0.859 52.918 52.037 0.037 0.000 0.638 384 A CB -0.681 18.338 19.000 0.032 0.000 0.812 384 A HN 0.703 nan 8.150 nan 0.000 0.446 385 R N -1.950 118.571 120.500 0.035 0.000 2.615 385 R HA 0.325 4.665 4.340 0.000 0.000 0.270 385 R C -0.392 175.956 176.300 0.080 0.000 1.081 385 R CA -0.545 55.589 56.100 0.057 0.000 1.154 385 R CB 0.051 30.377 30.300 0.044 0.000 1.063 385 R HN 0.270 nan 8.270 nan 0.000 0.519 386 Y N 1.096 121.378 120.300 -0.030 0.000 2.650 386 Y HA 0.192 4.742 4.550 0.000 0.000 0.331 386 Y C -0.152 175.715 175.900 -0.055 0.000 1.165 386 Y CA 0.573 58.649 58.100 -0.040 0.000 1.473 386 Y CB 0.506 38.949 38.460 -0.030 0.000 1.224 386 Y HN 0.811 nan 8.280 nan 0.000 0.533 387 A N 8.339 130.925 122.820 -0.390 0.000 3.106 387 A HA 0.318 4.638 4.320 0.000 0.000 0.227 387 A C -2.836 174.495 177.584 -0.421 0.000 0.920 387 A CA -1.118 50.721 52.037 -0.331 0.000 1.088 387 A CB -0.278 18.586 19.000 -0.226 0.000 1.233 387 A HN 0.531 nan 8.150 nan 0.000 0.503 388 P HA 0.163 nan 4.420 nan 0.000 0.270 388 P C -0.476 176.678 177.300 -0.244 0.000 1.223 388 P CA 0.382 63.235 63.100 -0.411 0.000 0.785 388 P CB 0.790 32.224 31.700 -0.443 0.000 0.923 392 F N 0.475 120.409 119.950 -0.026 0.000 2.163 392 F HA 0.153 4.680 4.527 0.000 0.000 0.297 392 F C 2.580 178.349 175.800 -0.052 0.000 1.094 392 F CA 1.569 59.548 58.000 -0.035 0.000 1.290 392 F CB -0.395 38.594 39.000 -0.019 0.000 1.017 392 F HN 0.507 nan 8.300 nan 0.000 0.483 393 E N 0.387 120.679 120.200 0.154 0.000 2.150 393 E HA -0.065 4.285 4.350 0.000 0.000 0.193 393 E C 2.492 179.085 176.600 -0.012 0.000 0.985 393 E CA 1.334 57.780 56.400 0.076 0.000 0.814 393 E CB -0.820 28.973 29.700 0.154 0.000 0.752 393 E HN 0.264 nan 8.360 nan 0.000 0.466 394 G N 0.339 109.115 108.800 -0.041 0.000 2.422 394 G HA2 -0.242 3.719 3.960 0.000 0.000 0.218 394 G HA3 -0.242 3.719 3.960 0.000 0.000 0.218 394 G C 1.713 176.569 174.900 -0.074 0.000 1.146 394 G CA 1.058 46.108 45.100 -0.083 0.000 0.769 394 G HN 0.446 nan 8.290 nan 0.000 0.547 395 A N 1.399 124.201 122.820 -0.029 0.000 1.902 395 A HA -0.119 4.201 4.320 0.000 0.000 0.217 395 A C 2.296 179.827 177.584 -0.088 0.000 1.181 395 A CA 1.956 53.964 52.037 -0.048 0.000 0.623 395 A CB -0.450 18.567 19.000 0.028 0.000 0.818 395 A HN 0.356 nan 8.150 nan 0.000 0.443 396 N N 0.179 118.823 118.700 -0.093 0.000 2.120 396 N HA -0.117 4.623 4.740 0.000 0.000 0.188 396 N C 1.701 177.153 175.510 -0.098 0.000 1.024 396 N CA 1.594 54.556 53.050 -0.147 0.000 0.852 396 N CB -0.678 37.704 38.487 -0.175 0.000 1.003 396 N HN 0.274 nan 8.380 nan 0.000 0.424 397 V N 1.791 121.649 119.914 -0.093 0.000 2.295 397 V HA -0.151 3.969 4.120 0.000 0.000 0.246 397 V C 2.429 178.454 176.094 -0.115 0.000 1.049 397 V CA 1.154 63.403 62.300 -0.084 0.000 1.024 397 V CB -0.561 31.203 31.823 -0.099 0.000 0.648 397 V HN 0.224 nan 8.190 nan 0.000 0.447 398 L N -1.316 119.779 121.223 -0.213 0.000 2.042 398 L HA -0.219 4.121 4.340 0.000 0.000 0.210 398 L C 2.370 178.863 176.870 -0.628 0.000 1.076 398 L CA 1.901 56.428 54.840 -0.522 0.000 0.749 398 L CB -0.611 41.042 42.059 -0.676 0.000 0.893 398 L HN 0.339 nan 8.230 nan 0.000 0.432 399 F N 1.173 120.864 119.950 -0.431 0.000 2.075 399 F HA -0.264 4.263 4.527 0.000 0.000 0.297 399 F C 2.368 178.126 175.800 -0.070 0.000 1.113 399 F CA 1.844 59.688 58.000 -0.259 0.000 1.218 399 F CB -0.201 38.696 39.000 -0.173 0.000 0.984 399 F HN 0.108 nan 8.300 nan 0.000 0.472 400 D N -0.570 119.904 120.400 0.123 0.000 2.123 400 D HA -0.165 4.475 4.640 0.000 0.000 0.196 400 D C 2.233 178.596 176.300 0.104 0.000 0.992 400 D CA 2.007 56.091 54.000 0.140 0.000 0.833 400 D CB -0.587 40.284 40.800 0.119 0.000 0.954 400 D HN 0.306 nan 8.370 nan 0.000 0.455 401 T N -0.029 114.565 114.554 0.067 0.000 2.857 401 T HA -0.119 4.231 4.350 0.000 0.000 0.266 401 T C 1.504 176.428 174.700 0.372 0.000 1.048 401 T CA 0.645 62.857 62.100 0.186 0.000 1.139 401 T CB -0.073 68.905 68.868 0.184 0.000 0.874 401 T HN 0.237 nan 8.240 nan 0.000 0.455 402 W N 0.634 121.960 121.300 0.044 0.000 2.523 402 W HA 0.249 4.909 4.660 0.000 0.000 0.278 402 W C 2.146 178.683 176.519 0.029 0.000 1.236 402 W CA -0.610 56.767 57.345 0.053 0.000 1.306 402 W CB -1.291 28.221 29.460 0.086 0.000 1.101 402 W HN 0.074 nan 8.180 nan 0.000 0.577 403 V N -0.299 119.707 119.914 0.153 0.000 2.535 403 V HA -0.240 3.880 4.120 0.000 0.000 0.246 403 V C 2.175 178.359 176.094 0.150 0.000 1.045 403 V CA 2.105 64.442 62.300 0.063 0.000 1.058 403 V CB -1.079 30.631 31.823 -0.188 0.000 0.689 403 V HN 0.131 nan 8.190 nan 0.000 0.461 404 H N 1.805 120.938 119.070 0.105 0.000 2.289 404 H HA -0.175 4.381 4.556 0.000 0.000 0.294 404 H C -0.149 175.241 175.328 0.103 0.000 1.095 404 H CA 2.867 58.983 56.048 0.113 0.000 1.256 404 H CB -1.317 28.512 29.762 0.112 0.000 1.359 404 H HN 0.319 nan 8.280 nan 0.000 0.487 405 P HA -0.144 nan 4.420 nan 0.000 0.216 405 P C 1.686 178.956 177.300 -0.050 0.000 1.150 405 P CA 1.385 64.458 63.100 -0.045 0.000 0.837 405 P CB -0.074 31.659 31.700 0.055 0.000 0.786 406 L N -0.885 120.345 121.223 0.013 0.000 2.017 406 L HA -0.079 4.261 4.340 0.000 0.000 0.208 406 L C 1.562 178.476 176.870 0.073 0.000 1.073 406 L CA 0.733 55.600 54.840 0.045 0.000 0.745 406 L CB -1.113 40.998 42.059 0.086 0.000 0.894 406 L HN -0.047 nan 8.230 nan 0.000 0.432 410 L N 1.724 122.958 121.223 0.017 0.000 2.056 410 L HA 0.288 4.628 4.340 0.000 0.000 0.207 410 L C 2.333 179.223 176.870 0.034 0.000 1.078 410 L CA 3.072 57.933 54.840 0.034 0.000 0.749 410 L CB -0.386 41.688 42.059 0.024 0.000 0.901 410 L HN 0.464 nan 8.230 nan 0.000 0.433 411 E N -0.820 119.386 120.200 0.010 0.000 2.077 411 E HA -0.239 4.111 4.350 0.000 0.000 0.193 411 E C 1.935 178.533 176.600 -0.004 0.000 0.989 411 E CA 1.286 57.690 56.400 0.007 0.000 0.800 411 E CB -0.037 29.668 29.700 0.008 0.000 0.746 411 E HN 0.525 nan 8.360 nan 0.000 0.452 412 E N -0.198 120.001 120.200 -0.000 0.000 2.106 412 E HA -0.199 4.151 4.350 0.000 0.000 0.192 412 E C 1.947 178.527 176.600 -0.033 0.000 0.984 412 E CA 1.171 57.564 56.400 -0.011 0.000 0.806 412 E CB -0.381 29.318 29.700 -0.002 0.000 0.750 412 E HN 0.465 nan 8.360 nan 0.000 0.458 413 H N 0.433 119.445 119.070 -0.097 0.000 2.389 413 H HA 0.031 4.587 4.556 0.000 0.000 0.299 413 H C 2.124 177.323 175.328 -0.215 0.000 1.081 413 H CA 1.166 57.139 56.048 -0.125 0.000 1.345 413 H CB -0.077 29.628 29.762 -0.094 0.000 1.393 413 H HN 0.027 nan 8.280 nan 0.000 0.520 414 L N -0.400 120.677 121.223 -0.244 0.000 2.109 414 L HA -0.117 4.223 4.340 0.000 0.000 0.207 414 L C 2.347 178.682 176.870 -0.892 0.000 1.086 414 L CA 0.647 55.163 54.840 -0.541 0.000 0.760 414 L CB -0.273 41.629 42.059 -0.261 0.000 0.910 414 L HN 0.336 nan 8.230 nan 0.000 0.437 415 L N -0.442 120.548 121.223 -0.388 0.000 2.017 415 L HA -0.131 4.209 4.340 0.000 0.000 0.208 415 L C 1.748 178.477 176.870 -0.236 0.000 1.073 415 L CA 1.235 55.959 54.840 -0.193 0.000 0.745 415 L CB -0.819 41.226 42.059 -0.025 0.000 0.894 415 L HN 0.445 nan 8.230 nan 0.000 0.432 419 R N 0.429 121.008 120.500 0.132 0.000 2.428 419 R HA 0.190 4.530 4.340 0.000 0.000 0.193 419 R C 0.823 177.153 176.300 0.050 0.000 0.852 419 R CA 0.666 56.817 56.100 0.085 0.000 1.055 419 R CB 0.190 30.515 30.300 0.041 0.000 1.343 419 R HN 0.642 nan 8.270 nan 0.000 0.655 420 E N 0.000 120.220 120.200 0.034 0.000 2.725 420 E HA 0.000 4.350 4.350 0.000 0.000 0.291 420 E CA 0.000 56.411 56.400 0.018 0.000 0.976 420 E CB 0.000 29.703 29.700 0.004 0.000 0.812 420 E HN 0.000 nan 8.360 nan 0.000 0.440