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 1ms9_1_B DATA FIRST_RESID 2 DATA SEQUENCE APGSSRVELF KRQSSKVPFE KDGKVTERVV HSFRLPALVN VDGVMVAIAD DATA SEQUENCE ARYETSFDNS LIDTVAKYSV DDGETWETQI AIKNSRASSV SRVVDPTVIV DATA SEQUENCE KGNKLYVLVG SYNSSRSYWT SHGDARDWDI LLAVGEVTKS TAGGKITASI DATA SEQUENCE KWGSPVSLKE FFPAEMEGMH TNQFLGGAGV AIVASNGNLV YPVQVTNKKK DATA SEQUENCE QVFSKIFYSE DEGKTWKFGK GRSAFGCSEP VALEWEGKLI INTRVDYRRR DATA SEQUENCE LVYESSDMGN TWLEAVGTLS RVWGPSPKSN QPGSQSSFTA VTIEGMRVML DATA SEQUENCE FTHPLNFKGR WLRDRLNLWL TDNQRIYNVG QVSIGDENSA YSSVLYKDDK DATA SEQUENCE LYCLHEINSN EVYSLVFARL VGELRIIKSV LQSWKNWDSH LSSIcTPAXX DATA SEQUENCE XXXXXXXGcG PAVTTVGLVG FLSHSATKTE WEDAYRCVNA STANAERVPN DATA SEQUENCE GLKFAGVGGG ALWPVSQQGQ NQRYHFANHA FTLVASVTIH EVPKGASPLL DATA SEQUENCE GASLDSSGGK KLLGLSYDKR HQWQPIYGST PVTPTGSWEM GKRYHVVLTM DATA SEQUENCE ANKIGSVYID GEPLEGSGQT VVPDERTPDI SHFYVGGYKR SGMPTDSRVT DATA SEQUENCE VNNVLLYNRQ LNAEEIRTLF LSQDLIGTEA HM 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 2 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 3 P HA 0.452 nan 4.420 nan 0.000 0.268 3 P C 1.254 178.549 177.300 -0.007 0.000 1.204 3 P CA 1.822 64.919 63.100 -0.004 0.000 0.768 3 P CB 1.014 32.713 31.700 -0.002 0.000 0.842 4 G N 1.621 110.418 108.800 -0.005 0.000 2.258 4 G HA2 -0.239 5.289 3.960 2.612 0.000 0.233 4 G HA3 -0.239 5.289 3.960 2.612 0.000 0.233 4 G C 0.531 175.425 174.900 -0.010 0.000 1.006 4 G CA 0.040 45.136 45.100 -0.006 0.000 0.620 4 G HN 0.594 nan 8.290 nan 0.000 0.511 5 S N 0.480 116.172 115.700 -0.013 0.000 2.593 5 S HA 0.705 6.743 4.470 2.612 0.000 0.269 5 S C 0.455 175.053 174.600 -0.005 0.000 1.334 5 S CA 0.610 58.799 58.200 -0.018 0.000 1.015 5 S CB 1.509 64.696 63.200 -0.021 0.000 0.912 5 S HN 1.799 nan 8.310 nan 0.000 0.541 6 S N 0.804 116.502 115.700 -0.003 0.000 2.643 6 S HA 0.825 6.863 4.470 2.612 0.000 0.270 6 S C -1.145 173.464 174.600 0.015 0.000 1.166 6 S CA -1.275 56.933 58.200 0.014 0.000 0.815 6 S CB 1.846 65.063 63.200 0.028 0.000 1.139 6 S HN 0.996 nan 8.310 nan 0.000 0.472 7 R N -0.901 119.618 120.500 0.032 0.000 2.716 7 R HA 0.804 6.712 4.340 2.612 0.000 0.271 7 R C -1.694 174.646 176.300 0.067 0.000 1.028 7 R CA -0.972 55.151 56.100 0.039 0.000 0.883 7 R CB 1.065 31.367 30.300 0.004 0.000 1.250 7 R HN 1.279 nan 8.270 nan 0.000 0.465 8 V N -2.235 117.741 119.914 0.103 0.000 2.914 8 V HA 0.531 6.218 4.120 2.612 0.000 0.314 8 V C -0.413 175.706 176.094 0.041 0.000 1.084 8 V CA -0.959 61.390 62.300 0.083 0.000 0.963 8 V CB 1.911 33.805 31.823 0.119 0.000 1.025 8 V HN 0.947 nan 8.190 nan 0.000 0.432 9 E N 1.587 121.788 120.200 0.001 0.000 1.941 9 E HA 0.221 6.138 4.350 2.612 0.000 0.275 9 E C 0.287 176.839 176.600 -0.081 0.000 1.113 9 E CA -0.421 55.961 56.400 -0.030 0.000 0.878 9 E CB 1.241 30.927 29.700 -0.023 0.000 1.070 9 E HN 0.762 nan 8.360 nan 0.000 0.399 10 L N 5.338 126.490 121.223 -0.118 0.000 2.102 10 L HA 0.134 6.041 4.340 2.612 0.000 0.202 10 L C -0.004 176.549 176.870 -0.529 0.000 1.076 10 L CA 1.518 56.147 54.840 -0.351 0.000 0.761 10 L CB 0.162 41.949 42.059 -0.453 0.000 0.921 10 L HN 0.391 nan 8.230 nan 0.000 0.444 11 F N 1.752 121.405 119.950 -0.494 0.000 2.293 11 F HA 0.346 6.441 4.527 2.613 0.000 0.370 11 F C 0.279 175.812 175.800 -0.444 0.000 1.090 11 F CA -0.713 56.788 58.000 -0.832 0.000 1.133 11 F CB 0.303 38.547 39.000 -1.260 0.000 1.360 11 F HN -0.198 nan 8.300 nan 0.000 0.489 12 K N 4.000 124.338 120.400 -0.105 0.000 2.284 12 K HA 0.265 6.153 4.320 2.612 0.000 0.287 12 K C 0.005 176.764 176.600 0.265 0.000 1.081 12 K CA -1.015 55.315 56.287 0.071 0.000 0.910 12 K CB 0.696 33.204 32.500 0.012 0.000 1.088 12 K HN 0.409 nan 8.250 nan 0.000 0.478 13 R N 2.437 123.092 120.500 0.258 0.000 2.638 13 R HA -0.120 5.788 4.340 2.612 0.000 0.268 13 R C -0.072 176.268 176.300 0.067 0.000 1.006 13 R CA 0.342 56.548 56.100 0.178 0.000 1.088 13 R CB -0.579 29.747 30.300 0.043 0.000 0.950 13 R HN 0.771 nan 8.270 nan 0.000 0.419 14 Q N -0.752 119.052 119.800 0.005 0.000 2.439 14 Q HA -0.313 5.594 4.340 2.612 0.000 0.247 14 Q C 0.273 176.293 176.000 0.035 0.000 0.899 14 Q CA 1.570 57.365 55.803 -0.014 0.000 1.201 14 Q CB -1.430 27.262 28.738 -0.076 0.000 1.608 14 Q HN 0.871 nan 8.270 nan 0.000 0.563 15 S N -1.970 113.782 115.700 0.086 0.000 3.448 15 S HA 0.159 6.196 4.470 2.612 0.000 0.254 15 S C 0.291 174.949 174.600 0.097 0.000 1.102 15 S CA 0.275 58.518 58.200 0.072 0.000 0.797 15 S CB 0.616 63.844 63.200 0.047 0.000 0.891 15 S HN 0.244 nan 8.310 nan 0.000 0.474 16 S N 2.611 118.406 115.700 0.157 0.000 2.562 16 S HA 0.365 6.403 4.470 2.612 0.000 0.281 16 S C -0.469 174.259 174.600 0.213 0.000 1.333 16 S CA 0.093 58.376 58.200 0.139 0.000 1.052 16 S CB 0.668 63.912 63.200 0.072 0.000 0.884 16 S HN 0.390 nan 8.310 nan 0.000 0.506 17 K N 1.362 121.844 120.400 0.137 0.000 2.156 17 K HA 0.695 6.583 4.320 2.612 0.000 0.250 17 K C -0.578 176.123 176.600 0.168 0.000 0.955 17 K CA -0.855 55.525 56.287 0.154 0.000 0.855 17 K CB 1.573 34.135 32.500 0.104 0.000 1.101 17 K HN 0.460 nan 8.250 nan 0.000 0.434 18 V N -1.569 118.475 119.914 0.217 0.000 2.962 18 V HA 0.548 6.235 4.120 2.612 0.000 0.313 18 V C -2.720 173.516 176.094 0.236 0.000 1.099 18 V CA -2.680 59.754 62.300 0.224 0.000 0.971 18 V CB 1.863 33.850 31.823 0.272 0.000 1.028 18 V HN 0.631 nan 8.190 nan 0.000 0.430 19 P HA 0.189 nan 4.420 nan 0.000 0.260 19 P C -0.775 176.637 177.300 0.187 0.000 1.651 19 P CA 0.152 63.348 63.100 0.160 0.000 1.139 19 P CB -0.196 31.569 31.700 0.108 0.000 1.756 20 F N 3.512 123.512 119.950 0.084 0.000 2.466 20 F HA 0.199 6.293 4.527 2.612 0.000 0.363 20 F C 0.513 176.307 175.800 -0.010 0.000 1.109 20 F CA -0.484 57.535 58.000 0.030 0.000 1.161 20 F CB 0.507 39.456 39.000 -0.084 0.000 1.117 20 F HN 0.214 nan 8.300 nan 0.000 0.539 21 E N 7.229 127.048 120.200 -0.636 0.000 2.175 21 E HA 0.295 6.213 4.350 2.612 0.000 0.278 21 E C -1.388 174.784 176.600 -0.714 0.000 0.969 21 E CA -0.786 55.316 56.400 -0.497 0.000 0.796 21 E CB 1.122 30.674 29.700 -0.246 0.000 1.104 21 E HN 0.727 nan 8.360 nan 0.000 0.395 22 K N 4.280 124.403 120.400 -0.463 0.000 2.581 22 K HA 0.146 6.033 4.320 2.612 0.000 0.249 22 K C -1.298 175.216 176.600 -0.143 0.000 0.966 22 K CA -0.452 55.646 56.287 -0.315 0.000 0.811 22 K CB 0.927 33.281 32.500 -0.243 0.000 1.223 22 K HN 0.496 nan 8.250 nan 0.000 0.438 23 D N 3.349 123.687 120.400 -0.104 0.000 2.723 23 D HA -0.179 6.029 4.640 2.612 0.000 0.236 23 D C 0.640 176.910 176.300 -0.051 0.000 1.138 23 D CA 2.001 55.965 54.000 -0.060 0.000 0.676 23 D CB -1.157 39.620 40.800 -0.037 0.000 1.069 23 D HN 1.111 nan 8.370 nan 0.000 0.430 24 G N -0.220 108.543 108.800 -0.062 0.000 2.184 24 G HA2 -0.375 5.153 3.960 2.612 0.000 0.264 24 G HA3 -0.375 5.153 3.960 2.612 0.000 0.264 24 G C 0.287 175.163 174.900 -0.040 0.000 0.975 24 G CA 0.833 45.907 45.100 -0.044 0.000 0.642 24 G HN 0.656 nan 8.290 nan 0.000 0.536 25 K N 0.330 120.698 120.400 -0.053 0.000 2.292 25 K HA 0.644 6.531 4.320 2.612 0.000 0.257 25 K C -0.500 176.071 176.600 -0.049 0.000 0.940 25 K CA -0.725 55.542 56.287 -0.033 0.000 0.811 25 K CB 1.888 34.379 32.500 -0.014 0.000 1.120 25 K HN 0.032 nan 8.250 nan 0.000 0.428 26 V N 3.249 123.152 119.914 -0.019 0.000 2.435 26 V HA 0.404 6.091 4.120 2.612 0.000 0.290 26 V C -0.498 175.624 176.094 0.045 0.000 1.030 26 V CA -0.559 61.738 62.300 -0.006 0.000 0.881 26 V CB 1.738 33.565 31.823 0.005 0.000 0.983 26 V HN 0.885 nan 8.190 nan 0.000 0.445 27 T N 3.334 117.948 114.554 0.099 0.000 2.886 27 T HA 0.347 6.264 4.350 2.612 0.000 0.292 27 T C -0.592 174.197 174.700 0.147 0.000 1.012 27 T CA -0.663 61.508 62.100 0.118 0.000 0.982 27 T CB 1.674 70.623 68.868 0.134 0.000 1.018 27 T HN 0.583 nan 8.240 nan 0.000 0.451 28 E N 2.699 122.964 120.200 0.108 0.000 2.265 28 E HA 0.139 6.056 4.350 2.612 0.000 0.272 28 E C 0.001 176.669 176.600 0.114 0.000 1.067 28 E CA 0.111 56.579 56.400 0.114 0.000 0.900 28 E CB 0.820 30.568 29.700 0.080 0.000 1.017 28 E HN 0.393 nan 8.360 nan 0.000 0.431 29 R N 2.320 122.914 120.500 0.156 0.000 2.561 29 R HA 0.330 6.237 4.340 2.612 0.000 0.297 29 R C -0.760 175.634 176.300 0.155 0.000 0.969 29 R CA -0.705 55.466 56.100 0.118 0.000 0.879 29 R CB 1.251 31.591 30.300 0.066 0.000 1.178 29 R HN 0.205 nan 8.270 nan 0.000 0.445 30 V N 4.318 124.294 119.914 0.102 0.000 2.740 30 V HA 0.112 5.799 4.120 2.612 0.000 0.303 30 V C -0.016 176.143 176.094 0.108 0.000 1.054 30 V CA -0.115 62.247 62.300 0.104 0.000 1.106 30 V CB 1.384 33.245 31.823 0.064 0.000 0.957 30 V HN 0.472 nan 8.190 nan 0.000 0.486 31 V N 4.250 124.187 119.914 0.039 0.000 2.417 31 V HA 0.254 5.941 4.120 2.612 0.000 0.291 31 V C 1.023 177.010 176.094 -0.178 0.000 1.024 31 V CA -0.427 61.764 62.300 -0.181 0.000 0.861 31 V CB 1.209 32.643 31.823 -0.648 0.000 0.985 31 V HN 0.983 nan 8.190 nan 0.000 0.436 32 H N 2.875 121.821 119.070 -0.206 0.000 2.293 32 H HA 0.011 6.135 4.556 2.613 0.000 0.300 32 H C 0.433 175.673 175.328 -0.147 0.000 1.082 32 H CA 1.706 57.681 56.048 -0.122 0.000 1.308 32 H CB 0.645 30.363 29.762 -0.073 0.000 1.375 32 H HN 0.594 nan 8.280 nan 0.000 0.495 33 S N -1.046 114.607 115.700 -0.077 0.000 2.546 33 S HA 0.453 6.490 4.470 2.612 0.000 0.274 33 S C -1.549 172.832 174.600 -0.365 0.000 1.121 33 S CA -0.644 57.526 58.200 -0.050 0.000 0.887 33 S CB 1.881 65.210 63.200 0.216 0.000 1.094 33 S HN 0.200 nan 8.310 nan 0.000 0.474 34 F N 1.827 121.780 119.950 0.005 0.000 2.493 34 F HA 0.638 6.732 4.527 2.612 0.000 0.329 34 F C 0.724 176.447 175.800 -0.128 0.000 1.126 34 F CA -0.653 57.284 58.000 -0.105 0.000 0.937 34 F CB 1.519 40.447 39.000 -0.121 0.000 1.146 34 F HN 0.222 nan 8.300 nan 0.000 0.442 35 R N 1.629 122.112 120.500 -0.027 0.000 2.869 35 R HA 0.676 6.583 4.340 2.612 0.000 0.263 35 R C -1.325 174.961 176.300 -0.023 0.000 1.066 35 R CA -1.387 54.674 56.100 -0.064 0.000 0.960 35 R CB 1.679 31.850 30.300 -0.214 0.000 1.221 35 R HN 0.565 nan 8.270 nan 0.000 0.474 36 L N 0.358 121.637 121.223 0.095 0.000 3.472 36 L HA -0.129 5.779 4.340 2.612 0.000 0.485 36 L C -2.303 174.564 176.870 -0.005 0.000 1.312 36 L CA 0.259 55.138 54.840 0.065 0.000 0.869 36 L CB -1.599 40.459 42.059 -0.002 0.000 1.687 36 L HN 0.533 nan 8.230 nan 0.000 0.853 37 P HA 0.404 nan 4.420 nan 0.000 0.268 37 P C -0.369 176.948 177.300 0.028 0.000 1.205 37 P CA 0.198 63.280 63.100 -0.029 0.000 0.771 37 P CB 1.409 33.118 31.700 0.015 0.000 0.858 38 A N 3.638 126.482 122.820 0.040 0.000 2.375 38 A HA 0.580 6.467 4.320 2.612 0.000 0.295 38 A C -1.497 176.172 177.584 0.142 0.000 1.066 38 A CA -0.621 51.476 52.037 0.099 0.000 0.722 38 A CB 0.973 20.035 19.000 0.103 0.000 1.206 38 A HN 0.495 nan 8.150 nan 0.000 0.435 39 L N 4.099 125.428 121.223 0.177 0.000 2.349 39 L HA 0.813 6.720 4.340 2.612 0.000 0.278 39 L C -0.521 176.479 176.870 0.216 0.000 0.996 39 L CA -0.393 54.583 54.840 0.226 0.000 0.825 39 L CB 1.783 44.008 42.059 0.276 0.000 1.243 39 L HN 1.037 nan 8.230 nan 0.000 0.412 40 V N 1.889 121.930 119.914 0.212 0.000 3.141 40 V HA 0.738 6.426 4.120 2.612 0.000 0.312 40 V C -1.131 175.052 176.094 0.147 0.000 1.157 40 V CA -0.787 61.619 62.300 0.177 0.000 1.041 40 V CB 2.122 34.045 31.823 0.167 0.000 1.071 40 V HN 0.831 nan 8.190 nan 0.000 0.441 41 N N 0.916 119.684 118.700 0.114 0.000 2.417 41 N HA 0.624 6.932 4.740 2.612 0.000 0.274 41 N C -1.303 174.239 175.510 0.054 0.000 0.987 41 N CA -0.403 52.690 53.050 0.071 0.000 0.912 41 N CB 1.723 40.246 38.487 0.059 0.000 1.177 41 N HN 0.729 nan 8.380 nan 0.000 0.490 42 V N 3.531 123.462 119.914 0.028 0.000 2.326 42 V HA 0.266 5.953 4.120 2.612 0.000 0.281 42 V C 0.087 176.168 176.094 -0.022 0.000 1.015 42 V CA -0.675 61.627 62.300 0.003 0.000 0.823 42 V CB 0.791 32.601 31.823 -0.023 0.000 1.009 42 V HN 0.882 nan 8.190 nan 0.000 0.436 43 D N 4.315 124.705 120.400 -0.016 0.000 2.751 43 D HA -0.187 6.020 4.640 2.612 0.000 0.233 43 D C 1.287 177.568 176.300 -0.032 0.000 1.149 43 D CA 2.147 56.131 54.000 -0.027 0.000 0.682 43 D CB -1.077 39.698 40.800 -0.042 0.000 1.068 43 D HN 1.421 nan 8.370 nan 0.000 0.429 44 G N -2.427 106.357 108.800 -0.027 0.000 2.195 44 G HA2 -0.257 5.270 3.960 2.612 0.000 0.246 44 G HA3 -0.257 5.270 3.960 2.612 0.000 0.246 44 G C 0.324 175.193 174.900 -0.053 0.000 0.984 44 G CA 0.152 45.230 45.100 -0.037 0.000 0.633 44 G HN 0.947 nan 8.290 nan 0.000 0.525 45 V N 2.061 121.947 119.914 -0.048 0.000 2.383 45 V HA 0.598 6.285 4.120 2.612 0.000 0.275 45 V C 0.770 176.849 176.094 -0.026 0.000 1.036 45 V CA -0.277 61.993 62.300 -0.050 0.000 0.889 45 V CB 1.587 33.379 31.823 -0.053 0.000 0.985 45 V HN 0.423 nan 8.190 nan 0.000 0.459 46 M N 5.714 125.271 119.600 -0.072 0.000 2.162 46 M HA 0.428 6.476 4.480 2.612 0.000 0.356 46 M C -1.028 175.365 176.300 0.155 0.000 1.303 46 M CA 0.070 55.360 55.300 -0.016 0.000 1.116 46 M CB 0.867 33.355 32.600 -0.186 0.000 1.632 46 M HN 0.490 nan 8.290 nan 0.000 0.469 47 V N 4.516 124.584 119.914 0.257 0.000 2.531 47 V HA 0.718 6.406 4.120 2.612 0.000 0.301 47 V C -0.456 175.859 176.094 0.369 0.000 1.034 47 V CA -0.904 61.612 62.300 0.359 0.000 0.865 47 V CB 1.555 33.545 31.823 0.278 0.000 0.995 47 V HN 0.896 nan 8.190 nan 0.000 0.424 48 A N 6.363 129.426 122.820 0.405 0.000 2.285 48 A HA 0.868 6.755 4.320 2.612 0.000 0.310 48 A C -0.753 176.996 177.584 0.275 0.000 1.266 48 A CA -0.350 51.864 52.037 0.295 0.000 0.832 48 A CB 0.380 19.503 19.000 0.206 0.000 1.163 48 A HN 0.773 nan 8.150 nan 0.000 0.499 49 I N 1.826 122.489 120.570 0.155 0.000 2.493 49 I HA 0.747 6.484 4.170 2.612 0.000 0.298 49 I C 0.404 176.485 176.117 -0.060 0.000 0.998 49 I CA -0.139 61.211 61.300 0.083 0.000 1.137 49 I CB 2.125 40.194 38.000 0.116 0.000 1.310 49 I HN 0.796 nan 8.210 nan 0.000 0.445 50 A N 3.811 126.568 122.820 -0.105 0.000 2.564 50 A HA 0.519 6.406 4.320 2.612 0.000 0.291 50 A C -1.851 175.676 177.584 -0.095 0.000 1.102 50 A CA -0.749 51.188 52.037 -0.167 0.000 0.660 50 A CB 1.106 19.858 19.000 -0.414 0.000 1.283 50 A HN 0.536 nan 8.150 nan 0.000 0.430 51 D N 1.279 121.624 120.400 -0.092 0.000 2.351 51 D HA 0.490 6.697 4.640 2.612 0.000 0.251 51 D C 0.159 176.396 176.300 -0.105 0.000 1.137 51 D CA 0.943 54.883 54.000 -0.100 0.000 0.879 51 D CB 1.374 42.104 40.800 -0.117 0.000 1.181 51 D HN 0.805 nan 8.370 nan 0.000 0.448 52 A N 4.063 126.769 122.820 -0.189 0.000 2.341 52 A HA 0.345 6.232 4.320 2.612 0.000 0.326 52 A C 0.104 177.325 177.584 -0.605 0.000 1.402 52 A CA -0.727 51.039 52.037 -0.452 0.000 0.957 52 A CB 0.268 19.010 19.000 -0.430 0.000 1.151 52 A HN 0.406 nan 8.150 nan 0.000 0.533 53 R N 3.052 123.245 120.500 -0.512 0.000 2.287 53 R HA 0.232 6.139 4.340 2.612 0.000 0.327 53 R C -0.401 175.724 176.300 -0.291 0.000 1.109 53 R CA -0.157 55.754 56.100 -0.316 0.000 1.013 53 R CB 0.259 30.431 30.300 -0.214 0.000 1.126 53 R HN 0.851 nan 8.270 nan 0.000 0.503 54 Y N 1.111 121.321 120.300 -0.150 0.000 2.181 54 Y HA -0.226 5.891 4.550 2.612 0.000 0.288 54 Y C 1.959 177.793 175.900 -0.111 0.000 1.146 54 Y CA 1.277 59.286 58.100 -0.152 0.000 1.164 54 Y CB 0.364 38.714 38.460 -0.182 0.000 0.982 54 Y HN 0.453 nan 8.280 nan 0.000 0.515 55 E N -1.510 118.708 120.200 0.030 0.000 2.372 55 E HA 0.120 6.037 4.350 2.612 0.000 0.201 55 E C 0.474 176.900 176.600 -0.290 0.000 0.938 55 E CA 0.614 56.981 56.400 -0.055 0.000 0.944 55 E CB 0.943 30.616 29.700 -0.044 0.000 0.937 55 E HN 0.204 nan 8.360 nan 0.000 0.495 56 T N -0.976 113.318 114.554 -0.433 0.000 2.786 56 T HA 0.126 6.043 4.350 2.612 0.000 0.316 56 T C 0.096 174.570 174.700 -0.377 0.000 1.503 56 T CA 0.074 61.750 62.100 -0.707 0.000 1.019 56 T CB 1.180 69.878 68.868 -0.283 0.000 1.415 56 T HN -0.070 nan 8.240 nan 0.000 0.496 57 S N 1.688 117.265 115.700 -0.206 0.000 2.593 57 S HA 0.223 6.261 4.470 2.612 0.000 0.217 57 S C 0.587 175.160 174.600 -0.046 0.000 0.966 57 S CA -0.391 57.789 58.200 -0.034 0.000 0.914 57 S CB -0.590 62.721 63.200 0.185 0.000 0.776 57 S HN 0.583 nan 8.310 nan 0.000 0.523 58 F N 3.834 123.692 119.950 -0.154 0.000 2.607 58 F HA 0.137 6.232 4.527 2.613 0.000 0.374 58 F C 0.970 176.691 175.800 -0.132 0.000 1.104 58 F CA -0.617 57.299 58.000 -0.140 0.000 1.296 58 F CB 0.287 39.216 39.000 -0.118 0.000 1.085 58 F HN -0.025 nan 8.300 nan 0.000 0.584 59 D N 2.619 122.539 120.400 -0.800 0.000 2.158 59 D HA -0.209 5.999 4.640 2.612 0.000 0.197 59 D C 0.280 176.309 176.300 -0.452 0.000 0.995 59 D CA 1.549 55.212 54.000 -0.561 0.000 0.846 59 D CB -0.137 40.343 40.800 -0.534 0.000 0.941 59 D HN 0.457 nan 8.370 nan 0.000 0.456 60 N N 0.906 119.179 118.700 -0.712 0.000 3.105 60 N HA 0.137 6.444 4.740 2.612 0.000 0.256 60 N C -0.403 175.142 175.510 0.057 0.000 1.174 60 N CA -0.032 52.882 53.050 -0.227 0.000 1.030 60 N CB 0.942 39.358 38.487 -0.119 0.000 1.305 60 N HN 0.056 nan 8.380 nan 0.000 0.509 61 S N -0.542 115.175 115.700 0.029 0.000 2.752 61 S HA 0.442 6.480 4.470 2.612 0.000 0.284 61 S C -0.775 173.859 174.600 0.056 0.000 1.189 61 S CA -0.950 57.297 58.200 0.079 0.000 0.835 61 S CB 1.299 64.550 63.200 0.085 0.000 1.192 61 S HN 0.152 nan 8.310 nan 0.000 0.506 62 L N 1.376 122.645 121.223 0.076 0.000 2.433 62 L HA 0.575 6.482 4.340 2.612 0.000 0.275 62 L C -1.126 175.848 176.870 0.172 0.000 1.128 62 L CA 0.352 55.270 54.840 0.131 0.000 0.875 62 L CB -0.712 41.426 42.059 0.131 0.000 1.171 62 L HN 0.594 nan 8.230 nan 0.000 0.463 63 I N 4.181 124.836 120.570 0.142 0.000 2.569 63 I HA 0.370 6.108 4.170 2.612 0.000 0.290 63 I C -1.020 175.152 176.117 0.092 0.000 1.088 63 I CA -0.765 60.562 61.300 0.046 0.000 1.047 63 I CB 2.041 40.023 38.000 -0.031 0.000 1.237 63 I HN 0.421 nan 8.210 nan 0.000 0.421 64 D N 2.910 123.339 120.400 0.047 0.000 2.350 64 D HA 0.393 6.600 4.640 2.612 0.000 0.238 64 D C -0.574 175.696 176.300 -0.050 0.000 0.989 64 D CA -0.267 53.773 54.000 0.066 0.000 0.921 64 D CB 2.276 43.206 40.800 0.217 0.000 1.297 64 D HN 0.320 nan 8.370 nan 0.000 0.490 65 T N 0.644 115.153 114.554 -0.075 0.000 2.729 65 T HA 0.281 6.199 4.350 2.612 0.000 0.296 65 T C 0.116 174.749 174.700 -0.113 0.000 0.928 65 T CA -0.329 61.701 62.100 -0.116 0.000 1.045 65 T CB 0.650 69.414 68.868 -0.173 0.000 0.902 65 T HN 0.075 nan 8.240 nan 0.000 0.500 66 V N 3.216 123.114 119.914 -0.026 0.000 2.644 66 V HA 0.824 6.512 4.120 2.612 0.000 0.295 66 V C -0.241 175.901 176.094 0.081 0.000 1.053 66 V CA -0.593 61.748 62.300 0.068 0.000 0.987 66 V CB 1.093 33.063 31.823 0.245 0.000 1.006 66 V HN 1.017 nan 8.190 nan 0.000 0.472 67 A N 6.199 129.090 122.820 0.119 0.000 2.371 67 A HA 0.794 6.681 4.320 2.612 0.000 0.311 67 A C -0.659 177.095 177.584 0.283 0.000 1.068 67 A CA -0.833 51.353 52.037 0.248 0.000 0.744 67 A CB 1.295 20.497 19.000 0.335 0.000 1.239 67 A HN 0.843 nan 8.150 nan 0.000 0.435 68 K N 1.022 121.598 120.400 0.293 0.000 2.259 68 K HA 0.625 6.512 4.320 2.612 0.000 0.252 68 K C -1.609 175.297 176.600 0.510 0.000 0.936 68 K CA -0.483 55.912 56.287 0.179 0.000 0.810 68 K CB 2.101 34.429 32.500 -0.286 0.000 1.143 68 K HN 0.765 nan 8.250 nan 0.000 0.427 69 Y N -1.868 118.674 120.300 0.402 0.000 2.553 69 Y HA 0.690 6.807 4.550 2.612 0.000 0.347 69 Y C -0.755 175.117 175.900 -0.046 0.000 1.019 69 Y CA -1.053 57.198 58.100 0.251 0.000 1.032 69 Y CB 2.094 40.636 38.460 0.136 0.000 1.284 69 Y HN 0.421 nan 8.280 nan 0.000 0.466 70 S N 1.436 116.983 115.700 -0.254 0.000 2.548 70 S HA 0.488 6.525 4.470 2.612 0.000 0.276 70 S C -0.248 174.143 174.600 -0.348 0.000 1.129 70 S CA -0.191 57.616 58.200 -0.656 0.000 0.931 70 S CB 1.498 63.692 63.200 -1.676 0.000 1.068 70 S HN 1.396 nan 8.310 nan 0.000 0.480 71 V N 0.728 120.490 119.914 -0.252 0.000 3.621 71 V HA 0.415 6.102 4.120 2.612 0.000 0.285 71 V C 0.270 176.255 176.094 -0.181 0.000 1.346 71 V CA 0.619 62.824 62.300 -0.159 0.000 1.104 71 V CB -0.211 31.564 31.823 -0.080 0.000 0.913 71 V HN 0.810 nan 8.190 nan 0.000 0.432 72 D N -0.944 119.300 120.400 -0.259 0.000 2.891 72 D HA 0.176 6.384 4.640 2.612 0.000 0.312 72 D C 0.024 176.205 176.300 -0.198 0.000 1.354 72 D CA -0.371 53.515 54.000 -0.191 0.000 0.838 72 D CB -0.474 40.231 40.800 -0.159 0.000 1.117 72 D HN 0.252 nan 8.370 nan 0.000 0.473 73 D N 0.227 120.485 120.400 -0.237 0.000 2.837 73 D HA -0.141 6.066 4.640 2.612 0.000 0.230 73 D C 1.244 177.427 176.300 -0.195 0.000 1.152 73 D CA 1.459 55.348 54.000 -0.185 0.000 0.736 73 D CB -1.453 39.354 40.800 0.011 0.000 1.084 73 D HN 0.739 nan 8.370 nan 0.000 0.429 74 G N -0.238 108.222 108.800 -0.568 0.000 2.157 74 G HA2 -0.374 5.154 3.960 2.612 0.000 0.239 74 G HA3 -0.374 5.154 3.960 2.612 0.000 0.239 74 G C 0.742 175.523 174.900 -0.198 0.000 0.982 74 G CA 0.922 45.639 45.100 -0.639 0.000 0.650 74 G HN 0.475 nan 8.290 nan 0.000 0.527 75 E N 0.795 120.869 120.200 -0.210 0.000 2.046 75 E HA 0.148 6.065 4.350 2.612 0.000 0.190 75 E C 1.587 178.126 176.600 -0.102 0.000 0.982 75 E CA 2.039 58.404 56.400 -0.059 0.000 0.800 75 E CB 0.005 29.676 29.700 -0.048 0.000 0.756 75 E HN 0.920 nan 8.360 nan 0.000 0.449 76 T N -2.302 112.072 114.554 -0.300 0.000 2.876 76 T HA 0.605 6.522 4.350 2.612 0.000 0.289 76 T C -1.158 173.269 174.700 -0.455 0.000 1.014 76 T CA -0.877 61.095 62.100 -0.213 0.000 0.986 76 T CB 0.866 69.649 68.868 -0.143 0.000 1.021 76 T HN 0.139 nan 8.240 nan 0.000 0.458 77 W N 0.677 121.832 121.300 -0.241 0.000 2.936 77 W HA 0.588 6.816 4.660 2.612 0.000 0.338 77 W C -0.188 176.114 176.519 -0.363 0.000 1.121 77 W CA -0.780 56.372 57.345 -0.322 0.000 1.209 77 W CB 1.606 30.845 29.460 -0.369 0.000 1.420 77 W HN 0.579 nan 8.180 nan 0.000 0.516 78 E N 1.133 121.133 120.200 -0.332 0.000 2.248 78 E HA 0.560 6.477 4.350 2.612 0.000 0.272 78 E C -0.690 175.728 176.600 -0.304 0.000 1.008 78 E CA -0.470 55.672 56.400 -0.430 0.000 0.856 78 E CB 1.890 31.109 29.700 -0.801 0.000 1.120 78 E HN 0.224 nan 8.360 nan 0.000 0.397 79 T N 2.412 116.886 114.554 -0.134 0.000 2.841 79 T HA 0.472 6.389 4.350 2.612 0.000 0.283 79 T C -0.294 174.454 174.700 0.079 0.000 1.000 79 T CA -0.747 61.336 62.100 -0.028 0.000 0.977 79 T CB 1.483 70.318 68.868 -0.055 0.000 0.979 79 T HN 0.277 nan 8.240 nan 0.000 0.446 80 Q N 1.291 121.178 119.800 0.146 0.000 2.501 80 Q HA 0.554 6.462 4.340 2.612 0.000 0.288 80 Q C -1.203 174.852 176.000 0.092 0.000 1.051 80 Q CA -1.160 54.742 55.803 0.164 0.000 0.788 80 Q CB 2.121 31.032 28.738 0.287 0.000 1.469 80 Q HN 0.393 nan 8.270 nan 0.000 0.416 81 I N 1.599 122.193 120.570 0.041 0.000 2.315 81 I HA 0.217 5.955 4.170 2.612 0.000 0.291 81 I C 0.694 176.642 176.117 -0.282 0.000 1.006 81 I CA 0.194 61.463 61.300 -0.051 0.000 1.265 81 I CB 0.848 38.862 38.000 0.025 0.000 1.387 81 I HN 0.923 nan 8.210 nan 0.000 0.475 82 A N 7.814 130.287 122.820 -0.579 0.000 1.898 82 A HA 0.206 6.094 4.320 2.612 0.000 0.214 82 A C 0.898 178.052 177.584 -0.717 0.000 1.183 82 A CA 1.070 52.289 52.037 -1.363 0.000 0.622 82 A CB 0.129 18.080 19.000 -1.748 0.000 0.824 82 A HN 0.619 nan 8.150 nan 0.000 0.444 83 I N -0.073 120.258 120.570 -0.398 0.000 2.534 83 I HA 0.259 5.997 4.170 2.612 0.000 0.288 83 I C -0.791 175.257 176.117 -0.116 0.000 1.077 83 I CA -0.863 60.312 61.300 -0.209 0.000 1.051 83 I CB 2.287 40.175 38.000 -0.186 0.000 1.234 83 I HN 0.273 nan 8.210 nan 0.000 0.425 84 K N 5.722 126.077 120.400 -0.075 0.000 2.123 84 K HA 0.464 6.351 4.320 2.612 0.000 0.259 84 K C -0.311 176.271 176.600 -0.030 0.000 0.960 84 K CA -0.743 55.524 56.287 -0.033 0.000 0.872 84 K CB 1.347 33.812 32.500 -0.058 0.000 1.079 84 K HN 0.697 nan 8.250 nan 0.000 0.440 85 N N 1.037 119.745 118.700 0.013 0.000 2.288 85 N HA -0.113 6.194 4.740 2.612 0.000 0.237 85 N C 0.497 176.001 175.510 -0.011 0.000 1.311 85 N CA -0.084 52.970 53.050 0.007 0.000 0.909 85 N CB 0.768 39.288 38.487 0.055 0.000 1.167 85 N HN 0.797 nan 8.380 nan 0.000 0.476 86 S N -0.630 115.061 115.700 -0.015 0.000 2.515 86 S HA -0.066 5.972 4.470 2.612 0.000 0.231 86 S C 0.599 175.193 174.600 -0.009 0.000 0.987 86 S CA -0.093 58.093 58.200 -0.024 0.000 0.936 86 S CB -0.351 62.832 63.200 -0.029 0.000 0.766 86 S HN 0.693 nan 8.310 nan 0.000 0.528 87 R N -0.626 119.882 120.500 0.014 0.000 3.951 87 R HA -0.195 5.713 4.340 2.612 0.000 0.352 87 R C 1.161 177.475 176.300 0.024 0.000 1.178 87 R CA 0.887 57.002 56.100 0.026 0.000 0.949 87 R CB -2.695 27.603 30.300 -0.004 0.000 1.452 87 R HN 0.669 nan 8.270 nan 0.000 0.540 88 A N 0.397 123.230 122.820 0.023 0.000 1.929 88 A HA 0.023 5.910 4.320 2.612 0.000 0.216 88 A C 1.175 178.775 177.584 0.028 0.000 1.176 88 A CA 1.664 53.713 52.037 0.021 0.000 0.628 88 A CB 0.095 19.107 19.000 0.020 0.000 0.816 88 A HN 0.677 nan 8.150 nan 0.000 0.444 89 S N -2.748 112.975 115.700 0.038 0.000 2.776 89 S HA 0.386 6.424 4.470 2.612 0.000 0.292 89 S C 0.719 175.344 174.600 0.042 0.000 1.187 89 S CA 0.412 58.634 58.200 0.037 0.000 0.834 89 S CB 0.742 63.967 63.200 0.042 0.000 1.199 89 S HN 0.804 nan 8.310 nan 0.000 0.514 90 S N -0.253 115.467 115.700 0.034 0.000 2.555 90 S HA -0.019 6.019 4.470 2.612 0.000 0.230 90 S C 1.286 175.914 174.600 0.048 0.000 0.978 90 S CA 0.809 59.027 58.200 0.029 0.000 0.934 90 S CB -0.864 62.344 63.200 0.014 0.000 0.766 90 S HN 1.734 nan 8.310 nan 0.000 0.533 91 V N -2.095 117.857 119.914 0.063 0.000 3.159 91 V HA 0.459 6.147 4.120 2.612 0.000 0.333 91 V C 0.086 176.234 176.094 0.090 0.000 1.424 91 V CA -0.654 61.694 62.300 0.080 0.000 1.125 91 V CB -0.317 31.561 31.823 0.093 0.000 1.075 91 V HN 0.249 nan 8.190 nan 0.000 0.482 92 S N 3.478 119.229 115.700 0.086 0.000 2.549 92 S HA 0.545 6.582 4.470 2.612 0.000 0.286 92 S C 0.169 174.827 174.600 0.097 0.000 1.314 92 S CA -0.097 58.158 58.200 0.091 0.000 1.062 92 S CB 0.162 63.404 63.200 0.070 0.000 0.865 92 S HN 0.939 nan 8.310 nan 0.000 0.498 93 R N -0.173 120.387 120.500 0.100 0.000 2.594 93 R HA 0.597 6.505 4.340 2.612 0.000 0.265 93 R C -1.664 174.671 176.300 0.058 0.000 1.070 93 R CA -1.057 55.093 56.100 0.083 0.000 0.909 93 R CB 0.672 31.018 30.300 0.077 0.000 1.243 93 R HN 0.375 nan 8.270 nan 0.000 0.455 94 V N -0.018 119.901 119.914 0.008 0.000 2.398 94 V HA 0.794 6.482 4.120 2.612 0.000 0.286 94 V C 0.346 176.408 176.094 -0.053 0.000 1.026 94 V CA -0.706 61.564 62.300 -0.049 0.000 0.868 94 V CB 1.062 32.833 31.823 -0.087 0.000 0.982 94 V HN 0.697 nan 8.190 nan 0.000 0.443 95 V N 0.305 120.177 119.914 -0.070 0.000 3.001 95 V HA 0.723 6.410 4.120 2.612 0.000 0.314 95 V C -0.196 175.818 176.094 -0.133 0.000 1.099 95 V CA -0.677 61.575 62.300 -0.080 0.000 0.989 95 V CB 1.645 33.444 31.823 -0.040 0.000 1.040 95 V HN 0.893 nan 8.190 nan 0.000 0.434 96 D N 0.944 121.274 120.400 -0.116 0.000 2.697 96 D HA -0.101 6.107 4.640 2.612 0.000 0.235 96 D C -2.361 173.867 176.300 -0.121 0.000 1.167 96 D CA 1.168 55.094 54.000 -0.124 0.000 0.656 96 D CB -1.121 39.576 40.800 -0.173 0.000 1.025 96 D HN 0.786 nan 8.370 nan 0.000 0.419 97 P HA 0.033 nan 4.420 nan 0.000 0.263 97 P C -0.270 177.020 177.300 -0.016 0.000 1.195 97 P CA 0.408 63.466 63.100 -0.070 0.000 0.762 97 P CB 0.802 32.468 31.700 -0.057 0.000 0.799 98 T N 2.934 117.490 114.554 0.003 0.000 2.812 98 T HA 0.384 6.302 4.350 2.612 0.000 0.282 98 T C -0.089 174.800 174.700 0.315 0.000 0.990 98 T CA -0.492 61.685 62.100 0.128 0.000 0.960 98 T CB 1.160 70.074 68.868 0.077 0.000 0.948 98 T HN 0.058 nan 8.240 nan 0.000 0.438 99 V N 4.603 124.715 119.914 0.330 0.000 2.483 99 V HA 0.581 6.269 4.120 2.612 0.000 0.295 99 V C -0.239 176.043 176.094 0.312 0.000 1.035 99 V CA -0.838 61.664 62.300 0.338 0.000 0.896 99 V CB 1.484 33.457 31.823 0.250 0.000 0.986 99 V HN 0.803 nan 8.190 nan 0.000 0.447 100 I N 4.072 124.830 120.570 0.314 0.000 2.465 100 I HA 0.465 6.202 4.170 2.612 0.000 0.291 100 I C -0.672 175.607 176.117 0.269 0.000 1.014 100 I CA -0.885 60.530 61.300 0.192 0.000 1.093 100 I CB 2.278 40.284 38.000 0.011 0.000 1.267 100 I HN 0.276 nan 8.210 nan 0.000 0.431 101 V N 6.224 126.247 119.914 0.182 0.000 2.407 101 V HA 0.389 6.077 4.120 2.612 0.000 0.278 101 V C -0.082 176.103 176.094 0.152 0.000 1.037 101 V CA -0.498 61.900 62.300 0.165 0.000 0.900 101 V CB 1.441 33.331 31.823 0.112 0.000 0.983 101 V HN 0.631 nan 8.190 nan 0.000 0.459 102 K N 3.559 124.073 120.400 0.191 0.000 2.578 102 K HA 0.594 6.481 4.320 2.612 0.000 0.250 102 K C 0.539 177.198 176.600 0.098 0.000 0.955 102 K CA 0.367 56.737 56.287 0.138 0.000 0.825 102 K CB 1.482 34.074 32.500 0.153 0.000 1.151 102 K HN 0.940 nan 8.250 nan 0.000 0.432 103 G N 3.495 112.323 108.800 0.047 0.000 2.583 103 G HA2 -0.350 5.178 3.960 2.612 0.000 0.292 103 G HA3 -0.350 5.178 3.960 2.612 0.000 0.292 103 G C 0.182 175.079 174.900 -0.006 0.000 1.203 103 G CA 0.298 45.407 45.100 0.016 0.000 0.987 103 G HN 0.702 nan 8.290 nan 0.000 0.554 104 N N 1.769 120.448 118.700 -0.035 0.000 2.314 104 N HA 0.133 6.441 4.740 2.612 0.000 0.200 104 N C 0.396 175.830 175.510 -0.126 0.000 1.135 104 N CA 0.678 53.682 53.050 -0.077 0.000 0.835 104 N CB 0.358 38.791 38.487 -0.089 0.000 0.989 104 N HN 0.516 nan 8.380 nan 0.000 0.478 105 K N 0.542 120.878 120.400 -0.106 0.000 2.182 105 K HA 0.442 6.330 4.320 2.612 0.000 0.262 105 K C -0.464 176.024 176.600 -0.188 0.000 0.957 105 K CA -0.522 55.628 56.287 -0.228 0.000 0.842 105 K CB 1.966 34.292 32.500 -0.289 0.000 1.099 105 K HN -0.115 nan 8.250 nan 0.000 0.438 106 L N 3.946 125.003 121.223 -0.277 0.000 2.280 106 L HA 0.358 6.265 4.340 2.612 0.000 0.287 106 L C -1.030 175.782 176.870 -0.097 0.000 1.023 106 L CA -0.762 54.033 54.840 -0.074 0.000 0.819 106 L CB 0.388 42.431 42.059 -0.027 0.000 1.212 106 L HN 0.498 nan 8.230 nan 0.000 0.420 107 Y N 2.964 123.389 120.300 0.208 0.000 2.335 107 Y HA 0.459 6.576 4.550 2.613 0.000 0.339 107 Y C -0.025 176.088 175.900 0.354 0.000 0.987 107 Y CA -0.717 57.556 58.100 0.287 0.000 1.140 107 Y CB 1.580 40.225 38.460 0.308 0.000 1.173 107 Y HN 0.164 nan 8.280 nan 0.000 0.486 108 V N 5.832 125.997 119.914 0.419 0.000 2.407 108 V HA 0.289 5.977 4.120 2.612 0.000 0.291 108 V C -0.764 175.406 176.094 0.126 0.000 1.018 108 V CA -0.797 61.670 62.300 0.279 0.000 0.842 108 V CB 1.552 33.500 31.823 0.209 0.000 0.996 108 V HN 0.521 nan 8.190 nan 0.000 0.426 109 L N 7.919 129.127 121.223 -0.025 0.000 2.272 109 L HA 0.808 6.716 4.340 2.612 0.000 0.289 109 L C -0.295 176.405 176.870 -0.283 0.000 1.032 109 L CA 0.048 54.713 54.840 -0.292 0.000 0.810 109 L CB 1.472 43.043 42.059 -0.814 0.000 1.205 109 L HN 0.584 nan 8.230 nan 0.000 0.422 110 V N 2.216 121.958 119.914 -0.287 0.000 2.876 110 V HA 0.933 6.621 4.120 2.612 0.000 0.312 110 V C 0.410 176.278 176.094 -0.376 0.000 1.085 110 V CA -0.341 61.791 62.300 -0.280 0.000 0.945 110 V CB 1.074 32.775 31.823 -0.203 0.000 1.017 110 V HN 0.846 nan 8.190 nan 0.000 0.428 111 G N 1.079 109.661 108.800 -0.363 0.000 2.539 111 G HA2 0.496 6.024 3.960 2.612 0.000 0.258 111 G HA3 0.496 6.024 3.960 2.612 0.000 0.258 111 G C -0.285 174.377 174.900 -0.396 0.000 1.202 111 G CA 0.003 44.840 45.100 -0.438 0.000 0.851 111 G HN 1.247 nan 8.290 nan 0.000 0.556 112 S N -0.192 115.131 115.700 -0.627 0.000 2.614 112 S HA 0.647 6.684 4.470 2.612 0.000 0.288 112 S C -1.552 172.685 174.600 -0.605 0.000 1.137 112 S CA -0.643 57.292 58.200 -0.441 0.000 0.992 112 S CB 0.595 63.570 63.200 -0.374 0.000 1.026 112 S HN 0.431 nan 8.310 nan 0.000 0.486 113 Y N 3.336 123.596 120.300 -0.066 0.000 2.446 113 Y HA 0.494 6.610 4.550 2.610 0.000 0.345 113 Y C 1.143 177.050 175.900 0.011 0.000 0.984 113 Y CA -0.856 57.252 58.100 0.014 0.000 1.058 113 Y CB 1.759 40.259 38.460 0.066 0.000 1.220 113 Y HN 0.594 nan 8.280 nan 0.000 0.455 114 N N -0.185 118.616 118.700 0.168 0.000 2.428 114 N HA 0.022 6.330 4.740 2.612 0.000 0.181 114 N C 0.488 176.061 175.510 0.104 0.000 1.028 114 N CA 0.854 53.962 53.050 0.096 0.000 0.877 114 N CB 0.365 38.882 38.487 0.051 0.000 1.064 114 N HN 0.497 nan 8.380 nan 0.000 0.434 115 S N -0.558 115.214 115.700 0.120 0.000 2.733 115 S HA 0.092 6.129 4.470 2.612 0.000 0.270 115 S C 0.203 174.856 174.600 0.088 0.000 1.062 115 S CA -0.498 57.755 58.200 0.088 0.000 1.256 115 S CB 0.671 63.906 63.200 0.059 0.000 1.187 115 S HN 0.301 nan 8.310 nan 0.000 0.666 116 S N 1.465 117.235 115.700 0.118 0.000 2.564 116 S HA 0.432 6.469 4.470 2.612 0.000 0.278 116 S C 0.442 175.101 174.600 0.099 0.000 1.333 116 S CA -0.380 57.867 58.200 0.078 0.000 1.048 116 S CB 1.108 64.350 63.200 0.070 0.000 0.900 116 S HN 0.121 nan 8.310 nan 0.000 0.505 117 R N 0.939 121.498 120.500 0.098 0.000 2.397 117 R HA 0.258 6.166 4.340 2.612 0.000 0.241 117 R C 0.276 176.695 176.300 0.197 0.000 0.914 117 R CA 0.199 56.391 56.100 0.153 0.000 1.071 117 R CB 0.348 30.721 30.300 0.121 0.000 1.116 117 R HN 0.847 nan 8.270 nan 0.000 0.524 118 S N -1.533 114.273 115.700 0.175 0.000 2.621 118 S HA 0.338 6.375 4.470 2.612 0.000 0.302 118 S C -0.658 174.089 174.600 0.245 0.000 1.093 118 S CA -0.856 57.470 58.200 0.210 0.000 1.017 118 S CB 1.324 64.635 63.200 0.185 0.000 1.077 118 S HN 0.100 nan 8.310 nan 0.000 0.517 119 Y N 3.264 123.564 120.300 -0.000 0.000 2.480 119 Y HA 0.142 6.261 4.550 2.615 0.000 0.338 119 Y C 1.584 177.342 175.900 -0.236 0.000 1.220 119 Y CA -0.944 57.087 58.100 -0.115 0.000 1.430 119 Y CB 0.465 38.847 38.460 -0.129 0.000 1.311 119 Y HN 0.923 nan 8.280 nan 0.000 0.575 120 W N 3.329 123.981 121.300 -1.079 0.000 2.325 120 W HA -0.230 5.995 4.660 2.608 0.000 0.299 120 W C 1.353 177.407 176.519 -0.776 0.000 1.215 120 W CA 2.199 58.800 57.345 -1.240 0.000 1.244 120 W CB -2.072 26.816 29.460 -0.953 0.000 1.140 120 W HN 0.599 nan 8.180 nan 0.000 0.523 121 T N -0.171 113.514 114.554 -1.447 0.000 3.007 121 T HA -0.151 5.766 4.350 2.612 0.000 0.270 121 T C 1.905 176.335 174.700 -0.449 0.000 1.107 121 T CA 1.729 63.191 62.100 -1.063 0.000 1.118 121 T CB -0.837 67.520 68.868 -0.851 0.000 0.889 121 T HN 0.311 nan 8.240 nan 0.000 0.506 122 S N -0.084 115.471 115.700 -0.242 0.000 2.558 122 S HA 0.067 6.104 4.470 2.612 0.000 0.217 122 S C 0.394 175.046 174.600 0.088 0.000 0.975 122 S CA -0.605 57.576 58.200 -0.032 0.000 0.912 122 S CB -0.595 62.642 63.200 0.061 0.000 0.776 122 S HN 0.559 nan 8.310 nan 0.000 0.526 123 H N 1.397 120.409 119.070 -0.097 0.000 2.848 123 H HA 0.470 6.592 4.556 2.610 0.000 0.341 123 H C 1.507 176.815 175.328 -0.034 0.000 1.060 123 H CA 0.108 56.139 56.048 -0.029 0.000 1.444 123 H CB 0.735 30.511 29.762 0.023 0.000 1.446 123 H HN 0.305 nan 8.280 nan 0.000 0.583 124 G N 1.719 110.576 108.800 0.095 0.000 2.777 124 G HA2 -0.002 5.525 3.960 2.612 0.000 0.211 124 G HA3 -0.002 5.525 3.960 2.612 0.000 0.211 124 G C -0.142 174.790 174.900 0.054 0.000 1.149 124 G CA 0.477 45.604 45.100 0.045 0.000 0.785 124 G HN 0.726 nan 8.290 nan 0.000 0.536 125 D N -2.466 117.987 120.400 0.089 0.000 2.752 125 D HA 0.562 6.770 4.640 2.612 0.000 0.313 125 D C 0.098 176.495 176.300 0.161 0.000 1.225 125 D CA -0.250 53.807 54.000 0.097 0.000 0.976 125 D CB 0.902 41.745 40.800 0.071 0.000 1.443 125 D HN -0.046 nan 8.370 nan 0.000 0.515 126 A N -0.694 122.234 122.820 0.180 0.000 2.637 126 A HA 0.257 6.144 4.320 2.612 0.000 0.293 126 A C 1.153 178.917 177.584 0.300 0.000 1.216 126 A CA -0.429 51.776 52.037 0.281 0.000 0.956 126 A CB -0.416 18.774 19.000 0.316 0.000 1.174 126 A HN 0.414 nan 8.150 nan 0.000 0.525 127 R N -0.393 120.226 120.500 0.199 0.000 2.237 127 R HA -0.079 5.829 4.340 2.612 0.000 0.219 127 R C 0.742 177.131 176.300 0.149 0.000 1.080 127 R CA 1.372 57.559 56.100 0.146 0.000 0.995 127 R CB 0.030 30.382 30.300 0.086 0.000 0.875 127 R HN 0.442 nan 8.270 nan 0.000 0.462 128 D N -1.093 119.438 120.400 0.219 0.000 2.369 128 D HA -0.017 6.190 4.640 2.612 0.000 0.211 128 D C -0.638 175.791 176.300 0.215 0.000 1.077 128 D CA -0.152 53.985 54.000 0.228 0.000 0.842 128 D CB 0.336 41.312 40.800 0.294 0.000 0.947 128 D HN 0.096 nan 8.370 nan 0.000 0.509 129 W N 0.868 122.141 121.300 -0.046 0.000 2.551 129 W HA 0.538 6.768 4.660 2.616 0.000 0.330 129 W C -0.929 175.404 176.519 -0.310 0.000 1.063 129 W CA -0.625 56.510 57.345 -0.350 0.000 1.222 129 W CB 1.131 30.477 29.460 -0.189 0.000 1.349 129 W HN -0.297 nan 8.180 nan 0.000 0.536 130 D N 3.662 123.279 120.400 -1.306 0.000 2.579 130 D HA 0.398 6.605 4.640 2.612 0.000 0.257 130 D C -1.925 173.337 176.300 -1.730 0.000 1.176 130 D CA -0.674 52.450 54.000 -1.460 0.000 0.914 130 D CB 2.254 42.618 40.800 -0.726 0.000 1.431 130 D HN 0.319 nan 8.370 nan 0.000 0.454 131 I N 1.934 121.690 120.570 -1.357 0.000 2.468 131 I HA 0.445 6.182 4.170 2.612 0.000 0.285 131 I C -1.628 174.131 176.117 -0.597 0.000 1.039 131 I CA -0.392 60.311 61.300 -0.995 0.000 1.074 131 I CB 0.950 38.250 38.000 -1.167 0.000 1.228 131 I HN 0.309 nan 8.210 nan 0.000 0.436 132 L N 7.137 128.085 121.223 -0.458 0.000 2.354 132 L HA 0.632 6.540 4.340 2.612 0.000 0.269 132 L C -1.266 175.493 176.870 -0.185 0.000 1.005 132 L CA -1.091 53.587 54.840 -0.269 0.000 0.819 132 L CB 2.041 43.960 42.059 -0.233 0.000 1.311 132 L HN 0.458 nan 8.230 nan 0.000 0.423 133 L N 2.265 123.452 121.223 -0.060 0.000 2.356 133 L HA 0.862 6.769 4.340 2.612 0.000 0.277 133 L C -0.573 176.364 176.870 0.112 0.000 0.996 133 L CA -0.111 54.762 54.840 0.054 0.000 0.822 133 L CB 1.628 43.783 42.059 0.160 0.000 1.256 133 L HN 0.711 nan 8.230 nan 0.000 0.413 134 A N 4.583 127.494 122.820 0.152 0.000 2.365 134 A HA 0.832 6.720 4.320 2.612 0.000 0.318 134 A C -1.435 176.303 177.584 0.257 0.000 1.091 134 A CA -0.576 51.579 52.037 0.197 0.000 0.763 134 A CB 1.694 20.808 19.000 0.191 0.000 1.248 134 A HN 0.465 nan 8.150 nan 0.000 0.442 135 V N 1.496 121.514 119.914 0.173 0.000 2.417 135 V HA 0.657 6.345 4.120 2.612 0.000 0.291 135 V C 0.719 176.727 176.094 -0.145 0.000 1.024 135 V CA -0.180 62.090 62.300 -0.051 0.000 0.861 135 V CB 1.662 33.372 31.823 -0.188 0.000 0.985 135 V HN 1.141 nan 8.190 nan 0.000 0.436 136 G N 2.921 111.409 108.800 -0.521 0.000 2.384 136 G HA2 0.551 6.078 3.960 2.612 0.000 0.316 136 G HA3 0.551 6.078 3.960 2.612 0.000 0.316 136 G C -0.537 173.910 174.900 -0.754 0.000 1.160 136 G CA -0.344 43.990 45.100 -1.277 0.000 0.936 136 G HN 0.770 nan 8.290 nan 0.000 0.455 137 E N 2.436 122.298 120.200 -0.564 0.000 2.167 137 E HA 0.386 6.304 4.350 2.612 0.000 0.284 137 E C -0.457 175.915 176.600 -0.380 0.000 1.016 137 E CA -0.531 55.643 56.400 -0.378 0.000 0.817 137 E CB 1.175 30.724 29.700 -0.252 0.000 1.080 137 E HN 0.182 nan 8.360 nan 0.000 0.397 138 V N 5.236 124.959 119.914 -0.319 0.000 2.383 138 V HA 0.337 6.024 4.120 2.612 0.000 0.275 138 V C 0.244 176.215 176.094 -0.206 0.000 1.036 138 V CA -0.364 61.762 62.300 -0.291 0.000 0.889 138 V CB 1.023 32.696 31.823 -0.251 0.000 0.985 138 V HN 0.875 nan 8.190 nan 0.000 0.459 139 T N 2.471 116.907 114.554 -0.196 0.000 2.916 139 T HA 0.715 6.632 4.350 2.612 0.000 0.292 139 T C -0.782 173.847 174.700 -0.117 0.000 1.055 139 T CA -1.060 60.959 62.100 -0.134 0.000 1.009 139 T CB 2.334 71.135 68.868 -0.112 0.000 1.118 139 T HN 0.506 nan 8.240 nan 0.000 0.497 140 K N 0.742 121.092 120.400 -0.083 0.000 2.375 140 K HA 0.706 6.594 4.320 2.612 0.000 0.249 140 K C -0.882 175.690 176.600 -0.046 0.000 0.942 140 K CA -0.873 55.377 56.287 -0.063 0.000 0.806 140 K CB 2.314 34.780 32.500 -0.057 0.000 1.227 140 K HN 0.661 nan 8.250 nan 0.000 0.430 141 S N -0.004 115.675 115.700 -0.034 0.000 2.542 141 S HA 0.334 6.372 4.470 2.612 0.000 0.293 141 S C 0.220 174.807 174.600 -0.022 0.000 1.089 141 S CA -0.555 57.629 58.200 -0.026 0.000 0.961 141 S CB 1.238 64.426 63.200 -0.020 0.000 1.062 141 S HN 0.673 nan 8.310 nan 0.000 0.483 142 T N 0.901 115.443 114.554 -0.020 0.000 3.174 142 T HA 0.524 6.441 4.350 2.612 0.000 0.269 142 T C 0.594 175.285 174.700 -0.015 0.000 1.017 142 T CA 0.096 62.185 62.100 -0.018 0.000 0.899 142 T CB -0.102 68.755 68.868 -0.018 0.000 1.077 142 T HN 0.832 nan 8.240 nan 0.000 0.552 143 A N 0.765 123.577 122.820 -0.014 0.000 2.540 143 A HA 0.515 6.402 4.320 2.612 0.000 0.239 143 A C 1.715 179.293 177.584 -0.010 0.000 1.061 143 A CA 0.411 52.441 52.037 -0.011 0.000 0.758 143 A CB -1.056 17.938 19.000 -0.010 0.000 0.991 143 A HN 1.583 nan 8.150 nan 0.000 0.502 144 G N 0.968 109.763 108.800 -0.009 0.000 2.148 144 G HA2 0.163 5.691 3.960 2.612 0.000 0.254 144 G HA3 0.163 5.691 3.960 2.612 0.000 0.254 144 G C 1.615 176.509 174.900 -0.010 0.000 0.981 144 G CA 0.897 45.991 45.100 -0.009 0.000 0.670 144 G HN 2.854 nan 8.290 nan 0.000 0.528 145 G N -0.773 108.020 108.800 -0.011 0.000 2.198 145 G HA2 -0.054 5.473 3.960 2.612 0.000 0.260 145 G HA3 -0.054 5.473 3.960 2.612 0.000 0.260 145 G C 0.199 175.090 174.900 -0.014 0.000 1.025 145 G CA 1.642 46.735 45.100 -0.012 0.000 0.769 145 G HN 1.940 nan 8.290 nan 0.000 0.507 146 K N -1.095 119.296 120.400 -0.015 0.000 2.482 146 K HA 0.821 6.708 4.320 2.612 0.000 0.257 146 K C -0.503 176.085 176.600 -0.019 0.000 0.969 146 K CA -1.514 54.762 56.287 -0.018 0.000 0.842 146 K CB 1.875 34.365 32.500 -0.017 0.000 1.359 146 K HN -0.064 nan 8.250 nan 0.000 0.441 147 I N 2.071 122.627 120.570 -0.024 0.000 2.342 147 I HA 0.232 5.970 4.170 2.612 0.000 0.291 147 I C -0.494 175.612 176.117 -0.018 0.000 1.010 147 I CA -0.157 61.128 61.300 -0.024 0.000 1.308 147 I CB 1.053 39.034 38.000 -0.032 0.000 1.400 147 I HN 0.699 nan 8.210 nan 0.000 0.488 148 T N 5.749 120.297 114.554 -0.010 0.000 2.879 148 T HA 0.670 6.588 4.350 2.612 0.000 0.290 148 T C -0.029 174.679 174.700 0.012 0.000 0.993 148 T CA -0.487 61.619 62.100 0.011 0.000 0.975 148 T CB 1.886 70.761 68.868 0.012 0.000 0.981 148 T HN 0.704 nan 8.240 nan 0.000 0.439 149 A N 2.630 125.483 122.820 0.054 0.000 2.281 149 A HA 0.924 6.812 4.320 2.612 0.000 0.329 149 A C -0.147 177.424 177.584 -0.022 0.000 1.122 149 A CA -0.613 51.416 52.037 -0.012 0.000 0.850 149 A CB 0.937 19.909 19.000 -0.046 0.000 1.207 149 A HN 0.721 nan 8.150 nan 0.000 0.495 150 S N -0.404 115.174 115.700 -0.204 0.000 2.546 150 S HA 0.685 6.722 4.470 2.612 0.000 0.274 150 S C -1.040 173.315 174.600 -0.407 0.000 1.121 150 S CA -0.305 57.764 58.200 -0.217 0.000 0.887 150 S CB 1.257 64.395 63.200 -0.103 0.000 1.094 150 S HN 0.546 nan 8.310 nan 0.000 0.474 151 I N 2.079 122.405 120.570 -0.406 0.000 2.512 151 I HA 0.410 6.147 4.170 2.612 0.000 0.287 151 I C -0.879 175.024 176.117 -0.355 0.000 1.069 151 I CA -0.770 60.241 61.300 -0.482 0.000 1.056 151 I CB 2.030 39.680 38.000 -0.582 0.000 1.229 151 I HN 0.354 nan 8.210 nan 0.000 0.429 152 K N 6.220 126.386 120.400 -0.390 0.000 2.316 152 K HA 0.339 6.226 4.320 2.612 0.000 0.267 152 K C -1.664 174.743 176.600 -0.322 0.000 1.025 152 K CA -0.201 55.952 56.287 -0.224 0.000 0.896 152 K CB 0.518 32.934 32.500 -0.140 0.000 1.124 152 K HN 0.344 nan 8.250 nan 0.000 0.451 153 W N 3.441 124.728 121.300 -0.021 0.000 2.335 153 W HA 0.383 6.610 4.660 2.612 0.000 0.306 153 W C 1.112 177.621 176.519 -0.017 0.000 1.216 153 W CA -0.473 56.861 57.345 -0.018 0.000 1.237 153 W CB 1.261 30.723 29.460 0.003 0.000 1.243 153 W HN 0.764 nan 8.180 nan 0.000 0.493 154 G N 1.743 110.649 108.800 0.177 0.000 2.634 154 G HA2 0.265 5.792 3.960 2.612 0.000 0.255 154 G HA3 0.265 5.792 3.960 2.612 0.000 0.255 154 G C -0.277 174.705 174.900 0.137 0.000 1.205 154 G CA -0.698 44.471 45.100 0.114 0.000 0.884 154 G HN 0.389 nan 8.290 nan 0.000 0.549 155 S N 1.268 117.019 115.700 0.083 0.000 2.564 155 S HA 0.340 6.377 4.470 2.612 0.000 0.278 155 S C -1.929 172.708 174.600 0.060 0.000 1.333 155 S CA -0.553 57.683 58.200 0.060 0.000 1.048 155 S CB 1.084 64.305 63.200 0.036 0.000 0.900 155 S HN 0.401 nan 8.310 nan 0.000 0.505 156 P HA 0.276 nan 4.420 nan 0.000 0.271 156 P C -1.201 176.109 177.300 0.016 0.000 1.218 156 P CA -0.393 62.722 63.100 0.024 0.000 0.780 156 P CB 0.457 32.141 31.700 -0.027 0.000 0.901 157 V N 1.772 121.707 119.914 0.035 0.000 2.495 157 V HA 0.299 5.986 4.120 2.612 0.000 0.298 157 V C 0.428 176.525 176.094 0.006 0.000 1.031 157 V CA -0.580 61.746 62.300 0.044 0.000 0.871 157 V CB 1.703 33.594 31.823 0.113 0.000 0.988 157 V HN 0.594 nan 8.190 nan 0.000 0.432 158 S N 4.210 119.890 115.700 -0.033 0.000 2.531 158 S HA 0.344 6.382 4.470 2.612 0.000 0.279 158 S C 0.598 175.201 174.600 0.006 0.000 1.305 158 S CA -0.437 57.706 58.200 -0.094 0.000 1.058 158 S CB 0.232 63.346 63.200 -0.143 0.000 0.899 158 S HN 0.597 nan 8.310 nan 0.000 0.493 159 L N 5.037 126.267 121.223 0.013 0.000 2.653 159 L HA 0.262 6.169 4.340 2.612 0.000 0.231 159 L C 2.125 179.134 176.870 0.232 0.000 1.153 159 L CA -0.105 54.894 54.840 0.264 0.000 0.933 159 L CB -0.309 41.938 42.059 0.313 0.000 1.175 159 L HN 0.704 nan 8.230 nan 0.000 0.473 160 K N 1.811 122.216 120.400 0.008 0.000 2.103 160 K HA -0.224 5.663 4.320 2.612 0.000 0.207 160 K C 1.898 178.601 176.600 0.170 0.000 1.048 160 K CA 1.938 58.274 56.287 0.081 0.000 0.930 160 K CB 0.123 32.575 32.500 -0.080 0.000 0.716 160 K HN 0.558 nan 8.250 nan 0.000 0.444 161 E N -0.613 119.540 120.200 -0.078 0.000 2.401 161 E HA -0.189 5.728 4.350 2.612 0.000 0.199 161 E C 0.883 177.367 176.600 -0.194 0.000 1.023 161 E CA 0.986 57.257 56.400 -0.214 0.000 0.859 161 E CB -0.262 29.168 29.700 -0.450 0.000 0.780 161 E HN 0.404 nan 8.360 nan 0.000 0.523 162 F N -0.093 120.104 119.950 0.411 0.000 2.693 162 F HA 0.231 6.325 4.527 2.611 0.000 0.303 162 F C 0.345 176.550 175.800 0.674 0.000 1.097 162 F CA -0.812 57.486 58.000 0.496 0.000 1.330 162 F CB 0.414 39.755 39.000 0.569 0.000 1.067 162 F HN -0.041 nan 8.300 nan 0.000 0.565 163 F N 4.942 125.204 119.950 0.520 0.000 2.371 163 F HA 0.427 6.542 4.527 2.646 0.000 0.363 163 F C -2.181 173.740 175.800 0.201 0.000 1.122 163 F CA -4.296 53.946 58.000 0.403 0.000 1.129 163 F CB 0.179 39.498 39.000 0.530 0.000 1.173 163 F HN -0.202 nan 8.300 nan 0.000 0.489 164 P HA 0.224 nan 4.420 nan 0.000 0.275 164 P C -0.063 176.994 177.300 -0.404 0.000 1.228 164 P CA -0.226 62.773 63.100 -0.168 0.000 0.786 164 P CB 1.270 32.884 31.700 -0.143 0.000 0.927 165 A N 2.586 125.273 122.820 -0.222 0.000 2.067 165 A HA -0.086 5.802 4.320 2.612 0.000 0.219 165 A C 0.746 178.194 177.584 -0.227 0.000 1.158 165 A CA 1.207 53.122 52.037 -0.202 0.000 0.661 165 A CB -0.419 18.548 19.000 -0.054 0.000 0.801 165 A HN 0.692 nan 8.150 nan 0.000 0.452 166 E N -1.482 118.569 120.200 -0.249 0.000 2.317 166 E HA 0.672 6.590 4.350 2.612 0.000 0.270 166 E C -1.363 175.089 176.600 -0.247 0.000 0.885 166 E CA -0.467 55.757 56.400 -0.293 0.000 0.760 166 E CB 1.917 31.429 29.700 -0.313 0.000 1.227 166 E HN 0.288 nan 8.360 nan 0.000 0.434 167 M N 1.698 121.159 119.600 -0.233 0.000 2.267 167 M HA 0.217 6.264 4.480 2.612 0.000 0.289 167 M C -1.095 175.102 176.300 -0.171 0.000 1.043 167 M CA -0.696 54.497 55.300 -0.179 0.000 0.928 167 M CB 2.086 34.591 32.600 -0.160 0.000 1.613 167 M HN 0.392 nan 8.290 nan 0.000 0.450 168 E N 2.005 122.124 120.200 -0.134 0.000 2.122 168 E HA -0.202 5.716 4.350 2.612 0.000 0.198 168 E C 0.789 177.312 176.600 -0.129 0.000 1.352 168 E CA 1.632 57.959 56.400 -0.122 0.000 0.705 168 E CB -1.612 28.009 29.700 -0.131 0.000 1.084 168 E HN 1.094 nan 8.360 nan 0.000 0.337 169 G N -0.398 108.315 108.800 -0.144 0.000 4.686 169 G HA2 -0.391 5.136 3.960 2.612 0.000 0.235 169 G HA3 -0.391 5.136 3.960 2.612 0.000 0.235 169 G C 0.602 175.358 174.900 -0.240 0.000 1.589 169 G CA 0.245 45.256 45.100 -0.147 0.000 1.172 169 G HN 0.769 nan 8.290 nan 0.000 0.660 170 M N 1.201 120.695 119.600 -0.177 0.000 2.214 170 M HA 0.397 6.444 4.480 2.612 0.000 0.306 170 M C 0.002 176.139 176.300 -0.271 0.000 0.998 170 M CA 0.914 56.134 55.300 -0.133 0.000 1.071 170 M CB -0.084 32.465 32.600 -0.083 0.000 1.466 170 M HN 0.500 nan 8.290 nan 0.000 0.433 171 H N 0.390 119.427 119.070 -0.055 0.000 2.476 171 H HA 0.433 4.969 4.556 -0.033 0.000 0.328 171 H C -0.196 175.095 175.328 -0.062 0.000 1.073 171 H CA -0.231 55.775 56.048 -0.069 0.000 1.229 171 H CB 1.331 31.061 29.762 -0.053 0.000 1.432 171 H HN 0.789 nan 8.280 nan 0.000 0.477 172 T N -0.406 114.113 114.554 -0.058 0.000 2.882 172 T HA 0.132 6.049 4.350 2.612 0.000 0.287 172 T C 0.802 175.499 174.700 -0.005 0.000 1.014 172 T CA -0.529 61.513 62.100 -0.097 0.000 1.049 172 T CB 1.728 70.257 68.868 -0.566 0.000 1.001 172 T HN 0.613 nan 8.240 nan 0.000 0.525 173 N N 0.540 119.305 118.700 0.108 0.000 2.820 173 N HA 0.183 6.490 4.740 2.612 0.000 0.236 173 N C -0.176 175.337 175.510 0.005 0.000 1.023 173 N CA 0.219 53.318 53.050 0.081 0.000 1.062 173 N CB 0.796 39.297 38.487 0.025 0.000 1.582 173 N HN 0.791 nan 8.380 nan 0.000 0.485 174 Q N -1.246 118.473 119.800 -0.135 0.000 2.565 174 Q HA 0.427 6.335 4.340 2.612 0.000 0.294 174 Q C -1.648 174.094 176.000 -0.429 0.000 1.005 174 Q CA -0.946 54.272 55.803 -0.976 0.000 0.771 174 Q CB 2.813 30.995 28.738 -0.927 0.000 1.486 174 Q HN 0.267 nan 8.270 nan 0.000 0.422 175 F N -1.158 118.258 119.950 -0.891 0.000 2.645 175 F HA 0.843 6.936 4.527 2.611 0.000 0.310 175 F C -2.142 173.421 175.800 -0.395 0.000 1.102 175 F CA -1.008 56.727 58.000 -0.442 0.000 0.952 175 F CB 1.354 40.124 39.000 -0.382 0.000 1.326 175 F HN 0.396 nan 8.300 nan 0.000 0.456 176 L N 1.424 122.374 121.223 -0.455 0.000 2.409 176 L HA 0.742 6.649 4.340 2.612 0.000 0.255 176 L C 0.408 177.112 176.870 -0.277 0.000 1.027 176 L CA -1.254 53.248 54.840 -0.563 0.000 0.834 176 L CB 2.093 43.677 42.059 -0.792 0.000 1.426 176 L HN 1.063 nan 8.230 nan 0.000 0.411 177 G N -0.476 108.141 108.800 -0.305 0.000 2.699 177 G HA2 0.311 5.838 3.960 2.612 0.000 0.246 177 G HA3 0.311 5.838 3.960 2.612 0.000 0.246 177 G C 0.837 175.696 174.900 -0.068 0.000 1.219 177 G CA 0.255 45.258 45.100 -0.161 0.000 0.866 177 G HN 0.872 nan 8.290 nan 0.000 0.572 178 G N -1.057 107.771 108.800 0.047 0.000 2.985 178 G HA2 0.550 6.078 3.960 2.612 0.000 0.209 178 G HA3 0.550 6.078 3.960 2.612 0.000 0.209 178 G C 0.823 175.738 174.900 0.025 0.000 1.165 178 G CA 1.195 46.337 45.100 0.070 0.000 0.776 178 G HN 2.121 nan 8.290 nan 0.000 0.541 179 A N -2.345 120.477 122.820 0.004 0.000 3.682 179 A HA 0.460 6.348 4.320 2.612 0.000 0.628 179 A C 1.388 178.996 177.584 0.040 0.000 0.718 179 A CA 0.603 52.630 52.037 -0.016 0.000 0.282 179 A CB -1.132 17.814 19.000 -0.090 0.000 3.621 179 A HN 2.421 nan 8.150 nan 0.000 0.523 180 G N -2.139 106.683 108.800 0.037 0.000 2.528 180 G HA2 0.237 5.764 3.960 2.612 0.000 0.262 180 G HA3 0.237 5.764 3.960 2.612 0.000 0.262 180 G C 0.269 175.253 174.900 0.139 0.000 1.200 180 G CA 0.629 45.776 45.100 0.079 0.000 0.951 180 G HN 2.364 nan 8.290 nan 0.000 0.566 181 V N 1.002 121.011 119.914 0.158 0.000 2.448 181 V HA 0.768 6.455 4.120 2.612 0.000 0.295 181 V C 0.932 177.136 176.094 0.185 0.000 1.025 181 V CA 0.310 62.717 62.300 0.178 0.000 0.859 181 V CB 0.707 32.628 31.823 0.162 0.000 0.988 181 V HN 1.858 nan 8.190 nan 0.000 0.431 182 A N 5.466 128.397 122.820 0.186 0.000 2.869 182 A HA 1.018 6.906 4.320 2.612 0.000 0.244 182 A C -0.345 177.272 177.584 0.054 0.000 1.374 182 A CA -0.613 51.504 52.037 0.134 0.000 0.913 182 A CB 1.118 20.212 19.000 0.156 0.000 1.589 182 A HN 1.081 nan 8.150 nan 0.000 0.485 183 I N -3.320 117.241 120.570 -0.015 0.000 3.095 183 I HA 0.704 6.441 4.170 2.612 0.000 0.310 183 I C -1.311 174.766 176.117 -0.067 0.000 1.196 183 I CA -1.151 60.141 61.300 -0.014 0.000 0.985 183 I CB 2.052 40.059 38.000 0.010 0.000 1.250 183 I HN 0.246 nan 8.210 nan 0.000 0.446 184 V N 3.453 123.340 119.914 -0.045 0.000 2.383 184 V HA 0.632 6.320 4.120 2.612 0.000 0.275 184 V C 0.944 177.009 176.094 -0.049 0.000 1.036 184 V CA -0.245 62.015 62.300 -0.066 0.000 0.889 184 V CB 0.836 32.630 31.823 -0.049 0.000 0.985 184 V HN 0.930 nan 8.190 nan 0.000 0.459 185 A N 3.712 126.493 122.820 -0.064 0.000 2.327 185 A HA 0.358 6.245 4.320 2.612 0.000 0.255 185 A C 1.734 179.285 177.584 -0.055 0.000 1.099 185 A CA 0.580 52.583 52.037 -0.058 0.000 0.801 185 A CB 0.320 19.274 19.000 -0.077 0.000 1.062 185 A HN 0.908 nan 8.150 nan 0.000 0.496 186 S N 0.336 116.005 115.700 -0.051 0.000 2.400 186 S HA -0.196 5.842 4.470 2.612 0.000 0.232 186 S C 1.543 176.111 174.600 -0.053 0.000 1.025 186 S CA 1.921 60.092 58.200 -0.049 0.000 0.993 186 S CB -0.703 62.466 63.200 -0.052 0.000 0.808 186 S HN 0.927 nan 8.310 nan 0.000 0.478 187 N N 0.445 119.108 118.700 -0.062 0.000 2.521 187 N HA 0.170 6.477 4.740 2.612 0.000 0.188 187 N C 1.184 176.654 175.510 -0.067 0.000 1.146 187 N CA 1.132 54.145 53.050 -0.063 0.000 0.893 187 N CB -0.710 37.737 38.487 -0.067 0.000 0.975 187 N HN 0.522 nan 8.380 nan 0.000 0.451 188 G N -0.795 107.963 108.800 -0.071 0.000 2.217 188 G HA2 -0.296 5.231 3.960 2.612 0.000 0.246 188 G HA3 -0.296 5.231 3.960 2.612 0.000 0.246 188 G C -0.245 174.586 174.900 -0.115 0.000 0.990 188 G CA -0.070 44.981 45.100 -0.081 0.000 0.627 188 G HN 0.488 nan 8.290 nan 0.000 0.522 189 N N 0.754 119.385 118.700 -0.115 0.000 2.492 189 N HA 0.400 6.707 4.740 2.612 0.000 0.260 189 N C 0.789 176.193 175.510 -0.176 0.000 1.215 189 N CA 0.040 53.004 53.050 -0.142 0.000 0.923 189 N CB 0.490 38.924 38.487 -0.088 0.000 1.092 189 N HN 0.380 nan 8.380 nan 0.000 0.448 190 L N 1.572 122.629 121.223 -0.277 0.000 2.360 190 L HA 0.273 6.180 4.340 2.612 0.000 0.276 190 L C -0.236 176.551 176.870 -0.138 0.000 1.121 190 L CA -0.456 54.213 54.840 -0.286 0.000 0.845 190 L CB 0.467 42.264 42.059 -0.438 0.000 1.143 190 L HN 0.083 nan 8.230 nan 0.000 0.452 191 V N 4.341 124.190 119.914 -0.108 0.000 2.443 191 V HA 0.335 6.023 4.120 2.612 0.000 0.293 191 V C -0.838 175.265 176.094 0.015 0.000 1.021 191 V CA -0.557 61.767 62.300 0.040 0.000 0.848 191 V CB 1.427 33.265 31.823 0.025 0.000 0.998 191 V HN 0.428 nan 8.190 nan 0.000 0.424 192 Y N 6.410 126.904 120.300 0.323 0.000 2.331 192 Y HA 0.479 6.597 4.550 2.612 0.000 0.338 192 Y C -2.078 174.003 175.900 0.302 0.000 0.976 192 Y CA -2.666 55.609 58.100 0.292 0.000 1.137 192 Y CB 2.419 41.067 38.460 0.313 0.000 1.172 192 Y HN 0.429 nan 8.280 nan 0.000 0.478 193 P HA 0.120 nan 4.420 nan 0.000 0.281 193 P C -0.894 176.616 177.300 0.350 0.000 1.252 193 P CA -0.059 63.269 63.100 0.380 0.000 0.778 193 P CB 1.461 33.355 31.700 0.322 0.000 0.895 194 V N 1.360 121.476 119.914 0.338 0.000 2.864 194 V HA 0.621 6.308 4.120 2.612 0.000 0.314 194 V C -0.421 175.802 176.094 0.215 0.000 1.073 194 V CA -1.102 61.352 62.300 0.257 0.000 0.956 194 V CB 1.797 33.787 31.823 0.278 0.000 1.023 194 V HN 0.579 nan 8.190 nan 0.000 0.435 195 Q N 1.945 121.841 119.800 0.161 0.000 2.293 195 Q HA 0.853 6.761 4.340 2.612 0.000 0.261 195 Q C -1.283 174.813 176.000 0.160 0.000 0.960 195 Q CA -0.811 55.086 55.803 0.156 0.000 0.882 195 Q CB 2.163 31.055 28.738 0.258 0.000 1.275 195 Q HN 0.635 nan 8.270 nan 0.000 0.445 196 V N 1.452 121.290 119.914 -0.126 0.000 2.876 196 V HA 0.609 6.296 4.120 2.612 0.000 0.312 196 V C -0.134 175.690 176.094 -0.451 0.000 1.085 196 V CA -0.737 61.392 62.300 -0.285 0.000 0.945 196 V CB 2.076 33.502 31.823 -0.662 0.000 1.017 196 V HN 1.023 nan 8.190 nan 0.000 0.428 197 T N 0.206 114.685 114.554 -0.125 0.000 2.912 197 T HA 0.680 6.598 4.350 2.612 0.000 0.288 197 T C -0.477 174.291 174.700 0.113 0.000 1.030 197 T CA -0.838 61.207 62.100 -0.091 0.000 1.020 197 T CB 1.942 70.677 68.868 -0.222 0.000 1.056 197 T HN 0.795 nan 8.240 nan 0.000 0.480 198 N N 0.588 119.408 118.700 0.200 0.000 2.671 198 N HA 0.404 6.711 4.740 2.612 0.000 0.303 198 N C 0.570 176.114 175.510 0.056 0.000 1.277 198 N CA -1.178 51.974 53.050 0.170 0.000 0.933 198 N CB 0.532 39.146 38.487 0.211 0.000 1.190 198 N HN 0.324 nan 8.380 nan 0.000 0.600 199 K N -0.092 120.338 120.400 0.050 0.000 2.439 199 K HA 0.051 5.939 4.320 2.612 0.000 0.197 199 K C 0.483 177.071 176.600 -0.020 0.000 1.041 199 K CA 0.673 56.967 56.287 0.012 0.000 0.970 199 K CB -0.164 32.340 32.500 0.007 0.000 0.773 199 K HN 0.596 nan 8.250 nan 0.000 0.479 200 K N 0.477 120.855 120.400 -0.037 0.000 2.444 200 K HA 0.069 5.956 4.320 2.612 0.000 0.193 200 K C 0.018 176.568 176.600 -0.083 0.000 1.024 200 K CA 0.022 56.264 56.287 -0.075 0.000 1.077 200 K CB 0.238 32.665 32.500 -0.123 0.000 0.833 200 K HN 0.009 nan 8.250 nan 0.000 0.517 201 K N 0.496 120.855 120.400 -0.069 0.000 3.391 201 K HA -0.203 5.684 4.320 2.612 0.000 0.307 201 K C -0.672 175.869 176.600 -0.098 0.000 1.304 201 K CA 0.627 56.858 56.287 -0.093 0.000 0.904 201 K CB -1.566 30.881 32.500 -0.088 0.000 1.293 201 K HN 0.345 nan 8.250 nan 0.000 0.470 202 Q N 0.552 120.304 119.800 -0.080 0.000 2.354 202 Q HA 0.396 6.303 4.340 2.612 0.000 0.244 202 Q C -0.053 176.029 176.000 0.137 0.000 0.969 202 Q CA -0.257 55.522 55.803 -0.040 0.000 0.885 202 Q CB 1.513 30.073 28.738 -0.298 0.000 1.241 202 Q HN 0.012 nan 8.270 nan 0.000 0.461 203 V N 3.462 123.499 119.914 0.205 0.000 2.495 203 V HA 0.614 6.301 4.120 2.612 0.000 0.298 203 V C -0.696 175.615 176.094 0.361 0.000 1.031 203 V CA -0.599 61.784 62.300 0.139 0.000 0.871 203 V CB 0.578 32.416 31.823 0.024 0.000 0.988 203 V HN 0.685 nan 8.190 nan 0.000 0.432 204 F N 1.235 121.286 119.950 0.168 0.000 2.685 204 F HA 0.852 6.943 4.527 2.606 0.000 0.315 204 F C -0.386 175.455 175.800 0.068 0.000 1.126 204 F CA -0.929 57.117 58.000 0.077 0.000 0.950 204 F CB 1.569 40.551 39.000 -0.030 0.000 1.360 204 F HN 0.238 nan 8.300 nan 0.000 0.469 205 S N 0.990 116.762 115.700 0.120 0.000 2.549 205 S HA 0.674 6.712 4.470 2.612 0.000 0.297 205 S C -0.838 173.802 174.600 0.066 0.000 1.115 205 S CA -0.908 57.368 58.200 0.127 0.000 1.059 205 S CB 1.633 64.992 63.200 0.264 0.000 1.046 205 S HN 0.531 nan 8.310 nan 0.000 0.506 206 K N 1.027 121.603 120.400 0.294 0.000 2.466 206 K HA 0.534 6.421 4.320 2.612 0.000 0.260 206 K C -1.267 175.733 176.600 0.667 0.000 1.011 206 K CA -0.882 55.682 56.287 0.461 0.000 0.871 206 K CB 1.360 34.156 32.500 0.493 0.000 1.404 206 K HN 0.358 nan 8.250 nan 0.000 0.450 207 I N 1.934 122.933 120.570 0.714 0.000 2.359 207 I HA 0.311 6.048 4.170 2.612 0.000 0.294 207 I C -0.603 175.827 176.117 0.523 0.000 0.987 207 I CA -0.332 61.293 61.300 0.541 0.000 1.225 207 I CB 0.569 38.812 38.000 0.404 0.000 1.366 207 I HN 0.509 nan 8.210 nan 0.000 0.466 208 F N 9.404 129.497 119.950 0.239 0.000 2.499 208 F HA 0.528 6.622 4.527 2.612 0.000 0.333 208 F C -1.092 174.958 175.800 0.417 0.000 1.138 208 F CA -0.647 57.352 58.000 -0.003 0.000 0.945 208 F CB 0.949 39.789 39.000 -0.267 0.000 1.181 208 F HN 0.426 nan 8.300 nan 0.000 0.435 209 Y N 2.535 122.798 120.300 -0.061 0.000 2.553 209 Y HA 0.749 6.866 4.550 2.612 0.000 0.347 209 Y C -1.394 174.184 175.900 -0.537 0.000 1.019 209 Y CA -1.568 56.462 58.100 -0.117 0.000 1.032 209 Y CB 1.494 39.898 38.460 -0.093 0.000 1.284 209 Y HN 0.393 nan 8.280 nan 0.000 0.466 210 S N 0.863 116.093 115.700 -0.784 0.000 2.557 210 S HA 0.403 6.440 4.470 2.612 0.000 0.291 210 S C -0.504 173.752 174.600 -0.574 0.000 1.116 210 S CA -0.636 56.874 58.200 -1.150 0.000 0.992 210 S CB 1.346 63.294 63.200 -2.086 0.000 1.028 210 S HN 0.863 nan 8.310 nan 0.000 0.484 211 E N 1.720 121.660 120.200 -0.432 0.000 2.481 211 E HA 0.087 6.005 4.350 2.612 0.000 0.198 211 E C -0.537 175.916 176.600 -0.246 0.000 1.027 211 E CA 0.130 56.387 56.400 -0.239 0.000 0.900 211 E CB 0.275 29.893 29.700 -0.136 0.000 0.993 211 E HN 0.723 nan 8.360 nan 0.000 0.482 212 D N -0.041 120.158 120.400 -0.335 0.000 2.895 212 D HA 0.027 6.234 4.640 2.612 0.000 0.350 212 D C -0.401 175.755 176.300 -0.240 0.000 1.389 212 D CA -0.381 53.473 54.000 -0.243 0.000 0.812 212 D CB 0.054 40.731 40.800 -0.205 0.000 1.164 212 D HN -0.197 nan 8.370 nan 0.000 0.455 213 E N -0.161 119.873 120.200 -0.278 0.000 2.694 213 E HA -0.168 5.749 4.350 2.612 0.000 0.272 213 E C 1.147 177.611 176.600 -0.226 0.000 1.040 213 E CA 0.989 57.258 56.400 -0.218 0.000 0.809 213 E CB -2.106 27.567 29.700 -0.046 0.000 1.389 213 E HN 0.899 nan 8.360 nan 0.000 0.413 214 G N -0.487 108.026 108.800 -0.478 0.000 2.176 214 G HA2 -0.383 5.144 3.960 2.612 0.000 0.253 214 G HA3 -0.383 5.144 3.960 2.612 0.000 0.253 214 G C 0.981 175.853 174.900 -0.048 0.000 0.979 214 G CA 0.656 45.561 45.100 -0.325 0.000 0.641 214 G HN 0.228 nan 8.290 nan 0.000 0.530 215 K N 0.315 120.610 120.400 -0.176 0.000 2.116 215 K HA 0.100 5.988 4.320 2.612 0.000 0.203 215 K C 1.497 178.046 176.600 -0.085 0.000 1.052 215 K CA 1.731 58.010 56.287 -0.014 0.000 0.952 215 K CB -0.210 32.283 32.500 -0.011 0.000 0.729 215 K HN 0.870 nan 8.250 nan 0.000 0.446 216 T N -2.350 111.921 114.554 -0.472 0.000 2.907 216 T HA 0.584 6.502 4.350 2.612 0.000 0.292 216 T C -1.164 172.783 174.700 -1.255 0.000 1.043 216 T CA -0.923 60.684 62.100 -0.823 0.000 1.003 216 T CB 1.513 70.147 68.868 -0.391 0.000 1.084 216 T HN 0.074 nan 8.240 nan 0.000 0.483 217 W N 0.594 121.038 121.300 -1.426 0.000 2.864 217 W HA 0.731 6.957 4.660 2.610 0.000 0.343 217 W C -0.260 175.842 176.519 -0.695 0.000 1.109 217 W CA -0.814 55.890 57.345 -1.068 0.000 1.192 217 W CB 2.200 30.954 29.460 -1.176 0.000 1.426 217 W HN 0.661 nan 8.180 nan 0.000 0.529 218 K N 1.342 121.396 120.400 -0.577 0.000 2.477 218 K HA 0.595 6.483 4.320 2.612 0.000 0.255 218 K C -1.590 174.853 176.600 -0.261 0.000 0.952 218 K CA -1.035 55.017 56.287 -0.392 0.000 0.826 218 K CB 2.290 34.336 32.500 -0.757 0.000 1.331 218 K HN 0.183 nan 8.250 nan 0.000 0.437 219 F N 0.541 120.583 119.950 0.154 0.000 2.421 219 F HA 0.339 6.444 4.527 2.630 0.000 0.337 219 F C 1.189 177.210 175.800 0.369 0.000 1.105 219 F CA -0.287 57.907 58.000 0.324 0.000 1.049 219 F CB 1.591 40.755 39.000 0.274 0.000 1.139 219 F HN 0.593 nan 8.300 nan 0.000 0.479 220 G N 2.666 111.852 108.800 0.644 0.000 2.432 220 G HA2 0.079 5.607 3.960 2.612 0.000 0.239 220 G HA3 0.079 5.607 3.960 2.612 0.000 0.239 220 G C 0.672 175.809 174.900 0.395 0.000 1.291 220 G CA -0.471 44.936 45.100 0.512 0.000 0.863 220 G HN 0.776 nan 8.290 nan 0.000 0.560 221 K N 1.463 122.029 120.400 0.277 0.000 2.211 221 K HA -0.038 5.849 4.320 2.612 0.000 0.203 221 K C 1.771 178.413 176.600 0.070 0.000 1.050 221 K CA 0.768 57.150 56.287 0.158 0.000 0.945 221 K CB 0.058 32.628 32.500 0.116 0.000 0.732 221 K HN 0.514 nan 8.250 nan 0.000 0.451 222 G N 1.393 110.257 108.800 0.106 0.000 2.543 222 G HA2 0.388 5.915 3.960 2.612 0.000 0.290 222 G HA3 0.388 5.915 3.960 2.612 0.000 0.290 222 G C -0.431 174.075 174.900 -0.657 0.000 1.310 222 G CA -0.547 44.456 45.100 -0.162 0.000 1.025 222 G HN 0.289 nan 8.290 nan 0.000 0.502 223 R N -2.270 117.483 120.500 -1.245 0.000 2.728 223 R HA 0.565 6.472 4.340 2.612 0.000 0.274 223 R C -0.186 175.162 176.300 -1.587 0.000 1.030 223 R CA -0.436 54.755 56.100 -1.516 0.000 0.876 223 R CB 0.584 30.460 30.300 -0.707 0.000 1.259 223 R HN 0.761 nan 8.270 nan 0.000 0.468 224 S N 0.777 115.644 115.700 -1.388 0.000 2.626 224 S HA 0.560 6.598 4.470 2.612 0.000 0.257 224 S C 0.711 174.986 174.600 -0.541 0.000 1.288 224 S CA -0.328 57.301 58.200 -0.951 0.000 0.980 224 S CB 0.637 63.571 63.200 -0.445 0.000 0.975 224 S HN 0.870 nan 8.310 nan 0.000 0.577 225 A N 0.170 122.863 122.820 -0.210 0.000 2.448 225 A HA 0.447 6.335 4.320 2.612 0.000 0.239 225 A C 0.033 177.531 177.584 -0.145 0.000 1.080 225 A CA -0.493 51.446 52.037 -0.162 0.000 0.779 225 A CB -0.700 18.356 19.000 0.094 0.000 1.026 225 A HN 0.668 nan 8.150 nan 0.000 0.499 226 F N 0.185 120.172 119.950 0.061 0.000 2.518 226 F HA 0.397 6.488 4.527 2.606 0.000 0.359 226 F C 1.687 177.560 175.800 0.122 0.000 1.118 226 F CA 1.482 59.545 58.000 0.105 0.000 1.287 226 F CB 0.588 39.624 39.000 0.060 0.000 1.132 226 F HN 0.910 nan 8.300 nan 0.000 0.587 227 G N 0.702 109.704 108.800 0.337 0.000 2.176 227 G HA2 -0.255 5.273 3.960 2.612 0.000 0.232 227 G HA3 -0.255 5.273 3.960 2.612 0.000 0.232 227 G C -0.470 174.557 174.900 0.212 0.000 0.986 227 G CA -0.416 44.826 45.100 0.236 0.000 0.643 227 G HN 0.742 nan 8.290 nan 0.000 0.522 228 C N 2.777 122.211 119.300 0.224 0.000 2.265 228 C HA 0.787 6.815 4.460 2.612 0.000 0.332 228 C C 1.015 176.130 174.990 0.209 0.000 1.248 228 C CA 0.068 59.218 59.018 0.221 0.000 1.727 228 C CB -0.082 27.808 27.740 0.250 0.000 2.348 228 C HN 0.889 nan 8.230 nan 0.000 0.519 229 S N 1.192 117.014 115.700 0.203 0.000 2.751 229 S HA 0.618 6.656 4.470 2.612 0.000 0.310 229 S C -0.429 174.290 174.600 0.198 0.000 1.128 229 S CA -0.617 57.709 58.200 0.210 0.000 0.931 229 S CB 0.561 63.894 63.200 0.222 0.000 1.177 229 S HN 0.749 nan 8.310 nan 0.000 0.530 230 E N 1.027 121.339 120.200 0.187 0.000 2.183 230 E HA -0.128 5.789 4.350 2.612 0.000 0.196 230 E C -2.290 174.399 176.600 0.149 0.000 1.364 230 E CA 0.399 56.876 56.400 0.129 0.000 0.700 230 E CB -1.448 28.295 29.700 0.071 0.000 1.106 230 E HN 0.536 nan 8.360 nan 0.000 0.347 231 P HA 0.156 nan 4.420 nan 0.000 0.275 231 P C -0.463 176.971 177.300 0.224 0.000 1.228 231 P CA -0.115 63.125 63.100 0.232 0.000 0.786 231 P CB 1.627 33.503 31.700 0.294 0.000 0.927 232 V N 1.707 121.769 119.914 0.246 0.000 2.709 232 V HA 0.761 6.449 4.120 2.612 0.000 0.308 232 V C -1.004 175.315 176.094 0.375 0.000 1.062 232 V CA -0.723 61.749 62.300 0.285 0.000 0.901 232 V CB 1.629 33.618 31.823 0.277 0.000 1.003 232 V HN 0.850 nan 8.190 nan 0.000 0.425 233 A N 6.131 129.151 122.820 0.334 0.000 2.454 233 A HA 1.006 6.893 4.320 2.612 0.000 0.302 233 A C -1.272 176.419 177.584 0.178 0.000 1.079 233 A CA -0.569 51.644 52.037 0.294 0.000 0.731 233 A CB 1.822 20.939 19.000 0.196 0.000 1.299 233 A HN 1.681 nan 8.150 nan 0.000 0.413 234 L N -1.668 119.605 121.223 0.083 0.000 2.397 234 L HA 0.899 6.807 4.340 2.612 0.000 0.251 234 L C -0.506 176.379 176.870 0.026 0.000 1.064 234 L CA -0.646 54.179 54.840 -0.025 0.000 0.859 234 L CB 1.535 43.448 42.059 -0.244 0.000 1.468 234 L HN 0.712 nan 8.230 nan 0.000 0.411 235 E N 0.417 120.645 120.200 0.046 0.000 2.176 235 E HA 0.358 6.276 4.350 2.612 0.000 0.267 235 E C -2.159 174.541 176.600 0.168 0.000 0.893 235 E CA -0.694 55.750 56.400 0.072 0.000 0.761 235 E CB 1.614 31.326 29.700 0.020 0.000 1.133 235 E HN 0.679 nan 8.360 nan 0.000 0.409 236 W N 5.471 126.743 121.300 -0.046 0.000 2.830 236 W HA 0.212 6.439 4.660 2.612 0.000 0.335 236 W C -0.847 175.657 176.519 -0.026 0.000 1.043 236 W CA -0.517 56.808 57.345 -0.033 0.000 1.239 236 W CB 1.098 30.544 29.460 -0.023 0.000 1.378 236 W HN 0.801 nan 8.180 nan 0.000 0.456 237 E N 3.361 123.315 120.200 -0.410 0.000 2.328 237 E HA -0.239 5.678 4.350 2.612 0.000 0.233 237 E C 1.031 177.569 176.600 -0.102 0.000 1.219 237 E CA 1.184 57.406 56.400 -0.297 0.000 0.717 237 E CB -1.277 28.232 29.700 -0.319 0.000 1.210 237 E HN 0.991 nan 8.360 nan 0.000 0.381 238 G N -0.264 108.489 108.800 -0.079 0.000 2.176 238 G HA2 -0.348 5.179 3.960 2.612 0.000 0.253 238 G HA3 -0.348 5.179 3.960 2.612 0.000 0.253 238 G C 0.119 175.005 174.900 -0.023 0.000 0.979 238 G CA 0.756 45.826 45.100 -0.049 0.000 0.641 238 G HN 0.282 nan 8.290 nan 0.000 0.530 239 K N -0.083 120.326 120.400 0.016 0.000 2.259 239 K HA 0.705 6.592 4.320 2.612 0.000 0.249 239 K C 0.116 176.731 176.600 0.024 0.000 0.942 239 K CA -0.973 55.323 56.287 0.015 0.000 0.816 239 K CB 2.107 34.634 32.500 0.045 0.000 1.155 239 K HN 0.107 nan 8.250 nan 0.000 0.428 240 L N 3.363 124.567 121.223 -0.031 0.000 2.380 240 L HA 0.327 6.234 4.340 2.612 0.000 0.273 240 L C -0.107 176.757 176.870 -0.010 0.000 1.138 240 L CA -0.283 54.539 54.840 -0.030 0.000 0.832 240 L CB 0.301 42.298 42.059 -0.102 0.000 1.124 240 L HN 0.416 nan 8.230 nan 0.000 0.454 241 I N 4.651 125.264 120.570 0.071 0.000 2.355 241 I HA 0.323 6.060 4.170 2.612 0.000 0.288 241 I C -0.588 175.660 176.117 0.219 0.000 0.999 241 I CA -0.439 60.948 61.300 0.145 0.000 1.163 241 I CB 1.656 39.789 38.000 0.223 0.000 1.316 241 I HN 0.412 nan 8.210 nan 0.000 0.454 242 I N 6.411 127.067 120.570 0.144 0.000 2.355 242 I HA 0.283 6.020 4.170 2.612 0.000 0.288 242 I C 0.003 176.262 176.117 0.238 0.000 0.999 242 I CA -0.218 61.195 61.300 0.187 0.000 1.163 242 I CB 1.049 39.071 38.000 0.037 0.000 1.316 242 I HN 0.455 nan 8.210 nan 0.000 0.454 243 N N 5.087 123.898 118.700 0.184 0.000 2.446 243 N HA 0.374 6.681 4.740 2.612 0.000 0.265 243 N C -0.743 174.838 175.510 0.118 0.000 0.975 243 N CA -0.275 52.770 53.050 -0.008 0.000 0.928 243 N CB 1.371 39.565 38.487 -0.489 0.000 1.160 243 N HN 0.695 nan 8.380 nan 0.000 0.495 244 T N 0.320 114.971 114.554 0.163 0.000 2.918 244 T HA 0.460 6.377 4.350 2.612 0.000 0.286 244 T C 0.226 175.032 174.700 0.178 0.000 1.026 244 T CA -0.954 61.275 62.100 0.214 0.000 1.031 244 T CB 1.728 70.778 68.868 0.303 0.000 1.046 244 T HN 0.487 nan 8.240 nan 0.000 0.479 245 R N 1.434 122.046 120.500 0.186 0.000 2.340 245 R HA 0.549 6.457 4.340 2.612 0.000 0.300 245 R C -1.378 175.019 176.300 0.163 0.000 1.069 245 R CA -0.539 55.669 56.100 0.179 0.000 0.984 245 R CB 0.458 30.859 30.300 0.168 0.000 1.003 245 R HN 0.578 nan 8.270 nan 0.000 0.459 246 V N 4.936 124.930 119.914 0.133 0.000 2.357 246 V HA 0.138 5.825 4.120 2.612 0.000 0.281 246 V C -0.718 175.418 176.094 0.069 0.000 1.015 246 V CA -1.015 61.356 62.300 0.119 0.000 0.827 246 V CB 1.335 33.229 31.823 0.118 0.000 1.018 246 V HN 0.826 nan 8.190 nan 0.000 0.432 247 D N 3.501 123.926 120.400 0.042 0.000 2.455 247 D HA 0.174 6.381 4.640 2.612 0.000 0.241 247 D C 0.563 176.817 176.300 -0.076 0.000 1.138 247 D CA 0.716 54.615 54.000 -0.169 0.000 0.877 247 D CB 0.318 40.979 40.800 -0.232 0.000 1.187 247 D HN 0.678 nan 8.370 nan 0.000 0.451 248 Y N -0.634 119.682 120.300 0.026 0.000 4.668 248 Y HA -0.326 5.791 4.550 2.611 0.000 0.234 248 Y C 0.779 176.690 175.900 0.019 0.000 1.056 248 Y CA 0.662 58.766 58.100 0.007 0.000 2.025 248 Y CB -0.982 37.481 38.460 0.005 0.000 1.613 248 Y HN 0.315 nan 8.280 nan 0.000 0.653 249 R N -0.246 120.320 120.500 0.108 0.000 2.781 249 R HA 0.527 6.435 4.340 2.612 0.000 0.269 249 R C -0.297 176.021 176.300 0.030 0.000 1.025 249 R CA -1.279 54.866 56.100 0.075 0.000 0.914 249 R CB 1.112 31.464 30.300 0.087 0.000 1.236 249 R HN 0.105 nan 8.270 nan 0.000 0.465 250 R N 1.414 121.913 120.500 -0.003 0.000 2.590 250 R HA 0.166 6.073 4.340 2.612 0.000 0.274 250 R C 0.159 176.435 176.300 -0.040 0.000 1.061 250 R CA -0.128 55.942 56.100 -0.049 0.000 1.081 250 R CB 0.407 30.638 30.300 -0.115 0.000 0.984 250 R HN 0.239 nan 8.270 nan 0.000 0.448 251 R N 2.283 122.757 120.500 -0.044 0.000 2.522 251 R HA 0.051 5.958 4.340 2.612 0.000 0.284 251 R C -0.134 176.128 176.300 -0.064 0.000 1.032 251 R CA 0.142 56.235 56.100 -0.012 0.000 1.049 251 R CB 0.222 30.529 30.300 0.012 0.000 0.956 251 R HN 0.344 nan 8.270 nan 0.000 0.422 252 L N 3.371 124.581 121.223 -0.021 0.000 2.307 252 L HA 0.459 6.366 4.340 2.612 0.000 0.282 252 L C -0.377 176.411 176.870 -0.136 0.000 1.051 252 L CA -0.881 53.889 54.840 -0.116 0.000 0.804 252 L CB 1.662 43.711 42.059 -0.018 0.000 1.197 252 L HN 0.304 nan 8.230 nan 0.000 0.431 253 V N 2.798 122.515 119.914 -0.329 0.000 2.656 253 V HA 0.495 6.182 4.120 2.612 0.000 0.307 253 V C -1.048 174.813 176.094 -0.389 0.000 1.051 253 V CA -0.727 61.449 62.300 -0.208 0.000 0.893 253 V CB 1.886 33.614 31.823 -0.158 0.000 0.999 253 V HN 0.436 nan 8.190 nan 0.000 0.426 254 Y N 1.201 121.532 120.300 0.052 0.000 2.536 254 Y HA 0.646 6.766 4.550 2.616 0.000 0.347 254 Y C 0.140 175.996 175.900 -0.073 0.000 1.000 254 Y CA -0.905 57.217 58.100 0.036 0.000 1.051 254 Y CB 2.019 40.582 38.460 0.171 0.000 1.259 254 Y HN 0.565 nan 8.280 nan 0.000 0.468 255 E N 0.596 120.839 120.200 0.072 0.000 2.212 255 E HA 0.621 6.538 4.350 2.612 0.000 0.268 255 E C -1.295 175.240 176.600 -0.109 0.000 0.902 255 E CA -0.878 55.509 56.400 -0.022 0.000 0.779 255 E CB 2.215 31.924 29.700 0.016 0.000 1.172 255 E HN 0.387 nan 8.360 nan 0.000 0.409 256 S N 0.924 116.515 115.700 -0.182 0.000 2.619 256 S HA 0.246 6.284 4.470 2.612 0.000 0.280 256 S C -0.256 174.275 174.600 -0.115 0.000 1.150 256 S CA -0.562 57.520 58.200 -0.197 0.000 0.978 256 S CB 1.326 64.280 63.200 -0.409 0.000 1.041 256 S HN 0.375 nan 8.310 nan 0.000 0.485 257 S N 2.352 118.014 115.700 -0.063 0.000 2.535 257 S HA 0.089 6.126 4.470 2.612 0.000 0.214 257 S C 0.182 174.746 174.600 -0.060 0.000 0.980 257 S CA 0.066 58.236 58.200 -0.050 0.000 0.907 257 S CB -0.058 63.128 63.200 -0.024 0.000 0.790 257 S HN 0.866 nan 8.310 nan 0.000 0.510 258 D N 0.128 120.491 120.400 -0.062 0.000 2.891 258 D HA 0.229 6.437 4.640 2.612 0.000 0.332 258 D C 0.305 176.543 176.300 -0.103 0.000 1.369 258 D CA -0.418 53.545 54.000 -0.061 0.000 0.827 258 D CB -0.206 40.589 40.800 -0.009 0.000 1.141 258 D HN -0.149 nan 8.370 nan 0.000 0.464 259 M N 0.762 120.253 119.600 -0.182 0.000 2.461 259 M HA -0.154 5.893 4.480 2.612 0.000 0.203 259 M C 1.155 177.368 176.300 -0.146 0.000 0.428 259 M CA 1.033 56.137 55.300 -0.326 0.000 0.509 259 M CB -1.977 30.191 32.600 -0.720 0.000 1.851 259 M HN 0.822 nan 8.290 nan 0.000 0.834 260 G N -0.784 107.999 108.800 -0.027 0.000 2.179 260 G HA2 -0.346 5.181 3.960 2.612 0.000 0.260 260 G HA3 -0.346 5.181 3.960 2.612 0.000 0.260 260 G C 0.736 175.890 174.900 0.424 0.000 0.977 260 G CA 0.615 45.857 45.100 0.237 0.000 0.641 260 G HN 0.522 nan 8.290 nan 0.000 0.533 261 N N 0.184 119.025 118.700 0.234 0.000 2.270 261 N HA 0.048 6.355 4.740 2.612 0.000 0.181 261 N C 0.629 176.288 175.510 0.249 0.000 1.016 261 N CA 1.646 54.831 53.050 0.224 0.000 0.870 261 N CB 0.067 38.639 38.487 0.141 0.000 0.979 261 N HN 0.495 nan 8.380 nan 0.000 0.431 262 T N 0.454 115.163 114.554 0.258 0.000 2.881 262 T HA 0.326 6.244 4.350 2.612 0.000 0.291 262 T C -1.192 173.706 174.700 0.331 0.000 0.990 262 T CA -0.550 61.702 62.100 0.254 0.000 0.976 262 T CB 1.213 70.161 68.868 0.133 0.000 0.970 262 T HN 0.019 nan 8.240 nan 0.000 0.438 263 W N 2.905 124.227 121.300 0.036 0.000 2.529 263 W HA 0.759 6.991 4.660 2.620 0.000 0.321 263 W C -0.791 175.799 176.519 0.118 0.000 1.047 263 W CA -1.052 56.333 57.345 0.067 0.000 1.216 263 W CB 1.196 30.638 29.460 -0.030 0.000 1.357 263 W HN 0.391 nan 8.180 nan 0.000 0.489 264 L N 2.641 124.063 121.223 0.331 0.000 2.385 264 L HA 0.428 6.335 4.340 2.612 0.000 0.273 264 L C 0.061 177.086 176.870 0.257 0.000 0.990 264 L CA -0.866 54.124 54.840 0.249 0.000 0.821 264 L CB 1.641 43.775 42.059 0.124 0.000 1.279 264 L HN 0.466 nan 8.230 nan 0.000 0.412 265 E N 3.233 123.541 120.200 0.180 0.000 2.384 265 E HA 0.292 6.209 4.350 2.612 0.000 0.266 265 E C -0.253 176.268 176.600 -0.132 0.000 1.012 265 E CA 0.016 56.349 56.400 -0.113 0.000 0.901 265 E CB 1.161 30.752 29.700 -0.183 0.000 0.967 265 E HN 0.783 nan 8.360 nan 0.000 0.435 266 A N 5.081 127.786 122.820 -0.192 0.000 3.074 266 A HA 0.094 5.981 4.320 2.612 0.000 0.251 266 A C 1.230 178.712 177.584 -0.169 0.000 1.695 266 A CA 0.008 51.963 52.037 -0.137 0.000 1.343 266 A CB -0.933 18.000 19.000 -0.112 0.000 1.078 266 A HN 0.589 nan 8.150 nan 0.000 0.644 267 V N -1.991 117.789 119.914 -0.224 0.000 2.720 267 V HA -0.064 5.624 4.120 2.612 0.000 0.256 267 V C 1.705 177.703 176.094 -0.159 0.000 1.082 267 V CA 2.119 64.216 62.300 -0.339 0.000 1.101 267 V CB -0.896 30.407 31.823 -0.867 0.000 0.693 267 V HN 0.508 nan 8.190 nan 0.000 0.479 268 G N -0.108 108.645 108.800 -0.077 0.000 2.985 268 G HA2 0.229 5.757 3.960 2.612 0.000 0.209 268 G HA3 0.229 5.757 3.960 2.612 0.000 0.209 268 G C 1.082 175.984 174.900 0.003 0.000 1.165 268 G CA 1.050 46.169 45.100 0.030 0.000 0.776 268 G HN 0.702 nan 8.290 nan 0.000 0.541 269 T N -2.467 112.070 114.554 -0.029 0.000 3.451 269 T HA 0.213 6.131 4.350 2.612 0.000 0.201 269 T C 1.716 176.347 174.700 -0.115 0.000 0.965 269 T CA -0.100 61.953 62.100 -0.078 0.000 1.088 269 T CB 0.062 68.863 68.868 -0.112 0.000 1.251 269 T HN -0.018 nan 8.240 nan 0.000 0.325 270 L N 1.025 122.141 121.223 -0.179 0.000 2.781 270 L HA 0.450 6.358 4.340 2.612 0.000 0.245 270 L C 1.071 177.725 176.870 -0.360 0.000 1.118 270 L CA -0.235 54.410 54.840 -0.325 0.000 0.918 270 L CB 0.627 42.549 42.059 -0.229 0.000 1.246 270 L HN 0.271 nan 8.230 nan 0.000 0.526 271 S N 0.686 116.226 115.700 -0.267 0.000 2.549 271 S HA 0.207 6.245 4.470 2.612 0.000 0.283 271 S C 0.974 175.348 174.600 -0.376 0.000 1.320 271 S CA 0.019 58.040 58.200 -0.298 0.000 1.058 271 S CB 0.170 63.193 63.200 -0.296 0.000 0.882 271 S HN 0.421 nan 8.310 nan 0.000 0.498 272 R N 1.335 121.594 120.500 -0.402 0.000 3.922 272 R HA -0.168 5.739 4.340 2.612 0.000 0.447 272 R C 1.016 176.986 176.300 -0.550 0.000 1.035 272 R CA 0.894 56.682 56.100 -0.519 0.000 1.289 272 R CB -2.630 27.154 30.300 -0.859 0.000 1.906 272 R HN 0.495 nan 8.270 nan 0.000 0.540 273 V N -0.261 119.306 119.914 -0.579 0.000 2.261 273 V HA -0.172 5.516 4.120 2.612 0.000 0.246 273 V C 1.283 176.976 176.094 -0.669 0.000 1.047 273 V CA 1.766 63.620 62.300 -0.743 0.000 1.015 273 V CB -0.186 30.879 31.823 -1.264 0.000 0.642 273 V HN 0.253 nan 8.190 nan 0.000 0.446 274 W N 0.681 121.729 121.300 -0.420 0.000 2.316 274 W HA 0.614 6.841 4.660 2.611 0.000 0.308 274 W C 0.402 176.735 176.519 -0.310 0.000 1.106 274 W CA -0.523 56.574 57.345 -0.413 0.000 1.262 274 W CB 0.623 29.787 29.460 -0.493 0.000 1.233 274 W HN 0.157 nan 8.180 nan 0.000 0.447 275 G N 4.075 112.855 108.800 -0.033 0.000 2.389 275 G HA2 0.393 5.920 3.960 2.612 0.000 0.317 275 G HA3 0.393 5.920 3.960 2.612 0.000 0.317 275 G C -1.636 173.240 174.900 -0.041 0.000 1.137 275 G CA -1.187 43.890 45.100 -0.039 0.000 0.870 275 G HN 0.156 nan 8.290 nan 0.000 0.496 276 P HA 0.041 nan 4.420 nan 0.000 0.241 276 P C 0.272 177.654 177.300 0.137 0.000 1.191 276 P CA 0.477 63.619 63.100 0.070 0.000 0.771 276 P CB 0.371 32.113 31.700 0.070 0.000 0.929 277 S N -3.323 112.443 115.700 0.110 0.000 2.615 277 S HA 0.400 6.437 4.470 2.612 0.000 0.268 277 S C -2.741 171.930 174.600 0.119 0.000 1.146 277 S CA -1.234 57.050 58.200 0.140 0.000 0.818 277 S CB 1.300 64.555 63.200 0.091 0.000 1.111 277 S HN -0.349 nan 8.310 nan 0.000 0.465 278 P HA -0.064 nan 4.420 nan 0.000 0.216 278 P C 0.442 177.750 177.300 0.014 0.000 1.150 278 P CA 1.478 64.600 63.100 0.037 0.000 0.843 278 P CB -0.020 31.628 31.700 -0.087 0.000 0.787 279 K N -1.609 118.800 120.400 0.015 0.000 2.440 279 K HA 0.251 6.138 4.320 2.612 0.000 0.206 279 K C 0.144 176.759 176.600 0.025 0.000 1.025 279 K CA 0.021 56.315 56.287 0.011 0.000 1.135 279 K CB 0.083 32.585 32.500 0.004 0.000 0.856 279 K HN -0.147 nan 8.250 nan 0.000 0.502 280 S N 2.762 118.484 115.700 0.036 0.000 3.559 280 S HA -0.137 5.900 4.470 2.612 0.000 0.369 280 S C -0.008 174.629 174.600 0.062 0.000 0.987 280 S CA 1.192 59.414 58.200 0.038 0.000 1.187 280 S CB -1.344 61.866 63.200 0.016 0.000 0.914 280 S HN 0.730 nan 8.310 nan 0.000 0.480 281 N N -0.661 118.087 118.700 0.080 0.000 2.547 281 N HA 0.171 6.478 4.740 2.612 0.000 0.285 281 N C -0.501 175.149 175.510 0.233 0.000 1.600 281 N CA -0.517 52.619 53.050 0.143 0.000 0.872 281 N CB 0.465 39.000 38.487 0.080 0.000 1.412 281 N HN 0.307 nan 8.380 nan 0.000 0.489 282 Q N -0.241 119.632 119.800 0.121 0.000 2.544 282 Q HA 0.574 6.482 4.340 2.612 0.000 0.291 282 Q C -2.930 172.794 176.000 -0.459 0.000 1.068 282 Q CA -1.608 54.163 55.803 -0.054 0.000 0.785 282 Q CB 1.678 30.372 28.738 -0.073 0.000 1.481 282 Q HN 0.035 nan 8.270 nan 0.000 0.430 283 P HA 0.034 nan 4.420 nan 0.000 0.268 283 P C -0.089 177.038 177.300 -0.287 0.000 1.208 283 P CA 0.416 63.062 63.100 -0.758 0.000 0.777 283 P CB 0.421 31.500 31.700 -1.036 0.000 0.875 284 G N 0.462 109.192 108.800 -0.116 0.000 2.531 284 G HA2 0.505 6.032 3.960 2.612 0.000 0.253 284 G HA3 0.505 6.032 3.960 2.612 0.000 0.253 284 G C -0.614 174.378 174.900 0.154 0.000 1.439 284 G CA -0.218 44.955 45.100 0.121 0.000 1.056 284 G HN 0.558 nan 8.290 nan 0.000 0.555 285 S N -2.184 113.616 115.700 0.167 0.000 2.596 285 S HA 0.377 6.414 4.470 2.612 0.000 0.270 285 S C -0.884 173.689 174.600 -0.044 0.000 1.155 285 S CA -0.547 57.693 58.200 0.065 0.000 0.827 285 S CB 1.734 64.751 63.200 -0.305 0.000 1.130 285 S HN 0.729 nan 8.310 nan 0.000 0.467 286 Q N 1.533 121.173 119.800 -0.268 0.000 2.421 286 Q HA 0.444 6.352 4.340 2.612 0.000 0.255 286 Q C -1.101 174.775 176.000 -0.206 0.000 1.013 286 Q CA 0.525 56.113 55.803 -0.358 0.000 0.895 286 Q CB 0.894 29.122 28.738 -0.850 0.000 1.271 286 Q HN 0.633 nan 8.270 nan 0.000 0.460 287 S N 1.486 117.114 115.700 -0.121 0.000 2.540 287 S HA 0.276 6.314 4.470 2.612 0.000 0.275 287 S C -1.198 173.371 174.600 -0.052 0.000 1.123 287 S CA -0.597 57.501 58.200 -0.170 0.000 0.907 287 S CB 1.831 64.937 63.200 -0.157 0.000 1.081 287 S HN 0.625 nan 8.310 nan 0.000 0.476 288 S N 1.885 117.535 115.700 -0.083 0.000 2.537 288 S HA 0.718 6.755 4.470 2.612 0.000 0.275 288 S C -1.326 173.404 174.600 0.215 0.000 1.272 288 S CA -0.240 58.001 58.200 0.069 0.000 1.050 288 S CB 0.043 63.278 63.200 0.059 0.000 0.961 288 S HN 0.509 nan 8.310 nan 0.000 0.496 289 F N 4.547 124.566 119.950 0.115 0.000 2.831 289 F HA 0.457 6.551 4.527 2.612 0.000 0.346 289 F C -0.449 175.448 175.800 0.163 0.000 1.224 289 F CA -0.407 57.708 58.000 0.192 0.000 1.048 289 F CB 1.310 40.461 39.000 0.252 0.000 1.339 289 F HN 0.652 nan 8.300 nan 0.000 0.514 290 T N 2.050 116.607 114.554 0.005 0.000 2.903 290 T HA 0.904 6.822 4.350 2.612 0.000 0.299 290 T C -0.886 173.773 174.700 -0.068 0.000 1.093 290 T CA -0.869 61.212 62.100 -0.031 0.000 1.002 290 T CB 1.828 70.752 68.868 0.094 0.000 1.127 290 T HN 0.849 nan 8.240 nan 0.000 0.488 291 A N 1.797 124.613 122.820 -0.007 0.000 2.288 291 A HA 0.851 6.738 4.320 2.612 0.000 0.320 291 A C 0.162 177.830 177.584 0.140 0.000 1.217 291 A CA -0.635 51.468 52.037 0.111 0.000 0.840 291 A CB 0.366 19.482 19.000 0.194 0.000 1.179 291 A HN 1.811 nan 8.150 nan 0.000 0.504 292 V N -0.507 119.503 119.914 0.161 0.000 3.182 292 V HA 0.868 6.555 4.120 2.612 0.000 0.308 292 V C -0.409 175.766 176.094 0.135 0.000 1.240 292 V CA -0.657 61.734 62.300 0.152 0.000 1.063 292 V CB 1.609 33.508 31.823 0.127 0.000 1.076 292 V HN 0.651 nan 8.190 nan 0.000 0.446 293 T N 2.781 117.425 114.554 0.150 0.000 2.809 293 T HA 0.698 6.615 4.350 2.612 0.000 0.296 293 T C -0.488 174.294 174.700 0.137 0.000 1.015 293 T CA 0.054 62.230 62.100 0.126 0.000 0.954 293 T CB 0.427 69.366 68.868 0.117 0.000 0.950 293 T HN 0.612 nan 8.240 nan 0.000 0.450 294 I N 2.768 123.357 120.570 0.031 0.000 2.406 294 I HA 0.310 6.047 4.170 2.612 0.000 0.290 294 I C 0.296 176.439 176.117 0.044 0.000 0.999 294 I CA -0.713 60.581 61.300 -0.010 0.000 1.124 294 I CB 1.400 39.271 38.000 -0.215 0.000 1.289 294 I HN 0.562 nan 8.210 nan 0.000 0.441 295 E N 4.643 124.891 120.200 0.080 0.000 2.440 295 E HA -0.264 5.654 4.350 2.612 0.000 0.246 295 E C 1.032 177.665 176.600 0.055 0.000 1.165 295 E CA 1.024 57.458 56.400 0.056 0.000 0.726 295 E CB -1.412 28.303 29.700 0.025 0.000 1.271 295 E HN 1.220 nan 8.360 nan 0.000 0.397 296 G N -0.741 108.099 108.800 0.067 0.000 2.184 296 G HA2 -0.350 5.178 3.960 2.612 0.000 0.264 296 G HA3 -0.350 5.178 3.960 2.612 0.000 0.264 296 G C 0.282 175.221 174.900 0.064 0.000 0.975 296 G CA 0.755 45.890 45.100 0.059 0.000 0.642 296 G HN 0.292 nan 8.290 nan 0.000 0.536 297 M N 0.811 120.458 119.600 0.078 0.000 2.243 297 M HA 0.486 6.533 4.480 2.612 0.000 0.324 297 M C 0.341 176.717 176.300 0.127 0.000 1.031 297 M CA -0.843 54.521 55.300 0.107 0.000 0.949 297 M CB 1.649 34.330 32.600 0.135 0.000 1.615 297 M HN -0.078 nan 8.290 nan 0.000 0.430 298 R N 2.456 123.031 120.500 0.125 0.000 2.442 298 R HA 0.506 6.414 4.340 2.612 0.000 0.291 298 R C -0.477 176.068 176.300 0.408 0.000 1.069 298 R CA -0.071 56.129 56.100 0.168 0.000 1.022 298 R CB 0.554 30.825 30.300 -0.050 0.000 0.976 298 R HN 0.713 nan 8.270 nan 0.000 0.443 299 V N -0.157 120.020 119.914 0.438 0.000 3.232 299 V HA 0.607 6.294 4.120 2.612 0.000 0.303 299 V C -0.537 175.729 176.094 0.286 0.000 1.311 299 V CA -1.272 61.279 62.300 0.418 0.000 1.061 299 V CB 2.580 34.570 31.823 0.278 0.000 1.085 299 V HN 0.595 nan 8.190 nan 0.000 0.447 300 M N 2.094 121.769 119.600 0.126 0.000 2.528 300 M HA 0.699 6.746 4.480 2.612 0.000 0.321 300 M C -1.293 175.125 176.300 0.197 0.000 1.153 300 M CA -0.488 54.848 55.300 0.060 0.000 0.951 300 M CB 2.152 34.684 32.600 -0.114 0.000 1.705 300 M HN 0.572 nan 8.290 nan 0.000 0.451 301 L N 2.427 123.776 121.223 0.211 0.000 2.341 301 L HA 0.671 6.579 4.340 2.612 0.000 0.278 301 L C -1.372 175.747 176.870 0.415 0.000 1.005 301 L CA -0.554 54.452 54.840 0.276 0.000 0.818 301 L CB 1.708 43.870 42.059 0.172 0.000 1.259 301 L HN 0.574 nan 8.230 nan 0.000 0.418 302 F N 2.138 122.237 119.950 0.248 0.000 2.561 302 F HA 0.646 6.740 4.527 2.612 0.000 0.313 302 F C -0.328 175.530 175.800 0.097 0.000 1.126 302 F CA -0.336 57.741 58.000 0.128 0.000 0.918 302 F CB 2.057 40.939 39.000 -0.197 0.000 1.199 302 F HN 0.466 nan 8.300 nan 0.000 0.444 303 T N 2.905 117.003 114.554 -0.760 0.000 2.856 303 T HA 0.542 6.459 4.350 2.612 0.000 0.283 303 T C -1.396 172.794 174.700 -0.849 0.000 1.008 303 T CA -0.573 61.187 62.100 -0.567 0.000 0.997 303 T CB 1.700 70.413 68.868 -0.259 0.000 0.992 303 T HN 0.823 nan 8.240 nan 0.000 0.454 304 H N 1.813 120.597 119.070 -0.476 0.000 3.085 304 H HA 0.385 6.508 4.556 2.612 0.000 0.356 304 H C -3.186 172.104 175.328 -0.064 0.000 1.178 304 H CA -1.485 54.398 56.048 -0.275 0.000 1.214 304 H CB 2.716 32.333 29.762 -0.241 0.000 1.881 304 H HN 0.466 nan 8.280 nan 0.000 0.538 305 P HA 0.074 nan 4.420 nan 0.000 0.271 305 P C 0.903 178.346 177.300 0.238 0.000 1.218 305 P CA -0.216 62.903 63.100 0.030 0.000 0.780 305 P CB 1.549 33.213 31.700 -0.059 0.000 0.901 306 L N 0.947 122.232 121.223 0.103 0.000 2.240 306 L HA -0.038 5.869 4.340 2.612 0.000 0.211 306 L C 0.851 177.844 176.870 0.205 0.000 1.106 306 L CA 0.692 55.627 54.840 0.159 0.000 0.793 306 L CB -0.815 41.235 42.059 -0.015 0.000 0.927 306 L HN 0.491 nan 8.230 nan 0.000 0.446 307 N N -0.413 118.347 118.700 0.100 0.000 2.727 307 N HA -0.256 6.052 4.740 2.612 0.000 0.251 307 N C 0.491 176.162 175.510 0.269 0.000 1.040 307 N CA 0.339 53.469 53.050 0.133 0.000 0.712 307 N CB -1.468 37.089 38.487 0.118 0.000 0.912 307 N HN 0.310 nan 8.380 nan 0.000 0.545 308 F N -0.010 119.962 119.950 0.037 0.000 2.234 308 F HA -0.152 5.943 4.527 2.612 0.000 0.299 308 F C 2.034 177.845 175.800 0.019 0.000 1.087 308 F CA 0.775 58.793 58.000 0.029 0.000 1.340 308 F CB 0.062 39.078 39.000 0.027 0.000 1.031 308 F HN 0.233 nan 8.300 nan 0.000 0.500 309 K N 0.385 120.910 120.400 0.209 0.000 2.217 309 K HA 0.111 5.998 4.320 2.612 0.000 0.202 309 K C 1.037 177.685 176.600 0.080 0.000 1.051 309 K CA 0.539 56.897 56.287 0.117 0.000 0.952 309 K CB -0.360 32.189 32.500 0.082 0.000 0.736 309 K HN 0.351 nan 8.250 nan 0.000 0.453 310 G N 0.996 109.837 108.800 0.069 0.000 2.757 310 G HA2 -0.280 5.248 3.960 2.612 0.000 0.638 310 G HA3 -0.280 5.248 3.960 2.612 0.000 0.638 310 G C -0.501 174.385 174.900 -0.023 0.000 1.344 310 G CA -0.258 44.852 45.100 0.017 0.000 0.855 310 G HN 0.325 nan 8.290 nan 0.000 0.537 311 R N -2.290 118.139 120.500 -0.118 0.000 3.895 311 R HA -0.225 5.682 4.340 2.612 0.000 0.431 311 R C 1.072 177.179 176.300 -0.321 0.000 0.241 311 R CA 2.107 58.048 56.100 -0.264 0.000 1.369 311 R CB -1.310 29.004 30.300 0.024 0.000 1.017 311 R HN 0.804 nan 8.270 nan 0.000 0.556 312 W N 1.145 122.467 121.300 0.036 0.000 3.316 312 W HA 0.212 6.438 4.660 2.611 0.000 0.327 312 W C 1.609 178.128 176.519 -0.001 0.000 1.232 312 W CA -0.071 57.282 57.345 0.013 0.000 1.805 312 W CB -0.165 29.299 29.460 0.008 0.000 1.090 312 W HN 0.349 nan 8.180 nan 0.000 0.654 313 L N 0.687 121.999 121.223 0.147 0.000 2.017 313 L HA -0.109 5.798 4.340 2.612 0.000 0.208 313 L C 1.162 178.052 176.870 0.032 0.000 1.073 313 L CA 1.338 56.225 54.840 0.079 0.000 0.745 313 L CB -0.621 41.472 42.059 0.057 0.000 0.894 313 L HN -0.088 nan 8.230 nan 0.000 0.432 314 R N 1.314 121.830 120.500 0.027 0.000 3.205 314 R HA -0.140 5.768 4.340 2.612 0.000 0.249 314 R C -0.396 175.887 176.300 -0.029 0.000 0.937 314 R CA 0.547 56.649 56.100 0.004 0.000 0.641 314 R CB -1.808 28.491 30.300 -0.002 0.000 1.114 314 R HN 0.606 nan 8.270 nan 0.000 0.451 315 D N 0.863 121.244 120.400 -0.032 0.000 2.360 315 D HA 0.106 6.313 4.640 2.612 0.000 0.242 315 D C 0.005 176.221 176.300 -0.139 0.000 1.184 315 D CA -0.411 53.543 54.000 -0.076 0.000 0.930 315 D CB 0.484 41.243 40.800 -0.068 0.000 1.161 315 D HN 0.278 nan 8.370 nan 0.000 0.447 316 R N -0.937 119.458 120.500 -0.175 0.000 3.076 316 R HA -0.195 5.712 4.340 2.612 0.000 0.261 316 R C -0.586 175.607 176.300 -0.177 0.000 0.930 316 R CA -0.237 55.726 56.100 -0.229 0.000 0.649 316 R CB -1.819 28.227 30.300 -0.423 0.000 1.350 316 R HN 0.430 nan 8.270 nan 0.000 0.453 317 L N 1.832 122.946 121.223 -0.183 0.000 2.534 317 L HA 0.080 5.988 4.340 2.612 0.000 0.271 317 L C 0.286 177.053 176.870 -0.172 0.000 1.178 317 L CA 0.913 55.638 54.840 -0.192 0.000 0.907 317 L CB 0.292 42.150 42.059 -0.335 0.000 1.164 317 L HN 0.283 nan 8.230 nan 0.000 0.482 318 N N 4.205 122.845 118.700 -0.100 0.000 2.319 318 N HA 0.438 6.745 4.740 2.612 0.000 0.305 318 N C -1.544 173.880 175.510 -0.143 0.000 1.103 318 N CA -0.784 52.182 53.050 -0.140 0.000 0.815 318 N CB 2.274 40.700 38.487 -0.102 0.000 1.288 318 N HN 0.419 nan 8.380 nan 0.000 0.493 319 L N 2.253 123.328 121.223 -0.247 0.000 2.317 319 L HA 0.590 6.497 4.340 2.612 0.000 0.281 319 L C -1.690 175.031 176.870 -0.249 0.000 1.024 319 L CA -0.388 54.372 54.840 -0.134 0.000 0.810 319 L CB 0.653 42.667 42.059 -0.075 0.000 1.240 319 L HN 0.499 nan 8.230 nan 0.000 0.427 320 W N 5.465 126.859 121.300 0.157 0.000 2.736 320 W HA 0.631 6.859 4.660 2.613 0.000 0.335 320 W C -1.184 175.532 176.519 0.329 0.000 1.059 320 W CA -0.640 56.886 57.345 0.301 0.000 1.226 320 W CB 1.692 31.442 29.460 0.484 0.000 1.416 320 W HN 0.383 nan 8.180 nan 0.000 0.505 321 L N 2.942 124.524 121.223 0.600 0.000 2.333 321 L HA 0.836 6.743 4.340 2.612 0.000 0.280 321 L C -0.429 176.813 176.870 0.620 0.000 1.004 321 L CA 0.002 55.137 54.840 0.492 0.000 0.820 321 L CB 1.740 44.008 42.059 0.349 0.000 1.247 321 L HN 0.377 nan 8.230 nan 0.000 0.416 322 T N 1.776 116.633 114.554 0.506 0.000 2.933 322 T HA 0.407 6.324 4.350 2.612 0.000 0.305 322 T C -0.555 174.305 174.700 0.267 0.000 1.092 322 T CA -0.343 62.015 62.100 0.429 0.000 1.008 322 T CB 1.068 70.123 68.868 0.312 0.000 1.102 322 T HN 0.745 nan 8.240 nan 0.000 0.469 323 D N 3.224 123.747 120.400 0.206 0.000 2.427 323 D HA 0.158 6.365 4.640 2.612 0.000 0.224 323 D C 0.787 177.065 176.300 -0.036 0.000 1.157 323 D CA -0.274 53.822 54.000 0.160 0.000 0.828 323 D CB -0.646 40.307 40.800 0.255 0.000 0.974 323 D HN 0.804 nan 8.370 nan 0.000 0.498 324 N N -0.371 118.189 118.700 -0.233 0.000 2.909 324 N HA -0.255 6.052 4.740 2.612 0.000 0.242 324 N C 0.362 175.772 175.510 -0.166 0.000 0.975 324 N CA 1.115 54.004 53.050 -0.267 0.000 0.921 324 N CB -0.375 37.916 38.487 -0.326 0.000 1.112 324 N HN 0.420 nan 8.380 nan 0.000 0.581 325 Q N -0.563 119.123 119.800 -0.190 0.000 2.546 325 Q HA 0.225 6.132 4.340 2.612 0.000 0.203 325 Q C -0.072 175.771 176.000 -0.262 0.000 0.740 325 Q CA -0.100 55.539 55.803 -0.273 0.000 0.879 325 Q CB 0.431 28.973 28.738 -0.327 0.000 1.265 325 Q HN 0.130 nan 8.270 nan 0.000 0.585 326 R N 0.799 121.087 120.500 -0.353 0.000 2.500 326 R HA 0.552 6.459 4.340 2.612 0.000 0.277 326 R C -0.655 175.678 176.300 0.055 0.000 1.026 326 R CA 0.069 56.024 56.100 -0.241 0.000 1.058 326 R CB 1.056 30.955 30.300 -0.669 0.000 1.078 326 R HN 0.122 nan 8.270 nan 0.000 0.509 327 I N 2.074 122.814 120.570 0.283 0.000 2.497 327 I HA 0.222 5.960 4.170 2.612 0.000 0.284 327 I C -1.416 175.070 176.117 0.614 0.000 1.060 327 I CA -0.790 60.765 61.300 0.425 0.000 1.071 327 I CB 1.339 39.455 38.000 0.193 0.000 1.216 327 I HN 0.530 nan 8.210 nan 0.000 0.442 328 Y N 6.395 127.070 120.300 0.625 0.000 2.352 328 Y HA 0.436 6.553 4.550 2.612 0.000 0.339 328 Y C 0.001 176.121 175.900 0.365 0.000 0.992 328 Y CA -0.677 57.715 58.100 0.485 0.000 1.100 328 Y CB 1.298 40.005 38.460 0.411 0.000 1.192 328 Y HN 0.529 nan 8.280 nan 0.000 0.458 329 N N 4.929 123.268 118.700 -0.603 0.000 2.415 329 N HA 0.092 6.399 4.740 2.612 0.000 0.246 329 N C 0.274 175.278 175.510 -0.844 0.000 1.078 329 N CA 0.158 52.640 53.050 -0.947 0.000 0.942 329 N CB 1.031 38.973 38.487 -0.909 0.000 1.140 329 N HN 0.623 nan 8.380 nan 0.000 0.501 330 V N 2.499 122.174 119.914 -0.398 0.000 2.548 330 V HA 0.195 5.883 4.120 2.612 0.000 0.249 330 V C 1.493 177.486 176.094 -0.169 0.000 1.055 330 V CA 1.511 63.771 62.300 -0.066 0.000 1.065 330 V CB -1.408 30.440 31.823 0.041 0.000 0.681 330 V HN 0.919 nan 8.190 nan 0.000 0.462 331 G N -0.696 107.917 108.800 -0.312 0.000 2.293 331 G HA2 -0.042 5.485 3.960 2.612 0.000 0.282 331 G HA3 -0.042 5.485 3.960 2.612 0.000 0.282 331 G C -0.862 173.903 174.900 -0.224 0.000 1.299 331 G CA -0.173 44.775 45.100 -0.254 0.000 1.018 331 G HN 0.270 nan 8.290 nan 0.000 0.478 332 Q N -0.192 119.510 119.800 -0.163 0.000 2.322 332 Q HA 0.559 6.467 4.340 2.612 0.000 0.256 332 Q C 0.802 176.726 176.000 -0.126 0.000 0.960 332 Q CA -0.454 55.257 55.803 -0.154 0.000 0.934 332 Q CB 1.467 30.122 28.738 -0.138 0.000 1.200 332 Q HN 0.477 nan 8.270 nan 0.000 0.435 333 V N 2.628 122.453 119.914 -0.148 0.000 2.535 333 V HA -0.079 5.609 4.120 2.612 0.000 0.246 333 V C 1.000 177.032 176.094 -0.104 0.000 1.045 333 V CA 1.300 63.526 62.300 -0.123 0.000 1.058 333 V CB 0.015 31.739 31.823 -0.165 0.000 0.689 333 V HN 0.861 nan 8.190 nan 0.000 0.461 334 S N 0.290 115.878 115.700 -0.187 0.000 2.617 334 S HA 0.447 6.485 4.470 2.612 0.000 0.259 334 S C -0.313 174.270 174.600 -0.028 0.000 1.301 334 S CA -0.365 57.780 58.200 -0.092 0.000 0.984 334 S CB 0.738 63.850 63.200 -0.148 0.000 0.954 334 S HN 0.224 nan 8.310 nan 0.000 0.572 335 I N 1.883 122.462 120.570 0.015 0.000 2.339 335 I HA 0.528 6.265 4.170 2.612 0.000 0.290 335 I C 1.278 177.387 176.117 -0.013 0.000 0.994 335 I CA 0.001 61.303 61.300 0.003 0.000 1.191 335 I CB 0.422 38.436 38.000 0.022 0.000 1.343 335 I HN 1.143 nan 8.210 nan 0.000 0.458 336 G N 5.962 114.747 108.800 -0.024 0.000 2.596 336 G HA2 -0.343 5.185 3.960 2.612 0.000 0.295 336 G HA3 -0.343 5.185 3.960 2.612 0.000 0.295 336 G C 0.359 175.235 174.900 -0.040 0.000 1.240 336 G CA 0.572 45.658 45.100 -0.024 0.000 0.985 336 G HN 0.870 nan 8.290 nan 0.000 0.555 337 D N 1.768 122.153 120.400 -0.026 0.000 2.395 337 D HA 0.160 6.367 4.640 2.612 0.000 0.226 337 D C 0.951 177.232 176.300 -0.031 0.000 1.146 337 D CA 0.694 54.676 54.000 -0.031 0.000 0.830 337 D CB -0.609 40.191 40.800 -0.000 0.000 0.958 337 D HN 0.972 nan 8.370 nan 0.000 0.501 338 E N 0.344 120.525 120.200 -0.030 0.000 2.415 338 E HA 0.018 5.936 4.350 2.612 0.000 0.262 338 E C -0.343 176.234 176.600 -0.038 0.000 1.038 338 E CA -0.464 55.920 56.400 -0.026 0.000 0.921 338 E CB 0.424 30.119 29.700 -0.007 0.000 0.950 338 E HN -0.083 nan 8.360 nan 0.000 0.438 339 N N 1.486 120.158 118.700 -0.046 0.000 2.497 339 N HA 0.091 6.399 4.740 2.612 0.000 0.271 339 N C -0.963 174.521 175.510 -0.043 0.000 1.142 339 N CA -0.076 52.941 53.050 -0.056 0.000 0.965 339 N CB 1.279 39.716 38.487 -0.083 0.000 1.077 339 N HN 0.582 nan 8.380 nan 0.000 0.462 340 S N -0.873 114.806 115.700 -0.035 0.000 2.689 340 S HA 0.480 6.518 4.470 2.612 0.000 0.151 340 S C 0.372 174.951 174.600 -0.035 0.000 1.155 340 S CA -0.746 57.459 58.200 0.008 0.000 1.144 340 S CB 0.352 63.538 63.200 -0.023 0.000 1.526 340 S HN 0.524 nan 8.310 nan 0.000 0.419 341 A N 1.781 124.571 122.820 -0.049 0.000 1.844 341 A HA 0.409 6.296 4.320 2.612 0.000 0.212 341 A C 0.188 177.836 177.584 0.106 0.000 1.221 341 A CA 0.918 52.904 52.037 -0.085 0.000 0.607 341 A CB -0.415 18.378 19.000 -0.345 0.000 0.878 341 A HN 0.692 nan 8.150 nan 0.000 0.451 342 Y N 0.263 120.571 120.300 0.013 0.000 2.320 342 Y HA 0.567 6.685 4.550 2.613 0.000 0.324 342 Y C 0.649 176.564 175.900 0.026 0.000 1.190 342 Y CA -1.294 56.801 58.100 -0.010 0.000 1.215 342 Y CB 1.034 39.496 38.460 0.002 0.000 1.221 342 Y HN 0.417 nan 8.280 nan 0.000 0.486 343 S N -0.047 115.751 115.700 0.162 0.000 2.588 343 S HA 0.752 6.790 4.470 2.612 0.000 0.269 343 S C -1.128 173.529 174.600 0.095 0.000 1.157 343 S CA -0.916 57.361 58.200 0.128 0.000 0.824 343 S CB 2.078 65.305 63.200 0.045 0.000 1.126 343 S HN 0.523 nan 8.310 nan 0.000 0.464 344 S N 0.626 116.401 115.700 0.125 0.000 2.668 344 S HA 0.595 6.632 4.470 2.612 0.000 0.277 344 S C -1.482 173.214 174.600 0.161 0.000 1.170 344 S CA -0.488 57.792 58.200 0.133 0.000 0.994 344 S CB 1.012 64.297 63.200 0.141 0.000 1.051 344 S HN 0.871 nan 8.310 nan 0.000 0.484 345 V N 5.533 125.539 119.914 0.155 0.000 2.394 345 V HA 0.631 6.318 4.120 2.612 0.000 0.282 345 V C -0.407 175.819 176.094 0.220 0.000 1.031 345 V CA -0.698 61.709 62.300 0.177 0.000 0.881 345 V CB 1.289 33.194 31.823 0.138 0.000 0.982 345 V HN 0.758 nan 8.190 nan 0.000 0.451 346 L N 5.665 127.059 121.223 0.284 0.000 2.362 346 L HA 0.586 6.493 4.340 2.612 0.000 0.275 346 L C -1.289 175.827 176.870 0.410 0.000 0.998 346 L CA -0.500 54.533 54.840 0.322 0.000 0.820 346 L CB 1.611 43.867 42.059 0.328 0.000 1.270 346 L HN 0.629 nan 8.230 nan 0.000 0.415 347 Y N 5.331 125.759 120.300 0.213 0.000 2.334 347 Y HA 0.580 6.697 4.550 2.612 0.000 0.336 347 Y C -0.861 175.156 175.900 0.195 0.000 0.960 347 Y CA -0.565 57.645 58.100 0.184 0.000 1.164 347 Y CB 0.747 39.280 38.460 0.123 0.000 1.155 347 Y HN 0.696 nan 8.280 nan 0.000 0.478 348 K N 5.569 125.918 120.400 -0.085 0.000 2.541 348 K HA 0.253 6.140 4.320 2.612 0.000 0.250 348 K C -1.043 175.473 176.600 -0.139 0.000 0.950 348 K CA -0.450 55.796 56.287 -0.067 0.000 0.805 348 K CB 0.940 33.504 32.500 0.106 0.000 1.166 348 K HN 0.776 nan 8.250 nan 0.000 0.430 349 D N 3.915 124.197 120.400 -0.195 0.000 2.686 349 D HA -0.209 5.999 4.640 2.612 0.000 0.235 349 D C -0.378 175.820 176.300 -0.170 0.000 1.160 349 D CA 1.824 55.743 54.000 -0.135 0.000 0.645 349 D CB -0.709 40.070 40.800 -0.036 0.000 1.039 349 D HN 1.006 nan 8.370 nan 0.000 0.423 350 D N -0.974 119.188 120.400 -0.396 0.000 2.811 350 D HA -0.209 5.999 4.640 2.612 0.000 0.231 350 D C -0.730 175.529 176.300 -0.067 0.000 1.157 350 D CA 1.218 55.078 54.000 -0.234 0.000 0.716 350 D CB -0.016 40.785 40.800 0.000 0.000 1.077 350 D HN 0.302 nan 8.370 nan 0.000 0.428 351 K N -0.028 120.286 120.400 -0.144 0.000 2.422 351 K HA 0.591 6.478 4.320 2.612 0.000 0.251 351 K C -0.726 175.778 176.600 -0.161 0.000 0.933 351 K CA -1.061 55.142 56.287 -0.139 0.000 0.798 351 K CB 2.022 34.419 32.500 -0.172 0.000 1.238 351 K HN 0.089 nan 8.250 nan 0.000 0.428 352 L N 2.725 123.792 121.223 -0.259 0.000 2.317 352 L HA 0.503 6.410 4.340 2.612 0.000 0.281 352 L C -1.539 175.066 176.870 -0.441 0.000 1.024 352 L CA -0.306 54.468 54.840 -0.110 0.000 0.810 352 L CB 0.741 42.819 42.059 0.032 0.000 1.240 352 L HN 0.489 nan 8.230 nan 0.000 0.427 353 Y N 2.962 123.303 120.300 0.068 0.000 2.553 353 Y HA 0.648 6.765 4.550 2.612 0.000 0.347 353 Y C -0.483 175.419 175.900 0.002 0.000 1.019 353 Y CA -0.640 57.433 58.100 -0.046 0.000 1.032 353 Y CB 2.117 40.575 38.460 -0.003 0.000 1.284 353 Y HN 0.659 nan 8.280 nan 0.000 0.466 354 C N 3.329 122.685 119.300 0.093 0.000 2.608 354 C HA 0.710 6.738 4.460 2.612 0.000 0.325 354 C C -1.617 173.459 174.990 0.144 0.000 1.147 354 C CA -0.751 58.356 59.018 0.148 0.000 1.359 354 C CB 0.178 28.009 27.740 0.151 0.000 1.912 354 C HN 0.803 nan 8.230 nan 0.000 0.466 355 L N 7.017 128.370 121.223 0.217 0.000 2.265 355 L HA 0.777 6.684 4.340 2.612 0.000 0.289 355 L C -0.250 176.732 176.870 0.186 0.000 1.033 355 L CA 0.650 55.612 54.840 0.202 0.000 0.814 355 L CB 0.536 42.737 42.059 0.237 0.000 1.203 355 L HN 0.959 nan 8.230 nan 0.000 0.423 356 H N 1.273 120.386 119.070 0.072 0.000 3.016 356 H HA 0.585 6.708 4.556 2.612 0.000 0.362 356 H C -1.235 174.124 175.328 0.051 0.000 1.233 356 H CA -0.996 55.084 56.048 0.054 0.000 1.124 356 H CB 0.817 30.600 29.762 0.036 0.000 1.850 356 H HN 0.540 nan 8.280 nan 0.000 0.549 357 E N 1.259 121.607 120.200 0.248 0.000 2.383 357 E HA 0.319 6.237 4.350 2.612 0.000 0.264 357 E C -0.178 176.543 176.600 0.201 0.000 1.050 357 E CA -0.302 56.210 56.400 0.186 0.000 0.896 357 E CB 1.183 30.997 29.700 0.191 0.000 0.982 357 E HN 0.550 nan 8.360 nan 0.000 0.424 358 I N -0.245 120.376 120.570 0.086 0.000 2.582 358 I HA 0.460 6.197 4.170 2.612 0.000 0.292 358 I C -0.936 175.121 176.117 -0.100 0.000 1.066 358 I CA -0.815 60.497 61.300 0.020 0.000 1.053 358 I CB 1.970 39.973 38.000 0.006 0.000 1.241 358 I HN 0.354 nan 8.210 nan 0.000 0.421 359 N N 4.044 122.612 118.700 -0.220 0.000 2.461 359 N HA 0.441 6.749 4.740 2.612 0.000 0.284 359 N C -1.578 173.751 175.510 -0.301 0.000 1.049 359 N CA -0.305 52.443 53.050 -0.504 0.000 0.889 359 N CB 1.755 39.761 38.487 -0.801 0.000 1.365 359 N HN 0.713 nan 8.380 nan 0.000 0.499 360 S N 2.709 118.259 115.700 -0.250 0.000 2.552 360 S HA 0.240 6.277 4.470 2.612 0.000 0.314 360 S C 0.133 174.655 174.600 -0.130 0.000 1.099 360 S CA -0.451 57.660 58.200 -0.148 0.000 1.070 360 S CB 0.978 64.123 63.200 -0.093 0.000 0.998 360 S HN 0.876 nan 8.310 nan 0.000 0.474 361 N N 2.751 121.396 118.700 -0.092 0.000 2.735 361 N HA -0.184 6.123 4.740 2.612 0.000 0.248 361 N C -0.384 175.115 175.510 -0.018 0.000 1.083 361 N CA 1.174 54.199 53.050 -0.042 0.000 0.703 361 N CB -0.952 37.523 38.487 -0.020 0.000 1.005 361 N HN 0.697 nan 8.380 nan 0.000 0.550 362 E N -3.331 116.824 120.200 -0.076 0.000 2.637 362 E HA -0.190 5.728 4.350 2.612 0.000 0.265 362 E C -0.834 175.870 176.600 0.173 0.000 1.073 362 E CA 1.228 57.652 56.400 0.039 0.000 0.778 362 E CB -2.004 27.790 29.700 0.158 0.000 1.362 362 E HN 0.386 nan 8.360 nan 0.000 0.413 363 V N 0.737 120.631 119.914 -0.034 0.000 2.487 363 V HA 0.513 6.200 4.120 2.612 0.000 0.298 363 V C -0.316 175.742 176.094 -0.060 0.000 1.028 363 V CA -0.737 61.581 62.300 0.030 0.000 0.860 363 V CB 1.280 33.002 31.823 -0.168 0.000 0.991 363 V HN 0.067 nan 8.190 nan 0.000 0.427 364 Y N 1.489 121.789 120.300 0.001 0.000 2.364 364 Y HA 0.689 6.807 4.550 2.613 0.000 0.340 364 Y C 0.572 176.522 175.900 0.083 0.000 0.975 364 Y CA -0.496 57.619 58.100 0.025 0.000 1.089 364 Y CB 2.350 40.821 38.460 0.018 0.000 1.192 364 Y HN 0.611 nan 8.280 nan 0.000 0.454 365 S N 2.898 118.716 115.700 0.195 0.000 2.664 365 S HA 0.718 6.755 4.470 2.612 0.000 0.304 365 S C -0.947 173.723 174.600 0.116 0.000 1.099 365 S CA -0.892 57.421 58.200 0.189 0.000 1.003 365 S CB 1.119 64.373 63.200 0.090 0.000 1.092 365 S HN 0.453 nan 8.310 nan 0.000 0.525 366 L N 2.212 123.470 121.223 0.058 0.000 2.313 366 L HA 0.591 6.498 4.340 2.612 0.000 0.283 366 L C -0.374 176.484 176.870 -0.019 0.000 1.013 366 L CA -0.961 53.866 54.840 -0.021 0.000 0.816 366 L CB 1.457 43.429 42.059 -0.145 0.000 1.236 366 L HN 0.455 nan 8.230 nan 0.000 0.419 367 V N 0.009 119.839 119.914 -0.139 0.000 2.617 367 V HA 0.508 6.196 4.120 2.612 0.000 0.298 367 V C -0.771 175.301 176.094 -0.037 0.000 1.048 367 V CA -0.617 61.604 62.300 -0.133 0.000 0.964 367 V CB 1.748 33.409 31.823 -0.270 0.000 1.004 367 V HN 0.558 nan 8.190 nan 0.000 0.466 368 F N 3.896 123.804 119.950 -0.071 0.000 2.347 368 F HA 0.831 6.925 4.527 2.612 0.000 0.366 368 F C 0.222 176.081 175.800 0.099 0.000 1.107 368 F CA -0.579 57.443 58.000 0.036 0.000 1.058 368 F CB 0.503 39.530 39.000 0.045 0.000 1.236 368 F HN 0.951 nan 8.300 nan 0.000 0.456 369 A N 6.601 129.208 122.820 -0.354 0.000 2.330 369 A HA 0.714 6.602 4.320 2.612 0.000 0.327 369 A C -0.557 176.854 177.584 -0.290 0.000 1.155 369 A CA -0.916 50.993 52.037 -0.213 0.000 0.803 369 A CB 0.875 19.849 19.000 -0.043 0.000 1.208 369 A HN 0.815 nan 8.150 nan 0.000 0.477 370 R N 2.333 122.732 120.500 -0.169 0.000 2.204 370 R HA 0.305 6.212 4.340 2.612 0.000 0.341 370 R C -0.922 175.291 176.300 -0.146 0.000 1.035 370 R CA -0.214 55.784 56.100 -0.171 0.000 0.887 370 R CB 0.635 30.903 30.300 -0.054 0.000 1.114 370 R HN 0.636 nan 8.270 nan 0.000 0.473 371 L N 4.503 125.618 121.223 -0.180 0.000 2.536 371 L HA 0.099 6.006 4.340 2.612 0.000 0.242 371 L C 1.301 178.111 176.870 -0.100 0.000 1.280 371 L CA -0.214 54.564 54.840 -0.103 0.000 1.221 371 L CB 0.420 42.438 42.059 -0.070 0.000 1.449 371 L HN 0.536 nan 8.230 nan 0.000 0.405 372 V N 1.155 121.018 119.914 -0.084 0.000 2.283 372 V HA -0.146 5.541 4.120 2.612 0.000 0.243 372 V C 2.472 178.542 176.094 -0.040 0.000 1.039 372 V CA 2.140 64.402 62.300 -0.064 0.000 1.016 372 V CB -0.565 31.230 31.823 -0.048 0.000 0.650 372 V HN 0.816 nan 8.190 nan 0.000 0.449 373 G N -0.108 108.674 108.800 -0.031 0.000 2.446 373 G HA2 -0.271 5.257 3.960 2.612 0.000 0.217 373 G HA3 -0.271 5.257 3.960 2.612 0.000 0.217 373 G C 1.418 176.305 174.900 -0.021 0.000 1.168 373 G CA 1.127 46.214 45.100 -0.021 0.000 0.771 373 G HN 0.540 nan 8.290 nan 0.000 0.551 374 E N -0.151 120.034 120.200 -0.025 0.000 2.110 374 E HA -0.064 5.853 4.350 2.612 0.000 0.193 374 E C 2.289 178.875 176.600 -0.023 0.000 0.988 374 E CA 0.511 56.900 56.400 -0.019 0.000 0.804 374 E CB -0.359 29.327 29.700 -0.023 0.000 0.745 374 E HN 0.366 nan 8.360 nan 0.000 0.458 375 L N 0.784 121.989 121.223 -0.030 0.000 2.093 375 L HA -0.068 5.839 4.340 2.612 0.000 0.208 375 L C 2.254 179.101 176.870 -0.038 0.000 1.085 375 L CA 1.668 56.490 54.840 -0.031 0.000 0.755 375 L CB -0.287 41.768 42.059 -0.005 0.000 0.904 375 L HN -0.032 nan 8.230 nan 0.000 0.435 376 R N -0.304 120.177 120.500 -0.032 0.000 2.096 376 R HA -0.199 5.708 4.340 2.612 0.000 0.240 376 R C 2.310 178.577 176.300 -0.054 0.000 1.139 376 R CA 2.343 58.422 56.100 -0.036 0.000 0.952 376 R CB -0.447 29.838 30.300 -0.025 0.000 0.854 376 R HN 0.456 nan 8.270 nan 0.000 0.436 377 I N 0.437 120.981 120.570 -0.044 0.000 2.179 377 I HA -0.309 5.429 4.170 2.612 0.000 0.242 377 I C 2.309 178.343 176.117 -0.140 0.000 1.088 377 I CA 1.367 62.635 61.300 -0.054 0.000 1.357 377 I CB -0.213 37.802 38.000 0.025 0.000 1.051 377 I HN 0.243 nan 8.210 nan 0.000 0.409 378 I N 0.568 121.069 120.570 -0.115 0.000 2.208 378 I HA -0.315 5.422 4.170 2.612 0.000 0.245 378 I C 2.481 178.459 176.117 -0.231 0.000 1.097 378 I CA 1.544 62.736 61.300 -0.181 0.000 1.363 378 I CB -0.345 37.586 38.000 -0.114 0.000 1.051 378 I HN 0.168 nan 8.210 nan 0.000 0.413 379 K N -0.085 120.222 120.400 -0.155 0.000 2.097 379 K HA -0.154 5.733 4.320 2.612 0.000 0.205 379 K C 2.351 178.850 176.600 -0.168 0.000 1.050 379 K CA 1.484 57.689 56.287 -0.137 0.000 0.938 379 K CB -0.232 32.223 32.500 -0.075 0.000 0.718 379 K HN 0.182 nan 8.250 nan 0.000 0.442 380 S N 0.725 116.322 115.700 -0.171 0.000 2.356 380 S HA -0.124 5.914 4.470 2.612 0.000 0.223 380 S C 2.031 176.473 174.600 -0.263 0.000 1.032 380 S CA 1.200 59.297 58.200 -0.172 0.000 1.005 380 S CB -0.154 62.967 63.200 -0.133 0.000 0.867 380 S HN 0.072 nan 8.310 nan 0.000 0.449 381 V N 2.170 121.828 119.914 -0.427 0.000 2.358 381 V HA -0.115 5.572 4.120 2.612 0.000 0.246 381 V C 2.392 178.017 176.094 -0.781 0.000 1.047 381 V CA 1.732 63.627 62.300 -0.675 0.000 1.035 381 V CB -0.696 30.483 31.823 -1.074 0.000 0.658 381 V HN 0.477 nan 8.190 nan 0.000 0.452 382 L N -0.540 120.309 121.223 -0.623 0.000 2.083 382 L HA -0.247 5.661 4.340 2.612 0.000 0.209 382 L C 2.623 179.403 176.870 -0.150 0.000 1.083 382 L CA 1.616 56.217 54.840 -0.398 0.000 0.752 382 L CB -0.574 41.356 42.059 -0.215 0.000 0.899 382 L HN 0.350 nan 8.230 nan 0.000 0.433 383 Q N -0.040 119.667 119.800 -0.154 0.000 2.084 383 Q HA -0.164 5.743 4.340 2.612 0.000 0.202 383 Q C 2.344 178.288 176.000 -0.094 0.000 0.978 383 Q CA 2.087 57.833 55.803 -0.094 0.000 0.844 383 Q CB -0.063 28.616 28.738 -0.098 0.000 0.898 383 Q HN 0.355 nan 8.270 nan 0.000 0.426 384 S N -0.584 115.050 115.700 -0.110 0.000 2.356 384 S HA -0.145 5.892 4.470 2.612 0.000 0.223 384 S C 1.301 176.009 174.600 0.181 0.000 1.032 384 S CA 1.181 59.353 58.200 -0.047 0.000 1.005 384 S CB -0.487 62.747 63.200 0.057 0.000 0.867 384 S HN 0.495 nan 8.310 nan 0.000 0.449 385 W N 2.061 123.437 121.300 0.126 0.000 2.335 385 W HA -0.029 6.198 4.660 2.612 0.000 0.311 385 W C 2.390 179.043 176.519 0.223 0.000 1.213 385 W CA 0.607 58.136 57.345 0.307 0.000 1.274 385 W CB -1.158 28.483 29.460 0.300 0.000 1.148 385 W HN 0.307 nan 8.180 nan 0.000 0.498 386 K N 0.148 120.740 120.400 0.320 0.000 2.057 386 K HA -0.199 5.689 4.320 2.612 0.000 0.207 386 K C 1.757 178.420 176.600 0.106 0.000 1.049 386 K CA 1.724 58.126 56.287 0.193 0.000 0.931 386 K CB -0.288 32.279 32.500 0.112 0.000 0.714 386 K HN -0.037 nan 8.250 nan 0.000 0.440 387 N N 0.251 118.927 118.700 -0.040 0.000 2.084 387 N HA -0.158 6.149 4.740 2.612 0.000 0.190 387 N C 1.487 176.869 175.510 -0.212 0.000 1.030 387 N CA 1.546 54.456 53.050 -0.233 0.000 0.849 387 N CB -0.483 37.691 38.487 -0.521 0.000 1.012 387 N HN 0.360 nan 8.380 nan 0.000 0.423 388 W N 1.353 122.698 121.300 0.074 0.000 2.418 388 W HA -0.034 6.193 4.660 2.612 0.000 0.292 388 W C 1.750 178.425 176.519 0.260 0.000 1.213 388 W CA 0.049 57.446 57.345 0.086 0.000 1.283 388 W CB -0.085 29.260 29.460 -0.192 0.000 1.119 388 W HN -0.008 nan 8.180 nan 0.000 0.542 389 D N -0.412 120.271 120.400 0.472 0.000 2.144 389 D HA -0.180 6.028 4.640 2.612 0.000 0.199 389 D C 2.187 178.637 176.300 0.249 0.000 0.984 389 D CA 1.686 55.898 54.000 0.353 0.000 0.834 389 D CB -0.757 40.215 40.800 0.285 0.000 0.955 389 D HN -0.010 nan 8.370 nan 0.000 0.465 390 S N -0.584 115.248 115.700 0.220 0.000 2.368 390 S HA -0.220 5.818 4.470 2.612 0.000 0.224 390 S C 1.957 176.686 174.600 0.214 0.000 1.029 390 S CA 1.480 59.781 58.200 0.169 0.000 0.988 390 S CB -0.258 63.019 63.200 0.127 0.000 0.838 390 S HN 0.381 nan 8.310 nan 0.000 0.462 391 H N 1.224 120.418 119.070 0.206 0.000 2.289 391 H HA -0.024 6.099 4.556 2.612 0.000 0.296 391 H C 1.889 177.361 175.328 0.240 0.000 1.091 391 H CA 2.354 58.574 56.048 0.287 0.000 1.274 391 H CB -0.569 29.470 29.762 0.462 0.000 1.364 391 H HN 0.389 nan 8.280 nan 0.000 0.490 392 L N -0.729 120.548 121.223 0.089 0.000 2.072 392 L HA -0.117 5.791 4.340 2.612 0.000 0.205 392 L C 2.688 179.543 176.870 -0.024 0.000 1.079 392 L CA 1.300 56.109 54.840 -0.051 0.000 0.752 392 L CB -0.469 41.631 42.059 0.070 0.000 0.906 392 L HN 0.259 nan 8.230 nan 0.000 0.436 393 S N -0.363 115.363 115.700 0.043 0.000 2.419 393 S HA -0.150 5.887 4.470 2.612 0.000 0.233 393 S C 2.125 176.735 174.600 0.016 0.000 1.016 393 S CA 1.477 59.697 58.200 0.034 0.000 0.974 393 S CB -0.171 63.065 63.200 0.060 0.000 0.786 393 S HN 0.610 nan 8.310 nan 0.000 0.492 394 S N 0.721 116.431 115.700 0.018 0.000 2.496 394 S HA 0.167 6.204 4.470 2.612 0.000 0.224 394 S C 0.604 175.199 174.600 -0.009 0.000 0.996 394 S CA -0.175 58.034 58.200 0.016 0.000 0.927 394 S CB -0.581 62.645 63.200 0.043 0.000 0.774 394 S HN 0.388 nan 8.310 nan 0.000 0.524 395 I N 2.232 122.776 120.570 -0.043 0.000 2.741 395 I HA -0.027 5.711 4.170 2.612 0.000 0.288 395 I C 0.681 176.779 176.117 -0.032 0.000 1.192 395 I CA -0.335 60.935 61.300 -0.050 0.000 1.426 395 I CB 0.147 38.097 38.000 -0.084 0.000 1.367 395 I HN 0.315 nan 8.210 nan 0.000 0.563 396 c N 8.059 126.645 118.600 -0.024 0.000 2.383 396 c HA 0.275 6.413 4.570 2.612 0.000 0.350 396 c C 1.149 175.219 174.090 -0.033 0.000 1.173 396 c CA -0.571 55.745 56.329 -0.023 0.000 1.645 396 c CB -1.408 41.092 42.510 -0.016 0.000 2.221 396 c HN 0.868 nan 8.230 nan 0.000 0.528 397 T N 4.819 119.349 114.554 -0.039 0.000 2.868 397 T HA 0.403 6.321 4.350 2.612 0.000 0.292 397 T C -2.636 172.032 174.700 -0.053 0.000 1.028 397 T CA -1.406 60.662 62.100 -0.053 0.000 1.059 397 T CB 0.732 69.566 68.868 -0.058 0.000 0.991 397 T HN 0.531 nan 8.240 nan 0.000 0.531 398 P HA 0.279 nan 4.420 nan 0.000 0.262 398 P C 0.210 177.479 177.300 -0.052 0.000 1.199 398 P CA -0.003 63.057 63.100 -0.066 0.000 0.763 398 P CB -0.072 31.569 31.700 -0.097 0.000 0.790 410 c N 1.481 120.072 118.600 -0.016 0.000 2.561 410 c HA 0.855 6.993 4.570 2.612 0.000 0.319 410 c C 1.184 175.261 174.090 -0.022 0.000 1.198 410 c CA 0.200 56.517 56.329 -0.020 0.000 1.665 410 c CB 0.880 43.380 42.510 -0.017 0.000 2.258 410 c HN 0.952 nan 8.230 nan 0.000 0.493 411 G N 1.918 110.701 108.800 -0.028 0.000 2.509 411 G HA2 0.571 6.098 3.960 2.612 0.000 0.269 411 G HA3 0.571 6.098 3.960 2.612 0.000 0.269 411 G C -2.736 172.147 174.900 -0.028 0.000 1.416 411 G CA -0.541 44.542 45.100 -0.029 0.000 1.052 411 G HN 0.554 nan 8.290 nan 0.000 0.542 412 P HA 0.351 nan 4.420 nan 0.000 0.269 412 P C -0.207 177.074 177.300 -0.031 0.000 1.215 412 P CA -0.102 62.981 63.100 -0.029 0.000 0.780 412 P CB 0.661 32.341 31.700 -0.033 0.000 0.898 413 A N 2.555 125.359 122.820 -0.025 0.000 2.425 413 A HA 0.238 6.125 4.320 2.612 0.000 0.249 413 A C 0.095 177.664 177.584 -0.025 0.000 1.084 413 A CA -0.427 51.597 52.037 -0.022 0.000 0.781 413 A CB -0.189 18.804 19.000 -0.011 0.000 1.019 413 A HN 0.408 nan 8.150 nan 0.000 0.490 414 V N 2.284 122.183 119.914 -0.024 0.000 2.644 414 V HA 0.049 5.737 4.120 2.612 0.000 0.305 414 V C 1.300 177.398 176.094 0.007 0.000 1.053 414 V CA 0.770 63.061 62.300 -0.015 0.000 1.186 414 V CB 0.712 32.525 31.823 -0.018 0.000 0.895 414 V HN 0.955 nan 8.190 nan 0.000 0.490 415 T N 3.482 118.043 114.554 0.012 0.000 2.794 415 T HA 0.229 6.146 4.350 2.612 0.000 0.296 415 T C 1.033 175.817 174.700 0.140 0.000 0.949 415 T CA 0.122 62.244 62.100 0.037 0.000 1.101 415 T CB 0.689 69.538 68.868 -0.032 0.000 0.905 415 T HN 1.045 nan 8.240 nan 0.000 0.516 416 T N 1.844 116.455 114.554 0.096 0.000 3.069 416 T HA 0.220 6.137 4.350 2.612 0.000 0.252 416 T C 0.505 175.230 174.700 0.042 0.000 1.053 416 T CA -0.282 61.861 62.100 0.071 0.000 0.964 416 T CB -0.035 68.866 68.868 0.056 0.000 1.005 416 T HN 0.367 nan 8.240 nan 0.000 0.532 417 V N 2.430 122.386 119.914 0.069 0.000 2.421 417 V HA 0.514 6.201 4.120 2.612 0.000 0.271 417 V C 1.619 177.747 176.094 0.057 0.000 1.031 417 V CA 0.740 63.057 62.300 0.029 0.000 1.032 417 V CB -0.403 31.424 31.823 0.007 0.000 1.009 417 V HN 0.811 nan 8.190 nan 0.000 0.477 418 G N 4.458 113.236 108.800 -0.036 0.000 2.159 418 G HA2 -0.228 5.299 3.960 2.612 0.000 0.256 418 G HA3 -0.228 5.299 3.960 2.612 0.000 0.256 418 G C -0.073 174.711 174.900 -0.192 0.000 0.977 418 G CA 0.090 45.133 45.100 -0.096 0.000 0.652 418 G HN 0.767 nan 8.290 nan 0.000 0.531 419 L N 1.628 122.666 121.223 -0.310 0.000 2.485 419 L HA 0.567 6.474 4.340 2.612 0.000 0.279 419 L C 1.378 177.822 176.870 -0.710 0.000 1.124 419 L CA 0.435 54.833 54.840 -0.737 0.000 0.888 419 L CB 1.189 42.832 42.059 -0.694 0.000 1.217 419 L HN 0.023 nan 8.230 nan 0.000 0.464 420 V N 4.311 123.853 119.914 -0.621 0.000 2.795 420 V HA 0.405 6.092 4.120 2.612 0.000 0.243 420 V C 1.073 176.992 176.094 -0.292 0.000 1.069 420 V CA 0.858 62.873 62.300 -0.475 0.000 1.089 420 V CB -0.014 31.582 31.823 -0.378 0.000 0.756 420 V HN 0.858 nan 8.190 nan 0.000 0.471 421 G N -1.103 107.606 108.800 -0.151 0.000 2.667 421 G HA2 0.624 6.151 3.960 2.612 0.000 0.298 421 G HA3 0.624 6.151 3.960 2.612 0.000 0.298 421 G C -1.872 173.321 174.900 0.489 0.000 1.377 421 G CA -0.378 44.919 45.100 0.327 0.000 0.964 421 G HN 0.023 nan 8.290 nan 0.000 0.493 422 F N 2.166 122.311 119.950 0.325 0.000 2.653 422 F HA 0.546 6.640 4.527 2.612 0.000 0.327 422 F C -1.330 174.331 175.800 -0.232 0.000 1.195 422 F CA -1.152 56.868 58.000 0.033 0.000 0.993 422 F CB 1.421 40.470 39.000 0.080 0.000 1.259 422 F HN 0.266 nan 8.300 nan 0.000 0.478 423 L N 6.210 127.159 121.223 -0.458 0.000 2.305 423 L HA 0.542 6.449 4.340 2.612 0.000 0.284 423 L C -0.089 176.321 176.870 -0.766 0.000 1.013 423 L CA -0.206 54.017 54.840 -1.028 0.000 0.819 423 L CB 1.544 42.390 42.059 -2.022 0.000 1.227 423 L HN 0.659 nan 8.230 nan 0.000 0.417 424 S N 0.120 115.510 115.700 -0.518 0.000 4.297 424 S HA 0.146 6.183 4.470 2.612 0.000 0.226 424 S C 0.984 175.626 174.600 0.071 0.000 1.134 424 S CA -0.022 58.007 58.200 -0.286 0.000 1.591 424 S CB 0.200 62.873 63.200 -0.878 0.000 1.393 424 S HN 0.801 nan 8.310 nan 0.000 0.727 425 H N 1.390 120.369 119.070 -0.151 0.000 2.389 425 H HA 0.363 6.486 4.556 2.612 0.000 0.299 425 H C 0.472 175.773 175.328 -0.045 0.000 1.081 425 H CA 1.794 57.799 56.048 -0.070 0.000 1.345 425 H CB -0.323 29.389 29.762 -0.083 0.000 1.393 425 H HN 0.232 nan 8.280 nan 0.000 0.520 426 S N 0.342 116.004 115.700 -0.063 0.000 2.531 426 S HA 0.552 6.589 4.470 2.612 0.000 0.279 426 S C -0.393 174.192 174.600 -0.025 0.000 1.305 426 S CA 0.054 58.218 58.200 -0.061 0.000 1.058 426 S CB 0.939 64.131 63.200 -0.013 0.000 0.899 426 S HN 0.615 nan 8.310 nan 0.000 0.493 427 A N 2.620 125.386 122.820 -0.091 0.000 2.608 427 A HA 0.794 6.681 4.320 2.612 0.000 0.292 427 A C -0.098 177.436 177.584 -0.083 0.000 1.066 427 A CA -0.843 51.150 52.037 -0.074 0.000 0.676 427 A CB 1.035 19.889 19.000 -0.244 0.000 1.277 427 A HN 0.730 nan 8.150 nan 0.000 0.413 428 T N -1.604 112.920 114.554 -0.050 0.000 2.804 428 T HA 0.530 6.447 4.350 2.612 0.000 0.272 428 T C 0.993 175.657 174.700 -0.060 0.000 0.986 428 T CA 0.004 62.078 62.100 -0.044 0.000 0.999 428 T CB 0.974 69.838 68.868 -0.006 0.000 1.307 428 T HN 0.627 nan 8.240 nan 0.000 0.586 429 K N 0.671 121.045 120.400 -0.043 0.000 2.152 429 K HA -0.052 5.835 4.320 2.612 0.000 0.206 429 K C 1.677 178.256 176.600 -0.034 0.000 1.048 429 K CA 2.295 58.554 56.287 -0.047 0.000 0.933 429 K CB -0.846 31.636 32.500 -0.030 0.000 0.721 429 K HN 0.866 nan 8.250 nan 0.000 0.447 430 T N -2.793 111.757 114.554 -0.007 0.000 3.275 430 T HA 0.347 6.264 4.350 2.612 0.000 0.298 430 T C -0.399 174.328 174.700 0.046 0.000 0.988 430 T CA -0.768 61.342 62.100 0.017 0.000 0.936 430 T CB 0.082 68.965 68.868 0.025 0.000 1.159 430 T HN 0.065 nan 8.240 nan 0.000 0.519 431 E N 0.321 120.547 120.200 0.044 0.000 2.340 431 E HA 0.359 6.277 4.350 2.612 0.000 0.273 431 E C -1.850 174.824 176.600 0.124 0.000 0.891 431 E CA -0.881 55.575 56.400 0.093 0.000 0.757 431 E CB 1.872 31.627 29.700 0.091 0.000 1.231 431 E HN 0.219 nan 8.360 nan 0.000 0.439 432 W N 3.144 124.409 121.300 -0.059 0.000 2.376 432 W HA 0.271 6.498 4.660 2.613 0.000 0.312 432 W C -0.485 175.960 176.519 -0.124 0.000 1.060 432 W CA -0.947 56.326 57.345 -0.119 0.000 1.221 432 W CB 0.725 30.095 29.460 -0.150 0.000 1.281 432 W HN 0.514 nan 8.180 nan 0.000 0.456 433 E N 2.963 123.278 120.200 0.192 0.000 2.283 433 E HA -0.003 5.914 4.350 2.612 0.000 0.278 433 E C -0.566 176.004 176.600 -0.051 0.000 1.027 433 E CA -0.445 55.992 56.400 0.062 0.000 0.843 433 E CB 1.118 30.855 29.700 0.062 0.000 1.062 433 E HN 0.187 nan 8.360 nan 0.000 0.401 434 D N 1.914 122.342 120.400 0.047 0.000 2.401 434 D HA 0.045 6.252 4.640 2.612 0.000 0.254 434 D C 0.634 176.965 176.300 0.053 0.000 1.192 434 D CA 0.064 54.132 54.000 0.114 0.000 0.885 434 D CB 1.229 42.242 40.800 0.354 0.000 1.147 434 D HN 0.495 nan 8.370 nan 0.000 0.478 435 A N 3.898 126.635 122.820 -0.138 0.000 2.019 435 A HA -0.199 5.688 4.320 2.612 0.000 0.219 435 A C 1.389 178.890 177.584 -0.137 0.000 1.164 435 A CA 1.129 52.924 52.037 -0.402 0.000 0.644 435 A CB -0.639 17.724 19.000 -1.061 0.000 0.805 435 A HN 0.743 nan 8.150 nan 0.000 0.449 436 Y N -1.609 118.859 120.300 0.280 0.000 2.466 436 Y HA 0.234 6.352 4.550 2.613 0.000 0.272 436 Y C 0.972 177.218 175.900 0.577 0.000 1.169 436 Y CA 0.360 58.743 58.100 0.473 0.000 1.285 436 Y CB 0.103 38.704 38.460 0.234 0.000 1.078 436 Y HN 0.335 nan 8.280 nan 0.000 0.523 437 R N -2.728 118.068 120.500 0.493 0.000 3.878 437 R HA -0.253 5.654 4.340 2.612 0.000 0.330 437 R C 0.605 177.257 176.300 0.586 0.000 1.186 437 R CA 0.745 57.117 56.100 0.454 0.000 0.885 437 R CB -2.548 27.957 30.300 0.342 0.000 1.377 437 R HN 0.438 nan 8.270 nan 0.000 0.523 438 C N -1.171 118.465 119.300 0.561 0.000 2.469 438 C HA 0.260 6.287 4.460 2.612 0.000 0.309 438 C C 0.864 176.035 174.990 0.300 0.000 1.385 438 C CA 0.318 59.630 59.018 0.490 0.000 1.890 438 C CB 0.709 28.745 27.740 0.492 0.000 2.245 438 C HN 0.243 nan 8.230 nan 0.000 0.530 439 V N 2.938 123.050 119.914 0.330 0.000 2.532 439 V HA 0.362 6.050 4.120 2.612 0.000 0.294 439 V C -1.288 175.093 176.094 0.478 0.000 1.036 439 V CA -0.487 61.974 62.300 0.268 0.000 0.876 439 V CB 1.303 33.112 31.823 -0.025 0.000 1.012 439 V HN 0.353 nan 8.190 nan 0.000 0.432 440 N N 2.407 121.299 118.700 0.320 0.000 2.463 440 N HA 0.730 7.037 4.740 2.612 0.000 0.270 440 N C 0.062 175.724 175.510 0.253 0.000 1.205 440 N CA -0.206 52.989 53.050 0.242 0.000 0.974 440 N CB 1.784 40.372 38.487 0.167 0.000 1.197 440 N HN 0.849 nan 8.380 nan 0.000 0.504 441 A N 0.040 122.897 122.820 0.062 0.000 2.312 441 A HA 0.525 6.413 4.320 2.612 0.000 0.326 441 A C 0.123 177.805 177.584 0.163 0.000 1.172 441 A CA -0.656 51.439 52.037 0.096 0.000 0.821 441 A CB 0.183 19.107 19.000 -0.127 0.000 1.166 441 A HN 0.646 nan 8.150 nan 0.000 0.493 442 S N 1.170 116.969 115.700 0.165 0.000 2.584 442 S HA 0.667 6.704 4.470 2.612 0.000 0.273 442 S C 0.183 174.876 174.600 0.154 0.000 1.311 442 S CA 0.171 58.452 58.200 0.134 0.000 1.034 442 S CB 0.979 64.238 63.200 0.099 0.000 0.939 442 S HN 1.424 nan 8.310 nan 0.000 0.513 443 T N -1.699 112.937 114.554 0.137 0.000 2.916 443 T HA 0.836 6.753 4.350 2.612 0.000 0.292 443 T C -0.639 174.137 174.700 0.126 0.000 1.055 443 T CA -0.810 61.394 62.100 0.173 0.000 1.009 443 T CB 1.531 70.501 68.868 0.171 0.000 1.118 443 T HN 1.325 nan 8.240 nan 0.000 0.497 444 A N 1.786 124.705 122.820 0.164 0.000 2.449 444 A HA 0.750 6.637 4.320 2.612 0.000 0.302 444 A C -0.015 177.668 177.584 0.165 0.000 1.048 444 A CA -1.004 51.105 52.037 0.120 0.000 0.708 444 A CB 0.636 19.689 19.000 0.088 0.000 1.274 444 A HN 0.988 nan 8.150 nan 0.000 0.410 445 N N -1.162 117.590 118.700 0.088 0.000 2.721 445 N HA -0.174 6.133 4.740 2.612 0.000 0.249 445 N C -0.119 175.414 175.510 0.037 0.000 1.072 445 N CA 1.333 54.426 53.050 0.071 0.000 0.710 445 N CB -1.365 37.184 38.487 0.102 0.000 0.993 445 N HN 1.379 nan 8.380 nan 0.000 0.547 446 A N 0.013 122.792 122.820 -0.069 0.000 2.317 446 A HA 0.573 6.460 4.320 2.612 0.000 0.327 446 A C 0.201 177.590 177.584 -0.324 0.000 1.178 446 A CA -0.622 51.210 52.037 -0.342 0.000 0.817 446 A CB 1.225 19.938 19.000 -0.477 0.000 1.189 446 A HN 0.249 nan 8.150 nan 0.000 0.489 447 E N 2.757 122.726 120.200 -0.384 0.000 2.151 447 E HA 0.333 6.250 4.350 2.612 0.000 0.275 447 E C -0.535 175.851 176.600 -0.358 0.000 0.936 447 E CA -0.681 55.547 56.400 -0.287 0.000 0.777 447 E CB 0.750 30.326 29.700 -0.207 0.000 1.108 447 E HN 0.652 nan 8.360 nan 0.000 0.401 448 R N 2.218 122.533 120.500 -0.307 0.000 2.489 448 R HA 0.159 6.067 4.340 2.612 0.000 0.287 448 R C 0.072 176.230 176.300 -0.237 0.000 1.053 448 R CA -0.012 55.893 56.100 -0.325 0.000 1.036 448 R CB 0.607 30.732 30.300 -0.291 0.000 0.966 448 R HN 0.415 nan 8.270 nan 0.000 0.432 449 V N 0.686 120.463 119.914 -0.228 0.000 3.141 449 V HA 0.554 6.241 4.120 2.612 0.000 0.312 449 V C -2.613 173.470 176.094 -0.018 0.000 1.157 449 V CA -3.279 58.959 62.300 -0.104 0.000 1.041 449 V CB 1.973 33.742 31.823 -0.091 0.000 1.071 449 V HN 0.523 nan 8.190 nan 0.000 0.441 450 P HA 0.184 nan 4.420 nan 0.000 0.261 450 P C -0.027 177.402 177.300 0.216 0.000 1.183 450 P CA 0.802 64.034 63.100 0.220 0.000 0.761 450 P CB -0.115 31.650 31.700 0.107 0.000 0.785 451 N N 1.209 120.147 118.700 0.396 0.000 2.708 451 N HA -0.177 6.131 4.740 2.612 0.000 0.251 451 N C 0.588 176.206 175.510 0.180 0.000 1.123 451 N CA 1.758 54.944 53.050 0.227 0.000 0.739 451 N CB -1.419 37.167 38.487 0.165 0.000 1.113 451 N HN 0.719 nan 8.380 nan 0.000 0.561 452 G N -1.454 107.381 108.800 0.058 0.000 2.441 452 G HA2 0.526 6.054 3.960 2.612 0.000 0.225 452 G HA3 0.526 6.054 3.960 2.612 0.000 0.225 452 G C -1.824 172.783 174.900 -0.487 0.000 1.200 452 G CA -0.598 44.479 45.100 -0.038 0.000 0.947 452 G HN 0.109 nan 8.290 nan 0.000 0.484 453 L N 0.144 120.961 121.223 -0.676 0.000 2.434 453 L HA 0.664 6.571 4.340 2.612 0.000 0.260 453 L C -0.610 175.806 176.870 -0.757 0.000 0.983 453 L CA -0.871 53.409 54.840 -0.934 0.000 0.820 453 L CB 2.748 43.856 42.059 -1.584 0.000 1.361 453 L HN 0.617 nan 8.230 nan 0.000 0.410 454 K N 1.872 121.856 120.400 -0.695 0.000 2.323 454 K HA 0.649 6.537 4.320 2.612 0.000 0.259 454 K C -1.728 174.605 176.600 -0.445 0.000 0.947 454 K CA -0.351 55.718 56.287 -0.364 0.000 0.819 454 K CB 1.171 33.565 32.500 -0.176 0.000 1.109 454 K HN 0.316 nan 8.250 nan 0.000 0.429 455 F N 1.865 121.808 119.950 -0.011 0.000 2.556 455 F HA 0.775 6.870 4.527 2.612 0.000 0.327 455 F C 0.111 175.930 175.800 0.032 0.000 1.059 455 F CA -0.686 57.309 58.000 -0.008 0.000 0.953 455 F CB 2.382 41.384 39.000 0.004 0.000 1.227 455 F HN 0.621 nan 8.300 nan 0.000 0.478 456 A N 0.826 123.779 122.820 0.222 0.000 2.608 456 A HA 0.766 6.653 4.320 2.612 0.000 0.292 456 A C -0.512 177.139 177.584 0.113 0.000 1.066 456 A CA -0.272 51.852 52.037 0.145 0.000 0.676 456 A CB 1.164 20.218 19.000 0.091 0.000 1.277 456 A HN 1.878 nan 8.150 nan 0.000 0.413 457 G N -0.853 108.001 108.800 0.090 0.000 2.692 457 G HA2 0.324 5.852 3.960 2.612 0.000 0.686 457 G HA3 0.324 5.852 3.960 2.612 0.000 0.686 457 G C -0.408 174.530 174.900 0.064 0.000 1.243 457 G CA -0.496 44.644 45.100 0.067 0.000 0.782 457 G HN 1.859 nan 8.290 nan 0.000 0.625 458 V N 2.222 122.167 119.914 0.051 0.000 2.557 458 V HA 0.398 6.086 4.120 2.612 0.000 0.301 458 V C 1.960 178.084 176.094 0.050 0.000 1.026 458 V CA 2.268 64.597 62.300 0.048 0.000 1.137 458 V CB 0.442 32.287 31.823 0.036 0.000 0.917 458 V HN 2.818 nan 8.190 nan 0.000 0.484 459 G N 3.637 112.472 108.800 0.058 0.000 2.213 459 G HA2 -0.141 5.386 3.960 2.612 0.000 0.236 459 G HA3 -0.141 5.386 3.960 2.612 0.000 0.236 459 G C 0.573 175.512 174.900 0.064 0.000 0.991 459 G CA -0.100 45.033 45.100 0.055 0.000 0.629 459 G HN 1.346 nan 8.290 nan 0.000 0.517 460 G N -0.190 108.653 108.800 0.072 0.000 2.569 460 G HA2 0.748 6.275 3.960 2.612 0.000 0.249 460 G HA3 0.748 6.275 3.960 2.612 0.000 0.249 460 G C 0.706 175.604 174.900 -0.004 0.000 1.216 460 G CA 1.197 46.355 45.100 0.096 0.000 0.845 460 G HN 1.919 nan 8.290 nan 0.000 0.568 461 G N -1.386 107.373 108.800 -0.069 0.000 2.334 461 G HA2 0.550 6.078 3.960 2.612 0.000 0.315 461 G HA3 0.550 6.078 3.960 2.612 0.000 0.315 461 G C -0.742 174.016 174.900 -0.236 0.000 1.284 461 G CA -0.028 44.749 45.100 -0.539 0.000 0.985 461 G HN 2.007 nan 8.290 nan 0.000 0.504 462 A N -0.903 121.802 122.820 -0.192 0.000 2.435 462 A HA 0.900 6.787 4.320 2.612 0.000 0.304 462 A C -0.909 176.784 177.584 0.182 0.000 1.064 462 A CA -0.292 51.829 52.037 0.139 0.000 0.727 462 A CB 1.903 21.119 19.000 0.361 0.000 1.284 462 A HN 2.027 nan 8.150 nan 0.000 0.415 463 L N 1.623 122.970 121.223 0.206 0.000 2.349 463 L HA 0.649 6.557 4.340 2.612 0.000 0.278 463 L C -1.798 175.278 176.870 0.344 0.000 0.996 463 L CA -0.460 54.529 54.840 0.249 0.000 0.825 463 L CB 1.181 43.283 42.059 0.073 0.000 1.243 463 L HN 0.796 nan 8.230 nan 0.000 0.412 464 W N 8.954 130.402 121.300 0.247 0.000 2.299 464 W HA 0.466 6.694 4.660 2.613 0.000 0.319 464 W C -2.356 174.312 176.519 0.247 0.000 1.008 464 W CA -2.868 54.634 57.345 0.262 0.000 1.384 464 W CB 0.946 30.606 29.460 0.334 0.000 1.220 464 W HN 0.305 nan 8.180 nan 0.000 0.402 465 P HA 0.055 nan 4.420 nan 0.000 0.271 465 P C 0.032 177.324 177.300 -0.013 0.000 1.216 465 P CA 0.350 63.531 63.100 0.135 0.000 0.776 465 P CB 2.346 34.090 31.700 0.073 0.000 0.881 466 V N 2.563 122.422 119.914 -0.092 0.000 4.255 466 V HA -0.044 5.643 4.120 2.612 0.000 0.186 466 V C 2.522 178.522 176.094 -0.156 0.000 1.068 466 V CA 1.387 63.562 62.300 -0.207 0.000 1.418 466 V CB -1.118 30.450 31.823 -0.424 0.000 1.876 466 V HN 0.622 nan 8.190 nan 0.000 0.469 467 S N -0.012 115.604 115.700 -0.140 0.000 2.419 467 S HA -0.267 5.771 4.470 2.612 0.000 0.233 467 S C 1.648 176.216 174.600 -0.053 0.000 1.016 467 S CA 1.775 59.925 58.200 -0.083 0.000 0.974 467 S CB -0.619 62.539 63.200 -0.071 0.000 0.786 467 S HN 0.612 nan 8.310 nan 0.000 0.492 468 Q N 0.636 120.415 119.800 -0.035 0.000 2.508 468 Q HA -0.045 5.862 4.340 2.612 0.000 0.214 468 Q C 2.113 178.100 176.000 -0.021 0.000 0.979 468 Q CA 0.820 56.614 55.803 -0.015 0.000 0.911 468 Q CB -0.286 28.454 28.738 0.004 0.000 0.969 468 Q HN 0.748 nan 8.270 nan 0.000 0.504 469 Q N -0.581 119.190 119.800 -0.048 0.000 2.291 469 Q HA -0.089 5.819 4.340 2.612 0.000 0.206 469 Q C 1.104 177.095 176.000 -0.016 0.000 0.976 469 Q CA 0.701 56.476 55.803 -0.047 0.000 0.875 469 Q CB 0.122 28.791 28.738 -0.115 0.000 0.927 469 Q HN 0.506 nan 8.270 nan 0.000 0.450 470 G N 0.630 109.418 108.800 -0.021 0.000 2.669 470 G HA2 -0.442 5.086 3.960 2.612 0.000 0.250 470 G HA3 -0.442 5.086 3.960 2.612 0.000 0.250 470 G C 0.435 175.335 174.900 -0.000 0.000 1.247 470 G CA 0.303 45.400 45.100 -0.005 0.000 0.958 470 G HN 0.344 nan 8.290 nan 0.000 0.559 471 Q N 0.770 120.593 119.800 0.038 0.000 2.079 471 Q HA 0.007 5.915 4.340 2.612 0.000 0.200 471 Q C 0.773 176.783 176.000 0.016 0.000 0.974 471 Q CA 1.726 57.562 55.803 0.054 0.000 0.840 471 Q CB -0.162 28.656 28.738 0.134 0.000 0.898 471 Q HN 0.625 nan 8.270 nan 0.000 0.430 472 N N 0.978 119.692 118.700 0.024 0.000 2.479 472 N HA 0.195 6.502 4.740 2.612 0.000 0.261 472 N C -1.630 173.777 175.510 -0.172 0.000 0.979 472 N CA -0.193 52.795 53.050 -0.102 0.000 0.930 472 N CB 1.542 40.044 38.487 0.025 0.000 1.172 472 N HN 0.089 nan 8.380 nan 0.000 0.499 473 Q N 1.910 121.546 119.800 -0.274 0.000 2.626 473 Q HA 0.219 6.127 4.340 2.612 0.000 0.239 473 Q C 0.469 176.301 176.000 -0.279 0.000 1.101 473 Q CA -0.294 55.375 55.803 -0.223 0.000 0.918 473 Q CB 0.831 29.486 28.738 -0.137 0.000 1.151 473 Q HN 0.486 nan 8.270 nan 0.000 0.531 474 R N 0.304 120.628 120.500 -0.294 0.000 2.193 474 R HA -0.112 5.796 4.340 2.612 0.000 0.229 474 R C 0.582 176.901 176.300 0.032 0.000 1.110 474 R CA 1.173 57.144 56.100 -0.216 0.000 0.988 474 R CB 0.167 30.355 30.300 -0.187 0.000 0.871 474 R HN 0.551 nan 8.270 nan 0.000 0.458 475 Y N -0.237 119.891 120.300 -0.285 0.000 2.756 475 Y HA 0.090 6.207 4.550 2.612 0.000 0.300 475 Y C 1.540 176.999 175.900 -0.736 0.000 1.113 475 Y CA -0.657 57.052 58.100 -0.653 0.000 1.291 475 Y CB 0.232 38.319 38.460 -0.622 0.000 1.175 475 Y HN 0.188 nan 8.280 nan 0.000 0.534 476 H N 0.749 119.630 119.070 -0.316 0.000 2.563 476 H HA -0.102 6.022 4.556 2.612 0.000 0.272 476 H C 1.343 176.616 175.328 -0.091 0.000 1.005 476 H CA 0.692 56.606 56.048 -0.224 0.000 1.171 476 H CB -0.025 29.640 29.762 -0.162 0.000 1.351 476 H HN 0.621 nan 8.280 nan 0.000 0.602 477 F N -1.222 118.777 119.950 0.082 0.000 2.416 477 F HA 0.262 6.357 4.527 2.612 0.000 0.296 477 F C 2.431 178.293 175.800 0.103 0.000 1.099 477 F CA 0.464 58.527 58.000 0.106 0.000 1.427 477 F CB -0.502 38.514 39.000 0.028 0.000 1.079 477 F HN 0.050 nan 8.300 nan 0.000 0.536 478 A N 1.547 124.095 122.820 -0.453 0.000 2.019 478 A HA -0.190 5.698 4.320 2.612 0.000 0.219 478 A C 1.913 179.507 177.584 0.017 0.000 1.164 478 A CA 1.678 53.651 52.037 -0.105 0.000 0.644 478 A CB -0.971 17.741 19.000 -0.481 0.000 0.805 478 A HN 0.516 nan 8.150 nan 0.000 0.449 479 N N -0.551 118.003 118.700 -0.243 0.000 2.443 479 N HA -0.121 6.186 4.740 2.612 0.000 0.184 479 N C 1.125 176.362 175.510 -0.455 0.000 1.037 479 N CA 1.258 54.074 53.050 -0.390 0.000 0.896 479 N CB -0.301 37.787 38.487 -0.665 0.000 0.959 479 N HN 0.703 nan 8.380 nan 0.000 0.442 480 H N -0.769 118.321 119.070 0.033 0.000 2.481 480 H HA 0.477 6.601 4.556 2.612 0.000 0.291 480 H C 0.424 175.805 175.328 0.089 0.000 1.009 480 H CA 0.501 56.585 56.048 0.060 0.000 1.282 480 H CB 0.986 30.787 29.762 0.065 0.000 1.457 480 H HN 0.071 nan 8.280 nan 0.000 0.525 481 A N 0.696 123.689 122.820 0.287 0.000 2.577 481 A HA 0.496 6.384 4.320 2.612 0.000 0.297 481 A C -1.726 176.071 177.584 0.354 0.000 1.060 481 A CA -0.615 51.534 52.037 0.187 0.000 0.697 481 A CB 1.057 20.119 19.000 0.105 0.000 1.281 481 A HN 0.230 nan 8.150 nan 0.000 0.402 482 F N -1.255 118.772 119.950 0.128 0.000 2.741 482 F HA 0.864 6.958 4.527 2.612 0.000 0.311 482 F C -0.781 175.052 175.800 0.055 0.000 1.149 482 F CA -0.656 57.429 58.000 0.143 0.000 0.930 482 F CB 1.296 40.419 39.000 0.205 0.000 1.312 482 F HN 0.438 nan 8.300 nan 0.000 0.450 483 T N 2.996 117.685 114.554 0.225 0.000 2.848 483 T HA 0.647 6.564 4.350 2.612 0.000 0.285 483 T C -1.809 173.044 174.700 0.255 0.000 0.995 483 T CA -0.406 61.764 62.100 0.116 0.000 0.970 483 T CB 1.588 70.447 68.868 -0.015 0.000 0.976 483 T HN 0.789 nan 8.240 nan 0.000 0.441 484 L N 4.669 126.012 121.223 0.200 0.000 2.356 484 L HA 0.827 6.735 4.340 2.612 0.000 0.277 484 L C -1.305 175.566 176.870 0.002 0.000 0.996 484 L CA -0.514 54.346 54.840 0.034 0.000 0.822 484 L CB 1.484 43.473 42.059 -0.116 0.000 1.256 484 L HN 0.480 nan 8.230 nan 0.000 0.413 485 V N 4.034 123.945 119.914 -0.004 0.000 2.735 485 V HA 1.022 6.710 4.120 2.612 0.000 0.310 485 V C -0.240 175.817 176.094 -0.062 0.000 1.061 485 V CA -0.095 62.169 62.300 -0.061 0.000 0.913 485 V CB 1.343 33.181 31.823 0.026 0.000 1.005 485 V HN 1.039 nan 8.190 nan 0.000 0.428 486 A N 2.528 125.269 122.820 -0.132 0.000 2.610 486 A HA 0.859 6.747 4.320 2.612 0.000 0.291 486 A C -0.829 176.744 177.584 -0.020 0.000 1.086 486 A CA -0.572 51.451 52.037 -0.024 0.000 0.677 486 A CB 1.886 20.888 19.000 0.004 0.000 1.278 486 A HN 0.652 nan 8.150 nan 0.000 0.414 487 S N 0.053 115.820 115.700 0.112 0.000 2.451 487 S HA 0.673 6.710 4.470 2.612 0.000 0.301 487 S C -0.244 174.440 174.600 0.140 0.000 1.116 487 S CA -0.276 58.021 58.200 0.162 0.000 1.093 487 S CB 1.196 64.525 63.200 0.215 0.000 1.017 487 S HN 1.777 nan 8.310 nan 0.000 0.482 488 V N 0.868 120.861 119.914 0.131 0.000 2.823 488 V HA 0.892 6.579 4.120 2.612 0.000 0.312 488 V C -0.564 175.581 176.094 0.084 0.000 1.072 488 V CA -0.473 61.883 62.300 0.092 0.000 0.937 488 V CB 1.896 33.744 31.823 0.042 0.000 1.013 488 V HN 0.687 nan 8.190 nan 0.000 0.430 489 T N 5.176 119.709 114.554 -0.035 0.000 2.881 489 T HA 0.660 6.577 4.350 2.612 0.000 0.290 489 T C -0.502 173.935 174.700 -0.438 0.000 1.000 489 T CA -0.150 61.863 62.100 -0.145 0.000 0.978 489 T CB 1.351 70.148 68.868 -0.118 0.000 0.997 489 T HN 0.698 nan 8.240 nan 0.000 0.443 490 I N 3.290 123.616 120.570 -0.406 0.000 2.336 490 I HA 0.307 6.045 4.170 2.612 0.000 0.292 490 I C 0.829 176.740 176.117 -0.343 0.000 0.991 490 I CA -0.665 60.318 61.300 -0.529 0.000 1.227 490 I CB 1.076 38.612 38.000 -0.773 0.000 1.366 490 I HN 0.758 nan 8.210 nan 0.000 0.466 491 H N 4.387 123.460 119.070 0.006 0.000 2.652 491 H HA 0.397 6.521 4.556 2.612 0.000 0.274 491 H C -0.292 175.094 175.328 0.097 0.000 1.021 491 H CA 0.210 56.296 56.048 0.063 0.000 1.187 491 H CB 0.792 30.584 29.762 0.050 0.000 1.505 491 H HN 0.569 nan 8.280 nan 0.000 0.530 492 E N 0.537 120.858 120.200 0.201 0.000 2.354 492 E HA 0.250 6.167 4.350 2.612 0.000 0.283 492 E C -1.058 175.685 176.600 0.239 0.000 0.938 492 E CA -0.506 56.016 56.400 0.203 0.000 0.777 492 E CB 3.333 33.137 29.700 0.173 0.000 1.222 492 E HN -0.164 nan 8.360 nan 0.000 0.423 493 V N 4.562 124.616 119.914 0.232 0.000 2.521 493 V HA 0.160 5.847 4.120 2.612 0.000 0.286 493 V C -1.706 174.491 176.094 0.171 0.000 1.034 493 V CA -0.833 61.604 62.300 0.228 0.000 1.045 493 V CB 0.048 31.933 31.823 0.102 0.000 0.974 493 V HN 0.560 nan 8.190 nan 0.000 0.480 494 P HA 0.309 nan 4.420 nan 0.000 0.276 494 P C 0.202 177.514 177.300 0.020 0.000 1.252 494 P CA -0.628 62.507 63.100 0.059 0.000 0.802 494 P CB 1.262 32.909 31.700 -0.089 0.000 1.035 495 K N -0.294 120.108 120.400 0.004 0.000 2.296 495 K HA 0.177 6.064 4.320 2.612 0.000 0.200 495 K C 1.199 177.790 176.600 -0.015 0.000 1.048 495 K CA 0.859 57.147 56.287 0.002 0.000 0.966 495 K CB -0.056 32.448 32.500 0.007 0.000 0.754 495 K HN 0.681 nan 8.250 nan 0.000 0.466 496 G N -0.164 108.611 108.800 -0.042 0.000 2.663 496 G HA2 0.506 6.034 3.960 2.612 0.000 0.299 496 G HA3 0.506 6.034 3.960 2.612 0.000 0.299 496 G C -1.664 173.171 174.900 -0.109 0.000 1.372 496 G CA -0.582 44.488 45.100 -0.051 0.000 0.781 496 G HN 0.088 nan 8.290 nan 0.000 0.491 497 A N -0.153 122.611 122.820 -0.095 0.000 2.546 497 A HA 0.573 6.460 4.320 2.612 0.000 0.243 497 A C 0.474 177.929 177.584 -0.216 0.000 1.063 497 A CA 0.697 52.646 52.037 -0.147 0.000 0.757 497 A CB -0.142 18.822 19.000 -0.060 0.000 0.991 497 A HN 1.200 nan 8.150 nan 0.000 0.503 498 S N 3.715 119.153 115.700 -0.438 0.000 2.541 498 S HA 0.702 6.739 4.470 2.612 0.000 0.280 498 S C -2.904 171.454 174.600 -0.403 0.000 1.112 498 S CA -0.956 56.966 58.200 -0.464 0.000 0.925 498 S CB 2.157 64.954 63.200 -0.673 0.000 1.067 498 S HN 0.685 nan 8.310 nan 0.000 0.479 499 P HA 0.373 nan 4.420 nan 0.000 0.278 499 P C -0.283 177.044 177.300 0.045 0.000 1.238 499 P CA -0.432 62.548 63.100 -0.201 0.000 0.794 499 P CB 1.077 32.320 31.700 -0.761 0.000 0.955 500 L N 1.005 122.319 121.223 0.151 0.000 2.600 500 L HA 0.363 6.271 4.340 2.612 0.000 0.213 500 L C 0.352 177.255 176.870 0.054 0.000 1.045 500 L CA 0.314 55.223 54.840 0.115 0.000 0.863 500 L CB 0.295 42.413 42.059 0.099 0.000 1.189 500 L HN 0.252 nan 8.230 nan 0.000 0.484 501 L N -0.720 120.515 121.223 0.020 0.000 2.643 501 L HA 0.735 6.642 4.340 2.612 0.000 0.256 501 L C -1.036 175.550 176.870 -0.475 0.000 0.931 501 L CA 0.065 54.783 54.840 -0.204 0.000 0.895 501 L CB 1.921 43.907 42.059 -0.122 0.000 1.430 501 L HN 0.018 nan 8.230 nan 0.000 0.419 502 G N 2.128 110.359 108.800 -0.948 0.000 2.356 502 G HA2 0.715 6.242 3.960 2.612 0.000 0.294 502 G HA3 0.715 6.242 3.960 2.612 0.000 0.294 502 G C -2.123 172.454 174.900 -0.539 0.000 1.423 502 G CA -0.118 44.524 45.100 -0.764 0.000 0.806 502 G HN 0.988 nan 8.290 nan 0.000 0.527 503 A N 0.005 122.754 122.820 -0.119 0.000 2.273 503 A HA 0.813 6.701 4.320 2.612 0.000 0.315 503 A C 0.125 177.660 177.584 -0.082 0.000 1.256 503 A CA 0.040 51.988 52.037 -0.148 0.000 0.851 503 A CB 1.331 20.257 19.000 -0.124 0.000 1.172 503 A HN 1.644 nan 8.150 nan 0.000 0.508 504 S N 2.061 117.636 115.700 -0.208 0.000 2.508 504 S HA 0.516 6.554 4.470 2.612 0.000 0.284 504 S C 0.760 175.209 174.600 -0.252 0.000 1.192 504 S CA -0.658 57.431 58.200 -0.185 0.000 1.070 504 S CB 0.436 63.380 63.200 -0.426 0.000 1.004 504 S HN 0.593 nan 8.310 nan 0.000 0.493 505 L N 2.605 123.747 121.223 -0.134 0.000 2.477 505 L HA 0.242 6.149 4.340 2.612 0.000 0.220 505 L C 0.355 177.177 176.870 -0.080 0.000 1.106 505 L CA 0.103 54.875 54.840 -0.113 0.000 0.851 505 L CB -0.195 41.819 42.059 -0.074 0.000 0.994 505 L HN 0.671 nan 8.230 nan 0.000 0.462 506 D N -2.611 117.754 120.400 -0.059 0.000 2.553 506 D HA 0.124 6.331 4.640 2.612 0.000 0.249 506 D C 0.898 177.238 176.300 0.067 0.000 1.062 506 D CA -0.058 53.933 54.000 -0.014 0.000 1.085 506 D CB 0.795 41.576 40.800 -0.031 0.000 1.350 506 D HN -0.131 nan 8.370 nan 0.000 0.575 507 S N -0.640 115.096 115.700 0.061 0.000 2.402 507 S HA -0.160 5.877 4.470 2.612 0.000 0.229 507 S C 1.735 176.398 174.600 0.105 0.000 1.021 507 S CA 1.313 59.572 58.200 0.098 0.000 0.974 507 S CB -0.843 62.365 63.200 0.013 0.000 0.800 507 S HN 0.585 nan 8.310 nan 0.000 0.484 508 S N 0.666 116.371 115.700 0.008 0.000 2.446 508 S HA 0.426 6.464 4.470 2.612 0.000 0.225 508 S C 1.790 176.280 174.600 -0.184 0.000 1.016 508 S CA 0.667 58.809 58.200 -0.097 0.000 0.943 508 S CB -0.640 62.458 63.200 -0.170 0.000 0.786 508 S HN 1.470 nan 8.310 nan 0.000 0.508 509 G N 0.191 108.916 108.800 -0.125 0.000 2.179 509 G HA2 -0.152 5.375 3.960 2.612 0.000 0.220 509 G HA3 -0.152 5.375 3.960 2.612 0.000 0.220 509 G C 0.921 175.625 174.900 -0.328 0.000 0.990 509 G CA 0.142 45.094 45.100 -0.247 0.000 0.646 509 G HN 0.947 nan 8.290 nan 0.000 0.517 510 G N -0.052 108.574 108.800 -0.289 0.000 2.422 510 G HA2 0.134 5.662 3.960 2.612 0.000 0.218 510 G HA3 0.134 5.662 3.960 2.612 0.000 0.218 510 G C 0.755 175.597 174.900 -0.096 0.000 1.140 510 G CA 1.288 46.264 45.100 -0.205 0.000 0.775 510 G HN 0.594 nan 8.290 nan 0.000 0.545 511 K N 0.829 121.186 120.400 -0.071 0.000 2.293 511 K HA 0.409 6.296 4.320 2.612 0.000 0.267 511 K C -0.700 175.892 176.600 -0.013 0.000 1.010 511 K CA -0.460 55.807 56.287 -0.035 0.000 0.875 511 K CB 0.645 33.123 32.500 -0.037 0.000 1.106 511 K HN -0.007 nan 8.250 nan 0.000 0.450 512 K N 3.686 124.100 120.400 0.022 0.000 2.156 512 K HA 0.197 6.084 4.320 2.612 0.000 0.254 512 K C 0.528 177.155 176.600 0.046 0.000 0.950 512 K CA -0.695 55.632 56.287 0.066 0.000 0.849 512 K CB 1.729 34.306 32.500 0.130 0.000 1.100 512 K HN 0.338 nan 8.250 nan 0.000 0.434 513 L N 2.596 123.846 121.223 0.045 0.000 2.102 513 L HA 0.252 6.159 4.340 2.612 0.000 0.202 513 L C -0.389 176.536 176.870 0.090 0.000 1.076 513 L CA 1.404 56.279 54.840 0.057 0.000 0.761 513 L CB 0.216 42.308 42.059 0.055 0.000 0.921 513 L HN 0.574 nan 8.230 nan 0.000 0.444 514 L N -0.608 120.680 121.223 0.108 0.000 2.611 514 L HA 0.728 6.636 4.340 2.612 0.000 0.260 514 L C -0.739 176.165 176.870 0.058 0.000 0.924 514 L CA 0.489 55.374 54.840 0.075 0.000 0.901 514 L CB 1.440 43.579 42.059 0.132 0.000 1.369 514 L HN 0.142 nan 8.230 nan 0.000 0.415 515 G N 2.844 111.629 108.800 -0.025 0.000 2.608 515 G HA2 0.601 6.129 3.960 2.612 0.000 0.291 515 G HA3 0.601 6.129 3.960 2.612 0.000 0.291 515 G C -2.632 172.230 174.900 -0.063 0.000 1.425 515 G CA -0.660 44.439 45.100 -0.001 0.000 0.787 515 G HN 0.793 nan 8.290 nan 0.000 0.484 516 L N 0.461 121.676 121.223 -0.013 0.000 2.381 516 L HA 0.849 6.756 4.340 2.612 0.000 0.274 516 L C -0.184 176.746 176.870 0.100 0.000 0.988 516 L CA -0.224 54.609 54.840 -0.011 0.000 0.824 516 L CB 1.913 43.915 42.059 -0.096 0.000 1.263 516 L HN 0.562 nan 8.230 nan 0.000 0.410 517 S N 2.658 118.438 115.700 0.134 0.000 2.715 517 S HA 0.811 6.849 4.470 2.612 0.000 0.307 517 S C -1.547 173.219 174.600 0.277 0.000 1.119 517 S CA -0.338 57.949 58.200 0.145 0.000 0.937 517 S CB 1.667 64.890 63.200 0.038 0.000 1.150 517 S HN 0.586 nan 8.310 nan 0.000 0.521 518 Y N -0.320 120.005 120.300 0.042 0.000 2.562 518 Y HA 0.802 6.920 4.550 2.612 0.000 0.345 518 Y C -1.118 174.823 175.900 0.069 0.000 1.045 518 Y CA -1.200 56.903 58.100 0.006 0.000 1.028 518 Y CB 0.951 39.139 38.460 -0.454 0.000 1.297 518 Y HN 0.665 nan 8.280 nan 0.000 0.463 519 D N 0.342 120.873 120.400 0.219 0.000 2.585 519 D HA 0.232 6.439 4.640 2.612 0.000 0.254 519 D C 0.295 176.665 176.300 0.115 0.000 1.067 519 D CA -0.979 53.063 54.000 0.071 0.000 1.090 519 D CB 1.499 42.328 40.800 0.049 0.000 1.408 519 D HN 0.736 nan 8.370 nan 0.000 0.554 520 K N -0.458 119.950 120.400 0.014 0.000 2.283 520 K HA -0.021 5.867 4.320 2.612 0.000 0.202 520 K C 0.941 177.499 176.600 -0.071 0.000 1.048 520 K CA 0.665 56.939 56.287 -0.020 0.000 0.948 520 K CB -0.033 32.462 32.500 -0.008 0.000 0.742 520 K HN 0.232 nan 8.250 nan 0.000 0.458 521 R N 0.511 120.979 120.500 -0.054 0.000 2.391 521 R HA 0.124 6.031 4.340 2.612 0.000 0.249 521 R C -0.477 175.747 176.300 -0.126 0.000 0.957 521 R CA -0.076 55.995 56.100 -0.048 0.000 1.093 521 R CB -0.244 30.041 30.300 -0.025 0.000 1.156 521 R HN 0.358 nan 8.270 nan 0.000 0.526 522 H N -0.432 118.398 119.070 -0.400 0.000 2.862 522 H HA -0.183 5.941 4.556 2.612 0.000 0.290 522 H C -0.429 174.320 175.328 -0.966 0.000 1.211 522 H CA 0.832 56.204 56.048 -1.128 0.000 1.140 522 H CB -1.128 27.998 29.762 -1.058 0.000 1.341 522 H HN 0.458 nan 8.280 nan 0.000 0.392 523 Q N -0.681 118.982 119.800 -0.229 0.000 2.297 523 Q HA 0.309 6.216 4.340 2.612 0.000 0.269 523 Q C -0.004 176.123 176.000 0.212 0.000 1.051 523 Q CA -0.749 55.016 55.803 -0.063 0.000 0.869 523 Q CB 1.443 30.193 28.738 0.020 0.000 1.346 523 Q HN 0.187 nan 8.270 nan 0.000 0.457 524 W N 0.980 122.471 121.300 0.320 0.000 2.313 524 W HA 0.257 6.485 4.660 2.613 0.000 0.328 524 W C 0.172 176.760 176.519 0.116 0.000 1.197 524 W CA -0.378 57.090 57.345 0.205 0.000 1.235 524 W CB 0.859 30.380 29.460 0.101 0.000 1.158 524 W HN 0.286 nan 8.180 nan 0.000 0.578 525 Q N 4.108 124.114 119.800 0.344 0.000 2.607 525 Q HA 0.201 6.109 4.340 2.612 0.000 0.247 525 Q C -2.285 173.768 176.000 0.089 0.000 1.033 525 Q CA -1.900 54.009 55.803 0.177 0.000 0.769 525 Q CB 1.406 30.217 28.738 0.121 0.000 1.169 525 Q HN 0.034 nan 8.270 nan 0.000 0.508 526 P HA 0.169 nan 4.420 nan 0.000 0.275 526 P C -0.504 176.596 177.300 -0.335 0.000 1.227 526 P CA 0.029 62.997 63.100 -0.221 0.000 0.781 526 P CB 1.112 32.651 31.700 -0.269 0.000 0.906 527 I N 3.823 124.142 120.570 -0.418 0.000 2.382 527 I HA 0.270 6.008 4.170 2.612 0.000 0.286 527 I C -0.387 175.510 176.117 -0.366 0.000 1.002 527 I CA -0.805 60.342 61.300 -0.254 0.000 1.135 527 I CB 0.974 38.942 38.000 -0.054 0.000 1.288 527 I HN 0.252 nan 8.210 nan 0.000 0.448 528 Y N 5.236 125.554 120.300 0.032 0.000 2.491 528 Y HA 0.550 6.668 4.550 2.612 0.000 0.334 528 Y C 1.214 177.125 175.900 0.019 0.000 0.969 528 Y CA -0.282 57.829 58.100 0.018 0.000 1.241 528 Y CB 1.092 39.551 38.460 -0.001 0.000 1.105 528 Y HN 0.882 nan 8.280 nan 0.000 0.503 529 G N 1.899 110.776 108.800 0.129 0.000 2.651 529 G HA2 -0.402 5.125 3.960 2.612 0.000 0.315 529 G HA3 -0.402 5.125 3.960 2.612 0.000 0.315 529 G C 1.087 176.027 174.900 0.065 0.000 1.258 529 G CA 0.809 45.958 45.100 0.081 0.000 1.002 529 G HN 0.931 nan 8.290 nan 0.000 0.551 530 S N -0.636 115.095 115.700 0.053 0.000 2.572 530 S HA 0.437 6.474 4.470 2.612 0.000 0.228 530 S C 0.810 175.440 174.600 0.048 0.000 0.963 530 S CA 1.067 59.291 58.200 0.040 0.000 0.939 530 S CB 0.262 63.475 63.200 0.022 0.000 0.804 530 S HN 0.880 nan 8.310 nan 0.000 0.480 531 T N 5.244 119.842 114.554 0.073 0.000 2.940 531 T HA 0.265 6.182 4.350 2.612 0.000 0.309 531 T C -2.421 172.327 174.700 0.079 0.000 1.056 531 T CA -0.487 61.658 62.100 0.076 0.000 1.137 531 T CB 0.196 69.127 68.868 0.104 0.000 0.976 531 T HN 0.228 nan 8.240 nan 0.000 0.547 532 P HA 0.152 nan 4.420 nan 0.000 0.266 532 P C -0.717 176.630 177.300 0.078 0.000 1.195 532 P CA -0.343 62.790 63.100 0.055 0.000 0.768 532 P CB 0.315 32.038 31.700 0.039 0.000 0.838 533 V N 3.509 123.466 119.914 0.072 0.000 2.530 533 V HA 0.166 5.853 4.120 2.612 0.000 0.282 533 V C 0.597 176.743 176.094 0.086 0.000 1.048 533 V CA 0.339 62.692 62.300 0.088 0.000 0.997 533 V CB 0.791 32.654 31.823 0.066 0.000 0.987 533 V HN 0.534 nan 8.190 nan 0.000 0.477 534 T N 7.448 122.068 114.554 0.110 0.000 2.821 534 T HA 0.374 6.291 4.350 2.612 0.000 0.307 534 T C -2.449 172.317 174.700 0.110 0.000 1.034 534 T CA -1.023 61.134 62.100 0.095 0.000 0.953 534 T CB 1.346 70.268 68.868 0.089 0.000 0.968 534 T HN 0.455 nan 8.240 nan 0.000 0.462 535 P HA 0.317 nan 4.420 nan 0.000 0.267 535 P C -0.203 177.169 177.300 0.121 0.000 1.200 535 P CA 0.008 63.177 63.100 0.115 0.000 0.772 535 P CB 0.611 32.361 31.700 0.084 0.000 0.855 536 T N 0.516 115.170 114.554 0.167 0.000 2.802 536 T HA 0.586 6.503 4.350 2.612 0.000 0.311 536 T C -0.200 174.634 174.700 0.223 0.000 1.405 536 T CA 0.486 62.683 62.100 0.162 0.000 1.016 536 T CB 0.701 69.662 68.868 0.154 0.000 1.352 536 T HN 0.736 nan 8.240 nan 0.000 0.498 537 G N 1.817 110.724 108.800 0.178 0.000 2.645 537 G HA2 0.093 5.621 3.960 2.612 0.000 0.246 537 G HA3 0.093 5.621 3.960 2.612 0.000 0.246 537 G C -0.194 174.749 174.900 0.072 0.000 1.322 537 G CA 0.180 45.408 45.100 0.214 0.000 0.898 537 G HN 1.508 nan 8.290 nan 0.000 0.573 538 S N -0.400 115.316 115.700 0.028 0.000 2.535 538 S HA 0.698 6.735 4.470 2.612 0.000 0.272 538 S C -1.054 173.429 174.600 -0.195 0.000 1.149 538 S CA 0.288 58.374 58.200 -0.190 0.000 0.888 538 S CB 0.810 63.956 63.200 -0.090 0.000 1.110 538 S HN 1.609 nan 8.310 nan 0.000 0.463 539 W N 2.493 123.569 121.300 -0.373 0.000 3.031 539 W HA 0.735 6.963 4.660 2.612 0.000 0.337 539 W C -1.136 175.413 176.519 0.049 0.000 1.187 539 W CA -0.808 56.363 57.345 -0.290 0.000 1.166 539 W CB 0.589 29.412 29.460 -1.062 0.000 1.437 539 W HN 0.428 nan 8.180 nan 0.000 0.551 540 E N 2.971 123.524 120.200 0.589 0.000 2.212 540 E HA 0.282 6.199 4.350 2.612 0.000 0.268 540 E C 0.177 177.147 176.600 0.617 0.000 0.902 540 E CA -1.170 55.478 56.400 0.413 0.000 0.779 540 E CB 2.605 32.462 29.700 0.262 0.000 1.172 540 E HN 0.574 nan 8.360 nan 0.000 0.409 541 M N -0.678 119.218 119.600 0.494 0.000 2.245 541 M HA 0.382 6.429 4.480 2.612 0.000 0.344 541 M C 0.892 177.338 176.300 0.242 0.000 1.170 541 M CA 0.979 56.523 55.300 0.406 0.000 1.135 541 M CB 0.323 33.137 32.600 0.357 0.000 1.574 541 M HN 0.646 nan 8.290 nan 0.000 0.452 542 G N 2.134 111.037 108.800 0.173 0.000 2.234 542 G HA2 -0.323 5.205 3.960 2.612 0.000 0.260 542 G HA3 -0.323 5.205 3.960 2.612 0.000 0.260 542 G C 0.035 174.978 174.900 0.073 0.000 0.987 542 G CA 0.704 45.883 45.100 0.132 0.000 0.625 542 G HN 0.953 nan 8.290 nan 0.000 0.532 543 K N 0.672 121.100 120.400 0.047 0.000 2.205 543 K HA 0.554 6.441 4.320 2.612 0.000 0.279 543 K C 0.576 177.049 176.600 -0.211 0.000 1.027 543 K CA -0.851 55.369 56.287 -0.113 0.000 0.932 543 K CB 0.472 32.828 32.500 -0.241 0.000 1.032 543 K HN 0.253 nan 8.250 nan 0.000 0.466 544 R N 3.859 124.257 120.500 -0.170 0.000 2.267 544 R HA 0.137 6.045 4.340 2.612 0.000 0.319 544 R C -1.294 174.931 176.300 -0.125 0.000 1.067 544 R CA -0.143 55.918 56.100 -0.065 0.000 0.936 544 R CB 0.316 30.633 30.300 0.028 0.000 1.006 544 R HN 0.564 nan 8.270 nan 0.000 0.452 545 Y N 2.399 122.804 120.300 0.174 0.000 2.387 545 Y HA 0.221 6.338 4.550 2.612 0.000 0.336 545 Y C 0.297 176.303 175.900 0.176 0.000 1.067 545 Y CA -0.707 57.510 58.100 0.195 0.000 1.114 545 Y CB 1.455 40.039 38.460 0.207 0.000 1.208 545 Y HN 0.497 nan 8.280 nan 0.000 0.458 546 H N 3.127 122.351 119.070 0.257 0.000 2.604 546 H HA 0.452 6.575 4.556 2.612 0.000 0.306 546 H C -1.375 173.976 175.328 0.039 0.000 1.075 546 H CA -0.334 55.817 56.048 0.171 0.000 1.357 546 H CB 0.848 30.785 29.762 0.290 0.000 1.426 546 H HN 0.445 nan 8.280 nan 0.000 0.470 547 V N 6.654 126.360 119.914 -0.347 0.000 2.417 547 V HA 0.237 5.924 4.120 2.612 0.000 0.291 547 V C -0.179 175.720 176.094 -0.325 0.000 1.024 547 V CA -0.720 61.399 62.300 -0.302 0.000 0.861 547 V CB 1.622 33.298 31.823 -0.245 0.000 0.985 547 V HN 0.478 nan 8.190 nan 0.000 0.436 548 V N 6.364 126.180 119.914 -0.165 0.000 2.531 548 V HA 0.523 6.211 4.120 2.612 0.000 0.301 548 V C -0.459 175.656 176.094 0.034 0.000 1.034 548 V CA -0.508 61.746 62.300 -0.077 0.000 0.865 548 V CB 1.928 33.703 31.823 -0.080 0.000 0.995 548 V HN 0.662 nan 8.190 nan 0.000 0.424 549 L N 4.865 126.097 121.223 0.016 0.000 2.305 549 L HA 0.737 6.645 4.340 2.612 0.000 0.284 549 L C 0.174 177.017 176.870 -0.046 0.000 1.013 549 L CA -0.346 54.511 54.840 0.028 0.000 0.819 549 L CB 2.044 44.154 42.059 0.084 0.000 1.227 549 L HN 0.781 nan 8.230 nan 0.000 0.417 550 T N 0.824 115.326 114.554 -0.088 0.000 2.856 550 T HA 0.722 6.639 4.350 2.612 0.000 0.283 550 T C -0.502 173.966 174.700 -0.386 0.000 1.008 550 T CA -0.739 61.213 62.100 -0.247 0.000 0.997 550 T CB 2.458 71.279 68.868 -0.077 0.000 0.992 550 T HN 0.445 nan 8.240 nan 0.000 0.454 551 M N 2.471 121.694 119.600 -0.629 0.000 2.271 551 M HA 0.703 6.751 4.480 2.612 0.000 0.285 551 M C -1.851 174.290 176.300 -0.265 0.000 1.059 551 M CA -0.445 54.589 55.300 -0.444 0.000 0.940 551 M CB 1.375 33.615 32.600 -0.600 0.000 1.636 551 M HN 1.198 nan 8.290 nan 0.000 0.460 552 A N 3.951 126.697 122.820 -0.124 0.000 2.612 552 A HA 0.688 6.576 4.320 2.612 0.000 0.293 552 A C -0.242 177.326 177.584 -0.028 0.000 1.075 552 A CA -0.508 51.496 52.037 -0.054 0.000 0.680 552 A CB 1.038 20.011 19.000 -0.046 0.000 1.279 552 A HN 0.889 nan 8.150 nan 0.000 0.411 553 N N 0.970 119.671 118.700 0.001 0.000 2.721 553 N HA -0.185 6.123 4.740 2.612 0.000 0.249 553 N C -0.011 175.497 175.510 -0.004 0.000 1.072 553 N CA 1.498 54.551 53.050 0.005 0.000 0.710 553 N CB -1.093 37.393 38.487 -0.002 0.000 0.993 553 N HN 0.897 nan 8.380 nan 0.000 0.547 554 K N -2.546 117.851 120.400 -0.006 0.000 3.274 554 K HA -0.211 5.676 4.320 2.612 0.000 0.300 554 K C -0.060 176.532 176.600 -0.013 0.000 1.230 554 K CA 1.150 57.432 56.287 -0.009 0.000 0.884 554 K CB -1.286 31.212 32.500 -0.005 0.000 1.242 554 K HN 0.500 nan 8.250 nan 0.000 0.467 555 I N 0.569 121.124 120.570 -0.024 0.000 2.433 555 I HA 0.345 6.082 4.170 2.612 0.000 0.292 555 I C 0.720 176.820 176.117 -0.028 0.000 1.001 555 I CA -0.648 60.636 61.300 -0.028 0.000 1.119 555 I CB 1.978 39.955 38.000 -0.039 0.000 1.289 555 I HN 0.099 nan 8.210 nan 0.000 0.438 556 G N 3.346 112.157 108.800 0.018 0.000 2.420 556 G HA2 0.701 6.229 3.960 2.612 0.000 0.331 556 G HA3 0.701 6.229 3.960 2.612 0.000 0.331 556 G C -1.103 173.868 174.900 0.118 0.000 1.168 556 G CA -0.305 44.833 45.100 0.064 0.000 0.936 556 G HN 0.512 nan 8.290 nan 0.000 0.479 557 S N -0.825 114.917 115.700 0.071 0.000 2.549 557 S HA 0.691 6.729 4.470 2.612 0.000 0.280 557 S C -0.771 173.820 174.600 -0.015 0.000 1.109 557 S CA -0.533 57.679 58.200 0.020 0.000 0.905 557 S CB 2.174 65.321 63.200 -0.089 0.000 1.081 557 S HN 0.567 nan 8.310 nan 0.000 0.477 558 V N 2.798 122.638 119.914 -0.124 0.000 2.531 558 V HA 0.531 6.219 4.120 2.612 0.000 0.301 558 V C -1.729 174.183 176.094 -0.304 0.000 1.034 558 V CA -0.639 61.572 62.300 -0.149 0.000 0.865 558 V CB 1.151 32.876 31.823 -0.164 0.000 0.995 558 V HN 0.864 nan 8.190 nan 0.000 0.424 559 Y N 4.296 124.508 120.300 -0.146 0.000 2.409 559 Y HA 0.681 6.798 4.550 2.612 0.000 0.343 559 Y C -0.144 175.615 175.900 -0.235 0.000 0.973 559 Y CA -1.185 56.824 58.100 -0.152 0.000 1.064 559 Y CB 1.845 40.245 38.460 -0.101 0.000 1.207 559 Y HN 0.333 nan 8.280 nan 0.000 0.452 560 I N 3.068 123.567 120.570 -0.119 0.000 2.433 560 I HA 0.215 5.952 4.170 2.612 0.000 0.292 560 I C -0.338 175.703 176.117 -0.126 0.000 1.001 560 I CA -1.031 60.146 61.300 -0.205 0.000 1.119 560 I CB 1.453 39.208 38.000 -0.408 0.000 1.289 560 I HN 0.725 nan 8.210 nan 0.000 0.438 561 D N 5.111 125.423 120.400 -0.147 0.000 2.708 561 D HA -0.187 6.021 4.640 2.612 0.000 0.236 561 D C 1.268 176.960 176.300 -1.013 0.000 1.146 561 D CA 1.614 55.184 54.000 -0.717 0.000 0.662 561 D CB -0.998 39.535 40.800 -0.445 0.000 1.059 561 D HN 1.140 nan 8.370 nan 0.000 0.428 562 G N -1.105 107.457 108.800 -0.397 0.000 2.184 562 G HA2 -0.321 5.206 3.960 2.612 0.000 0.264 562 G HA3 -0.321 5.206 3.960 2.612 0.000 0.264 562 G C -0.050 174.857 174.900 0.011 0.000 0.975 562 G CA 0.528 45.525 45.100 -0.172 0.000 0.642 562 G HN 0.414 nan 8.290 nan 0.000 0.536 563 E N 0.828 121.054 120.200 0.044 0.000 2.222 563 E HA 0.436 6.353 4.350 2.612 0.000 0.267 563 E C -2.633 174.012 176.600 0.073 0.000 0.884 563 E CA -2.058 54.404 56.400 0.103 0.000 0.764 563 E CB 2.419 32.123 29.700 0.006 0.000 1.169 563 E HN 0.148 nan 8.360 nan 0.000 0.413 564 P HA 0.097 nan 4.420 nan 0.000 0.271 564 P C 0.162 177.344 177.300 -0.197 0.000 1.216 564 P CA -0.106 62.755 63.100 -0.397 0.000 0.776 564 P CB 0.682 32.148 31.700 -0.389 0.000 0.881 565 L N 2.465 123.571 121.223 -0.196 0.000 2.456 565 L HA 0.041 5.949 4.340 2.612 0.000 0.272 565 L C 1.428 178.272 176.870 -0.043 0.000 1.189 565 L CA -0.235 54.563 54.840 -0.070 0.000 0.846 565 L CB -0.189 41.849 42.059 -0.034 0.000 1.111 565 L HN 0.500 nan 8.230 nan 0.000 0.475 566 E N 1.686 121.886 120.200 0.000 0.000 2.529 566 E HA 0.156 6.074 4.350 2.612 0.000 0.259 566 E C 0.955 177.549 176.600 -0.010 0.000 0.966 566 E CA 0.281 56.678 56.400 -0.006 0.000 0.937 566 E CB 0.167 29.877 29.700 0.018 0.000 0.923 566 E HN 0.813 nan 8.360 nan 0.000 0.468 567 G N 2.180 110.948 108.800 -0.054 0.000 2.159 567 G HA2 -0.353 5.175 3.960 2.612 0.000 0.256 567 G HA3 -0.353 5.175 3.960 2.612 0.000 0.256 567 G C 0.360 175.136 174.900 -0.207 0.000 0.977 567 G CA 0.225 45.264 45.100 -0.102 0.000 0.652 567 G HN 0.753 nan 8.290 nan 0.000 0.531 568 S N -0.412 115.197 115.700 -0.151 0.000 2.600 568 S HA 0.532 6.569 4.470 2.612 0.000 0.265 568 S C 1.474 175.922 174.600 -0.254 0.000 1.325 568 S CA 1.567 59.660 58.200 -0.177 0.000 1.002 568 S CB 0.715 63.796 63.200 -0.198 0.000 0.921 568 S HN 2.210 nan 8.310 nan 0.000 0.554 569 G N 2.070 110.725 108.800 -0.241 0.000 2.207 569 G HA2 -0.144 5.383 3.960 2.612 0.000 0.216 569 G HA3 -0.144 5.383 3.960 2.612 0.000 0.216 569 G C -0.400 174.364 174.900 -0.227 0.000 1.053 569 G CA -0.093 44.897 45.100 -0.183 0.000 0.764 569 G HN 0.717 nan 8.290 nan 0.000 0.495 570 Q N 0.042 119.636 119.800 -0.344 0.000 2.257 570 Q HA 0.604 6.511 4.340 2.612 0.000 0.262 570 Q C 0.233 176.157 176.000 -0.127 0.000 0.997 570 Q CA -0.640 54.988 55.803 -0.292 0.000 0.873 570 Q CB 1.323 29.761 28.738 -0.501 0.000 1.312 570 Q HN 0.197 nan 8.270 nan 0.000 0.450 571 T N 1.129 115.635 114.554 -0.080 0.000 2.908 571 T HA 0.062 5.980 4.350 2.612 0.000 0.301 571 T C 1.004 175.712 174.700 0.013 0.000 1.019 571 T CA -0.001 62.082 62.100 -0.028 0.000 1.152 571 T CB 0.317 69.170 68.868 -0.026 0.000 0.966 571 T HN 0.562 nan 8.240 nan 0.000 0.540 572 V N 1.264 121.198 119.914 0.032 0.000 3.604 572 V HA 0.445 6.132 4.120 2.612 0.000 0.277 572 V C 0.232 176.346 176.094 0.033 0.000 1.399 572 V CA -0.136 62.200 62.300 0.061 0.000 1.034 572 V CB 0.250 32.126 31.823 0.089 0.000 0.824 572 V HN 0.513 nan 8.190 nan 0.000 0.439 573 V N 1.911 121.832 119.914 0.013 0.000 2.623 573 V HA 0.528 6.216 4.120 2.612 0.000 0.304 573 V C -2.603 173.490 176.094 -0.003 0.000 1.054 573 V CA -1.759 60.541 62.300 -0.001 0.000 0.882 573 V CB 2.124 33.938 31.823 -0.015 0.000 1.002 573 V HN 0.211 nan 8.190 nan 0.000 0.424 574 P HA 0.037 nan 4.420 nan 0.000 0.264 574 P C 0.199 177.498 177.300 -0.002 0.000 1.179 574 P CA 0.195 63.293 63.100 -0.003 0.000 0.763 574 P CB 0.581 32.279 31.700 -0.004 0.000 0.806 575 D N 1.890 122.291 120.400 0.000 0.000 2.178 575 D HA -0.141 6.066 4.640 2.612 0.000 0.201 575 D C 1.976 178.281 176.300 0.008 0.000 0.980 575 D CA 1.963 55.965 54.000 0.004 0.000 0.842 575 D CB -0.316 40.486 40.800 0.004 0.000 0.948 575 D HN 0.596 nan 8.370 nan 0.000 0.472 576 E N 0.899 121.103 120.200 0.007 0.000 2.075 576 E HA 0.112 6.030 4.350 2.612 0.000 0.190 576 E C 1.625 178.231 176.600 0.010 0.000 0.969 576 E CA 0.896 57.303 56.400 0.012 0.000 0.815 576 E CB -1.025 28.682 29.700 0.011 0.000 0.776 576 E HN 0.397 nan 8.360 nan 0.000 0.457 577 R N 0.789 121.290 120.500 0.001 0.000 2.640 577 R HA 0.396 6.303 4.340 2.612 0.000 0.270 577 R C 0.345 176.632 176.300 -0.021 0.000 1.024 577 R CA 0.534 56.630 56.100 -0.007 0.000 1.085 577 R CB -0.739 29.553 30.300 -0.013 0.000 0.963 577 R HN 0.328 nan 8.270 nan 0.000 0.426 578 T N 5.300 119.837 114.554 -0.029 0.000 2.767 578 T HA 0.475 6.393 4.350 2.612 0.000 0.284 578 T C -2.050 172.584 174.700 -0.111 0.000 0.973 578 T CA -0.855 61.198 62.100 -0.078 0.000 0.996 578 T CB 1.498 70.341 68.868 -0.043 0.000 0.927 578 T HN 0.665 nan 8.240 nan 0.000 0.456 579 P HA 0.298 nan 4.420 nan 0.000 0.270 579 P C -0.633 176.549 177.300 -0.195 0.000 1.223 579 P CA -0.312 62.695 63.100 -0.155 0.000 0.785 579 P CB 0.475 32.079 31.700 -0.161 0.000 0.923 580 D N 1.114 121.416 120.400 -0.162 0.000 2.443 580 D HA 0.258 6.465 4.640 2.612 0.000 0.281 580 D C -0.395 175.795 176.300 -0.184 0.000 1.210 580 D CA -0.372 53.529 54.000 -0.165 0.000 0.875 580 D CB -0.478 40.268 40.800 -0.090 0.000 1.125 580 D HN 0.165 nan 8.370 nan 0.000 0.503 581 I N 1.394 121.805 120.570 -0.264 0.000 2.683 581 I HA -0.045 5.693 4.170 2.612 0.000 0.286 581 I C 1.778 177.728 176.117 -0.279 0.000 1.175 581 I CA 0.160 61.269 61.300 -0.318 0.000 1.429 581 I CB 1.310 39.018 38.000 -0.487 0.000 1.371 581 I HN 0.206 nan 8.210 nan 0.000 0.569 582 S N 5.748 121.313 115.700 -0.225 0.000 2.362 582 S HA -0.030 6.007 4.470 2.612 0.000 0.221 582 S C 0.290 174.879 174.600 -0.018 0.000 1.032 582 S CA 0.711 58.867 58.200 -0.072 0.000 0.973 582 S CB 0.029 63.278 63.200 0.082 0.000 0.849 582 S HN 0.810 nan 8.310 nan 0.000 0.465 583 H N -2.511 116.415 119.070 -0.239 0.000 2.987 583 H HA 0.307 6.431 4.556 2.612 0.000 0.316 583 H C -1.732 173.398 175.328 -0.330 0.000 1.380 583 H CA -0.986 54.934 56.048 -0.213 0.000 1.160 583 H CB -0.315 29.456 29.762 0.015 0.000 1.865 583 H HN 0.190 nan 8.280 nan 0.000 0.521 584 F N 1.609 121.620 119.950 0.102 0.000 2.385 584 F HA 0.325 6.419 4.527 2.612 0.000 0.336 584 F C 0.064 176.028 175.800 0.272 0.000 1.100 584 F CA -0.829 57.181 58.000 0.016 0.000 1.116 584 F CB 0.893 39.907 39.000 0.024 0.000 1.166 584 F HN 0.441 nan 8.300 nan 0.000 0.511 585 Y N -0.003 120.513 120.300 0.360 0.000 2.409 585 Y HA 0.812 6.929 4.550 2.612 0.000 0.339 585 Y C -1.340 174.648 175.900 0.145 0.000 1.033 585 Y CA -1.741 56.528 58.100 0.282 0.000 1.094 585 Y CB 0.989 39.615 38.460 0.276 0.000 1.210 585 Y HN 0.288 nan 8.280 nan 0.000 0.456 586 V N 2.896 122.909 119.914 0.166 0.000 2.569 586 V HA 0.618 6.305 4.120 2.612 0.000 0.301 586 V C 0.504 176.488 176.094 -0.184 0.000 1.044 586 V CA -0.502 61.822 62.300 0.039 0.000 0.874 586 V CB 1.027 32.920 31.823 0.116 0.000 1.002 586 V HN 1.350 nan 8.190 nan 0.000 0.424 587 G N 2.959 111.658 108.800 -0.169 0.000 2.143 587 G HA2 0.243 5.771 3.960 2.612 0.000 0.248 587 G HA3 0.243 5.771 3.960 2.612 0.000 0.248 587 G C 0.662 175.310 174.900 -0.419 0.000 0.991 587 G CA 0.267 45.139 45.100 -0.380 0.000 0.689 587 G HN 2.287 nan 8.290 nan 0.000 0.522 588 G N -2.594 106.062 108.800 -0.241 0.000 2.369 588 G HA2 0.370 5.897 3.960 2.612 0.000 0.293 588 G HA3 0.370 5.897 3.960 2.612 0.000 0.293 588 G C -0.061 174.718 174.900 -0.201 0.000 1.301 588 G CA 0.102 45.062 45.100 -0.234 0.000 0.913 588 G HN 0.495 nan 8.290 nan 0.000 0.540 589 Y N 0.383 120.648 120.300 -0.059 0.000 2.500 589 Y HA 0.296 6.413 4.550 2.612 0.000 0.270 589 Y C 2.015 177.912 175.900 -0.004 0.000 1.134 589 Y CA 0.747 58.801 58.100 -0.077 0.000 1.293 589 Y CB 0.384 38.753 38.460 -0.152 0.000 1.063 589 Y HN 0.562 nan 8.280 nan 0.000 0.534 590 K N 1.253 121.716 120.400 0.106 0.000 3.035 590 K HA -0.218 5.669 4.320 2.612 0.000 0.262 590 K C -1.282 175.354 176.600 0.060 0.000 1.024 590 K CA 0.336 56.665 56.287 0.069 0.000 0.748 590 K CB -0.547 31.989 32.500 0.060 0.000 1.247 590 K HN 0.132 nan 8.250 nan 0.000 0.482 591 R N -0.001 120.547 120.500 0.081 0.000 2.502 591 R HA 0.110 6.017 4.340 2.612 0.000 0.298 591 R C 1.123 177.439 176.300 0.026 0.000 1.018 591 R CA 0.240 56.357 56.100 0.029 0.000 0.899 591 R CB 1.562 31.854 30.300 -0.014 0.000 1.181 591 R HN 0.246 nan 8.270 nan 0.000 0.444 592 S N 0.831 116.539 115.700 0.013 0.000 2.419 592 S HA -0.114 5.923 4.470 2.612 0.000 0.233 592 S C 1.639 176.237 174.600 -0.003 0.000 1.016 592 S CA 1.294 59.501 58.200 0.011 0.000 0.974 592 S CB 0.000 63.204 63.200 0.007 0.000 0.786 592 S HN 0.720 nan 8.310 nan 0.000 0.492 593 G N 0.898 109.684 108.800 -0.023 0.000 2.744 593 G HA2 0.201 5.729 3.960 2.612 0.000 0.211 593 G HA3 0.201 5.729 3.960 2.612 0.000 0.211 593 G C 0.443 175.306 174.900 -0.061 0.000 1.143 593 G CA -0.011 45.064 45.100 -0.041 0.000 0.788 593 G HN 0.385 nan 8.290 nan 0.000 0.534 594 M N 0.980 120.544 119.600 -0.060 0.000 2.180 594 M HA 0.266 6.313 4.480 2.612 0.000 0.350 594 M C -1.985 174.325 176.300 0.015 0.000 1.125 594 M CA -2.764 52.493 55.300 -0.072 0.000 1.031 594 M CB 1.664 34.164 32.600 -0.166 0.000 1.623 594 M HN -0.161 nan 8.290 nan 0.000 0.451 595 P HA 0.032 nan 4.420 nan 0.000 0.249 595 P C 0.163 177.484 177.300 0.036 0.000 1.241 595 P CA 0.286 63.398 63.100 0.019 0.000 0.781 595 P CB -0.523 31.179 31.700 0.002 0.000 1.088 596 T N -2.238 112.359 114.554 0.072 0.000 2.868 596 T HA 0.321 6.239 4.350 2.612 0.000 0.292 596 T C -0.282 174.442 174.700 0.039 0.000 1.028 596 T CA -0.501 61.629 62.100 0.051 0.000 1.059 596 T CB 1.091 69.999 68.868 0.066 0.000 0.991 596 T HN -0.170 nan 8.240 nan 0.000 0.531 597 D N 0.834 121.244 120.400 0.017 0.000 2.375 597 D HA 0.278 6.485 4.640 2.612 0.000 0.259 597 D C -0.953 175.382 176.300 0.058 0.000 1.235 597 D CA -0.458 53.566 54.000 0.041 0.000 0.924 597 D CB 0.778 41.606 40.800 0.047 0.000 1.143 597 D HN 0.456 nan 8.370 nan 0.000 0.529 598 S N 3.145 118.885 115.700 0.066 0.000 2.411 598 S HA 0.393 6.430 4.470 2.612 0.000 0.294 598 S C 0.305 175.009 174.600 0.173 0.000 1.115 598 S CA -0.614 57.669 58.200 0.139 0.000 1.071 598 S CB 0.772 64.017 63.200 0.074 0.000 0.967 598 S HN 0.272 nan 8.310 nan 0.000 0.488 599 R N 2.672 123.294 120.500 0.204 0.000 2.346 599 R HA 0.496 6.404 4.340 2.612 0.000 0.309 599 R C -0.686 175.732 176.300 0.195 0.000 1.119 599 R CA -0.376 55.850 56.100 0.210 0.000 1.112 599 R CB 0.604 31.020 30.300 0.193 0.000 1.132 599 R HN 0.498 nan 8.270 nan 0.000 0.538 600 V N -1.620 118.431 119.914 0.229 0.000 3.120 600 V HA 0.564 6.252 4.120 2.612 0.000 0.303 600 V C -0.483 175.748 176.094 0.229 0.000 1.238 600 V CA -0.816 61.517 62.300 0.055 0.000 1.008 600 V CB 2.349 34.161 31.823 -0.018 0.000 1.064 600 V HN 0.341 nan 8.190 nan 0.000 0.434 601 T N 2.590 117.218 114.554 0.123 0.000 2.824 601 T HA 0.743 6.661 4.350 2.612 0.000 0.280 601 T C -0.560 174.239 174.700 0.165 0.000 0.995 601 T CA -0.367 61.849 62.100 0.192 0.000 1.009 601 T CB 1.491 70.514 68.868 0.258 0.000 0.955 601 T HN 0.840 nan 8.240 nan 0.000 0.452 602 V N 5.127 125.176 119.914 0.225 0.000 2.531 602 V HA 0.522 6.210 4.120 2.612 0.000 0.301 602 V C -0.395 175.905 176.094 0.343 0.000 1.034 602 V CA -1.031 61.455 62.300 0.310 0.000 0.865 602 V CB 1.807 33.922 31.823 0.485 0.000 0.995 602 V HN 0.813 nan 8.190 nan 0.000 0.424 603 N N 3.059 121.934 118.700 0.293 0.000 2.292 603 N HA 0.413 6.721 4.740 2.612 0.000 0.303 603 N C -0.498 175.176 175.510 0.274 0.000 1.140 603 N CA -0.761 52.468 53.050 0.298 0.000 0.788 603 N CB 1.808 40.420 38.487 0.208 0.000 1.361 603 N HN 0.800 nan 8.380 nan 0.000 0.489 604 N N -0.615 118.244 118.700 0.264 0.000 2.641 604 N HA -0.160 6.147 4.740 2.612 0.000 0.267 604 N C -1.097 174.549 175.510 0.227 0.000 1.087 604 N CA -0.004 53.222 53.050 0.292 0.000 0.731 604 N CB -0.731 37.975 38.487 0.365 0.000 0.886 604 N HN 0.207 nan 8.380 nan 0.000 0.547 605 V N 1.888 121.815 119.914 0.021 0.000 2.461 605 V HA 0.379 6.066 4.120 2.612 0.000 0.275 605 V C 0.658 176.808 176.094 0.093 0.000 1.047 605 V CA -0.178 62.080 62.300 -0.072 0.000 0.955 605 V CB 1.121 32.694 31.823 -0.418 0.000 0.988 605 V HN 0.243 nan 8.190 nan 0.000 0.471 606 L N 5.624 126.900 121.223 0.088 0.000 2.346 606 L HA 0.658 6.566 4.340 2.612 0.000 0.274 606 L C -0.789 176.088 176.870 0.011 0.000 1.007 606 L CA -0.691 54.163 54.840 0.023 0.000 0.818 606 L CB 1.988 44.004 42.059 -0.072 0.000 1.284 606 L HN 0.471 nan 8.230 nan 0.000 0.424 607 L N 2.893 124.044 121.223 -0.120 0.000 2.376 607 L HA 0.560 6.467 4.340 2.612 0.000 0.275 607 L C -1.428 175.233 176.870 -0.350 0.000 0.987 607 L CA -0.032 54.664 54.840 -0.239 0.000 0.828 607 L CB 1.113 42.841 42.059 -0.551 0.000 1.249 607 L HN 0.280 nan 8.230 nan 0.000 0.409 608 Y N 2.537 122.748 120.300 -0.149 0.000 2.487 608 Y HA 0.374 6.492 4.550 2.612 0.000 0.337 608 Y C 0.937 176.707 175.900 -0.217 0.000 1.076 608 Y CA -0.665 57.312 58.100 -0.205 0.000 1.115 608 Y CB 1.281 39.648 38.460 -0.155 0.000 1.235 608 Y HN 0.711 nan 8.280 nan 0.000 0.468 609 N N 1.681 120.178 118.700 -0.339 0.000 2.375 609 N HA 0.078 6.386 4.740 2.612 0.000 0.220 609 N C -0.595 174.820 175.510 -0.158 0.000 1.170 609 N CA -0.288 52.398 53.050 -0.606 0.000 0.833 609 N CB -0.102 37.633 38.487 -1.253 0.000 1.069 609 N HN 0.779 nan 8.380 nan 0.000 0.479 610 R N -2.395 118.087 120.500 -0.030 0.000 2.733 610 R HA 0.276 6.183 4.340 2.612 0.000 0.272 610 R C -1.337 174.928 176.300 -0.057 0.000 1.029 610 R CA -0.957 55.123 56.100 -0.033 0.000 0.888 610 R CB 0.648 30.909 30.300 -0.065 0.000 1.251 610 R HN 0.057 nan 8.270 nan 0.000 0.464 611 Q N 2.160 121.910 119.800 -0.083 0.000 2.307 611 Q HA 0.243 6.151 4.340 2.612 0.000 0.259 611 Q C -0.639 175.269 176.000 -0.153 0.000 0.998 611 Q CA -0.427 55.304 55.803 -0.120 0.000 0.923 611 Q CB 0.738 29.419 28.738 -0.096 0.000 1.196 611 Q HN 0.482 nan 8.270 nan 0.000 0.416 612 L N 3.581 124.670 121.223 -0.224 0.000 2.467 612 L HA 0.077 5.985 4.340 2.612 0.000 0.270 612 L C 0.695 177.440 176.870 -0.208 0.000 1.205 612 L CA -0.430 54.241 54.840 -0.280 0.000 0.828 612 L CB 0.120 41.939 42.059 -0.400 0.000 1.101 612 L HN 0.795 nan 8.230 nan 0.000 0.479 613 N N 1.292 119.882 118.700 -0.183 0.000 2.413 613 N HA 0.235 6.543 4.740 2.612 0.000 0.266 613 N C 0.587 176.004 175.510 -0.155 0.000 1.238 613 N CA 0.003 52.972 53.050 -0.136 0.000 0.972 613 N CB 0.689 39.117 38.487 -0.098 0.000 1.210 613 N HN 0.602 nan 8.380 nan 0.000 0.547 614 A N -0.224 122.531 122.820 -0.108 0.000 1.892 614 A HA -0.281 5.606 4.320 2.612 0.000 0.218 614 A C 2.015 179.542 177.584 -0.096 0.000 1.188 614 A CA 2.107 54.084 52.037 -0.099 0.000 0.631 614 A CB -1.295 17.685 19.000 -0.035 0.000 0.822 614 A HN 0.930 nan 8.150 nan 0.000 0.447 615 E N -0.196 119.959 120.200 -0.076 0.000 2.051 615 E HA -0.235 5.683 4.350 2.612 0.000 0.192 615 E C 1.901 178.452 176.600 -0.082 0.000 0.991 615 E CA 1.425 57.788 56.400 -0.062 0.000 0.799 615 E CB -0.211 29.457 29.700 -0.052 0.000 0.748 615 E HN 0.740 nan 8.360 nan 0.000 0.449 616 E N 0.392 120.523 120.200 -0.116 0.000 2.085 616 E HA -0.201 5.716 4.350 2.612 0.000 0.194 616 E C 2.229 178.742 176.600 -0.144 0.000 0.994 616 E CA 1.407 57.721 56.400 -0.143 0.000 0.801 616 E CB -0.147 29.429 29.700 -0.206 0.000 0.743 616 E HN 0.408 nan 8.360 nan 0.000 0.453 617 I N 0.605 121.069 120.570 -0.177 0.000 2.179 617 I HA -0.277 5.460 4.170 2.612 0.000 0.242 617 I C 2.685 178.771 176.117 -0.051 0.000 1.088 617 I CA 1.090 62.288 61.300 -0.170 0.000 1.357 617 I CB -0.149 37.617 38.000 -0.391 0.000 1.051 617 I HN 0.007 nan 8.210 nan 0.000 0.409 618 R N 0.645 121.121 120.500 -0.040 0.000 2.081 618 R HA -0.146 5.761 4.340 2.612 0.000 0.235 618 R C 2.195 178.508 176.300 0.022 0.000 1.131 618 R CA 2.077 58.210 56.100 0.055 0.000 0.960 618 R CB -0.487 29.838 30.300 0.042 0.000 0.856 618 R HN 0.197 nan 8.270 nan 0.000 0.436 619 T N 1.057 115.588 114.554 -0.037 0.000 2.746 619 T HA -0.078 5.840 4.350 2.612 0.000 0.267 619 T C 1.693 176.338 174.700 -0.091 0.000 1.039 619 T CA 1.440 63.500 62.100 -0.067 0.000 1.142 619 T CB -0.140 68.692 68.868 -0.061 0.000 0.866 619 T HN 0.151 nan 8.240 nan 0.000 0.444 620 L N 0.117 121.300 121.223 -0.067 0.000 2.046 620 L HA -0.053 5.855 4.340 2.612 0.000 0.208 620 L C 2.317 178.997 176.870 -0.317 0.000 1.077 620 L CA 1.327 56.126 54.840 -0.067 0.000 0.747 620 L CB -0.573 41.542 42.059 0.094 0.000 0.896 620 L HN 0.231 nan 8.230 nan 0.000 0.432 621 F N 0.930 120.519 119.950 -0.602 0.000 2.095 621 F HA -0.228 5.866 4.527 2.612 0.000 0.298 621 F C 2.089 177.673 175.800 -0.361 0.000 1.104 621 F CA 1.585 59.099 58.000 -0.810 0.000 1.232 621 F CB -0.440 38.322 39.000 -0.397 0.000 0.987 621 F HN -0.108 nan 8.300 nan 0.000 0.475 622 L N 0.124 120.985 121.223 -0.603 0.000 2.291 622 L HA -0.092 5.816 4.340 2.612 0.000 0.214 622 L C 2.025 178.678 176.870 -0.362 0.000 1.120 622 L CA 1.219 55.693 54.840 -0.610 0.000 0.799 622 L CB -0.708 41.146 42.059 -0.342 0.000 0.925 622 L HN 0.374 nan 8.230 nan 0.000 0.446 623 S N -2.399 113.149 115.700 -0.253 0.000 2.575 623 S HA 0.067 6.104 4.470 2.612 0.000 0.237 623 S C 1.379 175.928 174.600 -0.084 0.000 0.975 623 S CA -0.494 57.622 58.200 -0.140 0.000 0.960 623 S CB 0.351 63.494 63.200 -0.094 0.000 0.822 623 S HN 0.334 nan 8.310 nan 0.000 0.472 624 Q N 1.565 121.299 119.800 -0.109 0.000 2.152 624 Q HA -0.148 5.760 4.340 2.612 0.000 0.206 624 Q C 0.599 176.633 176.000 0.057 0.000 0.985 624 Q CA 1.737 57.549 55.803 0.014 0.000 0.863 624 Q CB -0.164 28.598 28.738 0.040 0.000 0.904 624 Q HN 0.699 nan 8.270 nan 0.000 0.422 625 D N -0.567 119.843 120.400 0.016 0.000 2.328 625 D HA 0.043 6.250 4.640 2.612 0.000 0.221 625 D C 1.158 177.490 176.300 0.054 0.000 1.072 625 D CA 0.370 54.396 54.000 0.043 0.000 0.850 625 D CB 0.423 41.236 40.800 0.021 0.000 0.922 625 D HN 0.289 nan 8.370 nan 0.000 0.516 626 L N 0.201 121.453 121.223 0.049 0.000 2.672 626 L HA 0.230 6.138 4.340 2.612 0.000 0.236 626 L C 2.147 179.082 176.870 0.109 0.000 1.092 626 L CA 0.161 55.036 54.840 0.059 0.000 0.887 626 L CB 0.046 42.109 42.059 0.007 0.000 1.168 626 L HN -0.042 nan 8.230 nan 0.000 0.502 627 I N -2.143 118.514 120.570 0.145 0.000 3.578 627 I HA 0.280 6.018 4.170 2.612 0.000 0.295 627 I C 1.272 177.693 176.117 0.508 0.000 1.280 627 I CA -0.229 61.214 61.300 0.238 0.000 1.347 627 I CB -0.595 37.503 38.000 0.162 0.000 1.051 627 I HN 0.000 nan 8.210 nan 0.000 0.460 628 G N 1.450 110.466 108.800 0.360 0.000 2.554 628 G HA2 0.213 5.740 3.960 2.612 0.000 0.238 628 G HA3 0.213 5.740 3.960 2.612 0.000 0.238 628 G C 0.974 176.005 174.900 0.218 0.000 1.259 628 G CA 0.410 45.673 45.100 0.272 0.000 0.843 628 G HN 0.435 nan 8.290 nan 0.000 0.582 629 T N -1.891 112.635 114.554 -0.045 0.000 3.065 629 T HA 0.061 5.978 4.350 2.612 0.000 0.252 629 T C 1.618 176.292 174.700 -0.043 0.000 1.099 629 T CA 0.977 62.946 62.100 -0.218 0.000 1.063 629 T CB 0.087 68.526 68.868 -0.716 0.000 0.948 629 T HN 0.641 nan 8.240 nan 0.000 0.506 630 E N 1.733 121.879 120.200 -0.091 0.000 2.070 630 E HA -0.153 5.764 4.350 2.612 0.000 0.197 630 E C 2.136 178.649 176.600 -0.146 0.000 1.004 630 E CA 1.359 57.550 56.400 -0.350 0.000 0.805 630 E CB -0.364 28.988 29.700 -0.580 0.000 0.744 630 E HN 0.671 nan 8.360 nan 0.000 0.451 631 A N -0.023 122.793 122.820 -0.006 0.000 2.218 631 A HA -0.078 5.810 4.320 2.612 0.000 0.209 631 A C 1.825 179.476 177.584 0.111 0.000 1.168 631 A CA 0.724 52.783 52.037 0.037 0.000 0.804 631 A CB -0.349 18.683 19.000 0.054 0.000 0.834 631 A HN 0.411 nan 8.150 nan 0.000 0.482 632 H N 0.820 119.924 119.070 0.056 0.000 2.465 632 H HA 0.153 6.276 4.556 2.612 0.000 0.289 632 H C 0.951 176.304 175.328 0.041 0.000 1.022 632 H CA 1.130 57.219 56.048 0.067 0.000 1.340 632 H CB -0.166 29.638 29.762 0.070 0.000 1.437 632 H HN 0.566 nan 8.280 nan 0.000 0.539 633 M N 0.000 119.845 119.600 0.408 0.000 2.572 633 M HA 0.000 6.047 4.480 2.612 0.000 0.227 633 M CA 0.000 55.474 55.300 0.291 0.000 0.988 633 M CB 0.000 32.761 32.600 0.269 0.000 1.302 633 M HN 0.000 nan 8.290 nan 0.000 0.411