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 3mc2_1_B DATA FIRST_RESID 3 DATA SEQUENCE EKTIRWcVVS DHEATKcSSF RDNMKKVLPA GGPAVTcVRK MSHPEcIRDI DATA SEQUENCE SANKVDAVTV DGALVAEADL PHHSLKPIMA EYYGSKDDPK THYYVVAMAK DATA SEQUENCE KGTGFQLNQL RGKKScHTGL GWSAGWYVPL STLLPSGSRE TAAATFFSSS DATA SEQUENCE cVPcADGKMF PSLcQLcAGK GTDKcAcSSR EPYFGSWGAL KcLQDGTADV DATA SEQUENCE SFVKHLTVFE AMPTKADRDQ YELLcMDNTR RPVEEYEQcY LARVPSHVVV DATA SEQUENCE ARSVDGKEDS IQELLRVAQE HFGKDKSSPF QLFGSPHGED LLFTDAAHGL DATA SEQUENCE LRVPRKIDIS LYLGYEFLSA FRNLKRXXXX SQRVKWcAVG QQERTKcDQW DATA SEQUENCE SAVSGGALAc ATEETPEDcI AATMKGEADA MSLDGGFAYV AGHcGLVPVL DATA SEQUENCE AENYLSTHSS GRLGSKcVNA PLEGYYVVAV VKKSDVGITW KSLQGKKScH DATA SEQUENCE TAVGTSEGWN VPMGLIYDQT GScKFDAFFS RScAPGSDPD SPLcALcVGG DATA SEQUENCE NNPAHMcAAN NAEGYHGSSG ALRcLVEKGD VAFMKHPTVL QNTDGKNPEP DATA SEQUENCE WAKGLKHEDF ELLcLDGTRK PVTEAQScHL ARVPNRAVFS RKDKADFVRR DATA SEQUENCE ILFNQQELFG RNGFEYMMFQ MFESSAKDLL FSDDTEcLSN LQDKTTYKTY DATA SEQUENCE LGPQYLTLMD NFRQcLSSEL LDAcTFHKY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.599 176.600 -0.002 0.000 1.382 3 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 3 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 4 K N 0.572 120.972 120.400 0.001 0.000 2.706 4 K HA 0.173 4.493 4.320 -0.000 0.000 0.217 4 K C -0.469 176.138 176.600 0.011 0.000 1.019 4 K CA 0.103 56.393 56.287 0.005 0.000 1.181 4 K CB -0.140 32.364 32.500 0.007 0.000 0.940 4 K HN 0.261 nan 8.250 nan 0.000 0.491 5 T N 2.610 117.169 114.554 0.008 0.000 2.727 5 T HA 0.144 4.494 4.350 -0.000 0.000 0.295 5 T C 0.040 174.756 174.700 0.027 0.000 0.915 5 T CA -0.568 61.540 62.100 0.013 0.000 1.066 5 T CB 0.432 69.303 68.868 0.005 0.000 0.891 5 T HN 0.381 nan 8.240 nan 0.000 0.516 6 I N 4.935 125.535 120.570 0.049 0.000 2.517 6 I HA 0.196 4.366 4.170 -0.000 0.000 0.285 6 I C 0.091 176.274 176.117 0.109 0.000 1.106 6 I CA -0.427 60.919 61.300 0.077 0.000 1.402 6 I CB 0.182 38.261 38.000 0.133 0.000 1.399 6 I HN 0.486 nan 8.210 nan 0.000 0.535 7 R N 7.969 128.511 120.500 0.070 0.000 2.207 7 R HA 0.235 4.575 4.340 -0.000 0.000 0.334 7 R C -0.870 175.495 176.300 0.108 0.000 1.013 7 R CA -0.541 55.612 56.100 0.089 0.000 0.858 7 R CB 1.005 31.326 30.300 0.036 0.000 1.094 7 R HN 0.637 nan 8.270 nan 0.000 0.457 8 W N 4.519 125.846 121.300 0.045 0.000 2.390 8 W HA 0.206 4.866 4.660 -0.000 0.000 0.312 8 W C -0.353 176.192 176.519 0.044 0.000 1.123 8 W CA -1.167 56.211 57.345 0.055 0.000 1.202 8 W CB 1.452 30.973 29.460 0.102 0.000 1.251 8 W HN 0.483 nan 8.180 nan 0.000 0.511 9 c N 7.353 125.969 118.600 0.027 0.000 2.576 9 c HA 0.435 5.005 4.570 -0.000 0.000 0.401 9 c C 0.467 174.737 174.090 0.299 0.000 1.314 9 c CA -0.256 56.142 56.329 0.115 0.000 1.855 9 c CB -1.219 41.285 42.510 -0.009 0.000 2.537 9 c HN 0.348 nan 8.230 nan 0.000 0.578 10 V N 5.725 125.776 119.914 0.228 0.000 2.769 10 V HA 0.787 4.907 4.120 -0.000 0.000 0.312 10 V C 0.056 176.229 176.094 0.132 0.000 1.061 10 V CA -0.303 62.120 62.300 0.205 0.000 0.931 10 V CB 1.492 33.417 31.823 0.170 0.000 1.010 10 V HN 0.777 nan 8.190 nan 0.000 0.433 11 V N -0.368 119.606 119.914 0.100 0.000 3.548 11 V HA 0.437 4.557 4.120 -0.000 0.000 0.279 11 V C 0.689 176.788 176.094 0.008 0.000 1.446 11 V CA 0.880 63.201 62.300 0.035 0.000 1.023 11 V CB -0.333 31.479 31.823 -0.019 0.000 0.820 11 V HN 1.186 nan 8.190 nan 0.000 0.438 12 S N -0.412 115.316 115.700 0.046 0.000 2.810 12 S HA 0.571 5.041 4.470 -0.000 0.000 0.315 12 S C 0.039 174.676 174.600 0.063 0.000 1.138 12 S CA 0.112 58.358 58.200 0.077 0.000 0.889 12 S CB 1.788 65.097 63.200 0.182 0.000 1.236 12 S HN 0.074 nan 8.310 nan 0.000 0.548 13 D N -0.088 120.310 120.400 -0.003 0.000 2.240 13 D HA 0.135 4.775 4.640 -0.000 0.000 0.206 13 D C 1.378 177.607 176.300 -0.119 0.000 0.963 13 D CA 1.055 54.974 54.000 -0.136 0.000 0.863 13 D CB -0.270 40.360 40.800 -0.283 0.000 0.973 13 D HN 0.699 nan 8.370 nan 0.000 0.501 14 H N 0.189 119.237 119.070 -0.036 0.000 2.428 14 H HA 0.066 4.622 4.556 -0.000 0.000 0.296 14 H C 1.604 176.941 175.328 0.016 0.000 1.062 14 H CA 0.918 56.965 56.048 -0.001 0.000 1.350 14 H CB -0.122 29.627 29.762 -0.023 0.000 1.403 14 H HN 0.175 nan 8.280 nan 0.000 0.533 15 E N 0.426 120.725 120.200 0.164 0.000 2.285 15 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 15 E C 2.024 178.674 176.600 0.082 0.000 0.997 15 E CA 0.496 56.956 56.400 0.100 0.000 0.845 15 E CB 0.063 29.820 29.700 0.095 0.000 0.782 15 E HN 0.508 nan 8.360 nan 0.000 0.491 16 A N 0.375 123.238 122.820 0.070 0.000 1.935 16 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 16 A C 2.345 179.951 177.584 0.038 0.000 1.178 16 A CA 1.558 53.626 52.037 0.051 0.000 0.640 16 A CB -0.726 18.292 19.000 0.029 0.000 0.825 16 A HN 0.415 nan 8.150 nan 0.000 0.447 17 T N -1.881 112.696 114.554 0.039 0.000 2.857 17 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 17 T C 1.881 176.614 174.700 0.055 0.000 1.048 17 T CA 1.591 63.713 62.100 0.036 0.000 1.139 17 T CB -0.216 68.680 68.868 0.047 0.000 0.874 17 T HN 0.452 nan 8.240 nan 0.000 0.455 18 K N -0.006 120.444 120.400 0.085 0.000 2.062 18 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 18 K C 2.668 179.336 176.600 0.113 0.000 1.051 18 K CA 1.160 57.525 56.287 0.129 0.000 0.941 18 K CB -0.645 31.917 32.500 0.103 0.000 0.719 18 K HN 0.461 nan 8.250 nan 0.000 0.440 19 c N 0.822 119.461 118.600 0.066 0.000 2.425 19 c HA -0.038 4.532 4.570 -0.000 0.000 0.277 19 c C 2.580 176.688 174.090 0.029 0.000 1.280 19 c CA 1.440 57.809 56.329 0.067 0.000 1.744 19 c CB -0.934 41.617 42.510 0.067 0.000 1.989 19 c HN 0.500 nan 8.230 nan 0.000 0.491 20 S N -0.080 115.615 115.700 -0.008 0.000 2.383 20 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 20 S C 2.100 176.614 174.600 -0.144 0.000 1.026 20 S CA 1.578 59.743 58.200 -0.057 0.000 0.981 20 S CB -0.450 62.726 63.200 -0.040 0.000 0.818 20 S HN 0.783 nan 8.310 nan 0.000 0.472 21 S N 0.347 115.940 115.700 -0.180 0.000 2.428 21 S HA 0.006 4.476 4.470 -0.000 0.000 0.230 21 S C 1.498 175.599 174.600 -0.831 0.000 1.014 21 S CA 0.431 58.384 58.200 -0.411 0.000 0.957 21 S CB -0.354 62.658 63.200 -0.313 0.000 0.784 21 S HN 0.492 nan 8.310 nan 0.000 0.499 22 F N 2.992 122.459 119.950 -0.804 0.000 2.206 22 F HA 0.204 4.731 4.527 0.000 0.000 0.298 22 F C 2.217 177.720 175.800 -0.496 0.000 1.090 22 F CA 1.193 58.726 58.000 -0.778 0.000 1.323 22 F CB -0.608 38.229 39.000 -0.271 0.000 1.028 22 F HN 0.168 nan 8.300 nan 0.000 0.492 23 R N 0.343 120.614 120.500 -0.382 0.000 2.062 23 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 23 R C 1.819 177.923 176.300 -0.326 0.000 1.136 23 R CA 2.098 57.986 56.100 -0.353 0.000 0.948 23 R CB -0.656 29.533 30.300 -0.185 0.000 0.845 23 R HN 0.154 nan 8.270 nan 0.000 0.430 24 D N 0.468 120.693 120.400 -0.291 0.000 2.117 24 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 24 D C 1.585 177.737 176.300 -0.246 0.000 0.987 24 D CA 1.047 54.908 54.000 -0.231 0.000 0.829 24 D CB -0.439 40.242 40.800 -0.198 0.000 0.961 24 D HN 0.337 nan 8.370 nan 0.000 0.460 25 N N 0.062 118.534 118.700 -0.380 0.000 2.270 25 N HA -0.050 4.690 4.740 -0.000 0.000 0.181 25 N C 1.722 177.109 175.510 -0.205 0.000 1.016 25 N CA 0.577 53.434 53.050 -0.322 0.000 0.870 25 N CB 0.020 38.062 38.487 -0.743 0.000 0.979 25 N HN 0.156 nan 8.380 nan 0.000 0.431 26 M N 0.896 120.279 119.600 -0.362 0.000 2.349 26 M HA -0.028 4.452 4.480 -0.000 0.000 0.266 26 M C 2.012 178.213 176.300 -0.165 0.000 1.076 26 M CA 0.768 55.916 55.300 -0.253 0.000 1.126 26 M CB -0.615 31.675 32.600 -0.516 0.000 1.392 26 M HN 0.041 nan 8.290 nan 0.000 0.440 27 K N 0.752 121.047 120.400 -0.176 0.000 2.147 27 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 27 K C 1.817 178.367 176.600 -0.082 0.000 1.049 27 K CA 1.216 57.432 56.287 -0.119 0.000 0.936 27 K CB 0.229 32.661 32.500 -0.114 0.000 0.722 27 K HN 0.257 nan 8.250 nan 0.000 0.446 28 K N 0.113 120.470 120.400 -0.072 0.000 2.044 28 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 28 K C 2.109 178.663 176.600 -0.076 0.000 1.049 28 K CA 1.470 57.726 56.287 -0.052 0.000 0.945 28 K CB 0.007 32.493 32.500 -0.022 0.000 0.724 28 K HN 0.140 nan 8.250 nan 0.000 0.440 29 V N -0.651 119.198 119.914 -0.108 0.000 2.407 29 V HA 0.006 4.126 4.120 -0.000 0.000 0.245 29 V C 0.958 176.973 176.094 -0.133 0.000 1.041 29 V CA 0.715 62.865 62.300 -0.251 0.000 1.040 29 V CB -0.313 31.187 31.823 -0.539 0.000 0.671 29 V HN 0.128 nan 8.190 nan 0.000 0.455 30 L N 2.944 124.125 121.223 -0.070 0.000 2.495 30 L HA 0.605 4.945 4.340 -0.000 0.000 0.248 30 L C -1.852 174.998 176.870 -0.033 0.000 1.229 30 L CA -1.501 53.323 54.840 -0.025 0.000 0.942 30 L CB 1.456 43.518 42.059 0.005 0.000 1.242 30 L HN 0.050 nan 8.230 nan 0.000 0.484 31 P HA 0.264 nan 4.420 nan 0.000 0.244 31 P C -0.021 177.270 177.300 -0.016 0.000 1.191 31 P CA 0.290 63.373 63.100 -0.029 0.000 0.829 31 P CB 0.915 32.598 31.700 -0.029 0.000 1.008 32 A N -0.451 122.366 122.820 -0.006 0.000 2.393 32 A HA 0.642 4.962 4.320 -0.000 0.000 0.306 32 A C 0.554 178.144 177.584 0.010 0.000 1.050 32 A CA -0.215 51.823 52.037 0.002 0.000 0.724 32 A CB 0.841 19.843 19.000 0.004 0.000 1.248 32 A HN 0.138 nan 8.150 nan 0.000 0.424 33 G N 0.518 109.326 108.800 0.013 0.000 2.256 33 G HA2 0.389 4.349 3.960 -0.000 0.000 0.272 33 G HA3 0.389 4.349 3.960 -0.000 0.000 0.272 33 G C 0.698 175.613 174.900 0.025 0.000 1.076 33 G CA 0.478 45.591 45.100 0.022 0.000 0.882 33 G HN 2.679 nan 8.290 nan 0.000 0.497 34 G N -0.697 108.112 108.800 0.015 0.000 2.405 34 G HA2 0.629 4.589 3.960 -0.000 0.000 0.312 34 G HA3 0.629 4.589 3.960 -0.000 0.000 0.312 34 G C -2.906 171.992 174.900 -0.004 0.000 1.579 34 G CA -0.196 44.912 45.100 0.013 0.000 0.933 34 G HN 0.314 nan 8.290 nan 0.000 0.628 35 P HA 0.621 nan 4.420 nan 0.000 0.279 35 P C 0.402 177.682 177.300 -0.034 0.000 1.252 35 P CA -0.225 62.870 63.100 -0.009 0.000 0.811 35 P CB 1.418 33.124 31.700 0.010 0.000 1.035 36 A N 1.325 124.121 122.820 -0.040 0.000 2.267 36 A HA 0.510 4.830 4.320 -0.000 0.000 0.271 36 A C -0.363 177.187 177.584 -0.056 0.000 1.131 36 A CA -0.138 51.857 52.037 -0.070 0.000 0.818 36 A CB 0.045 19.010 19.000 -0.059 0.000 1.118 36 A HN 0.357 nan 8.150 nan 0.000 0.501 37 V N -0.379 119.486 119.914 -0.081 0.000 2.823 37 V HA 0.708 4.828 4.120 -0.000 0.000 0.312 37 V C 0.035 176.133 176.094 0.007 0.000 1.072 37 V CA 0.084 62.373 62.300 -0.019 0.000 0.937 37 V CB 1.893 33.657 31.823 -0.097 0.000 1.013 37 V HN 1.243 nan 8.190 nan 0.000 0.430 38 T N -0.375 114.221 114.554 0.071 0.000 2.916 38 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 38 T C -0.759 174.008 174.700 0.112 0.000 1.031 38 T CA -0.583 61.553 62.100 0.060 0.000 0.993 38 T CB 1.204 70.095 68.868 0.039 0.000 1.045 38 T HN 0.686 nan 8.240 nan 0.000 0.454 39 c N 3.606 122.261 118.600 0.093 0.000 2.246 39 c HA 0.681 5.251 4.570 -0.000 0.000 0.329 39 c C 0.361 174.506 174.090 0.091 0.000 1.221 39 c CA -0.856 55.547 56.329 0.123 0.000 1.697 39 c CB -0.691 41.879 42.510 0.100 0.000 2.312 39 c HN 0.789 nan 8.230 nan 0.000 0.509 40 V N 4.565 124.542 119.914 0.104 0.000 2.398 40 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 40 V C 0.356 176.495 176.094 0.076 0.000 1.026 40 V CA -0.408 61.933 62.300 0.069 0.000 0.868 40 V CB 1.287 33.141 31.823 0.052 0.000 0.982 40 V HN 0.881 nan 8.190 nan 0.000 0.443 41 R N 4.831 125.364 120.500 0.055 0.000 2.500 41 R HA 0.638 4.978 4.340 -0.000 0.000 0.277 41 R C -0.665 175.661 176.300 0.042 0.000 1.026 41 R CA -0.352 55.779 56.100 0.053 0.000 1.058 41 R CB 0.853 31.174 30.300 0.034 0.000 1.078 41 R HN 0.574 nan 8.270 nan 0.000 0.509 42 K N 2.973 123.400 120.400 0.045 0.000 2.555 42 K HA 0.161 4.481 4.320 -0.000 0.000 0.279 42 K C 0.074 176.689 176.600 0.026 0.000 0.986 42 K CA -0.867 55.442 56.287 0.036 0.000 0.880 42 K CB 1.363 33.891 32.500 0.047 0.000 1.474 42 K HN 0.537 nan 8.250 nan 0.000 0.433 43 M N 0.820 120.428 119.600 0.013 0.000 2.099 43 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 43 M C 0.586 176.876 176.300 -0.017 0.000 1.067 43 M CA 1.629 56.924 55.300 -0.008 0.000 1.124 43 M CB 0.089 32.682 32.600 -0.011 0.000 1.353 43 M HN 0.698 nan 8.290 nan 0.000 0.410 44 S N -3.436 112.277 115.700 0.023 0.000 2.638 44 S HA 0.338 4.808 4.470 -0.000 0.000 0.274 44 S C 0.483 175.182 174.600 0.164 0.000 1.157 44 S CA -0.833 57.399 58.200 0.052 0.000 0.826 44 S CB 0.380 63.609 63.200 0.048 0.000 1.139 44 S HN 0.428 nan 8.310 nan 0.000 0.474 45 H N 0.800 119.956 119.070 0.143 0.000 2.387 45 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 45 H C -1.015 174.321 175.328 0.013 0.000 1.099 45 H CA 1.559 57.670 56.048 0.106 0.000 1.315 45 H CB -0.883 28.994 29.762 0.192 0.000 1.380 45 H HN 0.442 nan 8.280 nan 0.000 0.513 46 P HA -0.117 nan 4.420 nan 0.000 0.223 46 P C 1.053 178.369 177.300 0.027 0.000 1.151 46 P CA 1.249 64.367 63.100 0.029 0.000 0.787 46 P CB 0.095 31.809 31.700 0.024 0.000 0.788 47 E N -1.390 118.841 120.200 0.051 0.000 2.170 47 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 47 E C 1.408 178.023 176.600 0.025 0.000 0.981 47 E CA 0.684 57.103 56.400 0.033 0.000 0.830 47 E CB -0.363 29.358 29.700 0.036 0.000 0.775 47 E HN 0.099 nan 8.360 nan 0.000 0.470 48 c N 0.829 119.455 118.600 0.042 0.000 2.440 48 c HA -0.079 4.491 4.570 -0.000 0.000 0.278 48 c C 2.339 176.402 174.090 -0.045 0.000 1.295 48 c CA 0.067 56.401 56.329 0.007 0.000 1.738 48 c CB -0.704 41.826 42.510 0.033 0.000 1.987 48 c HN 0.517 nan 8.230 nan 0.000 0.492 49 I N 1.283 121.822 120.570 -0.051 0.000 2.202 49 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 49 I C 2.557 178.656 176.117 -0.031 0.000 1.091 49 I CA 1.546 62.806 61.300 -0.068 0.000 1.368 49 I CB -1.500 36.457 38.000 -0.072 0.000 1.058 49 I HN 0.378 nan 8.210 nan 0.000 0.410 50 R N 0.862 121.353 120.500 -0.015 0.000 2.097 50 R HA -0.196 4.144 4.340 -0.000 0.000 0.236 50 R C 1.887 178.189 176.300 0.004 0.000 1.135 50 R CA 1.857 57.944 56.100 -0.021 0.000 0.934 50 R CB -0.442 29.844 30.300 -0.023 0.000 0.846 50 R HN 0.360 nan 8.270 nan 0.000 0.431 51 D N 0.387 120.792 120.400 0.009 0.000 2.263 51 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 51 D C 1.801 178.104 176.300 0.004 0.000 0.971 51 D CA 0.929 54.941 54.000 0.019 0.000 0.867 51 D CB -0.048 40.757 40.800 0.009 0.000 0.929 51 D HN 0.292 nan 8.370 nan 0.000 0.492 52 I N 0.324 120.880 120.570 -0.023 0.000 2.546 52 I HA -0.168 4.002 4.170 -0.000 0.000 0.255 52 I C 2.033 178.136 176.117 -0.023 0.000 1.163 52 I CA 0.567 61.837 61.300 -0.049 0.000 1.457 52 I CB 0.054 37.999 38.000 -0.092 0.000 1.092 52 I HN -0.124 nan 8.210 nan 0.000 0.434 53 S N 0.711 116.423 115.700 0.019 0.000 2.414 53 S HA 0.029 4.499 4.470 -0.000 0.000 0.227 53 S C 2.035 176.675 174.600 0.067 0.000 1.022 53 S CA 1.015 59.253 58.200 0.064 0.000 0.958 53 S CB -0.009 63.267 63.200 0.126 0.000 0.797 53 S HN 0.499 nan 8.310 nan 0.000 0.493 54 A N 1.203 124.085 122.820 0.104 0.000 2.238 54 A HA 0.174 4.494 4.320 -0.000 0.000 0.208 54 A C 0.999 178.560 177.584 -0.039 0.000 1.177 54 A CA 0.254 52.303 52.037 0.021 0.000 0.804 54 A CB -0.327 18.739 19.000 0.110 0.000 0.823 54 A HN 0.452 nan 8.150 nan 0.000 0.482 55 N N -1.437 117.245 118.700 -0.029 0.000 2.882 55 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 55 N C 0.629 176.123 175.510 -0.027 0.000 1.079 55 N CA 1.415 54.443 53.050 -0.037 0.000 0.800 55 N CB -1.212 37.247 38.487 -0.048 0.000 1.124 55 N HN 0.708 nan 8.380 nan 0.000 0.557 56 K N -0.730 119.659 120.400 -0.017 0.000 2.211 56 K HA 0.146 4.466 4.320 -0.000 0.000 0.201 56 K C 0.875 177.466 176.600 -0.016 0.000 1.052 56 K CA 1.066 57.346 56.287 -0.011 0.000 0.973 56 K CB 0.596 33.096 32.500 -0.000 0.000 0.766 56 K HN 0.058 nan 8.250 nan 0.000 0.466 57 V N 0.577 120.472 119.914 -0.031 0.000 3.164 57 V HA 0.167 4.287 4.120 -0.000 0.000 0.313 57 V C -0.254 175.794 176.094 -0.076 0.000 1.188 57 V CA -0.715 61.555 62.300 -0.049 0.000 1.058 57 V CB 1.975 33.758 31.823 -0.067 0.000 1.110 57 V HN -0.054 nan 8.190 nan 0.000 0.453 58 D N -0.190 120.141 120.400 -0.116 0.000 2.504 58 D HA 0.541 5.181 4.640 -0.000 0.000 0.276 58 D C 0.238 176.394 176.300 -0.240 0.000 1.073 58 D CA 1.038 54.958 54.000 -0.133 0.000 0.905 58 D CB 1.266 42.017 40.800 -0.082 0.000 1.350 58 D HN 0.750 nan 8.370 nan 0.000 0.496 59 A N 0.241 122.808 122.820 -0.422 0.000 2.604 59 A HA 0.676 4.996 4.320 -0.000 0.000 0.295 59 A C -1.657 175.248 177.584 -1.132 0.000 1.067 59 A CA -0.587 51.023 52.037 -0.711 0.000 0.683 59 A CB 1.975 20.481 19.000 -0.823 0.000 1.281 59 A HN -0.021 nan 8.150 nan 0.000 0.407 60 V N 0.307 119.680 119.914 -0.901 0.000 3.204 60 V HA 0.751 4.871 4.120 -0.000 0.000 0.298 60 V C -1.063 174.803 176.094 -0.381 0.000 1.328 60 V CA -0.224 61.679 62.300 -0.662 0.000 1.035 60 V CB 2.587 34.178 31.823 -0.386 0.000 1.095 60 V HN 1.101 nan 8.190 nan 0.000 0.442 61 T N 4.767 119.236 114.554 -0.141 0.000 2.801 61 T HA 0.630 4.980 4.350 -0.000 0.000 0.306 61 T C -0.315 174.339 174.700 -0.075 0.000 1.020 61 T CA -0.151 61.920 62.100 -0.049 0.000 0.948 61 T CB 0.691 69.540 68.868 -0.032 0.000 0.962 61 T HN 0.996 nan 8.240 nan 0.000 0.465 62 V N 0.025 119.827 119.914 -0.187 0.000 3.181 62 V HA 0.676 4.796 4.120 -0.000 0.000 0.314 62 V C -0.348 175.534 176.094 -0.353 0.000 1.173 62 V CA -1.309 60.809 62.300 -0.303 0.000 1.052 62 V CB 1.774 33.314 31.823 -0.472 0.000 1.123 62 V HN 0.529 nan 8.190 nan 0.000 0.454 63 D N 0.790 120.909 120.400 -0.468 0.000 2.336 63 D HA 0.276 4.916 4.640 -0.000 0.000 0.249 63 D C 1.383 177.544 176.300 -0.232 0.000 1.213 63 D CA 0.673 54.453 54.000 -0.365 0.000 0.870 63 D CB 1.383 42.096 40.800 -0.146 0.000 1.076 63 D HN 0.878 nan 8.370 nan 0.000 0.483 64 G N 3.358 112.088 108.800 -0.116 0.000 2.549 64 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.222 64 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.222 64 G C 1.393 176.192 174.900 -0.169 0.000 1.100 64 G CA 0.974 45.999 45.100 -0.124 0.000 0.739 64 G HN 0.609 nan 8.290 nan 0.000 0.577 65 A N 0.485 123.220 122.820 -0.142 0.000 1.933 65 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 65 A C 2.382 179.959 177.584 -0.013 0.000 1.175 65 A CA 1.262 53.287 52.037 -0.019 0.000 0.628 65 A CB -0.298 18.915 19.000 0.356 0.000 0.814 65 A HN 0.386 nan 8.150 nan 0.000 0.444 66 L N -0.386 120.739 121.223 -0.163 0.000 2.141 66 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 66 L C 1.736 178.522 176.870 -0.140 0.000 1.094 66 L CA 0.674 55.389 54.840 -0.208 0.000 0.763 66 L CB -0.291 41.516 42.059 -0.420 0.000 0.908 66 L HN 0.208 nan 8.230 nan 0.000 0.437 67 V N 0.003 119.820 119.914 -0.161 0.000 3.611 67 V HA 0.036 4.156 4.120 -0.000 0.000 0.281 67 V C 1.899 177.919 176.094 -0.123 0.000 1.247 67 V CA 0.898 63.119 62.300 -0.131 0.000 1.198 67 V CB -0.830 30.906 31.823 -0.146 0.000 0.977 67 V HN 0.385 nan 8.190 nan 0.000 0.445 68 A N -0.107 122.625 122.820 -0.147 0.000 2.275 68 A HA 0.188 4.508 4.320 -0.000 0.000 0.212 68 A C 1.141 178.708 177.584 -0.028 0.000 1.201 68 A CA 0.190 52.081 52.037 -0.243 0.000 0.843 68 A CB -0.069 18.506 19.000 -0.707 0.000 0.873 68 A HN 0.455 nan 8.150 nan 0.000 0.492 69 E N -0.330 119.872 120.200 0.002 0.000 2.947 69 E HA 0.548 4.898 4.350 -0.000 0.000 0.229 69 E C 0.279 176.842 176.600 -0.062 0.000 1.158 69 E CA 0.498 56.888 56.400 -0.017 0.000 1.441 69 E CB 0.636 30.313 29.700 -0.038 0.000 1.414 69 E HN 0.375 nan 8.360 nan 0.000 0.432 70 A N 0.911 123.726 122.820 -0.009 0.000 2.622 70 A HA 0.136 4.456 4.320 -0.000 0.000 0.283 70 A C 0.168 177.789 177.584 0.061 0.000 0.998 70 A CA -0.444 51.625 52.037 0.054 0.000 0.985 70 A CB 0.027 19.038 19.000 0.018 0.000 1.236 70 A HN 0.220 nan 8.150 nan 0.000 0.559 71 D N -0.305 120.122 120.400 0.045 0.000 2.525 71 D HA 0.449 5.089 4.640 -0.000 0.000 0.229 71 D C 0.215 176.553 176.300 0.062 0.000 1.202 71 D CA -0.095 53.933 54.000 0.047 0.000 0.828 71 D CB 0.123 40.946 40.800 0.038 0.000 1.008 71 D HN 0.369 nan 8.370 nan 0.000 0.493 72 L N -0.618 120.668 121.223 0.104 0.000 2.211 72 L HA 0.612 4.952 4.340 -0.000 0.000 0.259 72 L C -2.319 174.676 176.870 0.208 0.000 1.031 72 L CA -2.765 52.162 54.840 0.145 0.000 0.877 72 L CB 1.562 43.699 42.059 0.131 0.000 1.457 72 L HN -0.205 nan 8.230 nan 0.000 0.466 73 P HA 0.092 nan 4.420 nan 0.000 0.287 73 P C -0.340 177.007 177.300 0.077 0.000 1.294 73 P CA 0.524 63.698 63.100 0.123 0.000 0.776 73 P CB 0.764 32.517 31.700 0.088 0.000 0.889 74 H N 2.534 121.513 119.070 -0.152 0.000 3.434 74 H HA -0.137 4.419 4.556 0.000 0.000 0.191 74 H C -0.439 174.612 175.328 -0.461 0.000 1.037 74 H CA 1.192 57.056 56.048 -0.307 0.000 1.187 74 H CB -2.171 27.361 29.762 -0.383 0.000 1.080 74 H HN 0.665 nan 8.280 nan 0.000 0.338 75 H N -0.932 118.195 119.070 0.094 0.000 3.058 75 H HA 0.359 4.915 4.556 0.000 0.000 0.266 75 H C 0.267 175.600 175.328 0.008 0.000 1.135 75 H CA 0.455 56.509 56.048 0.011 0.000 1.174 75 H CB 0.714 30.463 29.762 -0.023 0.000 1.581 75 H HN 0.112 nan 8.280 nan 0.000 0.553 76 S N 2.405 118.162 115.700 0.095 0.000 2.443 76 S HA 0.337 4.807 4.470 -0.000 0.000 0.284 76 S C 0.264 174.870 174.600 0.010 0.000 1.206 76 S CA -0.013 58.214 58.200 0.045 0.000 1.074 76 S CB 0.228 63.445 63.200 0.028 0.000 0.963 76 S HN 0.204 nan 8.310 nan 0.000 0.501 77 L N 3.299 124.517 121.223 -0.009 0.000 2.424 77 L HA 0.664 5.004 4.340 -0.000 0.000 0.258 77 L C -0.802 176.032 176.870 -0.060 0.000 0.995 77 L CA -1.113 53.702 54.840 -0.042 0.000 0.821 77 L CB 2.260 44.286 42.059 -0.056 0.000 1.383 77 L HN 0.495 nan 8.230 nan 0.000 0.410 78 K N 0.729 121.081 120.400 -0.080 0.000 2.469 78 K HA 0.666 4.986 4.320 -0.000 0.000 0.254 78 K C -3.002 173.517 176.600 -0.135 0.000 0.939 78 K CA -1.735 54.493 56.287 -0.098 0.000 0.812 78 K CB 1.883 34.336 32.500 -0.079 0.000 1.301 78 K HN 0.084 nan 8.250 nan 0.000 0.433 79 P HA 0.119 nan 4.420 nan 0.000 0.276 79 P C 0.106 177.284 177.300 -0.204 0.000 1.235 79 P CA -0.387 62.565 63.100 -0.247 0.000 0.772 79 P CB 0.624 32.056 31.700 -0.447 0.000 0.871 80 I N -0.649 119.838 120.570 -0.139 0.000 4.139 80 I HA 0.372 4.542 4.170 -0.000 0.000 0.320 80 I C 0.491 176.588 176.117 -0.034 0.000 1.290 80 I CA 0.163 61.411 61.300 -0.087 0.000 1.253 80 I CB 0.204 38.178 38.000 -0.043 0.000 1.122 80 I HN 0.134 nan 8.210 nan 0.000 0.421 81 M N 1.784 121.388 119.600 0.007 0.000 2.518 81 M HA 0.792 5.272 4.480 -0.000 0.000 0.300 81 M C -1.617 174.765 176.300 0.136 0.000 1.175 81 M CA -0.484 54.886 55.300 0.117 0.000 0.890 81 M CB 2.435 35.164 32.600 0.215 0.000 1.710 81 M HN 0.172 nan 8.290 nan 0.000 0.453 82 A N 2.679 125.655 122.820 0.261 0.000 2.374 82 A HA 0.702 5.022 4.320 -0.000 0.000 0.305 82 A C -1.023 176.768 177.584 0.344 0.000 1.053 82 A CA -0.699 51.544 52.037 0.344 0.000 0.726 82 A CB 0.933 20.300 19.000 0.612 0.000 1.229 82 A HN 0.813 nan 8.150 nan 0.000 0.431 83 E N 0.350 120.715 120.200 0.274 0.000 2.390 83 E HA 0.422 4.772 4.350 -0.000 0.000 0.261 83 E C -1.053 175.518 176.600 -0.049 0.000 1.076 83 E CA 0.291 56.743 56.400 0.087 0.000 0.905 83 E CB 0.801 30.523 29.700 0.037 0.000 0.984 83 E HN 0.647 nan 8.360 nan 0.000 0.427 84 Y N -0.641 119.434 120.300 -0.376 0.000 2.562 84 Y HA 0.544 5.094 4.550 -0.000 0.000 0.345 84 Y C -1.675 173.878 175.900 -0.579 0.000 1.045 84 Y CA -1.237 56.591 58.100 -0.453 0.000 1.028 84 Y CB 0.851 39.204 38.460 -0.178 0.000 1.297 84 Y HN 0.354 nan 8.280 nan 0.000 0.463 85 Y N 1.495 121.921 120.300 0.211 0.000 2.509 85 Y HA 0.742 5.292 4.550 -0.000 0.000 0.341 85 Y C 0.907 176.892 175.900 0.142 0.000 1.038 85 Y CA -0.323 57.896 58.100 0.199 0.000 1.089 85 Y CB 2.131 40.687 38.460 0.160 0.000 1.241 85 Y HN 1.127 nan 8.280 nan 0.000 0.468 86 G N 0.766 109.586 108.800 0.032 0.000 2.979 86 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.238 86 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.238 86 G C -0.275 174.350 174.900 -0.457 0.000 1.805 86 G CA 0.036 45.019 45.100 -0.196 0.000 1.389 86 G HN 0.767 nan 8.290 nan 0.000 0.517 87 S N -0.962 114.673 115.700 -0.109 0.000 2.819 87 S HA 0.623 5.093 4.470 -0.000 0.000 0.299 87 S C 0.540 175.204 174.600 0.107 0.000 1.192 87 S CA -0.001 58.176 58.200 -0.039 0.000 0.847 87 S CB 1.857 65.026 63.200 -0.051 0.000 1.224 87 S HN 0.574 nan 8.310 nan 0.000 0.537 88 K N 0.563 120.996 120.400 0.055 0.000 2.211 88 K HA 0.072 4.392 4.320 -0.000 0.000 0.201 88 K C 0.612 177.137 176.600 -0.125 0.000 1.052 88 K CA 1.039 57.302 56.287 -0.040 0.000 0.973 88 K CB -0.169 32.350 32.500 0.033 0.000 0.766 88 K HN 0.415 nan 8.250 nan 0.000 0.466 89 D N 1.492 121.852 120.400 -0.067 0.000 2.117 89 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 89 D C 0.226 176.478 176.300 -0.080 0.000 0.982 89 D CA 1.177 55.139 54.000 -0.064 0.000 0.828 89 D CB -0.004 40.775 40.800 -0.035 0.000 0.967 89 D HN 0.297 nan 8.370 nan 0.000 0.464 90 D N 0.639 120.996 120.400 -0.071 0.000 2.477 90 D HA 0.126 4.766 4.640 -0.000 0.000 0.239 90 D C -2.666 173.590 176.300 -0.075 0.000 1.102 90 D CA -1.800 52.167 54.000 -0.055 0.000 0.901 90 D CB 1.042 41.835 40.800 -0.012 0.000 1.026 90 D HN 0.071 nan 8.370 nan 0.000 0.515 91 P HA 0.155 nan 4.420 nan 0.000 0.281 91 P C -0.436 176.853 177.300 -0.019 0.000 1.286 91 P CA -0.419 62.550 63.100 -0.219 0.000 0.772 91 P CB 1.216 32.665 31.700 -0.418 0.000 0.862 92 K N 3.138 123.590 120.400 0.087 0.000 2.299 92 K HA 0.247 4.566 4.320 -0.000 0.000 0.268 92 K C 0.174 176.806 176.600 0.053 0.000 1.075 92 K CA -0.369 55.956 56.287 0.063 0.000 0.936 92 K CB 0.126 32.663 32.500 0.061 0.000 1.228 92 K HN 0.355 nan 8.250 nan 0.000 0.454 93 T N 2.619 117.258 114.554 0.142 0.000 3.273 93 T HA 0.223 4.573 4.350 -0.000 0.000 0.242 93 T C -0.265 174.604 174.700 0.282 0.000 1.228 93 T CA -0.586 61.623 62.100 0.181 0.000 1.173 93 T CB -0.546 68.384 68.868 0.103 0.000 1.134 93 T HN 0.720 nan 8.240 nan 0.000 0.635 94 H N -0.799 118.372 119.070 0.169 0.000 2.935 94 H HA 0.456 5.012 4.556 -0.000 0.000 0.297 94 H C -1.864 173.574 175.328 0.183 0.000 1.423 94 H CA -1.336 54.711 56.048 -0.001 0.000 1.161 94 H CB 0.544 30.172 29.762 -0.223 0.000 1.841 94 H HN 0.384 nan 8.280 nan 0.000 0.506 95 Y N -1.112 119.220 120.300 0.054 0.000 2.424 95 Y HA 0.523 5.073 4.550 -0.000 0.000 0.323 95 Y C -2.102 173.810 175.900 0.020 0.000 1.174 95 Y CA -1.513 56.621 58.100 0.057 0.000 1.060 95 Y CB 0.092 38.559 38.460 0.011 0.000 1.314 95 Y HN 0.542 nan 8.280 nan 0.000 0.439 96 Y N 2.098 122.651 120.300 0.421 0.000 2.411 96 Y HA 0.470 5.020 4.550 0.000 0.000 0.333 96 Y C 0.221 176.340 175.900 0.365 0.000 1.186 96 Y CA -0.563 57.692 58.100 0.258 0.000 1.381 96 Y CB 1.022 39.554 38.460 0.121 0.000 1.273 96 Y HN 0.528 nan 8.280 nan 0.000 0.546 97 V N 5.094 125.293 119.914 0.475 0.000 2.350 97 V HA 0.453 4.573 4.120 -0.000 0.000 0.276 97 V C -0.236 176.094 176.094 0.394 0.000 1.028 97 V CA -0.656 61.890 62.300 0.410 0.000 0.860 97 V CB 0.672 32.711 31.823 0.360 0.000 0.990 97 V HN 0.616 nan 8.190 nan 0.000 0.453 98 V N 2.276 122.384 119.914 0.323 0.000 3.001 98 V HA 1.020 5.140 4.120 -0.000 0.000 0.314 98 V C -0.019 176.216 176.094 0.236 0.000 1.099 98 V CA -1.079 61.390 62.300 0.282 0.000 0.989 98 V CB 1.978 33.952 31.823 0.251 0.000 1.040 98 V HN 0.921 nan 8.190 nan 0.000 0.434 99 A N 4.675 127.627 122.820 0.220 0.000 2.276 99 A HA 0.843 5.163 4.320 -0.000 0.000 0.316 99 A C -0.233 177.362 177.584 0.018 0.000 1.229 99 A CA -0.682 51.437 52.037 0.137 0.000 0.851 99 A CB 0.822 19.971 19.000 0.249 0.000 1.165 99 A HN 0.834 nan 8.150 nan 0.000 0.513 100 M N 1.435 120.968 119.600 -0.112 0.000 2.472 100 M HA 0.718 5.198 4.480 -0.000 0.000 0.331 100 M C -0.040 176.207 176.300 -0.089 0.000 1.170 100 M CA -0.137 55.106 55.300 -0.095 0.000 1.009 100 M CB 1.646 34.135 32.600 -0.185 0.000 1.672 100 M HN 0.964 nan 8.290 nan 0.000 0.453 101 A N 2.427 125.267 122.820 0.032 0.000 2.605 101 A HA 0.659 4.979 4.320 -0.000 0.000 0.294 101 A C -1.234 176.504 177.584 0.256 0.000 1.062 101 A CA -0.943 51.158 52.037 0.107 0.000 0.682 101 A CB 1.301 20.374 19.000 0.121 0.000 1.278 101 A HN 0.671 nan 8.150 nan 0.000 0.410 102 K N 0.779 121.342 120.400 0.272 0.000 2.319 102 K HA 0.377 4.697 4.320 -0.000 0.000 0.265 102 K C -0.038 176.615 176.600 0.089 0.000 1.000 102 K CA -0.090 56.332 56.287 0.225 0.000 0.943 102 K CB 0.409 33.004 32.500 0.158 0.000 0.950 102 K HN 0.507 nan 8.250 nan 0.000 0.485 103 K N 0.951 121.348 120.400 -0.005 0.000 2.312 103 K HA 0.361 4.681 4.320 -0.000 0.000 0.287 103 K C 0.605 177.182 176.600 -0.039 0.000 1.062 103 K CA 0.786 57.059 56.287 -0.024 0.000 0.934 103 K CB 0.394 32.862 32.500 -0.053 0.000 1.027 103 K HN 0.626 nan 8.250 nan 0.000 0.478 104 G N 2.074 110.844 108.800 -0.049 0.000 3.288 104 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.195 104 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.195 104 G C 0.967 175.795 174.900 -0.121 0.000 1.093 104 G CA 0.219 45.277 45.100 -0.069 0.000 0.852 104 G HN 0.640 nan 8.290 nan 0.000 0.453 105 T N 0.285 114.771 114.554 -0.114 0.000 2.881 105 T HA 0.303 4.653 4.350 -0.000 0.000 0.270 105 T C 2.355 176.675 174.700 -0.633 0.000 1.068 105 T CA 1.718 63.653 62.100 -0.275 0.000 1.131 105 T CB -0.691 68.209 68.868 0.054 0.000 0.871 105 T HN 2.249 nan 8.240 nan 0.000 0.479 106 G N 1.635 110.242 108.800 -0.321 0.000 2.395 106 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.300 106 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.300 106 G C -0.247 174.459 174.900 -0.324 0.000 0.998 106 G CA -0.087 44.853 45.100 -0.266 0.000 1.046 106 G HN 0.542 nan 8.290 nan 0.000 0.513 107 F N -0.112 119.856 119.950 0.030 0.000 2.385 107 F HA 0.548 5.075 4.527 0.000 0.000 0.336 107 F C 0.797 176.624 175.800 0.045 0.000 1.100 107 F CA -0.585 57.437 58.000 0.038 0.000 1.116 107 F CB 1.271 40.297 39.000 0.043 0.000 1.166 107 F HN 0.125 nan 8.300 nan 0.000 0.511 108 Q N 2.270 122.216 119.800 0.243 0.000 2.252 108 Q HA 0.255 4.595 4.340 -0.000 0.000 0.256 108 Q C 1.325 177.418 176.000 0.156 0.000 1.020 108 Q CA -0.836 55.060 55.803 0.155 0.000 0.913 108 Q CB 1.040 29.839 28.738 0.102 0.000 1.286 108 Q HN 0.594 nan 8.270 nan 0.000 0.480 109 L N 1.338 122.632 121.223 0.118 0.000 2.011 109 L HA -0.320 4.020 4.340 -0.000 0.000 0.225 109 L C 1.188 178.123 176.870 0.109 0.000 1.084 109 L CA 2.393 57.300 54.840 0.111 0.000 0.791 109 L CB -0.654 41.447 42.059 0.071 0.000 0.898 109 L HN 0.729 nan 8.230 nan 0.000 0.440 110 N N -0.883 117.870 118.700 0.088 0.000 2.396 110 N HA -0.164 4.576 4.740 -0.000 0.000 0.180 110 N C 0.689 176.259 175.510 0.101 0.000 1.028 110 N CA 0.269 53.366 53.050 0.077 0.000 0.893 110 N CB 0.067 38.588 38.487 0.056 0.000 0.967 110 N HN 0.423 nan 8.380 nan 0.000 0.440 111 Q N 0.628 120.509 119.800 0.136 0.000 2.283 111 Q HA 0.159 4.499 4.340 -0.000 0.000 0.223 111 Q C 0.473 176.525 176.000 0.087 0.000 0.918 111 Q CA 0.236 56.138 55.803 0.164 0.000 0.952 111 Q CB -0.031 28.902 28.738 0.325 0.000 1.030 111 Q HN 0.392 nan 8.270 nan 0.000 0.452 112 L N -0.429 120.855 121.223 0.101 0.000 2.728 112 L HA 0.232 4.572 4.340 -0.000 0.000 0.238 112 L C 0.118 177.027 176.870 0.064 0.000 1.143 112 L CA -0.234 54.684 54.840 0.129 0.000 0.937 112 L CB 0.249 42.470 42.059 0.270 0.000 1.225 112 L HN 0.105 nan 8.230 nan 0.000 0.507 113 R N 1.300 121.812 120.500 0.019 0.000 2.502 113 R HA 0.120 4.460 4.340 -0.000 0.000 0.292 113 R C 0.947 176.969 176.300 -0.462 0.000 0.998 113 R CA 0.430 56.480 56.100 -0.082 0.000 1.056 113 R CB -0.065 30.241 30.300 0.010 0.000 0.939 113 R HN 0.259 nan 8.270 nan 0.000 0.411 114 G N 3.656 111.719 108.800 -1.229 0.000 2.158 114 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 114 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 114 G C 0.091 174.796 174.900 -0.326 0.000 0.811 114 G CA 1.093 45.613 45.100 -0.967 0.000 1.178 114 G HN 0.734 nan 8.290 nan 0.000 0.389 115 K N -0.747 119.607 120.400 -0.076 0.000 2.158 115 K HA 0.666 4.986 4.320 -0.000 0.000 0.243 115 K C -0.051 176.600 176.600 0.085 0.000 1.079 115 K CA -1.243 55.025 56.287 -0.032 0.000 0.920 115 K CB 1.382 33.776 32.500 -0.177 0.000 1.400 115 K HN -0.006 nan 8.250 nan 0.000 0.561 116 K N 1.919 122.308 120.400 -0.020 0.000 2.250 116 K HA 0.148 4.468 4.320 -0.000 0.000 0.285 116 K C -0.839 175.709 176.600 -0.087 0.000 1.097 116 K CA -0.288 55.976 56.287 -0.038 0.000 0.913 116 K CB 0.872 33.336 32.500 -0.059 0.000 1.179 116 K HN 0.651 nan 8.250 nan 0.000 0.462 117 S N 0.970 116.602 115.700 -0.112 0.000 2.568 117 S HA 0.542 5.012 4.470 -0.000 0.000 0.293 117 S C -0.479 173.963 174.600 -0.263 0.000 1.089 117 S CA -0.921 57.131 58.200 -0.247 0.000 0.945 117 S CB 1.377 64.432 63.200 -0.242 0.000 1.077 117 S HN 0.489 nan 8.310 nan 0.000 0.485 118 c N 2.929 121.289 118.600 -0.400 0.000 2.408 118 c HA 0.664 5.234 4.570 -0.000 0.000 0.321 118 c C -0.258 173.627 174.090 -0.343 0.000 1.245 118 c CA -0.504 55.665 56.329 -0.267 0.000 1.523 118 c CB 0.246 42.615 42.510 -0.234 0.000 2.178 118 c HN 0.922 nan 8.230 nan 0.000 0.488 119 H N 0.981 120.078 119.070 0.046 0.000 2.621 119 H HA 0.259 4.815 4.556 -0.000 0.000 0.360 119 H C 0.956 176.294 175.328 0.018 0.000 1.163 119 H CA 0.029 56.165 56.048 0.147 0.000 1.194 119 H CB 1.880 31.803 29.762 0.269 0.000 1.649 119 H HN 0.732 nan 8.280 nan 0.000 0.532 120 T N -0.205 114.394 114.554 0.075 0.000 2.867 120 T HA 0.145 4.495 4.350 -0.000 0.000 0.268 120 T C 0.942 175.397 174.700 -0.408 0.000 1.057 120 T CA 0.742 62.699 62.100 -0.239 0.000 1.136 120 T CB 0.117 68.814 68.868 -0.286 0.000 0.874 120 T HN 0.847 nan 8.240 nan 0.000 0.466 121 G N 0.167 108.921 108.800 -0.077 0.000 2.347 121 G HA2 0.386 4.346 3.960 -0.000 0.000 0.303 121 G HA3 0.386 4.346 3.960 -0.000 0.000 0.303 121 G C -1.865 173.158 174.900 0.206 0.000 1.481 121 G CA -0.790 44.327 45.100 0.028 0.000 0.914 121 G HN 0.452 nan 8.290 nan 0.000 0.638 122 L N 1.607 122.788 121.223 -0.069 0.000 2.369 122 L HA 0.534 4.874 4.340 -0.000 0.000 0.279 122 L C 1.443 178.075 176.870 -0.397 0.000 1.108 122 L CA 2.195 56.623 54.840 -0.686 0.000 0.852 122 L CB 0.615 42.260 42.059 -0.690 0.000 1.169 122 L HN 2.281 nan 8.230 nan 0.000 0.452 123 G N 2.545 110.966 108.800 -0.632 0.000 2.176 123 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.232 123 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.232 123 G C -0.309 174.414 174.900 -0.294 0.000 0.986 123 G CA -0.080 44.776 45.100 -0.407 0.000 0.643 123 G HN 0.535 nan 8.290 nan 0.000 0.522 124 W N 1.488 122.740 121.300 -0.080 0.000 2.365 124 W HA 0.554 5.214 4.660 -0.000 0.000 0.316 124 W C 1.612 178.281 176.519 0.249 0.000 1.164 124 W CA 0.006 57.425 57.345 0.122 0.000 1.204 124 W CB 1.464 30.983 29.460 0.099 0.000 1.213 124 W HN 0.277 nan 8.180 nan 0.000 0.539 125 S N 1.307 117.372 115.700 0.609 0.000 2.414 125 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 125 S C 1.862 176.796 174.600 0.558 0.000 1.022 125 S CA 0.840 59.469 58.200 0.716 0.000 0.958 125 S CB -0.466 63.089 63.200 0.592 0.000 0.797 125 S HN 0.552 nan 8.310 nan 0.000 0.493 126 A N 1.738 124.887 122.820 0.549 0.000 1.877 126 A HA 0.286 4.606 4.320 -0.000 0.000 0.216 126 A C 2.154 179.976 177.584 0.397 0.000 1.186 126 A CA 1.463 53.793 52.037 0.487 0.000 0.620 126 A CB -1.211 18.070 19.000 0.467 0.000 0.822 126 A HN 0.762 nan 8.150 nan 0.000 0.443 127 G N -4.005 105.041 108.800 0.410 0.000 3.528 127 G HA2 0.253 4.213 3.960 -0.000 0.000 0.266 127 G HA3 0.253 4.213 3.960 -0.000 0.000 0.266 127 G C 0.823 176.035 174.900 0.519 0.000 1.004 127 G CA 0.419 45.770 45.100 0.419 0.000 0.853 127 G HN 0.538 nan 8.290 nan 0.000 0.501 128 W N -0.607 120.786 121.300 0.155 0.000 3.875 128 W HA 0.153 4.813 4.660 -0.000 0.000 0.221 128 W C 1.140 177.637 176.519 -0.036 0.000 0.947 128 W CA 0.209 57.535 57.345 -0.031 0.000 2.039 128 W CB 0.312 29.639 29.460 -0.222 0.000 0.954 128 W HN 0.140 nan 8.180 nan 0.000 0.792 129 Y N 1.209 121.657 120.300 0.248 0.000 2.184 129 Y HA -0.126 4.424 4.550 -0.000 0.000 0.290 129 Y C 2.499 178.357 175.900 -0.069 0.000 1.129 129 Y CA 1.309 59.432 58.100 0.038 0.000 1.144 129 Y CB -1.387 37.194 38.460 0.201 0.000 0.995 129 Y HN -0.296 nan 8.280 nan 0.000 0.513 130 V N 0.592 120.652 119.914 0.244 0.000 2.307 130 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 130 V C -0.489 175.601 176.094 -0.007 0.000 1.045 130 V CA 1.940 64.325 62.300 0.141 0.000 1.024 130 V CB -1.548 30.425 31.823 0.251 0.000 0.651 130 V HN 0.251 nan 8.190 nan 0.000 0.449 131 P HA -0.133 nan 4.420 nan 0.000 0.215 131 P C 1.888 179.007 177.300 -0.302 0.000 1.153 131 P CA 1.420 64.315 63.100 -0.340 0.000 0.853 131 P CB -0.047 31.200 31.700 -0.754 0.000 0.788 132 L N -0.759 120.275 121.223 -0.315 0.000 2.275 132 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 132 L C 2.307 179.038 176.870 -0.232 0.000 1.119 132 L CA 1.654 56.301 54.840 -0.322 0.000 0.790 132 L CB -0.864 40.910 42.059 -0.476 0.000 0.919 132 L HN 0.128 nan 8.230 nan 0.000 0.443 133 S N -2.475 113.118 115.700 -0.178 0.000 2.470 133 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 133 S C 1.852 176.379 174.600 -0.122 0.000 1.006 133 S CA 0.863 58.971 58.200 -0.155 0.000 0.934 133 S CB -0.286 62.824 63.200 -0.150 0.000 0.778 133 S HN 0.268 nan 8.310 nan 0.000 0.517 134 T N 3.073 117.564 114.554 -0.106 0.000 2.746 134 T HA 0.071 4.421 4.350 -0.000 0.000 0.267 134 T C 0.804 175.451 174.700 -0.089 0.000 1.039 134 T CA 1.362 63.418 62.100 -0.073 0.000 1.142 134 T CB -0.532 68.309 68.868 -0.046 0.000 0.866 134 T HN 0.671 nan 8.240 nan 0.000 0.444 135 L N 0.808 121.953 121.223 -0.129 0.000 2.502 135 L HA 0.583 4.923 4.340 -0.000 0.000 0.247 135 L C -0.373 176.367 176.870 -0.217 0.000 1.180 135 L CA -1.074 53.669 54.840 -0.161 0.000 0.956 135 L CB 0.070 42.026 42.059 -0.172 0.000 1.282 135 L HN 0.043 nan 8.230 nan 0.000 0.470 136 L N 0.064 121.178 121.223 -0.182 0.000 2.562 136 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 136 L C -2.118 174.629 176.870 -0.205 0.000 1.167 136 L CA -1.160 53.567 54.840 -0.188 0.000 0.917 136 L CB -0.814 41.154 42.059 -0.152 0.000 1.187 136 L HN 0.283 nan 8.230 nan 0.000 0.482 137 P HA 0.174 nan 4.420 nan 0.000 0.274 137 P C -0.528 176.673 177.300 -0.165 0.000 1.246 137 P CA -0.555 62.404 63.100 -0.236 0.000 0.795 137 P CB 0.846 32.388 31.700 -0.263 0.000 1.006 138 S N 0.273 115.888 115.700 -0.141 0.000 2.498 138 S HA 0.442 4.912 4.470 -0.000 0.000 0.314 138 S C 1.092 175.640 174.600 -0.086 0.000 1.141 138 S CA 0.176 58.316 58.200 -0.100 0.000 1.087 138 S CB -0.962 62.190 63.200 -0.081 0.000 1.178 138 S HN 0.951 nan 8.310 nan 0.000 0.533 139 G N 1.860 110.608 108.800 -0.087 0.000 2.231 139 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.206 139 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.206 139 G C 0.210 175.056 174.900 -0.091 0.000 0.996 139 G CA -0.386 44.669 45.100 -0.076 0.000 0.645 139 G HN 1.594 nan 8.290 nan 0.000 0.498 140 S N 0.681 116.314 115.700 -0.113 0.000 3.371 140 S HA -0.131 4.339 4.470 -0.000 0.000 0.353 140 S C 0.380 174.911 174.600 -0.115 0.000 0.849 140 S CA 1.468 59.589 58.200 -0.132 0.000 1.356 140 S CB -0.308 62.807 63.200 -0.142 0.000 1.217 140 S HN 0.846 nan 8.310 nan 0.000 0.559 141 R N 1.407 121.844 120.500 -0.105 0.000 2.867 141 R HA 0.350 4.690 4.340 -0.000 0.000 0.268 141 R C 1.286 177.549 176.300 -0.060 0.000 1.014 141 R CA -0.828 55.229 56.100 -0.071 0.000 0.946 141 R CB 1.057 31.330 30.300 -0.046 0.000 1.208 141 R HN 0.724 nan 8.270 nan 0.000 0.477 142 E N -0.998 119.202 120.200 0.001 0.000 2.340 142 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 142 E C 0.699 177.335 176.600 0.059 0.000 0.996 142 E CA 0.954 57.424 56.400 0.116 0.000 0.869 142 E CB 0.101 29.974 29.700 0.289 0.000 0.835 142 E HN 0.632 nan 8.360 nan 0.000 0.493 143 T N -1.912 112.596 114.554 -0.077 0.000 3.081 143 T HA 0.332 4.682 4.350 -0.000 0.000 0.255 143 T C 1.916 176.556 174.700 -0.100 0.000 1.113 143 T CA 0.323 62.255 62.100 -0.281 0.000 1.082 143 T CB 0.445 69.164 68.868 -0.250 0.000 0.939 143 T HN 0.230 nan 8.240 nan 0.000 0.506 144 A N 1.488 124.296 122.820 -0.020 0.000 1.970 144 A HA 0.570 4.890 4.320 -0.000 0.000 0.216 144 A C 2.592 180.221 177.584 0.075 0.000 1.170 144 A CA 1.027 53.078 52.037 0.024 0.000 0.645 144 A CB -1.005 17.981 19.000 -0.023 0.000 0.816 144 A HN 0.663 nan 8.150 nan 0.000 0.447 145 A N -0.501 122.358 122.820 0.065 0.000 2.209 145 A HA 0.380 4.700 4.320 -0.000 0.000 0.212 145 A C 2.122 179.906 177.584 0.332 0.000 1.158 145 A CA 1.299 53.462 52.037 0.209 0.000 0.742 145 A CB -0.531 18.495 19.000 0.044 0.000 0.790 145 A HN 0.855 nan 8.150 nan 0.000 0.472 146 A N -1.234 121.698 122.820 0.187 0.000 2.072 146 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 146 A C 2.031 179.767 177.584 0.252 0.000 1.156 146 A CA 1.776 53.931 52.037 0.196 0.000 0.701 146 A CB -0.355 18.661 19.000 0.027 0.000 0.816 146 A HN 0.359 nan 8.150 nan 0.000 0.458 147 T N -1.535 113.160 114.554 0.234 0.000 3.023 147 T HA 0.093 4.443 4.350 -0.000 0.000 0.249 147 T C 1.456 176.254 174.700 0.163 0.000 1.050 147 T CA 0.603 62.818 62.100 0.191 0.000 1.088 147 T CB -0.238 68.732 68.868 0.171 0.000 0.946 147 T HN 0.429 nan 8.240 nan 0.000 0.480 148 F N 1.948 121.923 119.950 0.041 0.000 2.075 148 F HA 0.242 4.769 4.527 -0.000 0.000 0.297 148 F C 0.168 175.907 175.800 -0.100 0.000 1.113 148 F CA 0.134 58.090 58.000 -0.073 0.000 1.218 148 F CB -0.423 38.479 39.000 -0.163 0.000 0.984 148 F HN 0.014 nan 8.300 nan 0.000 0.472 149 F N 0.963 120.799 119.950 -0.190 0.000 2.412 149 F HA 0.172 4.699 4.527 -0.000 0.000 0.348 149 F C 1.838 177.565 175.800 -0.122 0.000 1.102 149 F CA 0.137 57.978 58.000 -0.264 0.000 1.196 149 F CB 1.075 40.066 39.000 -0.015 0.000 1.144 149 F HN 0.017 nan 8.300 nan 0.000 0.541 150 S N 1.100 116.826 115.700 0.043 0.000 2.343 150 S HA -0.080 4.390 4.470 -0.000 0.000 0.219 150 S C 0.446 175.093 174.600 0.078 0.000 1.033 150 S CA 0.812 59.032 58.200 0.033 0.000 1.014 150 S CB -0.427 62.767 63.200 -0.010 0.000 0.915 150 S HN 0.601 nan 8.310 nan 0.000 0.435 151 S N -0.357 115.394 115.700 0.085 0.000 2.603 151 S HA 0.770 5.240 4.470 -0.000 0.000 0.274 151 S C -0.926 173.700 174.600 0.044 0.000 1.168 151 S CA -0.748 57.490 58.200 0.063 0.000 0.963 151 S CB 2.018 65.236 63.200 0.029 0.000 1.078 151 S HN 0.287 nan 8.310 nan 0.000 0.477 152 S N 0.857 116.580 115.700 0.038 0.000 2.651 152 S HA 0.692 5.162 4.470 -0.000 0.000 0.279 152 S C -1.258 173.356 174.600 0.024 0.000 1.148 152 S CA -0.807 57.398 58.200 0.008 0.000 0.837 152 S CB 1.674 64.862 63.200 -0.019 0.000 1.138 152 S HN 1.120 nan 8.310 nan 0.000 0.478 153 c N 2.796 121.417 118.600 0.035 0.000 2.317 153 c HA 0.729 5.299 4.570 -0.000 0.000 0.306 153 c C -0.865 173.296 174.090 0.118 0.000 1.087 153 c CA -0.179 56.166 56.329 0.027 0.000 1.529 153 c CB -1.840 40.616 42.510 -0.090 0.000 1.880 153 c HN 0.563 nan 8.230 nan 0.000 0.417 154 V N 8.970 128.935 119.914 0.085 0.000 2.284 154 V HA 0.350 4.470 4.120 -0.000 0.000 0.274 154 V C -2.013 174.083 176.094 0.003 0.000 1.023 154 V CA -1.218 61.106 62.300 0.041 0.000 0.808 154 V CB 1.155 32.914 31.823 -0.107 0.000 1.035 154 V HN 0.679 nan 8.190 nan 0.000 0.445 155 P HA 0.217 nan 4.420 nan 0.000 0.271 155 P C 0.766 178.111 177.300 0.076 0.000 1.238 155 P CA 0.035 63.209 63.100 0.123 0.000 0.794 155 P CB 0.424 32.310 31.700 0.311 0.000 0.959 156 c N -2.012 116.631 118.600 0.071 0.000 5.812 156 c HA -0.167 4.403 4.570 -0.000 0.000 0.308 156 c C 1.214 175.285 174.090 -0.031 0.000 2.271 156 c CA 0.514 56.869 56.329 0.043 0.000 2.025 156 c CB -2.630 39.946 42.510 0.110 0.000 3.036 156 c HN 0.850 nan 8.230 nan 0.000 0.372 157 A N 1.369 124.145 122.820 -0.073 0.000 2.440 157 A HA 0.423 4.743 4.320 -0.000 0.000 0.251 157 A C 0.283 177.864 177.584 -0.005 0.000 1.089 157 A CA 0.726 52.709 52.037 -0.090 0.000 0.779 157 A CB 0.181 19.100 19.000 -0.135 0.000 1.022 157 A HN 0.540 nan 8.150 nan 0.000 0.492 158 D N 2.613 123.030 120.400 0.029 0.000 2.348 158 D HA 0.142 4.782 4.640 -0.000 0.000 0.259 158 D C 1.255 177.625 176.300 0.118 0.000 1.296 158 D CA 0.647 54.689 54.000 0.069 0.000 0.931 158 D CB 0.708 41.558 40.800 0.083 0.000 1.067 158 D HN 0.567 nan 8.370 nan 0.000 0.503 159 G N 3.944 112.792 108.800 0.080 0.000 2.744 159 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.211 159 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.211 159 G C 1.393 176.326 174.900 0.056 0.000 1.143 159 G CA 0.095 45.246 45.100 0.085 0.000 0.788 159 G HN 0.487 nan 8.290 nan 0.000 0.534 160 K N -0.385 120.040 120.400 0.040 0.000 2.097 160 K HA 0.079 4.399 4.320 -0.000 0.000 0.205 160 K C 2.154 178.729 176.600 -0.042 0.000 1.050 160 K CA 1.033 57.322 56.287 0.003 0.000 0.938 160 K CB -0.129 32.374 32.500 0.006 0.000 0.718 160 K HN 0.352 nan 8.250 nan 0.000 0.442 161 M N -0.623 118.949 119.600 -0.047 0.000 2.534 161 M HA 0.148 4.628 4.480 -0.000 0.000 0.263 161 M C -0.586 175.352 176.300 -0.603 0.000 1.152 161 M CA 0.519 55.647 55.300 -0.287 0.000 1.145 161 M CB 0.855 33.309 32.600 -0.243 0.000 1.333 161 M HN -0.077 nan 8.290 nan 0.000 0.477 162 F N -0.192 119.770 119.950 0.020 0.000 2.564 162 F HA 0.384 4.911 4.527 -0.000 0.000 0.368 162 F C -2.182 173.634 175.800 0.027 0.000 1.127 162 F CA -1.955 56.063 58.000 0.030 0.000 1.170 162 F CB 0.456 39.481 39.000 0.042 0.000 1.397 162 F HN -0.075 nan 8.300 nan 0.000 0.493 163 P HA -0.121 nan 4.420 nan 0.000 0.216 163 P C 1.488 178.844 177.300 0.093 0.000 1.153 163 P CA 1.282 64.426 63.100 0.074 0.000 0.848 163 P CB 0.298 32.016 31.700 0.031 0.000 0.787 164 S N -0.982 114.789 115.700 0.117 0.000 2.547 164 S HA -0.049 4.421 4.470 -0.000 0.000 0.235 164 S C 1.437 176.109 174.600 0.121 0.000 0.980 164 S CA 0.477 58.744 58.200 0.111 0.000 0.941 164 S CB -0.708 62.566 63.200 0.123 0.000 0.763 164 S HN 0.034 nan 8.310 nan 0.000 0.532 165 L N -0.360 120.949 121.223 0.143 0.000 2.607 165 L HA 0.318 4.658 4.340 -0.000 0.000 0.228 165 L C 0.691 177.603 176.870 0.070 0.000 1.123 165 L CA 0.679 55.586 54.840 0.111 0.000 0.890 165 L CB 0.227 42.357 42.059 0.119 0.000 1.103 165 L HN 0.242 nan 8.230 nan 0.000 0.468 166 c N -1.263 117.377 118.600 0.067 0.000 3.226 166 c HA 0.211 4.781 4.570 -0.000 0.000 0.258 166 c C 1.969 176.078 174.090 0.032 0.000 1.688 166 c CA -0.450 55.907 56.329 0.046 0.000 1.774 166 c CB -0.205 42.335 42.510 0.050 0.000 3.167 166 c HN 0.482 nan 8.230 nan 0.000 0.509 167 Q N 0.346 120.162 119.800 0.027 0.000 2.049 167 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 167 Q C 1.334 177.322 176.000 -0.019 0.000 0.971 167 Q CA 1.253 57.063 55.803 0.012 0.000 0.833 167 Q CB 0.048 28.796 28.738 0.017 0.000 0.896 167 Q HN 0.458 nan 8.270 nan 0.000 0.434 168 L N -0.172 121.018 121.223 -0.055 0.000 2.599 168 L HA 0.004 4.344 4.340 -0.000 0.000 0.230 168 L C 0.159 176.895 176.870 -0.224 0.000 1.141 168 L CA 0.378 55.133 54.840 -0.142 0.000 0.877 168 L CB -0.115 41.832 42.059 -0.186 0.000 1.009 168 L HN 0.170 nan 8.230 nan 0.000 0.447 169 c N 1.241 119.790 118.600 -0.085 0.000 2.349 169 c HA 0.601 5.171 4.570 -0.000 0.000 0.348 169 c C 1.103 175.263 174.090 0.117 0.000 1.223 169 c CA -1.182 55.159 56.329 0.020 0.000 1.746 169 c CB -0.736 41.816 42.510 0.070 0.000 2.360 169 c HN 0.455 nan 8.230 nan 0.000 0.533 170 A N 4.002 127.001 122.820 0.299 0.000 2.621 170 A HA 0.635 4.955 4.320 -0.000 0.000 0.329 170 A C 0.712 178.400 177.584 0.174 0.000 1.458 170 A CA 0.104 52.295 52.037 0.256 0.000 1.052 170 A CB -0.118 19.105 19.000 0.373 0.000 1.142 170 A HN 1.014 nan 8.150 nan 0.000 0.523 171 G N 0.730 109.591 108.800 0.102 0.000 3.175 171 G HA2 0.567 4.527 3.960 -0.000 0.000 0.153 171 G HA3 0.567 4.527 3.960 -0.000 0.000 0.153 171 G C -0.541 174.378 174.900 0.031 0.000 1.216 171 G CA -0.420 44.712 45.100 0.053 0.000 0.943 171 G HN 0.298 nan 8.290 nan 0.000 0.611 172 K N 0.530 120.939 120.400 0.015 0.000 2.701 172 K HA 0.436 4.756 4.320 -0.000 0.000 0.212 172 K C 0.663 177.266 176.600 0.006 0.000 1.035 172 K CA 0.207 56.499 56.287 0.009 0.000 1.048 172 K CB 0.651 33.151 32.500 -0.000 0.000 1.234 172 K HN 1.063 nan 8.250 nan 0.000 0.540 173 G N 2.083 110.889 108.800 0.010 0.000 4.230 173 G HA2 -0.487 3.473 3.960 -0.000 0.000 0.340 173 G HA3 -0.487 3.473 3.960 -0.000 0.000 0.340 173 G C 0.984 175.887 174.900 0.005 0.000 1.315 173 G CA 1.507 46.612 45.100 0.007 0.000 1.033 173 G HN 0.495 nan 8.290 nan 0.000 0.741 174 T N -2.226 112.328 114.554 -0.001 0.000 3.067 174 T HA 0.265 4.615 4.350 -0.000 0.000 0.257 174 T C 1.404 176.098 174.700 -0.010 0.000 1.105 174 T CA 1.690 63.788 62.100 -0.004 0.000 1.104 174 T CB 0.169 69.033 68.868 -0.007 0.000 0.925 174 T HN 0.345 nan 8.240 nan 0.000 0.498 175 D N 1.884 122.278 120.400 -0.011 0.000 2.339 175 D HA 0.119 4.759 4.640 -0.000 0.000 0.217 175 D C 0.616 176.911 176.300 -0.009 0.000 1.050 175 D CA 0.165 54.153 54.000 -0.020 0.000 0.856 175 D CB 0.111 40.897 40.800 -0.024 0.000 0.922 175 D HN 0.711 nan 8.370 nan 0.000 0.518 176 K N -0.469 119.936 120.400 0.009 0.000 2.174 176 K HA 0.353 4.673 4.320 -0.000 0.000 0.275 176 K C 0.325 176.944 176.600 0.032 0.000 1.015 176 K CA -0.540 55.766 56.287 0.032 0.000 0.933 176 K CB 1.647 34.170 32.500 0.039 0.000 1.025 176 K HN -0.115 nan 8.250 nan 0.000 0.463 177 c N 1.764 120.397 118.600 0.056 0.000 4.365 177 c HA -0.175 4.395 4.570 -0.000 0.000 0.299 177 c C 0.690 174.797 174.090 0.028 0.000 1.409 177 c CA 0.542 56.905 56.329 0.057 0.000 2.007 177 c CB -2.488 40.049 42.510 0.045 0.000 1.264 177 c HN 0.947 nan 8.230 nan 0.000 0.777 178 A N -0.514 122.301 122.820 -0.008 0.000 2.332 178 A HA 0.515 4.835 4.320 -0.000 0.000 0.258 178 A C 0.873 178.363 177.584 -0.157 0.000 1.087 178 A CA 0.528 52.516 52.037 -0.082 0.000 0.802 178 A CB 0.336 19.261 19.000 -0.125 0.000 1.042 178 A HN 1.224 nan 8.150 nan 0.000 0.489 179 c N 1.540 120.020 118.600 -0.200 0.000 2.435 179 c HA 0.530 5.100 4.570 -0.000 0.000 0.326 179 c C 1.057 174.686 174.090 -0.768 0.000 1.328 179 c CA 0.489 56.676 56.329 -0.237 0.000 1.741 179 c CB -2.918 39.596 42.510 0.007 0.000 1.998 179 c HN 0.945 nan 8.230 nan 0.000 0.585 180 S N -1.860 113.187 115.700 -1.088 0.000 2.790 180 S HA 0.304 4.774 4.470 -0.000 0.000 0.292 180 S C 0.709 174.781 174.600 -0.880 0.000 1.197 180 S CA 0.295 57.861 58.200 -1.057 0.000 0.851 180 S CB 0.812 63.758 63.200 -0.423 0.000 1.217 180 S HN 0.070 nan 8.310 nan 0.000 0.526 181 S N -0.182 115.273 115.700 -0.409 0.000 2.469 181 S HA -0.068 4.402 4.470 -0.000 0.000 0.238 181 S C 1.646 176.159 174.600 -0.144 0.000 0.998 181 S CA 1.149 59.240 58.200 -0.183 0.000 0.957 181 S CB -0.703 62.422 63.200 -0.125 0.000 0.764 181 S HN 0.610 nan 8.310 nan 0.000 0.514 182 R N 0.654 121.055 120.500 -0.165 0.000 2.200 182 R HA -0.016 4.324 4.340 -0.000 0.000 0.234 182 R C 0.627 176.877 176.300 -0.083 0.000 1.127 182 R CA 1.084 57.121 56.100 -0.105 0.000 0.989 182 R CB -0.107 30.130 30.300 -0.104 0.000 0.869 182 R HN 0.340 nan 8.270 nan 0.000 0.459 183 E N 0.507 120.648 120.200 -0.099 0.000 2.146 183 E HA 0.135 4.485 4.350 -0.000 0.000 0.282 183 E C -2.055 174.547 176.600 0.003 0.000 0.989 183 E CA -2.847 53.544 56.400 -0.016 0.000 0.799 183 E CB 1.481 31.192 29.700 0.017 0.000 1.088 183 E HN -0.226 nan 8.360 nan 0.000 0.397 184 P HA -0.153 nan 4.420 nan 0.000 0.216 184 P C -0.511 176.654 177.300 -0.225 0.000 1.153 184 P CA 1.387 64.372 63.100 -0.191 0.000 0.858 184 P CB -0.012 31.493 31.700 -0.325 0.000 0.789 185 Y N -0.999 119.334 120.300 0.055 0.000 2.676 185 Y HA 0.440 4.990 4.550 -0.000 0.000 0.338 185 Y C 0.085 176.053 175.900 0.114 0.000 1.057 185 Y CA -0.620 57.511 58.100 0.052 0.000 1.314 185 Y CB -0.373 38.101 38.460 0.023 0.000 1.164 185 Y HN -0.133 nan 8.280 nan 0.000 0.509 186 F N 1.047 121.006 119.950 0.015 0.000 2.601 186 F HA 0.769 5.296 4.527 -0.000 0.000 0.309 186 F C 0.348 176.071 175.800 -0.129 0.000 1.089 186 F CA -0.297 57.661 58.000 -0.071 0.000 0.940 186 F CB 1.531 40.473 39.000 -0.096 0.000 1.273 186 F HN 0.581 nan 8.300 nan 0.000 0.450 187 G N 2.679 110.687 108.800 -1.320 0.000 2.752 187 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.234 187 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.234 187 G C 0.409 175.035 174.900 -0.456 0.000 1.367 187 G CA -0.141 44.343 45.100 -1.026 0.000 0.879 187 G HN 1.070 nan 8.290 nan 0.000 0.563 188 S N -0.693 114.811 115.700 -0.327 0.000 2.515 188 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 188 S C 1.417 175.885 174.600 -0.220 0.000 0.987 188 S CA 1.451 59.504 58.200 -0.244 0.000 0.936 188 S CB -0.100 62.938 63.200 -0.270 0.000 0.766 188 S HN 0.493 nan 8.310 nan 0.000 0.528 189 W N 1.630 122.781 121.300 -0.248 0.000 2.574 189 W HA 0.202 4.862 4.660 -0.000 0.000 0.282 189 W C 2.184 178.612 176.519 -0.152 0.000 1.197 189 W CA 0.826 58.055 57.345 -0.194 0.000 1.376 189 W CB -0.700 28.654 29.460 -0.177 0.000 1.091 189 W HN 0.372 nan 8.180 nan 0.000 0.569 190 G N 0.102 108.963 108.800 0.102 0.000 2.421 190 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.217 190 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.217 190 G C 1.552 176.533 174.900 0.135 0.000 1.143 190 G CA 1.025 46.169 45.100 0.074 0.000 0.784 190 G HN 0.200 nan 8.290 nan 0.000 0.541 191 A N 0.086 122.929 122.820 0.037 0.000 2.119 191 A HA 0.335 4.655 4.320 -0.000 0.000 0.216 191 A C 2.162 179.710 177.584 -0.061 0.000 1.152 191 A CA 0.624 52.671 52.037 0.017 0.000 0.708 191 A CB -0.178 18.780 19.000 -0.069 0.000 0.805 191 A HN 0.371 nan 8.150 nan 0.000 0.460 192 L N -0.916 120.238 121.223 -0.114 0.000 2.313 192 L HA 0.008 4.348 4.340 -0.000 0.000 0.214 192 L C 1.931 178.710 176.870 -0.152 0.000 1.119 192 L CA 0.940 55.655 54.840 -0.210 0.000 0.809 192 L CB -0.157 41.709 42.059 -0.321 0.000 0.933 192 L HN 0.257 nan 8.230 nan 0.000 0.449 193 K N -1.035 119.359 120.400 -0.011 0.000 2.515 193 K HA -0.096 4.224 4.320 -0.000 0.000 0.196 193 K C 1.753 178.450 176.600 0.162 0.000 1.038 193 K CA 0.793 57.122 56.287 0.070 0.000 0.967 193 K CB -0.230 32.314 32.500 0.074 0.000 0.780 193 K HN 0.452 nan 8.250 nan 0.000 0.483 194 c N 0.496 119.150 118.600 0.091 0.000 2.491 194 c HA 0.027 4.597 4.570 -0.000 0.000 0.277 194 c C 1.940 176.006 174.090 -0.039 0.000 1.455 194 c CA 0.199 56.519 56.329 -0.015 0.000 1.758 194 c CB -0.761 41.649 42.510 -0.167 0.000 1.745 194 c HN 0.337 nan 8.230 nan 0.000 0.558 195 L N -0.163 121.015 121.223 -0.074 0.000 2.286 195 L HA 0.053 4.393 4.340 -0.000 0.000 0.203 195 L C 2.622 179.545 176.870 0.088 0.000 1.068 195 L CA 1.535 56.344 54.840 -0.051 0.000 0.811 195 L CB -0.890 40.968 42.059 -0.336 0.000 0.989 195 L HN 0.191 nan 8.230 nan 0.000 0.467 196 Q N 0.053 119.872 119.800 0.031 0.000 2.050 196 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 196 Q C 1.551 177.623 176.000 0.119 0.000 0.980 196 Q CA 1.953 57.833 55.803 0.127 0.000 0.840 196 Q CB -0.347 28.429 28.738 0.063 0.000 0.898 196 Q HN 0.487 nan 8.270 nan 0.000 0.424 197 D N -0.831 119.633 120.400 0.106 0.000 2.183 197 D HA 0.113 4.753 4.640 -0.000 0.000 0.205 197 D C 0.475 176.827 176.300 0.087 0.000 0.962 197 D CA 1.192 55.257 54.000 0.109 0.000 0.849 197 D CB 0.141 41.040 40.800 0.164 0.000 0.978 197 D HN 0.422 nan 8.370 nan 0.000 0.488 198 G N -0.034 108.809 108.800 0.071 0.000 2.638 198 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.269 198 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.269 198 G C 0.671 175.578 174.900 0.013 0.000 1.141 198 G CA 0.361 45.489 45.100 0.047 0.000 1.081 198 G HN 0.224 nan 8.290 nan 0.000 0.527 199 T N -1.033 113.500 114.554 -0.034 0.000 2.990 199 T HA 0.640 4.990 4.350 -0.000 0.000 0.249 199 T C 1.093 175.722 174.700 -0.118 0.000 1.039 199 T CA 1.509 63.550 62.100 -0.099 0.000 1.036 199 T CB 0.623 69.344 68.868 -0.244 0.000 0.994 199 T HN 1.767 nan 8.240 nan 0.000 0.489 200 A N 0.608 123.358 122.820 -0.116 0.000 2.572 200 A HA 0.616 4.936 4.320 -0.000 0.000 0.295 200 A C -0.558 176.968 177.584 -0.097 0.000 1.072 200 A CA -0.623 51.340 52.037 -0.124 0.000 0.691 200 A CB 1.153 20.040 19.000 -0.189 0.000 1.291 200 A HN 0.024 nan 8.150 nan 0.000 0.404 201 D N -0.485 119.858 120.400 -0.094 0.000 2.194 201 D HA 0.166 4.806 4.640 -0.000 0.000 0.204 201 D C 0.730 176.971 176.300 -0.098 0.000 0.964 201 D CA 2.135 56.105 54.000 -0.050 0.000 0.846 201 D CB 0.167 40.917 40.800 -0.083 0.000 0.962 201 D HN 0.614 nan 8.370 nan 0.000 0.490 202 V N -2.524 117.254 119.914 -0.227 0.000 2.789 202 V HA 0.744 4.864 4.120 -0.000 0.000 0.311 202 V C -0.635 175.069 176.094 -0.649 0.000 1.073 202 V CA -0.862 61.193 62.300 -0.408 0.000 0.921 202 V CB 2.385 33.920 31.823 -0.480 0.000 1.009 202 V HN -0.216 nan 8.190 nan 0.000 0.426 203 S N 3.948 119.243 115.700 -0.676 0.000 2.774 203 S HA 0.658 5.128 4.470 -0.000 0.000 0.297 203 S C -0.855 173.396 174.600 -0.582 0.000 1.143 203 S CA -0.280 57.551 58.200 -0.615 0.000 1.090 203 S CB 0.613 63.602 63.200 -0.352 0.000 1.019 203 S HN 0.595 nan 8.310 nan 0.000 0.482 204 F N 3.448 123.288 119.950 -0.184 0.000 2.466 204 F HA 0.437 4.964 4.527 -0.000 0.000 0.363 204 F C 0.742 176.515 175.800 -0.045 0.000 1.109 204 F CA -0.570 57.386 58.000 -0.074 0.000 1.161 204 F CB 0.120 39.092 39.000 -0.045 0.000 1.117 204 F HN 0.313 nan 8.300 nan 0.000 0.539 205 V N 0.462 120.428 119.914 0.087 0.000 3.181 205 V HA 0.609 4.729 4.120 -0.000 0.000 0.308 205 V C -0.784 175.334 176.094 0.041 0.000 1.214 205 V CA -1.744 60.561 62.300 0.008 0.000 1.053 205 V CB 1.979 33.717 31.823 -0.142 0.000 1.069 205 V HN 0.603 nan 8.190 nan 0.000 0.441 206 K N 1.127 121.498 120.400 -0.048 0.000 2.202 206 K HA 0.347 4.667 4.320 -0.000 0.000 0.264 206 K C 1.104 177.589 176.600 -0.192 0.000 1.010 206 K CA 0.125 56.381 56.287 -0.052 0.000 0.940 206 K CB 0.627 32.898 32.500 -0.382 0.000 0.983 206 K HN 0.992 nan 8.250 nan 0.000 0.475 207 H N 2.604 121.581 119.070 -0.154 0.000 2.457 207 H HA -0.062 4.494 4.556 -0.000 0.000 0.294 207 H C 1.201 176.177 175.328 -0.586 0.000 1.064 207 H CA 1.217 57.078 56.048 -0.313 0.000 1.330 207 H CB 0.000 29.537 29.762 -0.375 0.000 1.395 207 H HN 0.622 nan 8.280 nan 0.000 0.541 208 L N 0.881 121.241 121.223 -1.438 0.000 2.291 208 L HA -0.052 4.288 4.340 -0.000 0.000 0.214 208 L C 2.153 178.244 176.870 -1.298 0.000 1.120 208 L CA 1.223 55.115 54.840 -1.581 0.000 0.799 208 L CB -0.073 41.210 42.059 -1.293 0.000 0.925 208 L HN 0.255 nan 8.230 nan 0.000 0.446 209 T N -1.439 112.543 114.554 -0.954 0.000 3.067 209 T HA -0.003 4.347 4.350 -0.000 0.000 0.257 209 T C 1.929 176.089 174.700 -0.901 0.000 1.105 209 T CA 0.316 61.853 62.100 -0.938 0.000 1.104 209 T CB 0.309 68.727 68.868 -0.749 0.000 0.925 209 T HN 0.012 nan 8.240 nan 0.000 0.498 210 V N 2.226 121.712 119.914 -0.714 0.000 2.270 210 V HA -0.083 4.037 4.120 -0.000 0.000 0.245 210 V C 2.007 177.900 176.094 -0.336 0.000 1.043 210 V CA 1.623 63.650 62.300 -0.454 0.000 1.014 210 V CB -0.690 30.987 31.823 -0.244 0.000 0.645 210 V HN 0.697 nan 8.190 nan 0.000 0.447 211 F N 0.248 120.061 119.950 -0.228 0.000 2.811 211 F HA 0.262 4.789 4.527 -0.000 0.000 0.301 211 F C 1.823 177.536 175.800 -0.145 0.000 1.151 211 F CA 0.656 58.576 58.000 -0.133 0.000 1.412 211 F CB -0.556 38.408 39.000 -0.060 0.000 1.113 211 F HN 0.210 nan 8.300 nan 0.000 0.579 212 E N 0.458 120.426 120.200 -0.387 0.000 2.340 212 E HA 0.297 4.647 4.350 -0.000 0.000 0.198 212 E C 1.525 177.997 176.600 -0.213 0.000 0.961 212 E CA 0.515 56.779 56.400 -0.226 0.000 0.905 212 E CB 0.199 29.678 29.700 -0.368 0.000 0.884 212 E HN 0.349 nan 8.360 nan 0.000 0.491 213 A N 0.911 123.408 122.820 -0.538 0.000 2.545 213 A HA 0.282 4.602 4.320 -0.000 0.000 0.277 213 A C 0.432 177.893 177.584 -0.205 0.000 1.301 213 A CA -0.411 51.362 52.037 -0.441 0.000 0.935 213 A CB -0.235 18.049 19.000 -1.192 0.000 1.093 213 A HN 0.222 nan 8.150 nan 0.000 0.519 214 M N 0.849 120.385 119.600 -0.107 0.000 2.188 214 M HA 0.249 4.729 4.480 -0.000 0.000 0.354 214 M C -1.673 174.657 176.300 0.050 0.000 1.342 214 M CA -1.763 53.534 55.300 -0.005 0.000 1.117 214 M CB 1.189 33.821 32.600 0.053 0.000 1.670 214 M HN -0.004 nan 8.290 nan 0.000 0.466 215 P HA -0.123 nan 4.420 nan 0.000 0.215 215 P C -0.316 177.024 177.300 0.067 0.000 1.163 215 P CA 1.440 64.588 63.100 0.080 0.000 0.894 215 P CB 0.008 31.770 31.700 0.103 0.000 0.791 216 T N -5.458 109.135 114.554 0.066 0.000 2.896 216 T HA 0.379 4.729 4.350 -0.000 0.000 0.297 216 T C 0.486 175.220 174.700 0.057 0.000 1.108 216 T CA -1.055 61.076 62.100 0.052 0.000 1.004 216 T CB 1.964 70.854 68.868 0.037 0.000 1.159 216 T HN -0.150 nan 8.240 nan 0.000 0.499 217 K N 0.516 120.945 120.400 0.049 0.000 2.360 217 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 217 K C 1.665 178.291 176.600 0.043 0.000 1.046 217 K CA 1.214 57.530 56.287 0.049 0.000 0.940 217 K CB -0.208 32.314 32.500 0.036 0.000 0.748 217 K HN 0.688 nan 8.250 nan 0.000 0.465 218 A N 0.568 123.410 122.820 0.036 0.000 2.431 218 A HA 0.032 4.352 4.320 -0.000 0.000 0.239 218 A C 0.833 178.433 177.584 0.025 0.000 1.230 218 A CA -0.123 51.930 52.037 0.027 0.000 0.928 218 A CB 0.260 19.268 19.000 0.014 0.000 1.006 218 A HN 0.097 nan 8.150 nan 0.000 0.520 219 D N 0.566 120.989 120.400 0.040 0.000 2.348 219 D HA -0.025 4.615 4.640 -0.000 0.000 0.248 219 D C 1.370 177.714 176.300 0.073 0.000 1.142 219 D CA 0.352 54.372 54.000 0.033 0.000 0.904 219 D CB 0.093 40.937 40.800 0.073 0.000 0.901 219 D HN 0.409 nan 8.370 nan 0.000 0.523 220 R N -0.626 119.919 120.500 0.075 0.000 2.335 220 R HA 0.198 4.538 4.340 -0.000 0.000 0.223 220 R C 0.249 176.590 176.300 0.068 0.000 0.940 220 R CA 0.221 56.383 56.100 0.103 0.000 1.086 220 R CB -0.216 30.145 30.300 0.102 0.000 1.073 220 R HN 0.078 nan 8.270 nan 0.000 0.504 221 D N -0.275 120.135 120.400 0.017 0.000 2.479 221 D HA -0.033 4.607 4.640 -0.000 0.000 0.216 221 D C 1.074 177.327 176.300 -0.077 0.000 1.110 221 D CA 0.095 54.087 54.000 -0.014 0.000 0.841 221 D CB 0.342 41.130 40.800 -0.019 0.000 1.040 221 D HN 0.337 nan 8.370 nan 0.000 0.505 222 Q N -0.227 119.470 119.800 -0.172 0.000 2.354 222 Q HA -0.003 4.337 4.340 -0.000 0.000 0.203 222 Q C -0.403 175.291 176.000 -0.511 0.000 0.933 222 Q CA 0.531 56.100 55.803 -0.391 0.000 0.901 222 Q CB 0.477 28.856 28.738 -0.598 0.000 1.007 222 Q HN 0.221 nan 8.270 nan 0.000 0.495 223 Y N -0.054 120.252 120.300 0.010 0.000 2.425 223 Y HA 0.443 4.993 4.550 0.000 0.000 0.344 223 Y C -0.465 175.448 175.900 0.021 0.000 0.969 223 Y CA -1.223 56.883 58.100 0.010 0.000 1.052 223 Y CB 1.951 40.410 38.460 -0.002 0.000 1.215 223 Y HN -0.107 nan 8.280 nan 0.000 0.451 224 E N 1.736 122.046 120.200 0.184 0.000 2.320 224 E HA 0.622 4.972 4.350 -0.000 0.000 0.264 224 E C -1.281 175.390 176.600 0.118 0.000 0.923 224 E CA -0.732 55.742 56.400 0.123 0.000 0.796 224 E CB 1.762 31.511 29.700 0.081 0.000 1.262 224 E HN 0.483 nan 8.360 nan 0.000 0.428 225 L N 1.217 122.504 121.223 0.108 0.000 2.352 225 L HA 0.486 4.826 4.340 -0.000 0.000 0.269 225 L C -0.757 176.174 176.870 0.103 0.000 1.034 225 L CA -1.148 53.759 54.840 0.111 0.000 0.806 225 L CB 0.581 42.718 42.059 0.130 0.000 1.244 225 L HN 0.218 nan 8.230 nan 0.000 0.447 226 L N 1.432 122.724 121.223 0.114 0.000 2.287 226 L HA 0.393 4.733 4.340 -0.000 0.000 0.287 226 L C -0.255 176.674 176.870 0.097 0.000 1.022 226 L CA 0.056 54.963 54.840 0.111 0.000 0.814 226 L CB 1.230 43.374 42.059 0.141 0.000 1.217 226 L HN 0.622 nan 8.230 nan 0.000 0.420 227 c N 2.843 121.481 118.600 0.064 0.000 2.347 227 c HA 0.318 4.888 4.570 -0.000 0.000 0.366 227 c C 2.039 176.137 174.090 0.014 0.000 1.241 227 c CA -0.892 55.454 56.329 0.027 0.000 2.360 227 c CB 0.950 43.462 42.510 0.003 0.000 2.290 227 c HN 0.801 nan 8.230 nan 0.000 0.587 228 M N 1.076 120.656 119.600 -0.032 0.000 2.374 228 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 228 M C 0.885 177.172 176.300 -0.021 0.000 1.067 228 M CA 1.355 56.634 55.300 -0.035 0.000 1.103 228 M CB -1.304 31.245 32.600 -0.085 0.000 1.402 228 M HN 0.806 nan 8.290 nan 0.000 0.444 229 D N 0.836 121.224 120.400 -0.021 0.000 2.870 229 D HA 0.045 4.685 4.640 -0.000 0.000 0.241 229 D C -0.102 176.202 176.300 0.007 0.000 1.234 229 D CA -0.010 53.984 54.000 -0.010 0.000 0.844 229 D CB -0.698 40.093 40.800 -0.015 0.000 1.051 229 D HN 0.133 nan 8.370 nan 0.000 0.469 230 N N 0.241 118.952 118.700 0.018 0.000 2.666 230 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 230 N C -0.567 174.964 175.510 0.035 0.000 1.063 230 N CA 1.628 54.698 53.050 0.034 0.000 0.750 230 N CB -0.907 37.598 38.487 0.030 0.000 0.992 230 N HN 0.537 nan 8.380 nan 0.000 0.542 231 T N -4.103 110.469 114.554 0.030 0.000 2.883 231 T HA 0.689 5.039 4.350 -0.000 0.000 0.284 231 T C 0.248 174.970 174.700 0.038 0.000 1.041 231 T CA -1.034 61.083 62.100 0.027 0.000 1.007 231 T CB 2.545 71.422 68.868 0.015 0.000 1.220 231 T HN 0.011 nan 8.240 nan 0.000 0.552 232 R N -0.452 120.068 120.500 0.033 0.000 2.902 232 R HA 0.813 5.153 4.340 -0.000 0.000 0.258 232 R C -0.619 175.701 176.300 0.033 0.000 1.071 232 R CA -1.045 55.080 56.100 0.042 0.000 1.024 232 R CB 1.808 32.131 30.300 0.038 0.000 1.184 232 R HN 0.716 nan 8.270 nan 0.000 0.492 233 R N 1.045 121.570 120.500 0.042 0.000 2.725 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.254 233 R C -2.971 173.359 176.300 0.050 0.000 1.076 233 R CA -1.589 54.532 56.100 0.035 0.000 0.940 233 R CB 2.021 32.338 30.300 0.027 0.000 1.260 233 R HN 0.363 nan 8.270 nan 0.000 0.466 234 P HA -0.089 nan 4.420 nan 0.000 0.266 234 P C 0.988 178.342 177.300 0.090 0.000 1.193 234 P CA -0.106 63.029 63.100 0.058 0.000 0.770 234 P CB 0.609 32.331 31.700 0.037 0.000 0.836 235 V N 0.899 120.889 119.914 0.127 0.000 2.568 235 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 235 V C 1.606 177.852 176.094 0.253 0.000 1.072 235 V CA 1.597 64.010 62.300 0.189 0.000 1.084 235 V CB -1.216 30.720 31.823 0.189 0.000 0.676 235 V HN 0.410 nan 8.190 nan 0.000 0.469 236 E N 1.230 121.529 120.200 0.166 0.000 2.267 236 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 236 E C 0.923 177.507 176.600 -0.027 0.000 0.998 236 E CA 1.257 57.734 56.400 0.128 0.000 0.830 236 E CB -0.181 29.551 29.700 0.054 0.000 0.751 236 E HN 0.830 nan 8.360 nan 0.000 0.491 237 E N 0.432 120.603 120.200 -0.049 0.000 2.731 237 E HA 0.084 4.434 4.350 -0.000 0.000 0.220 237 E C -0.019 176.482 176.600 -0.165 0.000 1.087 237 E CA -0.322 55.959 56.400 -0.199 0.000 1.020 237 E CB 0.145 29.783 29.700 -0.102 0.000 1.339 237 E HN 0.307 nan 8.360 nan 0.000 0.444 238 Y N -0.594 119.673 120.300 -0.056 0.000 2.523 238 Y HA 0.203 4.753 4.550 -0.000 0.000 0.279 238 Y C 1.226 176.951 175.900 -0.292 0.000 1.139 238 Y CA -0.035 58.010 58.100 -0.091 0.000 1.296 238 Y CB -0.031 38.389 38.460 -0.067 0.000 1.045 238 Y HN 0.132 nan 8.280 nan 0.000 0.538 239 E N 1.210 121.063 120.200 -0.579 0.000 2.481 239 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 239 E C 0.847 177.420 176.600 -0.046 0.000 1.047 239 E CA 0.711 56.771 56.400 -0.566 0.000 0.867 239 E CB 0.011 29.423 29.700 -0.480 0.000 0.858 239 E HN 0.810 nan 8.360 nan 0.000 0.513 240 Q N -0.645 119.172 119.800 0.028 0.000 2.084 240 Q HA 0.239 4.579 4.340 -0.000 0.000 0.230 240 Q C 0.038 176.051 176.000 0.023 0.000 0.806 240 Q CA -0.228 55.620 55.803 0.076 0.000 1.083 240 Q CB 0.543 29.283 28.738 0.003 0.000 1.208 240 Q HN 0.091 nan 8.270 nan 0.000 0.462 241 c N 1.330 119.980 118.600 0.083 0.000 3.173 241 c HA 0.504 5.074 4.570 -0.000 0.000 0.209 241 c C -1.443 172.735 174.090 0.147 0.000 1.229 241 c CA -0.528 55.824 56.329 0.037 0.000 1.109 241 c CB -0.714 41.827 42.510 0.053 0.000 1.833 241 c HN 0.564 nan 8.230 nan 0.000 0.626 242 Y N -0.015 120.332 120.300 0.078 0.000 2.536 242 Y HA 0.734 5.284 4.550 -0.000 0.000 0.347 242 Y C 0.394 176.396 175.900 0.170 0.000 1.000 242 Y CA -1.454 56.741 58.100 0.159 0.000 1.051 242 Y CB 0.706 39.304 38.460 0.230 0.000 1.259 242 Y HN 0.129 nan 8.280 nan 0.000 0.468 243 L N 1.905 123.322 121.223 0.323 0.000 2.044 243 L HA 0.341 4.681 4.340 -0.000 0.000 0.205 243 L C 0.770 177.796 176.870 0.260 0.000 1.075 243 L CA 1.153 56.116 54.840 0.205 0.000 0.747 243 L CB -0.222 41.962 42.059 0.208 0.000 0.903 243 L HN 0.887 nan 8.230 nan 0.000 0.435 244 A N -0.178 122.905 122.820 0.438 0.000 2.605 244 A HA 0.528 4.848 4.320 -0.000 0.000 0.294 244 A C -1.057 176.736 177.584 0.348 0.000 1.062 244 A CA -0.764 51.511 52.037 0.398 0.000 0.682 244 A CB 1.027 20.168 19.000 0.235 0.000 1.278 244 A HN 0.229 nan 8.150 nan 0.000 0.410 245 R N 1.188 121.772 120.500 0.141 0.000 2.247 245 R HA 0.580 4.920 4.340 -0.000 0.000 0.329 245 R C -0.303 175.846 176.300 -0.251 0.000 1.014 245 R CA -0.364 55.609 56.100 -0.213 0.000 0.907 245 R CB 0.396 30.329 30.300 -0.611 0.000 1.146 245 R HN 0.898 nan 8.270 nan 0.000 0.499 246 V N 0.333 120.090 119.914 -0.262 0.000 2.863 246 V HA 0.545 4.665 4.120 -0.000 0.000 0.307 246 V C -2.313 173.489 176.094 -0.487 0.000 1.061 246 V CA -2.643 59.447 62.300 -0.351 0.000 1.024 246 V CB 0.916 32.574 31.823 -0.276 0.000 1.049 246 V HN 0.501 nan 8.190 nan 0.000 0.471 247 P HA 0.231 nan 4.420 nan 0.000 0.274 247 P C -0.071 177.194 177.300 -0.059 0.000 1.264 247 P CA -0.013 62.917 63.100 -0.283 0.000 0.795 247 P CB 0.358 31.748 31.700 -0.517 0.000 1.064 248 S N -1.453 114.410 115.700 0.271 0.000 2.645 248 S HA 0.184 4.654 4.470 -0.000 0.000 0.266 248 S C 0.025 174.994 174.600 0.616 0.000 1.258 248 S CA -0.416 58.083 58.200 0.499 0.000 0.990 248 S CB -0.165 63.276 63.200 0.401 0.000 0.967 248 S HN 0.357 nan 8.310 nan 0.000 0.556 249 H N -0.246 119.081 119.070 0.428 0.000 2.771 249 H HA 0.363 4.919 4.556 -0.000 0.000 0.364 249 H C -0.147 175.306 175.328 0.209 0.000 1.133 249 H CA -0.486 55.750 56.048 0.314 0.000 1.423 249 H CB 0.547 30.505 29.762 0.326 0.000 1.425 249 H HN 0.285 nan 8.280 nan 0.000 0.606 250 V N 0.265 120.281 119.914 0.171 0.000 2.914 250 V HA 0.322 4.442 4.120 -0.000 0.000 0.314 250 V C -0.129 175.966 176.094 0.002 0.000 1.084 250 V CA -1.136 61.179 62.300 0.026 0.000 0.963 250 V CB 1.791 33.461 31.823 -0.256 0.000 1.025 250 V HN 0.386 nan 8.190 nan 0.000 0.432 251 V N 3.500 123.428 119.914 0.024 0.000 2.432 251 V HA 0.444 4.564 4.120 -0.000 0.000 0.271 251 V C 0.371 176.394 176.094 -0.119 0.000 1.046 251 V CA -0.111 62.173 62.300 -0.025 0.000 0.945 251 V CB 1.094 32.986 31.823 0.115 0.000 0.992 251 V HN 0.881 nan 8.190 nan 0.000 0.471 252 V N 2.625 122.425 119.914 -0.190 0.000 2.966 252 V HA 1.073 5.193 4.120 -0.000 0.000 0.317 252 V C 0.086 176.069 176.094 -0.186 0.000 1.070 252 V CA -0.460 61.731 62.300 -0.182 0.000 1.008 252 V CB 1.429 33.141 31.823 -0.185 0.000 1.070 252 V HN 1.165 nan 8.190 nan 0.000 0.457 253 A N 1.915 124.651 122.820 -0.141 0.000 2.586 253 A HA 0.668 4.988 4.320 -0.000 0.000 0.291 253 A C -0.547 176.984 177.584 -0.088 0.000 1.062 253 A CA -1.135 50.829 52.037 -0.121 0.000 0.666 253 A CB 1.106 20.044 19.000 -0.104 0.000 1.281 253 A HN 0.832 nan 8.150 nan 0.000 0.421 254 R N 1.228 121.685 120.500 -0.071 0.000 2.484 254 R HA 0.168 4.508 4.340 -0.000 0.000 0.293 254 R C 1.427 177.699 176.300 -0.047 0.000 1.023 254 R CA 0.583 56.652 56.100 -0.052 0.000 1.037 254 R CB 0.427 30.700 30.300 -0.045 0.000 0.951 254 R HN 0.874 nan 8.270 nan 0.000 0.418 255 S N 1.903 117.578 115.700 -0.042 0.000 2.380 255 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 255 S C 1.122 175.702 174.600 -0.033 0.000 1.043 255 S CA 0.876 59.053 58.200 -0.039 0.000 1.038 255 S CB -0.083 63.098 63.200 -0.032 0.000 0.872 255 S HN 0.453 nan 8.310 nan 0.000 0.456 256 V N 2.255 122.151 119.914 -0.029 0.000 2.409 256 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 256 V C -0.972 175.105 176.094 -0.028 0.000 1.020 256 V CA -0.468 61.816 62.300 -0.027 0.000 0.848 256 V CB 0.728 32.536 31.823 -0.024 0.000 0.990 256 V HN 0.480 nan 8.190 nan 0.000 0.430 257 D N 4.447 124.831 120.400 -0.025 0.000 3.133 257 D HA -0.108 4.532 4.640 -0.000 0.000 0.239 257 D C 0.526 176.808 176.300 -0.030 0.000 1.136 257 D CA 1.303 55.288 54.000 -0.025 0.000 0.898 257 D CB -1.015 39.769 40.800 -0.026 0.000 0.959 257 D HN 1.025 nan 8.370 nan 0.000 0.415 258 G N 1.608 110.390 108.800 -0.030 0.000 4.165 258 G HA2 0.242 4.202 3.960 -0.000 0.000 0.287 258 G HA3 0.242 4.202 3.960 -0.000 0.000 0.287 258 G C 0.351 175.231 174.900 -0.033 0.000 1.019 258 G CA 0.183 45.261 45.100 -0.038 0.000 0.806 258 G HN 0.332 nan 8.290 nan 0.000 0.447 259 K N 0.278 120.667 120.400 -0.019 0.000 3.167 259 K HA -0.211 4.109 4.320 -0.000 0.000 0.272 259 K C 1.204 177.805 176.600 0.003 0.000 1.137 259 K CA 0.842 57.126 56.287 -0.006 0.000 0.800 259 K CB -1.097 31.401 32.500 -0.004 0.000 1.253 259 K HN 0.604 nan 8.250 nan 0.000 0.497 260 E N 1.182 121.380 120.200 -0.003 0.000 2.049 260 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 260 E C 1.616 178.232 176.600 0.026 0.000 1.007 260 E CA 1.821 58.223 56.400 0.004 0.000 0.809 260 E CB -0.125 29.570 29.700 -0.007 0.000 0.749 260 E HN 0.586 nan 8.360 nan 0.000 0.450 261 D N 0.566 120.981 120.400 0.025 0.000 2.264 261 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 261 D C 1.739 178.070 176.300 0.051 0.000 0.966 261 D CA 0.812 54.834 54.000 0.037 0.000 0.864 261 D CB -0.168 40.649 40.800 0.028 0.000 0.933 261 D HN -0.027 nan 8.370 nan 0.000 0.499 262 S N 0.534 116.262 115.700 0.048 0.000 2.371 262 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 262 S C 2.194 176.851 174.600 0.096 0.000 1.029 262 S CA 0.455 58.690 58.200 0.059 0.000 0.978 262 S CB -0.157 63.070 63.200 0.045 0.000 0.833 262 S HN 0.321 nan 8.310 nan 0.000 0.466 263 I N 1.494 122.127 120.570 0.106 0.000 2.676 263 I HA -0.109 4.061 4.170 -0.000 0.000 0.259 263 I C 2.493 178.724 176.117 0.190 0.000 1.194 263 I CA 0.746 62.149 61.300 0.172 0.000 1.473 263 I CB -0.327 37.753 38.000 0.133 0.000 1.096 263 I HN 0.234 nan 8.210 nan 0.000 0.443 264 Q N 0.719 120.600 119.800 0.135 0.000 2.096 264 Q HA -0.119 4.221 4.340 -0.000 0.000 0.197 264 Q C 2.052 178.138 176.000 0.143 0.000 0.964 264 Q CA 1.087 56.971 55.803 0.135 0.000 0.838 264 Q CB -0.079 28.715 28.738 0.093 0.000 0.906 264 Q HN 0.499 nan 8.270 nan 0.000 0.444 265 E N 0.810 121.082 120.200 0.121 0.000 2.107 265 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 265 E C 2.120 178.803 176.600 0.137 0.000 0.982 265 E CA 0.327 56.795 56.400 0.114 0.000 0.809 265 E CB -0.089 29.662 29.700 0.084 0.000 0.756 265 E HN 0.158 nan 8.360 nan 0.000 0.459 266 L N 0.766 122.081 121.223 0.153 0.000 1.994 266 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 266 L C 2.251 179.271 176.870 0.249 0.000 1.071 266 L CA 1.441 56.381 54.840 0.167 0.000 0.745 266 L CB -0.373 41.795 42.059 0.183 0.000 0.892 266 L HN 0.050 nan 8.230 nan 0.000 0.431 267 L N -0.743 120.660 121.223 0.300 0.000 2.456 267 L HA -0.110 4.230 4.340 -0.000 0.000 0.224 267 L C 2.570 179.592 176.870 0.254 0.000 1.148 267 L CA 0.531 55.562 54.840 0.318 0.000 0.825 267 L CB -0.484 41.785 42.059 0.351 0.000 0.937 267 L HN 0.288 nan 8.230 nan 0.000 0.450 268 R N 0.299 120.929 120.500 0.216 0.000 2.073 268 R HA -0.075 4.265 4.340 -0.000 0.000 0.229 268 R C 1.922 178.338 176.300 0.193 0.000 1.120 268 R CA 1.539 57.750 56.100 0.185 0.000 0.967 268 R CB -0.531 29.858 30.300 0.148 0.000 0.862 268 R HN 0.125 nan 8.270 nan 0.000 0.436 269 V N 0.640 120.683 119.914 0.216 0.000 2.535 269 V HA 0.068 4.188 4.120 -0.000 0.000 0.246 269 V C 2.303 178.617 176.094 0.368 0.000 1.045 269 V CA 1.368 63.830 62.300 0.270 0.000 1.058 269 V CB -0.855 31.119 31.823 0.250 0.000 0.689 269 V HN 0.447 nan 8.190 nan 0.000 0.461 270 A N -0.724 122.322 122.820 0.375 0.000 2.076 270 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 270 A C 2.152 179.975 177.584 0.398 0.000 1.160 270 A CA 1.989 54.331 52.037 0.509 0.000 0.653 270 A CB -0.432 18.907 19.000 0.566 0.000 0.801 270 A HN 0.595 nan 8.150 nan 0.000 0.455 271 Q N -1.583 118.386 119.800 0.282 0.000 2.282 271 Q HA 0.034 4.374 4.340 -0.000 0.000 0.206 271 Q C 1.203 177.305 176.000 0.170 0.000 0.878 271 Q CA -0.034 55.913 55.803 0.240 0.000 0.944 271 Q CB 0.272 29.160 28.738 0.249 0.000 1.100 271 Q HN 0.534 nan 8.270 nan 0.000 0.509 272 E N -0.716 119.571 120.200 0.145 0.000 2.102 272 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 272 E C 0.967 177.439 176.600 -0.214 0.000 0.971 272 E CA 1.103 57.485 56.400 -0.030 0.000 0.821 272 E CB 0.250 29.917 29.700 -0.056 0.000 0.777 272 E HN 0.457 nan 8.360 nan 0.000 0.460 273 H N -1.848 117.200 119.070 -0.036 0.000 2.557 273 H HA 0.183 4.739 4.556 -0.000 0.000 0.281 273 H C 0.320 175.318 175.328 -0.550 0.000 0.990 273 H CA 0.464 56.309 56.048 -0.339 0.000 1.278 273 H CB 0.292 29.732 29.762 -0.536 0.000 1.451 273 H HN -0.018 nan 8.280 nan 0.000 0.516 274 F N 0.357 120.430 119.950 0.205 0.000 2.881 274 F HA 0.373 4.900 4.527 -0.000 0.000 0.343 274 F C 1.490 177.296 175.800 0.010 0.000 1.233 274 F CA -0.433 57.630 58.000 0.105 0.000 1.262 274 F CB 0.258 39.358 39.000 0.167 0.000 0.980 274 F HN 0.110 nan 8.300 nan 0.000 0.506 275 G N 0.359 109.270 108.800 0.185 0.000 2.751 275 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.142 275 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.142 275 G C -0.132 174.929 174.900 0.268 0.000 1.783 275 G CA -0.226 45.038 45.100 0.273 0.000 1.018 275 G HN 0.079 nan 8.290 nan 0.000 0.474 276 K N 0.884 121.384 120.400 0.167 0.000 2.206 276 K HA 0.244 4.564 4.320 -0.000 0.000 0.268 276 K C -0.235 176.408 176.600 0.073 0.000 1.111 276 K CA -0.060 56.288 56.287 0.101 0.000 0.955 276 K CB -0.151 32.386 32.500 0.063 0.000 1.406 276 K HN 0.443 nan 8.250 nan 0.000 0.427 277 D N 2.272 122.706 120.400 0.058 0.000 2.720 277 D HA -0.235 4.404 4.640 -0.000 0.000 0.229 277 D C 0.570 176.888 176.300 0.029 0.000 1.198 277 D CA 1.293 55.315 54.000 0.037 0.000 0.639 277 D CB -0.153 40.666 40.800 0.030 0.000 1.003 277 D HN 0.716 nan 8.370 nan 0.000 0.411 278 K N -0.688 119.725 120.400 0.021 0.000 2.098 278 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 278 K C 1.548 178.140 176.600 -0.014 0.000 1.051 278 K CA 1.030 57.316 56.287 -0.001 0.000 0.957 278 K CB 0.069 32.555 32.500 -0.023 0.000 0.738 278 K HN 0.199 nan 8.250 nan 0.000 0.447 279 S N -1.354 114.334 115.700 -0.020 0.000 2.970 279 S HA 0.096 4.566 4.470 -0.000 0.000 0.165 279 S C 1.104 175.714 174.600 0.017 0.000 0.813 279 S CA 0.750 58.941 58.200 -0.015 0.000 1.195 279 S CB 0.279 63.450 63.200 -0.048 0.000 0.633 279 S HN 0.505 nan 8.310 nan 0.000 0.543 280 S N -0.385 115.341 115.700 0.043 0.000 4.199 280 S HA 0.225 4.695 4.470 -0.000 0.000 0.180 280 S C -1.517 173.135 174.600 0.087 0.000 1.034 280 S CA 0.196 58.428 58.200 0.053 0.000 1.276 280 S CB -1.482 61.742 63.200 0.040 0.000 1.471 280 S HN 0.442 nan 8.310 nan 0.000 0.439 281 P HA 0.057 nan 4.420 nan 0.000 0.202 281 P C 0.154 177.604 177.300 0.248 0.000 1.121 281 P CA 0.961 64.169 63.100 0.180 0.000 0.939 281 P CB -0.145 31.683 31.700 0.213 0.000 0.761 282 F N 0.359 120.432 119.950 0.205 0.000 2.404 282 F HA 0.284 4.811 4.527 0.000 0.000 0.354 282 F C -0.121 175.798 175.800 0.198 0.000 1.122 282 F CA -0.848 57.244 58.000 0.153 0.000 1.080 282 F CB 0.729 39.764 39.000 0.058 0.000 1.131 282 F HN -0.127 nan 8.300 nan 0.000 0.471 283 Q N 6.956 126.437 119.800 -0.533 0.000 2.314 283 Q HA 0.210 4.550 4.340 -0.000 0.000 0.259 283 Q C 0.797 176.217 176.000 -0.966 0.000 0.951 283 Q CA -0.220 55.281 55.803 -0.505 0.000 0.909 283 Q CB 2.169 30.754 28.738 -0.255 0.000 1.236 283 Q HN 0.988 nan 8.270 nan 0.000 0.444 284 L N 1.959 122.643 121.223 -0.898 0.000 2.056 284 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 284 L C 0.648 176.851 176.870 -1.112 0.000 1.078 284 L CA 1.317 55.432 54.840 -1.208 0.000 0.749 284 L CB 0.124 41.348 42.059 -1.390 0.000 0.901 284 L HN 0.552 nan 8.230 nan 0.000 0.433 285 F N -1.211 118.493 119.950 -0.410 0.000 2.641 285 F HA 0.300 4.827 4.527 -0.000 0.000 0.302 285 F C 1.128 176.792 175.800 -0.227 0.000 1.098 285 F CA -0.175 57.644 58.000 -0.303 0.000 1.318 285 F CB 0.191 39.000 39.000 -0.318 0.000 1.035 285 F HN -0.091 nan 8.300 nan 0.000 0.551 286 G N 0.253 108.962 108.800 -0.150 0.000 3.678 286 G HA2 0.338 4.298 3.960 -0.000 0.000 0.344 286 G HA3 0.338 4.298 3.960 -0.000 0.000 0.344 286 G C -0.480 174.327 174.900 -0.154 0.000 1.450 286 G CA -0.374 44.655 45.100 -0.119 0.000 1.078 286 G HN 0.013 nan 8.290 nan 0.000 0.474 287 S N 3.402 119.024 115.700 -0.131 0.000 2.533 287 S HA 0.212 4.682 4.470 -0.000 0.000 0.282 287 S C -0.653 173.882 174.600 -0.109 0.000 1.304 287 S CA -0.710 57.415 58.200 -0.124 0.000 1.063 287 S CB 1.849 64.977 63.200 -0.121 0.000 0.881 287 S HN 0.608 nan 8.310 nan 0.000 0.493 288 P HA -0.077 nan 4.420 nan 0.000 0.197 288 P C 0.877 178.147 177.300 -0.050 0.000 1.043 288 P CA 0.913 63.974 63.100 -0.066 0.000 0.815 288 P CB -0.103 31.570 31.700 -0.044 0.000 0.666 289 H N -0.302 118.743 119.070 -0.042 0.000 2.568 289 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 289 H C 1.573 176.779 175.328 -0.203 0.000 1.033 289 H CA 0.924 56.946 56.048 -0.042 0.000 1.148 289 H CB -1.046 28.805 29.762 0.149 0.000 1.446 289 H HN 0.271 nan 8.280 nan 0.000 0.638 290 G N -0.116 108.577 108.800 -0.179 0.000 2.647 290 G HA2 0.082 4.042 3.960 -0.000 0.000 0.271 290 G HA3 0.082 4.042 3.960 -0.000 0.000 0.271 290 G C -0.633 174.040 174.900 -0.379 0.000 1.300 290 G CA -0.403 44.434 45.100 -0.438 0.000 0.997 290 G HN 0.385 nan 8.290 nan 0.000 0.533 291 E N 0.340 120.259 120.200 -0.468 0.000 2.187 291 E HA 0.285 4.635 4.350 -0.000 0.000 0.268 291 E C -0.854 175.568 176.600 -0.297 0.000 0.896 291 E CA -0.595 55.450 56.400 -0.592 0.000 0.766 291 E CB 1.641 30.590 29.700 -1.251 0.000 1.142 291 E HN 0.430 nan 8.360 nan 0.000 0.408 292 D N 1.370 121.659 120.400 -0.186 0.000 2.739 292 D HA -0.172 4.468 4.640 -0.000 0.000 0.240 292 D C -0.471 175.841 176.300 0.021 0.000 1.114 292 D CA 0.577 54.568 54.000 -0.015 0.000 0.695 292 D CB -1.367 39.461 40.800 0.047 0.000 1.078 292 D HN 0.383 nan 8.370 nan 0.000 0.434 293 L N 0.579 121.791 121.223 -0.018 0.000 2.361 293 L HA 0.222 4.562 4.340 -0.000 0.000 0.278 293 L C 2.058 178.950 176.870 0.036 0.000 1.113 293 L CA -0.341 54.503 54.840 0.007 0.000 0.849 293 L CB 0.431 42.480 42.059 -0.015 0.000 1.155 293 L HN 0.276 nan 8.230 nan 0.000 0.452 294 L N 1.739 122.984 121.223 0.037 0.000 3.737 294 L HA -0.346 3.994 4.340 -0.000 0.000 0.370 294 L C -0.271 176.429 176.870 -0.283 0.000 0.709 294 L CA 1.490 56.268 54.840 -0.103 0.000 2.983 294 L CB -1.066 40.874 42.059 -0.198 0.000 0.704 294 L HN 0.433 nan 8.230 nan 0.000 0.728 295 F N -1.397 118.577 119.950 0.040 0.000 2.643 295 F HA 0.420 4.947 4.527 -0.000 0.000 0.314 295 F C 0.649 176.515 175.800 0.110 0.000 1.096 295 F CA -0.670 57.400 58.000 0.117 0.000 0.953 295 F CB 1.340 40.379 39.000 0.065 0.000 1.345 295 F HN -0.387 nan 8.300 nan 0.000 0.468 296 T N 1.788 116.535 114.554 0.322 0.000 2.817 296 T HA 0.008 4.358 4.350 -0.000 0.000 0.295 296 T C 0.664 175.468 174.700 0.173 0.000 0.958 296 T CA -0.025 62.173 62.100 0.162 0.000 1.157 296 T CB 0.301 69.208 68.868 0.064 0.000 0.898 296 T HN 0.432 nan 8.240 nan 0.000 0.536 297 D N 3.186 123.649 120.400 0.105 0.000 2.203 297 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 297 D C 2.009 178.339 176.300 0.050 0.000 0.997 297 D CA 1.212 55.254 54.000 0.069 0.000 0.863 297 D CB -0.042 40.780 40.800 0.036 0.000 0.928 297 D HN 0.691 nan 8.370 nan 0.000 0.458 298 A N 0.407 123.257 122.820 0.050 0.000 2.167 298 A HA 0.321 4.641 4.320 -0.000 0.000 0.214 298 A C 1.342 178.998 177.584 0.120 0.000 1.151 298 A CA 0.621 52.673 52.037 0.024 0.000 0.735 298 A CB -0.152 18.764 19.000 -0.139 0.000 0.802 298 A HN 0.212 nan 8.150 nan 0.000 0.467 299 A N -0.946 121.934 122.820 0.101 0.000 2.386 299 A HA 0.400 4.720 4.320 -0.000 0.000 0.246 299 A C 0.755 177.854 177.584 -0.808 0.000 1.089 299 A CA 0.073 51.967 52.037 -0.238 0.000 0.790 299 A CB -0.008 18.792 19.000 -0.332 0.000 1.042 299 A HN 0.537 nan 8.150 nan 0.000 0.497 300 H N -0.041 118.449 119.070 -0.967 0.000 3.046 300 H HA 0.318 4.874 4.556 -0.000 0.000 0.262 300 H C 0.903 175.313 175.328 -1.530 0.000 1.044 300 H CA 0.884 56.322 56.048 -1.018 0.000 1.209 300 H CB 1.072 30.532 29.762 -0.504 0.000 1.507 300 H HN 0.913 nan 8.280 nan 0.000 0.507 301 G N 0.365 108.052 108.800 -1.854 0.000 2.341 301 G HA2 0.424 4.384 3.960 -0.000 0.000 0.299 301 G HA3 0.424 4.384 3.960 -0.000 0.000 0.299 301 G C -2.141 172.389 174.900 -0.616 0.000 1.274 301 G CA -0.771 43.607 45.100 -1.205 0.000 0.853 301 G HN 0.015 nan 8.290 nan 0.000 0.493 302 L N -0.304 120.970 121.223 0.085 0.000 2.455 302 L HA 0.739 5.079 4.340 -0.000 0.000 0.264 302 L C -1.061 176.042 176.870 0.389 0.000 0.968 302 L CA -0.575 54.438 54.840 0.289 0.000 0.827 302 L CB 2.275 44.517 42.059 0.304 0.000 1.317 302 L HN 0.635 nan 8.230 nan 0.000 0.407 303 L N 2.991 124.448 121.223 0.391 0.000 2.362 303 L HA 0.664 5.004 4.340 -0.000 0.000 0.271 303 L C -0.227 176.838 176.870 0.326 0.000 1.002 303 L CA -0.411 54.623 54.840 0.323 0.000 0.818 303 L CB 1.713 43.930 42.059 0.264 0.000 1.298 303 L HN 0.666 nan 8.230 nan 0.000 0.420 304 R N 3.936 124.578 120.500 0.237 0.000 2.370 304 R HA 0.477 4.817 4.340 -0.000 0.000 0.309 304 R C -0.408 175.925 176.300 0.055 0.000 1.059 304 R CA -0.588 55.596 56.100 0.139 0.000 0.981 304 R CB 0.065 30.426 30.300 0.102 0.000 0.972 304 R HN 0.532 nan 8.270 nan 0.000 0.437 305 V N 0.938 120.744 119.914 -0.179 0.000 2.843 305 V HA 0.246 4.366 4.120 -0.000 0.000 0.305 305 V C -2.030 173.841 176.094 -0.371 0.000 1.065 305 V CA -1.697 60.196 62.300 -0.678 0.000 1.116 305 V CB 0.099 31.521 31.823 -0.669 0.000 0.968 305 V HN 0.684 nan 8.190 nan 0.000 0.487 306 P HA 0.193 nan 4.420 nan 0.000 0.273 306 P C 0.863 178.092 177.300 -0.117 0.000 1.258 306 P CA -0.333 62.679 63.100 -0.147 0.000 0.802 306 P CB 0.385 32.033 31.700 -0.086 0.000 1.040 307 R N 0.779 121.244 120.500 -0.059 0.000 2.151 307 R HA -0.086 4.254 4.340 -0.000 0.000 0.220 307 R C 0.903 177.173 176.300 -0.049 0.000 1.120 307 R CA 1.580 57.653 56.100 -0.044 0.000 0.882 307 R CB -1.239 29.049 30.300 -0.019 0.000 0.806 307 R HN 0.405 nan 8.270 nan 0.000 0.440 308 K N 1.781 122.161 120.400 -0.033 0.000 3.358 308 K HA 0.110 4.430 4.320 -0.000 0.000 0.297 308 K C 0.280 176.862 176.600 -0.030 0.000 1.064 308 K CA 0.129 56.401 56.287 -0.026 0.000 1.144 308 K CB -1.093 31.400 32.500 -0.010 0.000 1.289 308 K HN 0.329 nan 8.250 nan 0.000 0.372 309 I N 1.303 121.842 120.570 -0.052 0.000 2.439 309 I HA 0.111 4.281 4.170 -0.000 0.000 0.283 309 I C -0.593 175.499 176.117 -0.042 0.000 1.023 309 I CA -0.684 60.590 61.300 -0.043 0.000 1.100 309 I CB 0.833 38.780 38.000 -0.088 0.000 1.238 309 I HN 0.111 nan 8.210 nan 0.000 0.445 310 D N 5.820 126.215 120.400 -0.008 0.000 2.539 310 D HA 0.087 4.727 4.640 -0.000 0.000 0.276 310 D C 0.908 177.217 176.300 0.014 0.000 1.206 310 D CA -0.564 53.427 54.000 -0.015 0.000 1.081 310 D CB 1.139 41.934 40.800 -0.009 0.000 1.142 310 D HN 0.456 nan 8.370 nan 0.000 0.595 311 I N -0.078 120.487 120.570 -0.008 0.000 2.756 311 I HA -0.173 3.997 4.170 -0.000 0.000 0.262 311 I C 1.859 177.994 176.117 0.030 0.000 1.225 311 I CA 1.157 62.458 61.300 0.000 0.000 1.472 311 I CB -0.304 37.664 38.000 -0.053 0.000 1.094 311 I HN 0.292 nan 8.210 nan 0.000 0.454 312 S N -0.251 115.468 115.700 0.031 0.000 2.425 312 S HA 0.037 4.507 4.470 -0.000 0.000 0.225 312 S C 1.854 176.500 174.600 0.076 0.000 1.024 312 S CA 0.753 58.979 58.200 0.044 0.000 0.951 312 S CB -0.204 63.023 63.200 0.045 0.000 0.796 312 S HN 0.492 nan 8.310 nan 0.000 0.498 313 L N -0.082 121.193 121.223 0.087 0.000 2.072 313 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 313 L C 2.199 179.172 176.870 0.172 0.000 1.079 313 L CA 1.337 56.242 54.840 0.108 0.000 0.752 313 L CB -0.328 41.778 42.059 0.079 0.000 0.906 313 L HN 0.292 nan 8.230 nan 0.000 0.436 314 Y N 0.367 120.700 120.300 0.055 0.000 2.070 314 Y HA -0.308 4.242 4.550 0.000 0.000 0.280 314 Y C 2.291 178.218 175.900 0.044 0.000 1.148 314 Y CA 2.094 60.255 58.100 0.102 0.000 1.125 314 Y CB -0.365 38.109 38.460 0.023 0.000 0.975 314 Y HN 0.071 nan 8.280 nan 0.000 0.492 315 L N -0.345 120.881 121.223 0.005 0.000 2.131 315 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 315 L C 1.077 177.870 176.870 -0.127 0.000 1.092 315 L CA 0.860 55.585 54.840 -0.192 0.000 0.759 315 L CB -1.162 40.774 42.059 -0.206 0.000 0.903 315 L HN 0.530 nan 8.230 nan 0.000 0.435 316 G N -2.033 106.766 108.800 -0.002 0.000 2.777 316 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.686 316 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.686 316 G C -0.230 174.752 174.900 0.137 0.000 1.177 316 G CA -0.069 45.066 45.100 0.058 0.000 0.775 316 G HN 0.132 nan 8.290 nan 0.000 0.613 317 Y N 0.992 121.312 120.300 0.033 0.000 2.256 317 Y HA -0.118 4.432 4.550 -0.000 0.000 0.288 317 Y C 2.541 178.463 175.900 0.037 0.000 1.155 317 Y CA 2.636 60.757 58.100 0.034 0.000 1.203 317 Y CB 0.173 38.645 38.460 0.019 0.000 0.980 317 Y HN 0.664 nan 8.280 nan 0.000 0.530 318 E N -0.130 120.086 120.200 0.027 0.000 2.023 318 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 318 E C 2.132 178.682 176.600 -0.083 0.000 1.003 318 E CA 1.635 57.998 56.400 -0.062 0.000 0.809 318 E CB -1.185 28.528 29.700 0.021 0.000 0.755 318 E HN 0.576 nan 8.360 nan 0.000 0.449 319 F N 1.455 121.328 119.950 -0.129 0.000 2.095 319 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 319 F C 2.266 177.990 175.800 -0.126 0.000 1.104 319 F CA 1.277 59.206 58.000 -0.119 0.000 1.232 319 F CB -0.168 38.757 39.000 -0.126 0.000 0.987 319 F HN -0.090 nan 8.300 nan 0.000 0.475 320 L N -0.874 120.375 121.223 0.044 0.000 2.291 320 L HA -0.150 4.190 4.340 -0.000 0.000 0.214 320 L C 2.370 179.166 176.870 -0.123 0.000 1.120 320 L CA 0.836 55.682 54.840 0.009 0.000 0.799 320 L CB -0.782 41.319 42.059 0.069 0.000 0.925 320 L HN 0.080 nan 8.230 nan 0.000 0.446 321 S N 0.372 115.866 115.700 -0.343 0.000 2.368 321 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 321 S C 2.217 176.662 174.600 -0.259 0.000 1.029 321 S CA 1.264 59.218 58.200 -0.410 0.000 0.988 321 S CB -0.181 62.639 63.200 -0.634 0.000 0.838 321 S HN 0.508 nan 8.310 nan 0.000 0.462 322 A N 0.400 123.057 122.820 -0.273 0.000 2.014 322 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 322 A C 1.822 179.246 177.584 -0.267 0.000 1.163 322 A CA 0.876 52.754 52.037 -0.264 0.000 0.652 322 A CB -0.644 18.177 19.000 -0.299 0.000 0.808 322 A HN 0.528 nan 8.150 nan 0.000 0.449 323 F N 0.465 120.146 119.950 -0.449 0.000 2.367 323 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 323 F C 2.088 177.734 175.800 -0.256 0.000 1.094 323 F CA 1.042 58.768 58.000 -0.456 0.000 1.409 323 F CB 0.020 38.697 39.000 -0.538 0.000 1.064 323 F HN 0.097 nan 8.300 nan 0.000 0.528 324 R N -0.179 120.202 120.500 -0.197 0.000 2.240 324 R HA 0.045 4.385 4.340 -0.000 0.000 0.203 324 R C 1.346 177.520 176.300 -0.209 0.000 1.011 324 R CA 0.695 56.677 56.100 -0.196 0.000 1.007 324 R CB -0.236 30.028 30.300 -0.060 0.000 0.911 324 R HN 0.272 nan 8.270 nan 0.000 0.468 325 N N 0.492 119.067 118.700 -0.209 0.000 2.388 325 N HA -0.012 4.728 4.740 -0.000 0.000 0.176 325 N C 1.603 177.003 175.510 -0.183 0.000 1.062 325 N CA 0.321 53.268 53.050 -0.172 0.000 0.895 325 N CB 0.391 38.786 38.487 -0.153 0.000 1.018 325 N HN 0.166 nan 8.380 nan 0.000 0.456 326 L N 1.046 122.130 121.223 -0.233 0.000 2.056 326 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 326 L C 1.783 178.553 176.870 -0.167 0.000 1.078 326 L CA 1.519 56.242 54.840 -0.195 0.000 0.749 326 L CB 0.148 42.092 42.059 -0.192 0.000 0.901 326 L HN 0.004 nan 8.230 nan 0.000 0.433 327 K N -1.671 118.588 120.400 -0.234 0.000 2.306 327 K HA 0.110 4.430 4.320 -0.000 0.000 0.200 327 K C 0.922 177.435 176.600 -0.144 0.000 1.083 327 K CA -0.200 55.982 56.287 -0.175 0.000 0.959 327 K CB 0.484 32.848 32.500 -0.226 0.000 0.994 327 K HN 0.113 nan 8.250 nan 0.000 0.492 334 Q N -0.163 119.586 119.800 -0.086 0.000 2.164 334 Q HA 0.186 4.526 4.340 -0.000 0.000 0.226 334 Q C -0.235 175.971 176.000 0.343 0.000 0.813 334 Q CA -0.104 55.774 55.803 0.125 0.000 0.978 334 Q CB 0.790 29.604 28.738 0.127 0.000 1.149 334 Q HN 0.504 nan 8.270 nan 0.000 0.489 335 R N -0.204 120.413 120.500 0.195 0.000 2.460 335 R HA 0.547 4.887 4.340 -0.000 0.000 0.303 335 R C -0.682 175.767 176.300 0.249 0.000 0.968 335 R CA -0.682 55.529 56.100 0.184 0.000 0.889 335 R CB 1.547 31.889 30.300 0.069 0.000 1.123 335 R HN -0.226 nan 8.270 nan 0.000 0.455 336 V N 3.562 123.604 119.914 0.213 0.000 2.304 336 V HA 0.140 4.260 4.120 -0.000 0.000 0.269 336 V C 0.221 176.372 176.094 0.095 0.000 1.036 336 V CA -0.573 61.845 62.300 0.196 0.000 0.840 336 V CB 0.801 32.718 31.823 0.157 0.000 1.036 336 V HN 0.683 nan 8.190 nan 0.000 0.466 337 K N 5.706 126.138 120.400 0.055 0.000 2.336 337 K HA 0.057 4.377 4.320 -0.000 0.000 0.290 337 K C -0.181 176.414 176.600 -0.008 0.000 1.067 337 K CA -0.215 56.080 56.287 0.013 0.000 0.962 337 K CB 0.303 32.797 32.500 -0.012 0.000 1.008 337 K HN 0.665 nan 8.250 nan 0.000 0.467 338 W N 5.314 126.516 121.300 -0.163 0.000 2.272 338 W HA 0.165 4.825 4.660 -0.000 0.000 0.318 338 W C -0.458 175.991 176.519 -0.117 0.000 1.255 338 W CA -0.952 56.293 57.345 -0.167 0.000 1.200 338 W CB 1.104 30.392 29.460 -0.286 0.000 1.170 338 W HN 0.471 nan 8.180 nan 0.000 0.549 339 c N 6.338 124.752 118.600 -0.310 0.000 2.325 339 c HA 0.712 5.282 4.570 -0.000 0.000 0.347 339 c C 0.327 174.421 174.090 0.007 0.000 1.263 339 c CA -0.288 55.961 56.329 -0.135 0.000 1.806 339 c CB -0.969 41.421 42.510 -0.200 0.000 2.405 339 c HN 0.585 nan 8.230 nan 0.000 0.537 340 A N 5.407 128.269 122.820 0.071 0.000 2.304 340 A HA 0.667 4.987 4.320 -0.000 0.000 0.323 340 A C -0.584 177.013 177.584 0.021 0.000 1.195 340 A CA -0.352 51.745 52.037 0.099 0.000 0.826 340 A CB 0.888 19.954 19.000 0.110 0.000 1.184 340 A HN 0.808 nan 8.150 nan 0.000 0.496 341 V N 3.066 122.984 119.914 0.006 0.000 2.304 341 V HA 0.639 4.759 4.120 -0.000 0.000 0.269 341 V C 0.838 176.911 176.094 -0.035 0.000 1.036 341 V CA 1.106 63.385 62.300 -0.035 0.000 0.840 341 V CB -0.348 31.435 31.823 -0.067 0.000 1.036 341 V HN 1.880 nan 8.190 nan 0.000 0.466 342 G N 4.583 113.365 108.800 -0.030 0.000 2.498 342 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.651 342 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.651 342 G C -0.081 174.811 174.900 -0.013 0.000 1.284 342 G CA 0.266 45.346 45.100 -0.035 0.000 0.950 342 G HN 0.606 nan 8.290 nan 0.000 0.511 343 Q N -0.592 119.195 119.800 -0.021 0.000 2.089 343 Q HA 0.128 4.468 4.340 -0.000 0.000 0.195 343 Q C 2.649 178.649 176.000 0.000 0.000 0.963 343 Q CA 2.545 58.343 55.803 -0.008 0.000 0.834 343 Q CB -0.304 28.424 28.738 -0.016 0.000 0.906 343 Q HN 0.691 nan 8.270 nan 0.000 0.452 344 Q N 0.000 119.794 119.800 -0.009 0.000 2.181 344 Q HA -0.199 4.141 4.340 -0.000 0.000 0.205 344 Q C 1.682 177.702 176.000 0.034 0.000 0.980 344 Q CA 1.550 57.359 55.803 0.010 0.000 0.862 344 Q CB -0.038 28.701 28.738 0.002 0.000 0.905 344 Q HN 0.500 nan 8.270 nan 0.000 0.429 345 E N 0.099 120.318 120.200 0.031 0.000 2.371 345 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 345 E C 1.814 178.458 176.600 0.073 0.000 1.012 345 E CA 0.138 56.573 56.400 0.059 0.000 0.860 345 E CB 0.300 30.031 29.700 0.052 0.000 0.811 345 E HN -0.010 nan 8.360 nan 0.000 0.502 346 R N 0.061 120.591 120.500 0.049 0.000 2.161 346 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 346 R C 2.094 178.420 176.300 0.043 0.000 1.055 346 R CA 1.823 57.951 56.100 0.046 0.000 0.996 346 R CB -0.617 29.699 30.300 0.026 0.000 0.901 346 R HN 0.219 nan 8.270 nan 0.000 0.456 347 T N -2.232 112.348 114.554 0.043 0.000 2.942 347 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 347 T C 1.763 176.504 174.700 0.069 0.000 1.062 347 T CA 0.871 62.996 62.100 0.041 0.000 1.139 347 T CB -0.153 68.736 68.868 0.035 0.000 0.883 347 T HN 0.207 nan 8.240 nan 0.000 0.468 348 K N -0.127 120.335 120.400 0.103 0.000 2.366 348 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 348 K C 2.193 178.932 176.600 0.233 0.000 1.044 348 K CA 0.583 56.976 56.287 0.176 0.000 0.973 348 K CB -0.345 32.255 32.500 0.166 0.000 0.767 348 K HN 0.452 nan 8.250 nan 0.000 0.475 349 c N 0.847 119.538 118.600 0.152 0.000 2.527 349 c HA 0.072 4.642 4.570 -0.000 0.000 0.280 349 c C 1.813 175.906 174.090 0.004 0.000 1.353 349 c CA 0.294 56.694 56.329 0.118 0.000 1.749 349 c CB -0.351 42.204 42.510 0.076 0.000 2.088 349 c HN 0.457 nan 8.230 nan 0.000 0.508 350 D N 0.526 120.921 120.400 -0.007 0.000 2.277 350 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 350 D C 2.285 178.527 176.300 -0.098 0.000 0.962 350 D CA 0.963 54.931 54.000 -0.054 0.000 0.865 350 D CB -0.318 40.464 40.800 -0.030 0.000 0.939 350 D HN 0.789 nan 8.370 nan 0.000 0.510 351 Q N -0.691 119.047 119.800 -0.104 0.000 2.269 351 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 351 Q C 1.982 177.678 176.000 -0.506 0.000 0.946 351 Q CA 0.412 56.090 55.803 -0.208 0.000 0.877 351 Q CB -0.479 28.196 28.738 -0.105 0.000 0.963 351 Q HN 0.217 nan 8.270 nan 0.000 0.472 352 W N 2.196 123.023 121.300 -0.788 0.000 2.518 352 W HA 0.176 4.836 4.660 -0.000 0.000 0.273 352 W C 1.456 177.617 176.519 -0.595 0.000 1.247 352 W CA 0.813 57.496 57.345 -1.103 0.000 1.288 352 W CB -0.175 28.935 29.460 -0.583 0.000 1.107 352 W HN 0.084 nan 8.180 nan 0.000 0.586 353 S N 0.351 115.892 115.700 -0.266 0.000 2.436 353 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 353 S C 2.065 176.562 174.600 -0.172 0.000 1.014 353 S CA 1.017 59.070 58.200 -0.245 0.000 0.950 353 S CB -0.446 62.644 63.200 -0.184 0.000 0.784 353 S HN 0.264 nan 8.310 nan 0.000 0.504 354 A N 1.693 124.405 122.820 -0.181 0.000 1.854 354 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 354 A C 2.396 179.907 177.584 -0.121 0.000 1.192 354 A CA 1.637 53.595 52.037 -0.132 0.000 0.611 354 A CB -1.051 17.872 19.000 -0.130 0.000 0.832 354 A HN 0.527 nan 8.150 nan 0.000 0.442 355 V N -0.912 118.876 119.914 -0.211 0.000 2.759 355 V HA -0.117 4.003 4.120 -0.000 0.000 0.256 355 V C 2.156 178.255 176.094 0.008 0.000 1.080 355 V CA 2.191 64.400 62.300 -0.152 0.000 1.101 355 V CB -1.236 30.343 31.823 -0.406 0.000 0.698 355 V HN 0.672 nan 8.190 nan 0.000 0.477 356 S N 0.105 115.795 115.700 -0.016 0.000 2.603 356 S HA 0.244 4.714 4.470 -0.000 0.000 0.229 356 S C 1.951 176.607 174.600 0.093 0.000 0.972 356 S CA 1.015 59.289 58.200 0.122 0.000 0.935 356 S CB -0.264 62.969 63.200 0.054 0.000 0.769 356 S HN 1.647 nan 8.310 nan 0.000 0.536 357 G N 1.195 110.024 108.800 0.049 0.000 2.507 357 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.240 357 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.240 357 G C 0.875 175.788 174.900 0.022 0.000 1.119 357 G CA 0.161 45.286 45.100 0.043 0.000 0.664 357 G HN 1.894 nan 8.290 nan 0.000 0.516 358 G N -1.548 107.264 108.800 0.020 0.000 3.698 358 G HA2 0.501 4.461 3.960 -0.000 0.000 0.222 358 G HA3 0.501 4.461 3.960 -0.000 0.000 0.222 358 G C 0.729 175.645 174.900 0.026 0.000 0.908 358 G CA 1.340 46.446 45.100 0.010 0.000 1.077 358 G HN 1.724 nan 8.290 nan 0.000 0.709 359 A N -0.445 122.393 122.820 0.031 0.000 2.095 359 A HA 0.730 5.050 4.320 -0.000 0.000 0.212 359 A C 0.648 178.240 177.584 0.013 0.000 1.162 359 A CA 0.753 52.824 52.037 0.056 0.000 0.753 359 A CB 0.252 19.290 19.000 0.064 0.000 0.840 359 A HN 0.861 nan 8.150 nan 0.000 0.468 360 L N -0.107 121.065 121.223 -0.085 0.000 2.376 360 L HA 0.737 5.077 4.340 -0.000 0.000 0.275 360 L C -0.033 176.712 176.870 -0.208 0.000 0.987 360 L CA -0.155 54.563 54.840 -0.203 0.000 0.828 360 L CB 1.627 43.369 42.059 -0.528 0.000 1.249 360 L HN 0.200 nan 8.230 nan 0.000 0.409 361 A N 3.353 126.106 122.820 -0.113 0.000 2.352 361 A HA 0.891 5.211 4.320 -0.000 0.000 0.299 361 A C -0.659 176.883 177.584 -0.070 0.000 1.160 361 A CA -0.470 51.515 52.037 -0.086 0.000 0.933 361 A CB 1.011 19.991 19.000 -0.032 0.000 1.387 361 A HN 0.772 nan 8.150 nan 0.000 0.487 362 c N -2.495 116.082 118.600 -0.039 0.000 3.235 362 c HA 1.023 5.593 4.570 -0.000 0.000 0.351 362 c C 0.132 174.222 174.090 -0.000 0.000 1.520 362 c CA 0.361 56.690 56.329 -0.001 0.000 1.474 362 c CB 1.500 44.008 42.510 -0.004 0.000 2.019 362 c HN 1.540 nan 8.230 nan 0.000 0.446 363 A N 0.138 122.963 122.820 0.009 0.000 2.590 363 A HA 0.691 5.011 4.320 -0.000 0.000 0.296 363 A C -1.012 176.572 177.584 -0.001 0.000 1.050 363 A CA -0.091 51.941 52.037 -0.007 0.000 0.697 363 A CB 1.122 20.105 19.000 -0.028 0.000 1.277 363 A HN 0.897 nan 8.150 nan 0.000 0.411 364 T N 1.078 115.628 114.554 -0.008 0.000 2.881 364 T HA 0.653 5.003 4.350 -0.000 0.000 0.290 364 T C -1.156 173.533 174.700 -0.018 0.000 1.000 364 T CA -0.301 61.795 62.100 -0.006 0.000 0.978 364 T CB 0.981 69.850 68.868 0.003 0.000 0.997 364 T HN 0.615 nan 8.240 nan 0.000 0.443 365 E N 2.712 122.896 120.200 -0.028 0.000 2.359 365 E HA 0.373 4.723 4.350 -0.000 0.000 0.266 365 E C 0.342 176.920 176.600 -0.037 0.000 0.920 365 E CA -0.765 55.613 56.400 -0.037 0.000 0.788 365 E CB 1.866 31.533 29.700 -0.055 0.000 1.279 365 E HN 0.633 nan 8.360 nan 0.000 0.438 366 E N 0.304 120.483 120.200 -0.035 0.000 2.122 366 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 366 E C 0.656 177.226 176.600 -0.049 0.000 0.977 366 E CA 0.911 57.293 56.400 -0.029 0.000 0.820 366 E CB 0.280 29.970 29.700 -0.018 0.000 0.770 366 E HN 0.605 nan 8.360 nan 0.000 0.462 367 T N -2.206 112.311 114.554 -0.062 0.000 2.893 367 T HA 0.362 4.712 4.350 -0.000 0.000 0.291 367 T C -2.410 172.201 174.700 -0.148 0.000 1.028 367 T CA -2.271 59.778 62.100 -0.086 0.000 0.995 367 T CB 2.475 71.314 68.868 -0.048 0.000 1.051 367 T HN -0.343 nan 8.240 nan 0.000 0.470 368 P HA -0.166 nan 4.420 nan 0.000 0.216 368 P C 1.043 178.147 177.300 -0.326 0.000 1.154 368 P CA 1.339 64.180 63.100 -0.431 0.000 0.865 368 P CB 0.059 31.162 31.700 -0.995 0.000 0.789 369 E N -0.796 119.269 120.200 -0.225 0.000 2.153 369 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 369 E C 1.598 178.163 176.600 -0.059 0.000 0.988 369 E CA 1.180 57.546 56.400 -0.057 0.000 0.811 369 E CB -0.978 28.757 29.700 0.059 0.000 0.746 369 E HN 0.324 nan 8.360 nan 0.000 0.466 370 D N -0.534 119.822 120.400 -0.072 0.000 2.178 370 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 370 D C 1.456 177.711 176.300 -0.074 0.000 0.974 370 D CA 0.665 54.630 54.000 -0.058 0.000 0.841 370 D CB -0.260 40.508 40.800 -0.053 0.000 0.953 370 D HN 0.199 nan 8.370 nan 0.000 0.478 371 c N 0.003 118.541 118.600 -0.105 0.000 2.446 371 c HA 0.007 4.577 4.570 -0.000 0.000 0.277 371 c C 2.664 176.680 174.090 -0.122 0.000 1.275 371 c CA 0.070 56.326 56.329 -0.120 0.000 1.727 371 c CB -0.823 41.596 42.510 -0.151 0.000 2.010 371 c HN 0.349 nan 8.230 nan 0.000 0.486 372 I N 1.067 121.568 120.570 -0.115 0.000 2.286 372 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 372 I C 2.684 178.754 176.117 -0.078 0.000 1.115 372 I CA 1.544 62.783 61.300 -0.100 0.000 1.392 372 I CB -0.482 37.471 38.000 -0.079 0.000 1.065 372 I HN 0.294 nan 8.210 nan 0.000 0.418 373 A N 0.763 123.547 122.820 -0.060 0.000 1.872 373 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 373 A C 2.578 180.131 177.584 -0.050 0.000 1.187 373 A CA 1.575 53.587 52.037 -0.041 0.000 0.614 373 A CB -0.810 18.174 19.000 -0.027 0.000 0.826 373 A HN 0.391 nan 8.150 nan 0.000 0.442 374 A N -0.604 122.178 122.820 -0.062 0.000 1.873 374 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 374 A C 2.333 179.864 177.584 -0.088 0.000 1.193 374 A CA 2.591 54.589 52.037 -0.065 0.000 0.629 374 A CB -1.542 17.415 19.000 -0.073 0.000 0.826 374 A HN 0.436 nan 8.150 nan 0.000 0.447 375 T N 0.351 114.833 114.554 -0.119 0.000 2.635 375 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 375 T C 1.939 176.524 174.700 -0.192 0.000 1.040 375 T CA 1.982 63.988 62.100 -0.157 0.000 1.156 375 T CB -0.429 68.342 68.868 -0.163 0.000 0.863 375 T HN 0.462 nan 8.240 nan 0.000 0.430 376 M N 0.722 120.232 119.600 -0.150 0.000 2.108 376 M HA -0.200 4.280 4.480 -0.000 0.000 0.257 376 M C 2.275 178.464 176.300 -0.185 0.000 1.071 376 M CA 1.854 57.058 55.300 -0.160 0.000 1.093 376 M CB -0.478 32.087 32.600 -0.058 0.000 1.345 376 M HN 0.227 nan 8.290 nan 0.000 0.403 377 K N -0.864 119.489 120.400 -0.078 0.000 1.980 377 K HA 0.023 4.343 4.320 -0.000 0.000 0.208 377 K C 1.405 178.028 176.600 0.038 0.000 1.043 377 K CA 1.337 57.642 56.287 0.030 0.000 0.938 377 K CB -0.143 32.375 32.500 0.030 0.000 0.724 377 K HN 0.531 nan 8.250 nan 0.000 0.438 378 G N 0.644 109.417 108.800 -0.044 0.000 2.456 378 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.208 378 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.208 378 G C 0.255 175.149 174.900 -0.009 0.000 1.004 378 G CA -0.204 44.885 45.100 -0.018 0.000 0.791 378 G HN 0.246 nan 8.290 nan 0.000 0.537 379 E N -0.078 120.106 120.200 -0.026 0.000 2.371 379 E HA 0.485 4.835 4.350 -0.000 0.000 0.194 379 E C 1.215 177.788 176.600 -0.044 0.000 1.012 379 E CA 0.863 57.249 56.400 -0.023 0.000 0.860 379 E CB 0.563 30.250 29.700 -0.021 0.000 0.811 379 E HN 0.704 nan 8.360 nan 0.000 0.502 380 A N 0.163 122.938 122.820 -0.074 0.000 2.569 380 A HA 0.416 4.736 4.320 -0.000 0.000 0.290 380 A C -0.755 176.753 177.584 -0.127 0.000 1.136 380 A CA -0.697 51.278 52.037 -0.104 0.000 0.710 380 A CB 1.471 20.389 19.000 -0.138 0.000 1.303 380 A HN -0.117 nan 8.150 nan 0.000 0.413 381 D N -0.878 119.430 120.400 -0.154 0.000 2.482 381 D HA 0.498 5.138 4.640 -0.000 0.000 0.251 381 D C 0.426 176.600 176.300 -0.211 0.000 1.073 381 D CA 1.520 55.437 54.000 -0.140 0.000 0.892 381 D CB 1.240 42.014 40.800 -0.044 0.000 1.202 381 D HN 0.939 nan 8.370 nan 0.000 0.496 382 A N -0.157 122.434 122.820 -0.381 0.000 2.586 382 A HA 0.792 5.112 4.320 -0.000 0.000 0.290 382 A C -1.710 175.234 177.584 -1.066 0.000 1.086 382 A CA -0.608 51.101 52.037 -0.546 0.000 0.665 382 A CB 1.345 20.062 19.000 -0.470 0.000 1.279 382 A HN 0.043 nan 8.150 nan 0.000 0.423 383 M N -1.495 117.519 119.600 -0.976 0.000 3.043 383 M HA 0.584 5.064 4.480 -0.000 0.000 0.264 383 M C -0.459 175.683 176.300 -0.264 0.000 0.969 383 M CA -0.226 54.476 55.300 -0.996 0.000 0.785 383 M CB 0.985 33.193 32.600 -0.654 0.000 1.634 383 M HN 0.869 nan 8.290 nan 0.000 0.560 384 S N 0.634 116.341 115.700 0.013 0.000 2.513 384 S HA 0.870 5.340 4.470 -0.000 0.000 0.276 384 S C -1.003 173.662 174.600 0.108 0.000 1.254 384 S CA -0.585 57.702 58.200 0.145 0.000 1.053 384 S CB 0.183 63.471 63.200 0.148 0.000 0.958 384 S HN 0.585 nan 8.310 nan 0.000 0.491 385 L N 3.188 124.520 121.223 0.182 0.000 2.354 385 L HA 0.507 4.847 4.340 -0.000 0.000 0.269 385 L C -0.046 176.985 176.870 0.269 0.000 1.005 385 L CA -0.999 53.932 54.840 0.151 0.000 0.819 385 L CB 2.027 44.093 42.059 0.012 0.000 1.311 385 L HN 0.601 nan 8.230 nan 0.000 0.423 386 D N 0.724 121.333 120.400 0.348 0.000 2.384 386 D HA 0.169 4.809 4.640 -0.000 0.000 0.244 386 D C 1.203 177.717 176.300 0.357 0.000 1.251 386 D CA 0.509 54.752 54.000 0.405 0.000 0.961 386 D CB 1.489 42.593 40.800 0.506 0.000 1.116 386 D HN 0.561 nan 8.370 nan 0.000 0.484 387 G N -0.319 108.668 108.800 0.313 0.000 2.422 387 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 387 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 387 G C 1.315 176.433 174.900 0.362 0.000 1.146 387 G CA 0.723 45.967 45.100 0.239 0.000 0.769 387 G HN 0.562 nan 8.290 nan 0.000 0.547 388 G N 0.391 109.340 108.800 0.248 0.000 2.394 388 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.215 388 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.215 388 G C 1.517 176.388 174.900 -0.048 0.000 1.165 388 G CA 0.380 45.510 45.100 0.049 0.000 0.784 388 G HN 0.387 nan 8.290 nan 0.000 0.535 389 F N 1.479 121.501 119.950 0.121 0.000 2.502 389 F HA 0.198 4.725 4.527 -0.000 0.000 0.298 389 F C 2.801 178.548 175.800 -0.089 0.000 1.111 389 F CA 0.460 58.475 58.000 0.026 0.000 1.445 389 F CB 0.214 39.213 39.000 -0.002 0.000 1.081 389 F HN 0.229 nan 8.300 nan 0.000 0.558 390 A N -1.088 121.777 122.820 0.075 0.000 2.067 390 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 390 A C 1.852 179.419 177.584 -0.028 0.000 1.156 390 A CA 0.670 52.558 52.037 -0.248 0.000 0.683 390 A CB -0.998 18.004 19.000 0.003 0.000 0.808 390 A HN 0.531 nan 8.150 nan 0.000 0.455 391 Y N 0.054 120.384 120.300 0.050 0.000 2.263 391 Y HA -0.096 4.454 4.550 -0.000 0.000 0.292 391 Y C 2.125 177.954 175.900 -0.118 0.000 1.130 391 Y CA 1.820 59.977 58.100 0.096 0.000 1.179 391 Y CB 0.040 38.548 38.460 0.080 0.000 0.998 391 Y HN 0.068 nan 8.280 nan 0.000 0.532 392 V N 0.353 120.320 119.914 0.087 0.000 2.323 392 V HA -0.233 3.887 4.120 -0.000 0.000 0.244 392 V C 2.655 178.692 176.094 -0.095 0.000 1.041 392 V CA 1.669 63.974 62.300 0.009 0.000 1.025 392 V CB -1.412 30.472 31.823 0.101 0.000 0.656 392 V HN 0.527 nan 8.190 nan 0.000 0.451 393 A N 0.531 123.251 122.820 -0.167 0.000 1.933 393 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 393 A C 2.348 179.771 177.584 -0.268 0.000 1.175 393 A CA 2.038 53.918 52.037 -0.262 0.000 0.628 393 A CB -1.073 17.601 19.000 -0.545 0.000 0.814 393 A HN 0.534 nan 8.150 nan 0.000 0.444 394 G N -1.871 106.672 108.800 -0.429 0.000 2.395 394 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 394 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 394 G C 1.433 175.855 174.900 -0.796 0.000 1.177 394 G CA 0.802 45.434 45.100 -0.781 0.000 0.794 394 G HN 0.732 nan 8.290 nan 0.000 0.532 395 H N -0.752 117.842 119.070 -0.793 0.000 2.518 395 H HA -0.049 4.507 4.556 -0.000 0.000 0.289 395 H C 1.485 176.694 175.328 -0.199 0.000 1.051 395 H CA 0.688 56.478 56.048 -0.430 0.000 1.280 395 H CB 0.162 29.713 29.762 -0.352 0.000 1.380 395 H HN 0.323 nan 8.280 nan 0.000 0.566 396 c N -0.099 118.455 118.600 -0.077 0.000 2.754 396 c HA 0.261 4.831 4.570 -0.000 0.000 0.276 396 c C 1.864 175.948 174.090 -0.010 0.000 1.264 396 c CA 0.578 56.895 56.329 -0.020 0.000 1.700 396 c CB -0.226 42.271 42.510 -0.022 0.000 1.885 396 c HN 0.843 nan 8.230 nan 0.000 0.607 397 G N 0.677 109.462 108.800 -0.026 0.000 2.194 397 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.236 397 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.236 397 G C 0.037 174.963 174.900 0.043 0.000 0.987 397 G CA -0.268 44.845 45.100 0.022 0.000 0.635 397 G HN 0.474 nan 8.290 nan 0.000 0.520 398 L N 1.283 122.534 121.223 0.048 0.000 2.395 398 L HA 0.662 5.002 4.340 -0.000 0.000 0.269 398 L C 1.077 178.125 176.870 0.297 0.000 1.133 398 L CA -0.841 54.083 54.840 0.139 0.000 0.812 398 L CB 1.419 43.563 42.059 0.142 0.000 1.125 398 L HN 0.267 nan 8.230 nan 0.000 0.452 399 V N 0.470 120.500 119.914 0.192 0.000 3.019 399 V HA 0.673 4.793 4.120 -0.000 0.000 0.317 399 V C -2.674 173.145 176.094 -0.460 0.000 1.094 399 V CA -2.617 59.700 62.300 0.028 0.000 1.000 399 V CB 1.607 33.440 31.823 0.016 0.000 1.060 399 V HN 0.513 nan 8.190 nan 0.000 0.443 400 P HA 0.473 nan 4.420 nan 0.000 0.277 400 P C 0.183 177.199 177.300 -0.475 0.000 1.240 400 P CA -0.171 62.299 63.100 -1.050 0.000 0.798 400 P CB 1.533 32.700 31.700 -0.888 0.000 0.979 401 V N 1.159 120.842 119.914 -0.385 0.000 2.950 401 V HA 0.280 4.400 4.120 -0.000 0.000 0.231 401 V C 0.586 176.583 176.094 -0.162 0.000 1.205 401 V CA 0.666 62.846 62.300 -0.200 0.000 1.239 401 V CB -0.229 31.512 31.823 -0.137 0.000 1.050 401 V HN 0.342 nan 8.190 nan 0.000 0.498 402 L N -0.626 120.509 121.223 -0.145 0.000 2.518 402 L HA 0.799 5.139 4.340 -0.000 0.000 0.257 402 L C -1.106 175.745 176.870 -0.031 0.000 0.980 402 L CA -0.601 54.191 54.840 -0.080 0.000 0.837 402 L CB 2.246 44.242 42.059 -0.106 0.000 1.410 402 L HN 0.170 nan 8.230 nan 0.000 0.410 403 A N 0.753 123.599 122.820 0.043 0.000 2.304 403 A HA 0.419 4.739 4.320 -0.000 0.000 0.323 403 A C -0.274 177.372 177.584 0.105 0.000 1.195 403 A CA -0.387 51.720 52.037 0.116 0.000 0.826 403 A CB 0.984 20.150 19.000 0.276 0.000 1.184 403 A HN 0.749 nan 8.150 nan 0.000 0.496 404 E N 2.814 123.087 120.200 0.120 0.000 1.774 404 E HA 0.002 4.352 4.350 -0.000 0.000 0.265 404 E C -0.112 176.338 176.600 -0.251 0.000 1.207 404 E CA -0.179 56.197 56.400 -0.041 0.000 1.054 404 E CB -0.337 29.399 29.700 0.059 0.000 1.074 404 E HN 0.612 nan 8.360 nan 0.000 0.433 405 N N 3.165 121.742 118.700 -0.205 0.000 2.468 405 N HA -0.006 4.734 4.740 -0.000 0.000 0.265 405 N C -1.208 174.137 175.510 -0.276 0.000 1.199 405 N CA 0.313 53.278 53.050 -0.142 0.000 0.928 405 N CB 0.349 38.778 38.487 -0.097 0.000 1.059 405 N HN 0.291 nan 8.380 nan 0.000 0.467 406 Y N 2.017 122.293 120.300 -0.040 0.000 2.534 406 Y HA 0.362 4.912 4.550 -0.000 0.000 0.338 406 Y C 0.339 176.184 175.900 -0.090 0.000 1.279 406 Y CA -0.926 57.138 58.100 -0.060 0.000 1.436 406 Y CB 0.252 38.723 38.460 0.019 0.000 1.573 406 Y HN 0.279 nan 8.280 nan 0.000 0.567 407 L N 1.071 122.354 121.223 0.100 0.000 2.559 407 L HA -0.016 4.324 4.340 -0.000 0.000 0.282 407 L C 0.205 177.037 176.870 -0.064 0.000 1.232 407 L CA 0.744 55.560 54.840 -0.040 0.000 0.885 407 L CB -0.258 41.776 42.059 -0.042 0.000 1.131 407 L HN 0.486 nan 8.230 nan 0.000 0.498 408 S N 0.164 115.775 115.700 -0.149 0.000 2.646 408 S HA 0.331 4.801 4.470 -0.000 0.000 0.276 408 S C 0.014 174.514 174.600 -0.166 0.000 1.222 408 S CA -0.706 57.421 58.200 -0.122 0.000 1.014 408 S CB 1.051 64.178 63.200 -0.121 0.000 0.991 408 S HN 0.767 nan 8.310 nan 0.000 0.533 409 T N 1.398 115.912 114.554 -0.067 0.000 2.666 409 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 409 T C 0.052 174.726 174.700 -0.044 0.000 1.009 409 T CA 0.028 62.118 62.100 -0.016 0.000 1.238 409 T CB -0.607 68.272 68.868 0.018 0.000 0.969 409 T HN 0.510 nan 8.240 nan 0.000 0.515 410 H N 3.372 122.441 119.070 -0.001 0.000 3.138 410 H HA 0.187 4.743 4.556 -0.000 0.000 0.275 410 H C 0.904 176.229 175.328 -0.005 0.000 0.997 410 H CA 0.572 56.615 56.048 -0.009 0.000 1.460 410 H CB 0.772 30.525 29.762 -0.016 0.000 1.524 410 H HN 0.865 nan 8.280 nan 0.000 0.532 411 S N 2.083 117.837 115.700 0.091 0.000 2.290 411 S HA -0.008 4.462 4.470 -0.000 0.000 0.266 411 S C 0.285 174.907 174.600 0.036 0.000 0.995 411 S CA -0.053 58.181 58.200 0.057 0.000 1.482 411 S CB 0.349 63.569 63.200 0.033 0.000 1.176 411 S HN 0.502 nan 8.310 nan 0.000 0.599 412 S N -0.141 115.572 115.700 0.021 0.000 2.638 412 S HA 0.651 5.121 4.470 -0.000 0.000 0.298 412 S C 1.449 176.059 174.600 0.016 0.000 1.111 412 S CA 0.168 58.371 58.200 0.005 0.000 1.027 412 S CB 1.163 64.349 63.200 -0.022 0.000 1.064 412 S HN 0.419 nan 8.310 nan 0.000 0.525 413 G N 2.472 111.275 108.800 0.006 0.000 2.453 413 G HA2 0.065 4.025 3.960 -0.000 0.000 0.215 413 G HA3 0.065 4.025 3.960 -0.000 0.000 0.215 413 G C 0.353 175.253 174.900 -0.001 0.000 1.201 413 G CA 0.911 46.015 45.100 0.008 0.000 0.784 413 G HN 0.922 nan 8.290 nan 0.000 0.545 414 R N -1.376 119.111 120.500 -0.023 0.000 2.733 414 R HA 0.623 4.963 4.340 -0.000 0.000 0.272 414 R C -1.187 175.079 176.300 -0.057 0.000 1.029 414 R CA -0.976 55.099 56.100 -0.041 0.000 0.888 414 R CB 0.816 31.091 30.300 -0.041 0.000 1.251 414 R HN 0.267 nan 8.270 nan 0.000 0.464 415 L N -1.561 119.618 121.223 -0.074 0.000 2.322 415 L HA 0.977 5.317 4.340 -0.000 0.000 0.269 415 L C -0.242 176.581 176.870 -0.080 0.000 1.012 415 L CA -0.639 54.154 54.840 -0.079 0.000 0.815 415 L CB 2.009 44.012 42.059 -0.095 0.000 1.295 415 L HN 0.858 nan 8.230 nan 0.000 0.438 416 G N -0.236 108.519 108.800 -0.075 0.000 3.291 416 G HA2 0.265 4.225 3.960 -0.000 0.000 0.173 416 G HA3 0.265 4.225 3.960 -0.000 0.000 0.173 416 G C 0.420 175.272 174.900 -0.079 0.000 1.099 416 G CA 0.145 45.199 45.100 -0.077 0.000 0.794 416 G HN 0.773 nan 8.290 nan 0.000 0.651 417 S N 0.428 116.082 115.700 -0.078 0.000 2.626 417 S HA -0.036 4.434 4.470 -0.000 0.000 0.245 417 S C 1.466 176.018 174.600 -0.080 0.000 0.973 417 S CA 0.936 59.085 58.200 -0.086 0.000 0.959 417 S CB -0.164 62.983 63.200 -0.087 0.000 0.762 417 S HN 0.382 nan 8.310 nan 0.000 0.539 418 K N 0.300 120.658 120.400 -0.071 0.000 2.366 418 K HA 0.139 4.459 4.320 -0.000 0.000 0.198 418 K C 2.044 178.608 176.600 -0.061 0.000 1.044 418 K CA 0.573 56.823 56.287 -0.062 0.000 0.973 418 K CB -0.831 31.634 32.500 -0.058 0.000 0.767 418 K HN 0.564 nan 8.250 nan 0.000 0.475 419 c N 0.797 119.354 118.600 -0.070 0.000 2.522 419 c HA -0.016 4.554 4.570 -0.000 0.000 0.280 419 c C 2.600 176.666 174.090 -0.040 0.000 1.303 419 c CA 0.160 56.448 56.329 -0.070 0.000 1.709 419 c CB -0.653 41.795 42.510 -0.103 0.000 2.071 419 c HN 0.214 nan 8.230 nan 0.000 0.492 420 V N 1.773 121.666 119.914 -0.036 0.000 2.357 420 V HA -0.262 3.858 4.120 -0.000 0.000 0.257 420 V C 1.475 177.594 176.094 0.042 0.000 1.082 420 V CA 2.576 64.881 62.300 0.009 0.000 1.078 420 V CB -0.803 30.935 31.823 -0.141 0.000 0.663 420 V HN 0.626 nan 8.190 nan 0.000 0.455 421 N N -1.037 117.663 118.700 -0.001 0.000 2.238 421 N HA 0.391 5.131 4.740 -0.000 0.000 0.235 421 N C 0.053 175.569 175.510 0.009 0.000 1.209 421 N CA 0.481 53.541 53.050 0.017 0.000 0.879 421 N CB 0.631 39.116 38.487 -0.004 0.000 1.136 421 N HN 0.434 nan 8.380 nan 0.000 0.517 422 A N 2.089 124.908 122.820 -0.002 0.000 2.410 422 A HA 0.319 4.639 4.320 -0.000 0.000 0.292 422 A C -2.045 175.543 177.584 0.006 0.000 1.232 422 A CA -1.005 51.026 52.037 -0.010 0.000 0.893 422 A CB -0.203 18.779 19.000 -0.031 0.000 1.131 422 A HN 0.068 nan 8.150 nan 0.000 0.530 423 P HA 0.226 nan 4.420 nan 0.000 0.270 423 P C -0.781 176.527 177.300 0.012 0.000 1.223 423 P CA -0.151 62.958 63.100 0.016 0.000 0.785 423 P CB 1.073 32.776 31.700 0.005 0.000 0.923 424 L N 1.461 122.695 121.223 0.018 0.000 2.455 424 L HA 0.236 4.576 4.340 -0.000 0.000 0.264 424 L C 0.514 177.371 176.870 -0.022 0.000 0.968 424 L CA -0.427 54.426 54.840 0.022 0.000 0.827 424 L CB 2.005 44.114 42.059 0.084 0.000 1.317 424 L HN 0.516 nan 8.230 nan 0.000 0.407 425 E N 2.728 122.891 120.200 -0.061 0.000 2.424 425 E HA 0.290 4.640 4.350 -0.000 0.000 0.237 425 E C 0.982 177.439 176.600 -0.239 0.000 1.381 425 E CA 0.513 56.822 56.400 -0.152 0.000 1.587 425 E CB 0.006 29.607 29.700 -0.165 0.000 1.398 425 E HN 0.877 nan 8.360 nan 0.000 0.439 426 G N 1.237 109.957 108.800 -0.133 0.000 2.602 426 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.306 426 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.306 426 G C -0.423 174.342 174.900 -0.225 0.000 1.301 426 G CA 0.764 45.779 45.100 -0.142 0.000 0.974 426 G HN 0.506 nan 8.290 nan 0.000 0.547 427 Y N -2.805 117.191 120.300 -0.506 0.000 2.576 427 Y HA 0.745 5.295 4.550 -0.000 0.000 0.346 427 Y C -0.763 174.583 175.900 -0.922 0.000 1.018 427 Y CA -2.447 55.126 58.100 -0.878 0.000 1.050 427 Y CB 0.824 38.972 38.460 -0.520 0.000 1.280 427 Y HN 0.575 nan 8.280 nan 0.000 0.474 428 Y N 1.400 121.157 120.300 -0.904 0.000 2.365 428 Y HA 0.454 5.004 4.550 -0.000 0.000 0.340 428 Y C 0.033 175.823 175.900 -0.185 0.000 1.016 428 Y CA -1.060 56.726 58.100 -0.524 0.000 1.196 428 Y CB 0.988 39.203 38.460 -0.409 0.000 1.167 428 Y HN 0.476 nan 8.280 nan 0.000 0.509 429 V N 5.641 125.561 119.914 0.010 0.000 2.530 429 V HA 0.380 4.500 4.120 -0.000 0.000 0.282 429 V C -0.034 176.143 176.094 0.139 0.000 1.048 429 V CA -0.558 61.806 62.300 0.107 0.000 0.997 429 V CB 0.864 32.727 31.823 0.065 0.000 0.987 429 V HN 0.589 nan 8.190 nan 0.000 0.477 430 V N 2.339 122.348 119.914 0.158 0.000 2.735 430 V HA 0.979 5.099 4.120 -0.000 0.000 0.310 430 V C -0.102 176.087 176.094 0.157 0.000 1.061 430 V CA -0.985 61.398 62.300 0.137 0.000 0.913 430 V CB 1.810 33.704 31.823 0.118 0.000 1.005 430 V HN 0.987 nan 8.190 nan 0.000 0.428 431 A N 3.551 126.458 122.820 0.144 0.000 2.249 431 A HA 0.789 5.109 4.320 -0.000 0.000 0.314 431 A C -0.367 177.227 177.584 0.016 0.000 1.290 431 A CA -0.504 51.624 52.037 0.153 0.000 0.893 431 A CB 1.064 20.276 19.000 0.352 0.000 1.165 431 A HN 1.784 nan 8.150 nan 0.000 0.530 432 V N 4.538 124.403 119.914 -0.081 0.000 2.630 432 V HA 0.823 4.943 4.120 -0.000 0.000 0.305 432 V C -0.355 175.705 176.094 -0.057 0.000 1.046 432 V CA -0.088 62.190 62.300 -0.036 0.000 0.934 432 V CB 1.798 33.602 31.823 -0.031 0.000 1.003 432 V HN 1.378 nan 8.190 nan 0.000 0.451 433 V N 2.938 122.873 119.914 0.035 0.000 3.049 433 V HA 0.637 4.757 4.120 -0.000 0.000 0.309 433 V C -0.517 175.640 176.094 0.105 0.000 1.148 433 V CA -1.332 60.992 62.300 0.040 0.000 0.990 433 V CB 1.782 33.628 31.823 0.038 0.000 1.039 433 V HN 0.885 nan 8.190 nan 0.000 0.430 434 K N 1.408 121.858 120.400 0.083 0.000 2.436 434 K HA 0.179 4.499 4.320 -0.000 0.000 0.275 434 K C 0.642 177.246 176.600 0.008 0.000 0.999 434 K CA -0.088 56.221 56.287 0.036 0.000 0.980 434 K CB 0.878 33.369 32.500 -0.014 0.000 0.919 434 K HN 0.760 nan 8.250 nan 0.000 0.484 435 K N 1.404 121.787 120.400 -0.029 0.000 2.432 435 K HA -0.057 4.263 4.320 -0.000 0.000 0.196 435 K C 1.291 177.872 176.600 -0.032 0.000 1.038 435 K CA 0.520 56.797 56.287 -0.016 0.000 0.986 435 K CB 0.259 32.746 32.500 -0.022 0.000 0.782 435 K HN 0.480 nan 8.250 nan 0.000 0.485 436 S N 1.002 116.669 115.700 -0.056 0.000 2.356 436 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 436 S C 0.663 175.250 174.600 -0.021 0.000 1.032 436 S CA 0.930 59.101 58.200 -0.047 0.000 1.005 436 S CB -0.179 62.984 63.200 -0.061 0.000 0.867 436 S HN 0.395 nan 8.310 nan 0.000 0.449 437 D N 2.362 122.756 120.400 -0.010 0.000 2.339 437 D HA 0.109 4.749 4.640 -0.000 0.000 0.256 437 D C 0.166 176.473 176.300 0.011 0.000 1.214 437 D CA -0.052 53.950 54.000 0.003 0.000 0.877 437 D CB 1.092 41.899 40.800 0.011 0.000 1.111 437 D HN 0.160 nan 8.370 nan 0.000 0.478 438 V N 2.390 122.310 119.914 0.010 0.000 2.836 438 V HA 0.576 4.696 4.120 -0.000 0.000 0.368 438 V C 0.922 177.029 176.094 0.020 0.000 1.452 438 V CA 0.230 62.539 62.300 0.014 0.000 1.586 438 V CB 0.295 32.123 31.823 0.009 0.000 1.436 438 V HN 0.598 nan 8.190 nan 0.000 0.541 439 G N 0.837 109.654 108.800 0.028 0.000 2.540 439 G HA2 0.259 4.219 3.960 -0.000 0.000 0.163 439 G HA3 0.259 4.219 3.960 -0.000 0.000 0.163 439 G C 0.186 175.114 174.900 0.046 0.000 1.501 439 G CA -0.375 44.744 45.100 0.032 0.000 0.715 439 G HN 0.464 nan 8.290 nan 0.000 1.086 440 I N 2.677 123.279 120.570 0.054 0.000 2.587 440 I HA 0.374 4.544 4.170 -0.000 0.000 0.284 440 I C 0.503 176.684 176.117 0.106 0.000 1.134 440 I CA 0.606 61.953 61.300 0.078 0.000 1.410 440 I CB 1.159 39.203 38.000 0.074 0.000 1.392 440 I HN 0.053 nan 8.210 nan 0.000 0.545 441 T N 4.952 119.584 114.554 0.130 0.000 2.841 441 T HA 0.157 4.507 4.350 -0.000 0.000 0.296 441 T C 0.313 175.165 174.700 0.254 0.000 1.166 441 T CA -0.655 61.552 62.100 0.178 0.000 1.007 441 T CB 1.308 70.257 68.868 0.134 0.000 1.253 441 T HN 0.708 nan 8.240 nan 0.000 0.511 442 W N 1.856 123.224 121.300 0.113 0.000 2.525 442 W HA 0.051 4.711 4.660 -0.000 0.000 0.259 442 W C 0.973 177.572 176.519 0.132 0.000 1.253 442 W CA 0.475 57.907 57.345 0.145 0.000 1.262 442 W CB 0.309 29.838 29.460 0.115 0.000 1.122 442 W HN 0.531 nan 8.180 nan 0.000 0.607 443 K N 0.338 120.819 120.400 0.135 0.000 2.444 443 K HA -0.018 4.302 4.320 -0.000 0.000 0.193 443 K C 0.734 177.320 176.600 -0.023 0.000 1.024 443 K CA 0.836 57.146 56.287 0.039 0.000 1.077 443 K CB 0.108 32.651 32.500 0.071 0.000 0.833 443 K HN 0.116 nan 8.250 nan 0.000 0.517 444 S N -0.379 115.311 115.700 -0.016 0.000 2.680 444 S HA 0.236 4.706 4.470 -0.000 0.000 0.153 444 S C 0.402 174.993 174.600 -0.015 0.000 1.224 444 S CA -0.536 57.635 58.200 -0.048 0.000 1.197 444 S CB -0.571 62.616 63.200 -0.020 0.000 1.634 444 S HN -0.035 nan 8.310 nan 0.000 0.422 445 L N 0.891 122.110 121.223 -0.006 0.000 2.416 445 L HA 0.340 4.680 4.340 -0.000 0.000 0.216 445 L C 1.474 178.359 176.870 0.025 0.000 1.098 445 L CA 0.573 55.547 54.840 0.224 0.000 0.840 445 L CB -0.216 42.156 42.059 0.521 0.000 0.981 445 L HN 0.637 nan 8.230 nan 0.000 0.462 446 Q N 0.363 119.778 119.800 -0.641 0.000 2.349 446 Q HA 0.203 4.543 4.340 -0.000 0.000 0.287 446 Q C 1.317 177.096 176.000 -0.369 0.000 1.044 446 Q CA 1.051 56.193 55.803 -1.102 0.000 0.918 446 Q CB 0.394 28.390 28.738 -1.238 0.000 1.242 446 Q HN 0.364 nan 8.270 nan 0.000 0.405 447 G N 2.878 111.545 108.800 -0.222 0.000 2.304 447 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 447 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 447 G C -0.191 174.758 174.900 0.081 0.000 1.014 447 G CA 0.471 45.544 45.100 -0.045 0.000 0.619 447 G HN 0.568 nan 8.290 nan 0.000 0.525 448 K N 1.029 121.532 120.400 0.172 0.000 2.144 448 K HA 0.451 4.771 4.320 -0.000 0.000 0.270 448 K C 0.302 177.071 176.600 0.283 0.000 1.005 448 K CA -0.533 55.879 56.287 0.208 0.000 0.932 448 K CB 0.941 33.561 32.500 0.199 0.000 1.021 448 K HN 0.192 nan 8.250 nan 0.000 0.462 449 K N 1.380 121.859 120.400 0.132 0.000 2.350 449 K HA 0.071 4.391 4.320 -0.000 0.000 0.279 449 K C -0.024 176.523 176.600 -0.088 0.000 1.027 449 K CA -0.128 56.200 56.287 0.069 0.000 0.969 449 K CB 0.792 33.311 32.500 0.033 0.000 0.954 449 K HN 0.655 nan 8.250 nan 0.000 0.474 450 S N 0.800 116.377 115.700 -0.205 0.000 2.599 450 S HA 0.575 5.045 4.470 -0.000 0.000 0.294 450 S C -0.711 173.655 174.600 -0.390 0.000 1.094 450 S CA -0.989 56.904 58.200 -0.511 0.000 0.931 450 S CB 1.295 63.816 63.200 -1.132 0.000 1.093 450 S HN 0.591 nan 8.310 nan 0.000 0.488 451 c N 2.673 120.957 118.600 -0.527 0.000 2.364 451 c HA 0.640 5.210 4.570 -0.000 0.000 0.324 451 c C -0.545 173.306 174.090 -0.399 0.000 1.234 451 c CA -0.580 55.523 56.329 -0.378 0.000 1.417 451 c CB -0.100 42.191 42.510 -0.366 0.000 2.101 451 c HN 0.882 nan 8.230 nan 0.000 0.466 452 H N 1.649 120.754 119.070 0.058 0.000 2.469 452 H HA 0.253 4.809 4.556 -0.000 0.000 0.342 452 H C 1.134 176.481 175.328 0.032 0.000 1.115 452 H CA 0.067 56.199 56.048 0.141 0.000 1.204 452 H CB 1.932 31.828 29.762 0.222 0.000 1.492 452 H HN 0.771 nan 8.280 nan 0.000 0.499 453 T N 0.971 115.617 114.554 0.154 0.000 2.607 453 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 453 T C 0.866 175.485 174.700 -0.135 0.000 1.049 453 T CA 1.040 63.139 62.100 -0.001 0.000 1.162 453 T CB 0.086 68.979 68.868 0.041 0.000 0.863 453 T HN 0.743 nan 8.240 nan 0.000 0.424 454 A N -0.091 122.686 122.820 -0.071 0.000 2.569 454 A HA 0.559 4.879 4.320 -0.000 0.000 0.292 454 A C -0.459 176.972 177.584 -0.255 0.000 1.032 454 A CA -0.610 51.334 52.037 -0.155 0.000 0.669 454 A CB 0.548 19.456 19.000 -0.153 0.000 1.290 454 A HN 1.155 nan 8.150 nan 0.000 0.422 455 V N -0.161 119.433 119.914 -0.532 0.000 3.003 455 V HA 0.691 4.811 4.120 -0.000 0.000 0.305 455 V C 1.410 177.180 176.094 -0.540 0.000 1.078 455 V CA 0.777 62.358 62.300 -1.199 0.000 1.083 455 V CB 0.610 31.596 31.823 -1.394 0.000 1.039 455 V HN 2.942 nan 8.190 nan 0.000 0.481 456 G N 2.045 110.554 108.800 -0.485 0.000 2.234 456 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 456 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 456 G C 0.438 175.042 174.900 -0.494 0.000 0.987 456 G CA 0.712 45.577 45.100 -0.391 0.000 0.625 456 G HN 1.829 nan 8.290 nan 0.000 0.532 457 T N -1.236 113.242 114.554 -0.127 0.000 2.904 457 T HA 0.684 5.034 4.350 -0.000 0.000 0.290 457 T C 1.466 176.240 174.700 0.123 0.000 1.018 457 T CA 0.664 62.802 62.100 0.063 0.000 1.075 457 T CB 1.773 70.757 68.868 0.193 0.000 0.986 457 T HN 0.225 nan 8.240 nan 0.000 0.523 458 S N 1.518 117.329 115.700 0.185 0.000 2.343 458 S HA -0.120 4.350 4.470 -0.000 0.000 0.219 458 S C 1.943 176.639 174.600 0.161 0.000 1.033 458 S CA 1.538 59.853 58.200 0.192 0.000 1.014 458 S CB -0.549 62.767 63.200 0.192 0.000 0.915 458 S HN 0.879 nan 8.310 nan 0.000 0.435 459 E N 0.999 121.334 120.200 0.225 0.000 2.037 459 E HA -0.144 4.206 4.350 -0.000 0.000 0.214 459 E C 1.758 178.493 176.600 0.224 0.000 1.041 459 E CA 1.540 58.073 56.400 0.222 0.000 0.872 459 E CB -0.706 29.118 29.700 0.207 0.000 0.785 459 E HN 0.508 nan 8.360 nan 0.000 0.476 460 G N -2.168 106.785 108.800 0.256 0.000 3.702 460 G HA2 0.181 4.141 3.960 -0.000 0.000 0.288 460 G HA3 0.181 4.141 3.960 -0.000 0.000 0.288 460 G C -0.180 174.995 174.900 0.459 0.000 1.193 460 G CA -0.417 44.918 45.100 0.391 0.000 0.952 460 G HN 0.233 nan 8.290 nan 0.000 0.544 461 W N -0.847 120.375 121.300 -0.130 0.000 4.537 461 W HA -0.061 4.599 4.660 0.000 0.000 0.163 461 W C 0.850 177.082 176.519 -0.479 0.000 3.464 461 W CA -0.032 57.141 57.345 -0.287 0.000 1.218 461 W CB -0.245 29.102 29.460 -0.187 0.000 2.065 461 W HN 0.104 nan 8.180 nan 0.000 0.428 462 N N 1.351 119.894 118.700 -0.262 0.000 2.091 462 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 462 N C 1.288 176.303 175.510 -0.824 0.000 1.021 462 N CA 2.174 54.790 53.050 -0.724 0.000 0.862 462 N CB -0.857 37.421 38.487 -0.350 0.000 1.018 462 N HN 0.031 nan 8.380 nan 0.000 0.429 463 V N 2.182 121.829 119.914 -0.444 0.000 2.300 463 V HA -0.054 4.066 4.120 -0.000 0.000 0.241 463 V C -0.640 175.227 176.094 -0.378 0.000 1.034 463 V CA 1.354 63.450 62.300 -0.341 0.000 1.021 463 V CB -1.187 30.547 31.823 -0.148 0.000 0.662 463 V HN 0.236 nan 8.190 nan 0.000 0.458 464 P HA -0.157 nan 4.420 nan 0.000 0.217 464 P C 1.631 178.624 177.300 -0.510 0.000 1.150 464 P CA 1.662 64.455 63.100 -0.511 0.000 0.832 464 P CB -0.085 30.858 31.700 -1.262 0.000 0.787 465 M N -1.181 117.957 119.600 -0.769 0.000 2.506 465 M HA 0.130 4.610 4.480 -0.000 0.000 0.260 465 M C 2.252 178.101 176.300 -0.753 0.000 1.104 465 M CA 0.964 55.681 55.300 -0.970 0.000 1.112 465 M CB -1.732 29.896 32.600 -1.620 0.000 1.401 465 M HN -0.026 nan 8.290 nan 0.000 0.473 466 G N 0.167 108.427 108.800 -0.900 0.000 2.430 466 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 466 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 466 G C 1.668 176.483 174.900 -0.141 0.000 1.146 466 G CA 0.182 44.889 45.100 -0.656 0.000 0.793 466 G HN 0.362 nan 8.290 nan 0.000 0.537 467 L N -0.273 120.868 121.223 -0.137 0.000 2.095 467 L HA 0.116 4.456 4.340 -0.000 0.000 0.204 467 L C 2.612 179.510 176.870 0.047 0.000 1.080 467 L CA 0.201 55.062 54.840 0.034 0.000 0.759 467 L CB -0.245 41.908 42.059 0.156 0.000 0.914 467 L HN 0.067 nan 8.230 nan 0.000 0.439 468 I N -0.872 119.653 120.570 -0.075 0.000 2.335 468 I HA -0.334 3.836 4.170 -0.000 0.000 0.251 468 I C 2.292 178.393 176.117 -0.027 0.000 1.129 468 I CA 1.534 62.691 61.300 -0.238 0.000 1.402 468 I CB -0.389 37.246 38.000 -0.607 0.000 1.069 468 I HN 0.194 nan 8.210 nan 0.000 0.424 469 Y N 0.838 121.156 120.300 0.029 0.000 2.395 469 Y HA -0.142 4.408 4.550 -0.000 0.000 0.293 469 Y C 1.744 177.673 175.900 0.049 0.000 1.123 469 Y CA 1.156 59.324 58.100 0.113 0.000 1.227 469 Y CB -0.066 38.550 38.460 0.261 0.000 1.012 469 Y HN 0.163 nan 8.280 nan 0.000 0.552 470 D N -0.181 120.275 120.400 0.094 0.000 2.349 470 D HA -0.088 4.552 4.640 -0.000 0.000 0.224 470 D C 1.677 177.954 176.300 -0.038 0.000 1.029 470 D CA 0.646 54.657 54.000 0.018 0.000 0.879 470 D CB 0.044 40.891 40.800 0.078 0.000 0.906 470 D HN 0.558 nan 8.370 nan 0.000 0.528 471 Q N -0.431 119.341 119.800 -0.047 0.000 2.423 471 Q HA -0.022 4.318 4.340 -0.000 0.000 0.231 471 Q C 1.549 177.512 176.000 -0.063 0.000 0.894 471 Q CA 0.866 56.649 55.803 -0.034 0.000 0.938 471 Q CB 0.510 29.242 28.738 -0.010 0.000 1.079 471 Q HN 0.311 nan 8.270 nan 0.000 0.552 472 T N -4.454 110.040 114.554 -0.100 0.000 3.111 472 T HA 0.364 4.714 4.350 -0.000 0.000 0.236 472 T C 1.335 175.897 174.700 -0.231 0.000 0.984 472 T CA 0.908 62.947 62.100 -0.103 0.000 1.195 472 T CB 0.545 69.408 68.868 -0.008 0.000 0.929 472 T HN 0.389 nan 8.240 nan 0.000 0.431 473 G N 0.578 109.101 108.800 -0.462 0.000 2.168 473 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.197 473 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.197 473 G C 0.062 174.675 174.900 -0.479 0.000 0.997 473 G CA 0.228 44.913 45.100 -0.692 0.000 0.658 473 G HN 0.980 nan 8.290 nan 0.000 0.513 474 S N -1.415 114.125 115.700 -0.266 0.000 2.513 474 S HA 0.534 5.004 4.470 -0.000 0.000 0.299 474 S C 1.142 175.624 174.600 -0.196 0.000 1.087 474 S CA 0.131 58.262 58.200 -0.114 0.000 1.012 474 S CB 1.232 64.355 63.200 -0.130 0.000 1.044 474 S HN 0.602 nan 8.310 nan 0.000 0.485 475 c N 3.308 121.751 118.600 -0.262 0.000 2.576 475 c HA 0.278 4.848 4.570 -0.000 0.000 0.267 475 c C 1.209 174.775 174.090 -0.874 0.000 1.364 475 c CA -0.102 55.801 56.329 -0.711 0.000 1.723 475 c CB -1.749 40.541 42.510 -0.368 0.000 1.778 475 c HN 0.742 nan 8.230 nan 0.000 0.572 476 K N 1.154 121.245 120.400 -0.515 0.000 2.150 476 K HA 0.149 4.469 4.320 -0.000 0.000 0.261 476 K C 0.114 176.580 176.600 -0.224 0.000 1.127 476 K CA -0.293 55.833 56.287 -0.268 0.000 0.989 476 K CB -0.163 32.274 32.500 -0.105 0.000 1.475 476 K HN 0.282 nan 8.250 nan 0.000 0.391 477 F N 1.374 121.385 119.950 0.102 0.000 2.456 477 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 477 F C 1.761 177.697 175.800 0.226 0.000 1.104 477 F CA 0.558 58.635 58.000 0.129 0.000 1.435 477 F CB -0.040 39.001 39.000 0.068 0.000 1.078 477 F HN 0.571 nan 8.300 nan 0.000 0.546 478 D N 0.020 120.624 120.400 0.339 0.000 2.392 478 D HA -0.053 4.587 4.640 -0.000 0.000 0.228 478 D C 1.820 178.250 176.300 0.217 0.000 1.003 478 D CA 0.940 55.115 54.000 0.292 0.000 0.917 478 D CB -0.240 40.693 40.800 0.222 0.000 0.890 478 D HN 0.331 nan 8.370 nan 0.000 0.532 479 A N 0.223 123.153 122.820 0.183 0.000 1.924 479 A HA 0.097 4.417 4.320 -0.000 0.000 0.211 479 A C 1.815 179.461 177.584 0.103 0.000 1.198 479 A CA 0.035 52.136 52.037 0.107 0.000 0.657 479 A CB -0.697 18.335 19.000 0.053 0.000 0.852 479 A HN 0.166 nan 8.150 nan 0.000 0.454 480 F N -0.042 119.903 119.950 -0.008 0.000 2.022 480 F HA 0.127 4.654 4.527 -0.000 0.000 0.293 480 F C 0.209 175.904 175.800 -0.175 0.000 1.142 480 F CA 1.025 58.924 58.000 -0.167 0.000 1.177 480 F CB -0.184 38.649 39.000 -0.279 0.000 0.982 480 F HN 0.092 nan 8.300 nan 0.000 0.473 481 F N 1.367 121.616 119.950 0.498 0.000 2.350 481 F HA 0.224 4.750 4.527 -0.000 0.000 0.365 481 F C 0.477 176.412 175.800 0.226 0.000 1.122 481 F CA -1.001 57.208 58.000 0.348 0.000 1.139 481 F CB 0.428 39.687 39.000 0.433 0.000 1.220 481 F HN -0.137 nan 8.300 nan 0.000 0.499 482 S N 5.728 121.612 115.700 0.306 0.000 2.455 482 S HA 0.425 4.895 4.470 -0.000 0.000 0.278 482 S C -0.135 174.587 174.600 0.204 0.000 1.216 482 S CA -0.822 57.500 58.200 0.202 0.000 1.055 482 S CB 0.305 63.577 63.200 0.119 0.000 0.939 482 S HN 0.733 nan 8.310 nan 0.000 0.494 483 R N 0.678 121.296 120.500 0.195 0.000 1.507 483 R HA -0.097 4.243 4.340 -0.000 0.000 0.404 483 R C -0.566 175.841 176.300 0.178 0.000 1.291 483 R CA 0.826 57.025 56.100 0.165 0.000 1.082 483 R CB -2.354 28.018 30.300 0.119 0.000 3.235 483 R HN 1.197 nan 8.270 nan 0.000 0.491 484 S N 0.205 116.020 115.700 0.191 0.000 2.643 484 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 484 S C -0.934 173.781 174.600 0.191 0.000 1.166 484 S CA -0.610 57.697 58.200 0.179 0.000 0.815 484 S CB 2.778 66.141 63.200 0.273 0.000 1.139 484 S HN 0.852 nan 8.310 nan 0.000 0.472 485 c N 1.725 120.429 118.600 0.175 0.000 2.356 485 c HA 0.867 5.437 4.570 -0.000 0.000 0.324 485 c C -0.135 174.089 174.090 0.224 0.000 1.167 485 c CA 0.359 56.802 56.329 0.190 0.000 1.420 485 c CB -0.505 42.130 42.510 0.209 0.000 2.036 485 c HN 1.284 nan 8.230 nan 0.000 0.435 486 A N 7.740 130.680 122.820 0.199 0.000 2.545 486 A HA 0.698 5.018 4.320 -0.000 0.000 0.300 486 A C -2.901 174.669 177.584 -0.023 0.000 1.252 486 A CA -1.161 50.935 52.037 0.098 0.000 0.753 486 A CB 0.584 19.563 19.000 -0.035 0.000 1.144 486 A HN 0.678 nan 8.150 nan 0.000 0.457 487 P HA 0.275 nan 4.420 nan 0.000 0.261 487 P C 1.188 178.472 177.300 -0.026 0.000 1.183 487 P CA 2.160 65.295 63.100 0.058 0.000 0.761 487 P CB 0.837 32.663 31.700 0.210 0.000 0.785 488 G N 1.507 110.303 108.800 -0.007 0.000 2.231 488 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.206 488 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.206 488 G C 0.596 175.462 174.900 -0.058 0.000 0.996 488 G CA -0.089 44.989 45.100 -0.037 0.000 0.645 488 G HN 0.534 nan 8.290 nan 0.000 0.498 489 S N 0.074 115.735 115.700 -0.064 0.000 2.640 489 S HA 0.460 4.930 4.470 -0.000 0.000 0.262 489 S C 0.019 174.643 174.600 0.041 0.000 1.232 489 S CA 0.195 58.392 58.200 -0.005 0.000 0.988 489 S CB 0.918 64.140 63.200 0.036 0.000 1.034 489 S HN 0.461 nan 8.310 nan 0.000 0.569 490 D N 0.754 121.197 120.400 0.072 0.000 2.325 490 D HA 0.296 4.936 4.640 -0.000 0.000 0.251 490 D C -1.785 174.556 176.300 0.068 0.000 1.196 490 D CA -1.910 52.130 54.000 0.066 0.000 0.866 490 D CB 1.041 41.886 40.800 0.074 0.000 1.101 490 D HN -0.029 nan 8.370 nan 0.000 0.476 491 P HA -0.162 nan 4.420 nan 0.000 0.216 491 P C 0.437 177.771 177.300 0.057 0.000 1.154 491 P CA 1.063 64.194 63.100 0.052 0.000 0.865 491 P CB 0.218 31.939 31.700 0.036 0.000 0.789 492 D N -1.049 119.383 120.400 0.054 0.000 2.312 492 D HA -0.035 4.605 4.640 -0.000 0.000 0.211 492 D C 1.012 177.353 176.300 0.067 0.000 0.964 492 D CA 0.743 54.776 54.000 0.054 0.000 0.877 492 D CB -0.368 40.459 40.800 0.045 0.000 0.924 492 D HN 0.296 nan 8.370 nan 0.000 0.515 493 S N 0.340 116.089 115.700 0.082 0.000 2.652 493 S HA 0.277 4.747 4.470 -0.000 0.000 0.270 493 S C -1.984 172.687 174.600 0.119 0.000 1.243 493 S CA -1.132 57.129 58.200 0.102 0.000 0.999 493 S CB 1.959 65.232 63.200 0.121 0.000 0.973 493 S HN -0.273 nan 8.310 nan 0.000 0.544 494 P HA 0.058 nan 4.420 nan 0.000 0.225 494 P C 1.024 178.438 177.300 0.190 0.000 1.148 494 P CA 0.699 63.891 63.100 0.153 0.000 0.779 494 P CB -0.106 31.692 31.700 0.163 0.000 0.780 495 L N -2.191 119.160 121.223 0.213 0.000 2.362 495 L HA -0.100 4.240 4.340 -0.000 0.000 0.219 495 L C 0.831 177.818 176.870 0.194 0.000 1.134 495 L CA 0.850 55.840 54.840 0.249 0.000 0.807 495 L CB -0.417 41.803 42.059 0.267 0.000 0.927 495 L HN 0.019 nan 8.230 nan 0.000 0.447 496 c N -0.703 117.988 118.600 0.151 0.000 2.751 496 c HA 0.494 5.064 4.570 -0.000 0.000 0.248 496 c C 1.762 175.921 174.090 0.115 0.000 1.710 496 c CA -0.382 56.021 56.329 0.124 0.000 1.676 496 c CB -0.519 42.048 42.510 0.095 0.000 3.106 496 c HN 0.464 nan 8.230 nan 0.000 0.502 497 A N 0.542 123.439 122.820 0.128 0.000 1.901 497 A HA 0.204 4.524 4.320 -0.000 0.000 0.210 497 A C 1.703 179.357 177.584 0.117 0.000 1.208 497 A CA 0.811 52.915 52.037 0.111 0.000 0.644 497 A CB -0.243 18.825 19.000 0.113 0.000 0.863 497 A HN 0.539 nan 8.150 nan 0.000 0.454 498 L N 0.343 121.651 121.223 0.141 0.000 2.478 498 L HA -0.021 4.319 4.340 -0.000 0.000 0.223 498 L C 0.261 177.293 176.870 0.270 0.000 1.140 498 L CA -0.483 54.463 54.840 0.177 0.000 0.842 498 L CB -0.724 41.416 42.059 0.134 0.000 0.953 498 L HN 0.273 nan 8.230 nan 0.000 0.452 499 c N 0.127 118.849 118.600 0.204 0.000 2.634 499 c HA 0.051 4.621 4.570 -0.000 0.000 0.418 499 c C 2.109 176.191 174.090 -0.013 0.000 1.373 499 c CA -0.585 55.833 56.329 0.147 0.000 1.756 499 c CB 0.871 43.448 42.510 0.111 0.000 2.589 499 c HN 0.173 nan 8.230 nan 0.000 0.602 500 V N 3.393 123.159 119.914 -0.247 0.000 2.284 500 V HA 0.402 4.522 4.120 -0.000 0.000 0.236 500 V C 1.383 177.395 176.094 -0.137 0.000 1.044 500 V CA 2.069 64.208 62.300 -0.268 0.000 1.019 500 V CB -1.181 30.328 31.823 -0.523 0.000 0.657 500 V HN 1.340 nan 8.190 nan 0.000 0.465 501 G N -1.902 106.814 108.800 -0.141 0.000 2.331 501 G HA2 0.362 4.322 3.960 -0.000 0.000 0.402 501 G HA3 0.362 4.322 3.960 -0.000 0.000 0.402 501 G C -0.165 174.694 174.900 -0.067 0.000 1.275 501 G CA -0.274 44.797 45.100 -0.048 0.000 1.003 501 G HN 0.794 nan 8.290 nan 0.000 0.500 502 G N -1.158 107.629 108.800 -0.022 0.000 3.099 502 G HA2 0.493 4.453 3.960 -0.000 0.000 0.151 502 G HA3 0.493 4.453 3.960 -0.000 0.000 0.151 502 G C 0.863 175.743 174.900 -0.033 0.000 1.265 502 G CA 0.706 45.751 45.100 -0.091 0.000 0.981 502 G HN 0.748 nan 8.290 nan 0.000 0.601 503 N N 0.401 119.080 118.700 -0.034 0.000 2.244 503 N HA 0.033 4.773 4.740 -0.000 0.000 0.183 503 N C 0.313 175.849 175.510 0.043 0.000 1.016 503 N CA 1.262 54.314 53.050 0.004 0.000 0.866 503 N CB -0.109 38.377 38.487 -0.002 0.000 0.980 503 N HN 0.636 nan 8.380 nan 0.000 0.430 504 N N -1.204 117.558 118.700 0.103 0.000 2.647 504 N HA 0.428 5.168 4.740 -0.000 0.000 0.266 504 N C -2.993 172.568 175.510 0.085 0.000 1.373 504 N CA -1.677 51.421 53.050 0.081 0.000 0.807 504 N CB 1.071 39.598 38.487 0.067 0.000 1.513 504 N HN -0.233 nan 8.380 nan 0.000 0.505 505 P HA 0.145 nan 4.420 nan 0.000 0.272 505 P C 0.206 177.479 177.300 -0.045 0.000 1.243 505 P CA 0.867 63.971 63.100 0.007 0.000 0.803 505 P CB 0.279 31.976 31.700 -0.004 0.000 0.974 506 A N -1.225 121.557 122.820 -0.063 0.000 3.797 506 A HA -0.199 4.121 4.320 -0.000 0.000 0.251 506 A C 1.486 178.959 177.584 -0.186 0.000 0.963 506 A CA 1.216 53.169 52.037 -0.142 0.000 1.494 506 A CB -2.872 15.998 19.000 -0.217 0.000 0.978 506 A HN 0.736 nan 8.150 nan 0.000 0.821 507 H N -1.717 117.342 119.070 -0.018 0.000 2.551 507 H HA 0.207 4.763 4.556 -0.000 0.000 0.271 507 H C 1.683 177.000 175.328 -0.019 0.000 0.984 507 H CA 0.920 56.953 56.048 -0.025 0.000 1.164 507 H CB 0.155 29.895 29.762 -0.035 0.000 1.437 507 H HN 0.621 nan 8.280 nan 0.000 0.550 508 M N 0.019 119.665 119.600 0.077 0.000 2.124 508 M HA -0.200 4.280 4.480 -0.000 0.000 0.253 508 M C 1.436 177.770 176.300 0.056 0.000 1.077 508 M CA 1.619 56.948 55.300 0.049 0.000 1.085 508 M CB -0.317 32.302 32.600 0.032 0.000 1.320 508 M HN 0.252 nan 8.290 nan 0.000 0.404 509 c N 0.240 118.876 118.600 0.060 0.000 3.061 509 c HA 0.714 5.284 4.570 -0.000 0.000 0.249 509 c C 0.453 174.586 174.090 0.073 0.000 2.060 509 c CA -0.890 55.482 56.329 0.070 0.000 1.649 509 c CB -1.829 40.718 42.510 0.061 0.000 3.268 509 c HN 0.582 nan 8.230 nan 0.000 0.457 510 A N 0.796 123.666 122.820 0.084 0.000 2.498 510 A HA 0.508 4.828 4.320 -0.000 0.000 0.239 510 A C 1.047 178.677 177.584 0.076 0.000 1.068 510 A CA 0.727 52.810 52.037 0.077 0.000 0.766 510 A CB 0.325 19.414 19.000 0.148 0.000 1.003 510 A HN 1.223 nan 8.150 nan 0.000 0.497 511 A N 3.192 126.046 122.820 0.056 0.000 2.728 511 A HA 0.352 4.672 4.320 -0.000 0.000 0.258 511 A C 0.492 178.068 177.584 -0.013 0.000 1.454 511 A CA 0.067 52.167 52.037 0.104 0.000 1.146 511 A CB -1.166 17.879 19.000 0.074 0.000 0.985 511 A HN 0.962 nan 8.150 nan 0.000 0.603 512 N N -1.124 117.396 118.700 -0.300 0.000 2.732 512 N HA 0.028 4.768 4.740 -0.000 0.000 0.259 512 N C -0.182 174.775 175.510 -0.921 0.000 1.402 512 N CA -0.593 52.114 53.050 -0.572 0.000 0.829 512 N CB 0.043 38.401 38.487 -0.214 0.000 1.495 512 N HN 0.073 nan 8.380 nan 0.000 0.511 513 N N -0.674 117.651 118.700 -0.626 0.000 2.651 513 N HA -0.107 4.633 4.740 -0.000 0.000 0.193 513 N C 0.654 176.033 175.510 -0.218 0.000 1.149 513 N CA 0.579 53.434 53.050 -0.326 0.000 0.933 513 N CB -0.332 38.086 38.487 -0.114 0.000 0.974 513 N HN 0.622 nan 8.380 nan 0.000 0.448 514 A N 0.244 122.898 122.820 -0.277 0.000 2.412 514 A HA 0.118 4.438 4.320 -0.000 0.000 0.253 514 A C 0.397 177.827 177.584 -0.257 0.000 1.334 514 A CA -0.236 51.590 52.037 -0.352 0.000 0.929 514 A CB -0.331 18.246 19.000 -0.706 0.000 0.983 514 A HN 0.374 nan 8.150 nan 0.000 0.508 515 E N -1.528 118.592 120.200 -0.134 0.000 2.248 515 E HA 0.543 4.893 4.350 -0.000 0.000 0.267 515 E C 1.068 177.636 176.600 -0.054 0.000 0.877 515 E CA -0.036 56.331 56.400 -0.055 0.000 0.759 515 E CB 1.162 30.889 29.700 0.045 0.000 1.182 515 E HN 0.003 nan 8.360 nan 0.000 0.418 516 G N 2.434 111.136 108.800 -0.163 0.000 2.448 516 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 516 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 516 G C 0.190 174.977 174.900 -0.188 0.000 1.127 516 G CA 0.694 45.635 45.100 -0.265 0.000 0.766 516 G HN 0.516 nan 8.290 nan 0.000 0.552 517 Y N -0.515 119.759 120.300 -0.043 0.000 2.720 517 Y HA 0.359 4.909 4.550 0.000 0.000 0.268 517 Y C 0.273 176.162 175.900 -0.017 0.000 1.142 517 Y CA -2.016 56.038 58.100 -0.077 0.000 1.193 517 Y CB -0.739 37.675 38.460 -0.076 0.000 1.176 517 Y HN 0.285 nan 8.280 nan 0.000 0.542 518 H N 0.056 119.172 119.070 0.076 0.000 2.502 518 H HA 0.566 5.122 4.556 -0.000 0.000 0.327 518 H C 0.765 176.124 175.328 0.051 0.000 1.099 518 H CA 0.730 56.812 56.048 0.057 0.000 1.323 518 H CB 0.706 30.486 29.762 0.030 0.000 1.450 518 H HN 0.517 nan 8.280 nan 0.000 0.502 519 G N 2.016 110.643 108.800 -0.290 0.000 2.728 519 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.294 519 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.294 519 G C 0.736 175.622 174.900 -0.024 0.000 1.342 519 G CA -0.099 44.963 45.100 -0.064 0.000 0.866 519 G HN 0.615 nan 8.290 nan 0.000 0.534 520 S N -0.628 115.083 115.700 0.018 0.000 2.406 520 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 520 S C 2.612 177.219 174.600 0.012 0.000 1.020 520 S CA 1.833 60.041 58.200 0.013 0.000 0.965 520 S CB -0.233 62.983 63.200 0.025 0.000 0.798 520 S HN 1.099 nan 8.310 nan 0.000 0.488 521 S N 1.073 116.809 115.700 0.059 0.000 2.356 521 S HA -0.055 4.415 4.470 -0.000 0.000 0.223 521 S C 2.052 176.608 174.600 -0.074 0.000 1.032 521 S CA 1.476 59.741 58.200 0.108 0.000 1.005 521 S CB -0.710 62.608 63.200 0.196 0.000 0.867 521 S HN 0.609 nan 8.310 nan 0.000 0.449 522 G N 0.463 109.232 108.800 -0.052 0.000 2.403 522 G HA2 0.051 4.011 3.960 -0.000 0.000 0.216 522 G HA3 0.051 4.011 3.960 -0.000 0.000 0.216 522 G C 1.616 176.432 174.900 -0.139 0.000 1.154 522 G CA 0.785 45.842 45.100 -0.071 0.000 0.784 522 G HN 0.639 nan 8.290 nan 0.000 0.538 523 A N 0.194 122.941 122.820 -0.123 0.000 2.024 523 A HA 0.057 4.377 4.320 -0.000 0.000 0.220 523 A C 2.284 179.706 177.584 -0.271 0.000 1.164 523 A CA 1.568 53.499 52.037 -0.177 0.000 0.643 523 A CB -0.266 18.675 19.000 -0.099 0.000 0.806 523 A HN 0.404 nan 8.150 nan 0.000 0.451 524 L N -0.677 120.390 121.223 -0.259 0.000 2.162 524 L HA 0.080 4.420 4.340 -0.000 0.000 0.205 524 L C 2.380 179.037 176.870 -0.354 0.000 1.086 524 L CA 1.814 56.505 54.840 -0.249 0.000 0.778 524 L CB -0.536 41.458 42.059 -0.108 0.000 0.928 524 L HN 0.449 nan 8.230 nan 0.000 0.446 525 R N -1.008 119.044 120.500 -0.747 0.000 2.091 525 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 525 R C 2.560 178.549 176.300 -0.518 0.000 1.136 525 R CA 1.950 57.514 56.100 -0.894 0.000 0.959 525 R CB -1.019 28.580 30.300 -1.168 0.000 0.856 525 R HN 0.621 nan 8.270 nan 0.000 0.437 526 c N 0.666 118.688 118.600 -0.964 0.000 2.413 526 c HA -0.130 4.440 4.570 -0.000 0.000 0.276 526 c C 2.618 176.350 174.090 -0.597 0.000 1.236 526 c CA 1.030 56.449 56.329 -1.517 0.000 1.735 526 c CB -1.177 40.408 42.510 -1.541 0.000 2.031 526 c HN 0.668 nan 8.230 nan 0.000 0.474 527 L N 0.911 121.910 121.223 -0.373 0.000 2.083 527 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 527 L C 2.497 179.348 176.870 -0.032 0.000 1.083 527 L CA 1.969 56.709 54.840 -0.167 0.000 0.752 527 L CB -0.704 41.297 42.059 -0.096 0.000 0.899 527 L HN 0.295 nan 8.230 nan 0.000 0.433 528 V N 0.551 120.486 119.914 0.035 0.000 2.469 528 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 528 V C 2.244 178.388 176.094 0.084 0.000 1.064 528 V CA 2.197 64.589 62.300 0.152 0.000 1.066 528 V CB -0.747 31.254 31.823 0.297 0.000 0.667 528 V HN 0.781 nan 8.190 nan 0.000 0.461 529 E N -1.779 118.440 120.200 0.030 0.000 2.541 529 E HA 0.134 4.484 4.350 -0.000 0.000 0.219 529 E C 1.498 178.119 176.600 0.035 0.000 0.922 529 E CA -0.071 56.364 56.400 0.058 0.000 1.095 529 E CB 0.379 30.152 29.700 0.122 0.000 1.112 529 E HN 0.447 nan 8.360 nan 0.000 0.516 530 K N 0.852 121.234 120.400 -0.030 0.000 2.638 530 K HA 0.212 4.532 4.320 -0.000 0.000 0.207 530 K C 1.056 177.629 176.600 -0.044 0.000 1.429 530 K CA 0.388 56.667 56.287 -0.014 0.000 0.957 530 K CB 0.610 33.128 32.500 0.030 0.000 1.733 530 K HN 0.044 nan 8.250 nan 0.000 0.474 531 G N 0.938 109.669 108.800 -0.116 0.000 2.599 531 G HA2 0.058 4.018 3.960 -0.000 0.000 0.264 531 G HA3 0.058 4.018 3.960 -0.000 0.000 0.264 531 G C -0.208 174.636 174.900 -0.094 0.000 1.200 531 G CA -0.194 44.837 45.100 -0.114 0.000 0.896 531 G HN 0.128 nan 8.290 nan 0.000 0.536 532 D N -1.311 119.037 120.400 -0.087 0.000 2.392 532 D HA 0.108 4.748 4.640 -0.000 0.000 0.206 532 D C 0.569 176.812 176.300 -0.096 0.000 1.046 532 D CA 0.570 54.538 54.000 -0.054 0.000 0.865 532 D CB 1.158 41.959 40.800 0.001 0.000 0.969 532 D HN 0.092 nan 8.370 nan 0.000 0.509 533 V N 0.225 120.010 119.914 -0.215 0.000 3.078 533 V HA 0.818 4.938 4.120 -0.000 0.000 0.311 533 V C -0.815 174.936 176.094 -0.572 0.000 1.138 533 V CA -1.095 60.996 62.300 -0.348 0.000 1.007 533 V CB 2.260 33.869 31.823 -0.357 0.000 1.045 533 V HN 0.085 nan 8.190 nan 0.000 0.432 534 A N 1.600 123.964 122.820 -0.761 0.000 2.574 534 A HA 0.922 5.242 4.320 -0.000 0.000 0.297 534 A C -1.903 175.108 177.584 -0.954 0.000 1.062 534 A CA -0.361 51.220 52.037 -0.759 0.000 0.686 534 A CB 1.524 20.289 19.000 -0.392 0.000 1.285 534 A HN 0.610 nan 8.150 nan 0.000 0.403 535 F N 2.085 121.970 119.950 -0.108 0.000 2.496 535 F HA 0.719 5.246 4.527 -0.000 0.000 0.341 535 F C 0.367 176.179 175.800 0.021 0.000 1.134 535 F CA -0.383 57.615 58.000 -0.003 0.000 0.968 535 F CB 1.771 40.812 39.000 0.068 0.000 1.205 535 F HN 0.756 nan 8.300 nan 0.000 0.436 536 M N 1.372 121.078 119.600 0.175 0.000 3.079 536 M HA 0.604 5.084 4.480 -0.000 0.000 0.277 536 M C -1.251 175.135 176.300 0.143 0.000 1.317 536 M CA -1.124 54.250 55.300 0.122 0.000 0.793 536 M CB 2.665 35.288 32.600 0.039 0.000 1.690 536 M HN 0.414 nan 8.290 nan 0.000 0.451 537 K N -0.461 120.008 120.400 0.116 0.000 2.520 537 K HA 0.383 4.703 4.320 -0.000 0.000 0.256 537 K C -0.415 176.282 176.600 0.161 0.000 1.033 537 K CA -0.598 55.784 56.287 0.158 0.000 1.007 537 K CB 0.334 32.844 32.500 0.017 0.000 1.330 537 K HN 0.797 nan 8.250 nan 0.000 0.507 538 H N 1.344 120.471 119.070 0.095 0.000 3.199 538 H HA -0.072 4.484 4.556 -0.000 0.000 0.267 538 H C -1.836 173.509 175.328 0.028 0.000 0.848 538 H CA -0.674 55.421 56.048 0.079 0.000 1.426 538 H CB -0.306 29.453 29.762 -0.005 0.000 1.350 538 H HN 0.391 nan 8.280 nan 0.000 0.527 539 P HA -0.214 nan 4.420 nan 0.000 0.035 539 P C 0.296 177.604 177.300 0.013 0.000 0.507 539 P CA 1.524 64.662 63.100 0.064 0.000 1.047 539 P CB -0.353 31.365 31.700 0.030 0.000 1.842 540 T N -3.397 111.165 114.554 0.013 0.000 3.040 540 T HA 0.037 4.387 4.350 -0.000 0.000 0.250 540 T C 1.383 176.073 174.700 -0.016 0.000 1.058 540 T CA 0.294 62.394 62.100 0.001 0.000 0.988 540 T CB -0.102 68.771 68.868 0.008 0.000 0.993 540 T HN 0.194 nan 8.240 nan 0.000 0.519 541 V N 1.276 121.162 119.914 -0.047 0.000 2.548 541 V HA 0.077 4.197 4.120 -0.000 0.000 0.249 541 V C 2.055 178.119 176.094 -0.049 0.000 1.055 541 V CA 1.192 63.428 62.300 -0.108 0.000 1.065 541 V CB -0.345 31.378 31.823 -0.168 0.000 0.681 541 V HN 0.484 nan 8.190 nan 0.000 0.462 542 L N 0.170 121.378 121.223 -0.025 0.000 2.465 542 L HA -0.006 4.334 4.340 -0.000 0.000 0.224 542 L C 2.205 179.072 176.870 -0.005 0.000 1.145 542 L CA 1.641 56.475 54.840 -0.011 0.000 0.834 542 L CB -0.609 41.422 42.059 -0.048 0.000 0.944 542 L HN 0.412 nan 8.230 nan 0.000 0.451 543 Q N -0.948 118.850 119.800 -0.004 0.000 2.444 543 Q HA 0.066 4.406 4.340 -0.000 0.000 0.206 543 Q C 0.499 176.504 176.000 0.009 0.000 0.948 543 Q CA 0.395 56.203 55.803 0.008 0.000 0.946 543 Q CB 0.236 28.988 28.738 0.023 0.000 1.027 543 Q HN 0.575 nan 8.270 nan 0.000 0.513 544 N N -0.014 118.683 118.700 -0.006 0.000 2.118 544 N HA 0.029 4.769 4.740 -0.000 0.000 0.226 544 N C -0.271 175.173 175.510 -0.111 0.000 1.305 544 N CA 0.314 53.333 53.050 -0.053 0.000 0.890 544 N CB 1.474 39.995 38.487 0.058 0.000 1.118 544 N HN 0.127 nan 8.380 nan 0.000 0.511 545 T N -2.036 112.504 114.554 -0.023 0.000 2.932 545 T HA 0.367 4.717 4.350 -0.000 0.000 0.289 545 T C -0.189 174.532 174.700 0.035 0.000 1.039 545 T CA -0.307 61.815 62.100 0.037 0.000 1.024 545 T CB 2.280 71.258 68.868 0.184 0.000 1.090 545 T HN -0.038 nan 8.240 nan 0.000 0.496 546 D N 0.312 120.732 120.400 0.033 0.000 2.746 546 D HA -0.166 4.474 4.640 -0.000 0.000 0.236 546 D C 1.144 177.440 176.300 -0.007 0.000 1.129 546 D CA 1.688 55.700 54.000 0.021 0.000 0.691 546 D CB -1.589 39.248 40.800 0.061 0.000 1.077 546 D HN 1.643 nan 8.370 nan 0.000 0.432 547 G N -0.462 108.316 108.800 -0.038 0.000 2.176 547 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.253 547 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.253 547 G C 1.160 176.032 174.900 -0.046 0.000 0.979 547 G CA 1.011 46.084 45.100 -0.046 0.000 0.641 547 G HN 0.407 nan 8.290 nan 0.000 0.530 548 K N 0.291 120.664 120.400 -0.046 0.000 2.057 548 K HA 0.039 4.359 4.320 -0.000 0.000 0.206 548 K C 1.121 177.691 176.600 -0.050 0.000 1.050 548 K CA 1.014 57.281 56.287 -0.035 0.000 0.935 548 K CB -0.051 32.435 32.500 -0.023 0.000 0.715 548 K HN 0.406 nan 8.250 nan 0.000 0.439 549 N N -0.338 118.298 118.700 -0.107 0.000 2.421 549 N HA 0.127 4.867 4.740 -0.000 0.000 0.285 549 N C -2.225 173.197 175.510 -0.147 0.000 1.027 549 N CA -1.768 51.208 53.050 -0.123 0.000 0.918 549 N CB 1.588 39.955 38.487 -0.201 0.000 1.152 549 N HN -0.188 nan 8.380 nan 0.000 0.485 550 P HA -0.034 nan 4.420 nan 0.000 0.217 550 P C -0.498 176.752 177.300 -0.083 0.000 1.151 550 P CA 0.836 63.900 63.100 -0.060 0.000 0.828 550 P CB 0.247 31.940 31.700 -0.011 0.000 0.788 551 E N 0.840 120.989 120.200 -0.086 0.000 2.604 551 E HA -0.109 4.241 4.350 -0.000 0.000 0.267 551 E C -1.202 175.310 176.600 -0.146 0.000 0.970 551 E CA -0.494 55.875 56.400 -0.051 0.000 0.956 551 E CB -0.076 29.671 29.700 0.078 0.000 0.939 551 E HN 0.280 nan 8.360 nan 0.000 0.465 552 P HA -0.208 nan 4.420 nan 0.000 0.217 552 P C 1.105 178.441 177.300 0.060 0.000 1.148 552 P CA 1.615 64.738 63.100 0.039 0.000 0.828 552 P CB -0.181 31.581 31.700 0.103 0.000 0.783 553 W N 0.587 121.924 121.300 0.061 0.000 2.519 553 W HA 0.272 4.932 4.660 -0.000 0.000 0.266 553 W C 0.349 176.918 176.519 0.084 0.000 1.253 553 W CA 0.605 57.996 57.345 0.078 0.000 1.274 553 W CB -1.052 28.467 29.460 0.099 0.000 1.114 553 W HN -0.085 nan 8.180 nan 0.000 0.596 554 A N 1.848 124.158 122.820 -0.851 0.000 3.257 554 A HA 0.300 4.620 4.320 -0.000 0.000 0.308 554 A C 1.310 178.677 177.584 -0.361 0.000 1.175 554 A CA -0.479 51.076 52.037 -0.804 0.000 1.018 554 A CB 0.020 18.194 19.000 -1.377 0.000 1.088 554 A HN -0.057 nan 8.150 nan 0.000 0.567 555 K N 0.389 120.684 120.400 -0.175 0.000 2.118 555 K HA 0.106 4.426 4.320 -0.000 0.000 0.214 555 K C 1.439 178.003 176.600 -0.060 0.000 1.023 555 K CA 1.275 57.504 56.287 -0.098 0.000 0.948 555 K CB -0.368 32.102 32.500 -0.049 0.000 0.851 555 K HN 0.403 nan 8.250 nan 0.000 0.455 556 G N 2.006 110.788 108.800 -0.030 0.000 3.782 556 G HA2 0.328 4.288 3.960 -0.000 0.000 0.288 556 G HA3 0.328 4.288 3.960 -0.000 0.000 0.288 556 G C -0.552 174.341 174.900 -0.012 0.000 1.300 556 G CA -0.199 44.888 45.100 -0.021 0.000 1.261 556 G HN -0.054 nan 8.290 nan 0.000 0.591 557 L N 0.793 122.019 121.223 0.005 0.000 2.264 557 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 557 L C 0.320 177.240 176.870 0.083 0.000 1.044 557 L CA -0.140 54.741 54.840 0.067 0.000 0.807 557 L CB 1.466 43.636 42.059 0.186 0.000 1.192 557 L HN 0.039 nan 8.230 nan 0.000 0.425 558 K N 0.961 121.378 120.400 0.029 0.000 2.203 558 K HA 0.293 4.613 4.320 -0.000 0.000 0.251 558 K C 0.565 177.216 176.600 0.084 0.000 0.944 558 K CA -0.774 55.510 56.287 -0.004 0.000 0.829 558 K CB 1.452 33.876 32.500 -0.127 0.000 1.125 558 K HN 0.675 nan 8.250 nan 0.000 0.430 559 H N 0.341 119.514 119.070 0.173 0.000 2.568 559 H HA -0.086 4.470 4.556 -0.000 0.000 0.281 559 H C 0.984 176.411 175.328 0.166 0.000 1.028 559 H CA 1.408 57.612 56.048 0.260 0.000 1.199 559 H CB -0.049 29.803 29.762 0.150 0.000 1.352 559 H HN 0.709 nan 8.280 nan 0.000 0.605 560 E N 0.319 120.446 120.200 -0.123 0.000 2.299 560 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 560 E C 0.690 177.224 176.600 -0.111 0.000 0.998 560 E CA 0.634 56.979 56.400 -0.091 0.000 0.851 560 E CB 0.047 29.643 29.700 -0.173 0.000 0.795 560 E HN 0.388 nan 8.360 nan 0.000 0.492 561 D N 0.622 120.870 120.400 -0.253 0.000 2.219 561 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 561 D C -0.109 175.854 176.300 -0.561 0.000 0.970 561 D CA 0.826 54.530 54.000 -0.494 0.000 0.851 561 D CB -0.080 40.223 40.800 -0.827 0.000 0.943 561 D HN 0.151 nan 8.370 nan 0.000 0.488 562 F N 0.354 120.328 119.950 0.040 0.000 2.458 562 F HA 0.470 4.997 4.527 -0.000 0.000 0.330 562 F C 0.546 176.376 175.800 0.050 0.000 1.082 562 F CA -0.908 57.119 58.000 0.045 0.000 0.995 562 F CB 1.481 40.517 39.000 0.060 0.000 1.170 562 F HN -0.376 nan 8.300 nan 0.000 0.478 563 E N 2.423 122.753 120.200 0.215 0.000 2.290 563 E HA 0.438 4.788 4.350 -0.000 0.000 0.274 563 E C -1.322 175.341 176.600 0.106 0.000 0.889 563 E CA -0.617 55.863 56.400 0.132 0.000 0.760 563 E CB 1.790 31.540 29.700 0.083 0.000 1.206 563 E HN 0.564 nan 8.360 nan 0.000 0.419 564 L N 3.421 124.692 121.223 0.080 0.000 2.472 564 L HA 0.342 4.682 4.340 -0.000 0.000 0.260 564 L C -0.016 176.883 176.870 0.048 0.000 1.209 564 L CA -0.211 54.662 54.840 0.054 0.000 0.817 564 L CB 0.417 42.496 42.059 0.034 0.000 1.106 564 L HN 0.462 nan 8.230 nan 0.000 0.479 565 L N 0.873 122.123 121.223 0.045 0.000 2.362 565 L HA 0.459 4.799 4.340 -0.000 0.000 0.275 565 L C -0.851 176.003 176.870 -0.028 0.000 0.998 565 L CA -0.495 54.381 54.840 0.061 0.000 0.820 565 L CB 1.753 43.908 42.059 0.159 0.000 1.270 565 L HN 0.728 nan 8.230 nan 0.000 0.415 566 c N 2.903 121.467 118.600 -0.059 0.000 2.349 566 c HA 0.351 4.921 4.570 -0.000 0.000 0.361 566 c C 1.845 175.762 174.090 -0.289 0.000 1.189 566 c CA -0.917 55.304 56.329 -0.179 0.000 2.155 566 c CB 1.116 43.540 42.510 -0.143 0.000 2.336 566 c HN 0.879 nan 8.230 nan 0.000 0.540 567 L N 1.214 122.181 121.223 -0.427 0.000 2.081 567 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 567 L C 2.266 179.026 176.870 -0.183 0.000 1.080 567 L CA 2.359 56.880 54.840 -0.530 0.000 0.754 567 L CB -0.736 41.110 42.059 -0.356 0.000 0.893 567 L HN 0.843 nan 8.230 nan 0.000 0.433 568 D N -1.040 119.311 120.400 -0.081 0.000 2.097 568 D HA -0.086 4.554 4.640 -0.000 0.000 0.195 568 D C 1.673 178.039 176.300 0.110 0.000 0.989 568 D CA 1.526 55.540 54.000 0.023 0.000 0.827 568 D CB -0.241 40.554 40.800 -0.008 0.000 0.966 568 D HN 0.345 nan 8.370 nan 0.000 0.456 569 G N -1.030 107.834 108.800 0.107 0.000 3.611 569 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 569 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 569 G C 0.594 175.562 174.900 0.114 0.000 1.023 569 G CA 0.141 45.341 45.100 0.167 0.000 0.887 569 G HN 0.680 nan 8.290 nan 0.000 0.420 570 T N 0.142 114.732 114.554 0.060 0.000 2.663 570 T HA 0.526 4.876 4.350 -0.000 0.000 0.325 570 T C 0.232 174.956 174.700 0.040 0.000 1.059 570 T CA 0.303 62.427 62.100 0.041 0.000 1.039 570 T CB 0.937 69.814 68.868 0.014 0.000 0.996 570 T HN 0.512 nan 8.240 nan 0.000 0.539 571 R N 0.748 121.268 120.500 0.034 0.000 2.561 571 R HA 0.619 4.959 4.340 -0.000 0.000 0.297 571 R C -0.391 175.922 176.300 0.020 0.000 0.969 571 R CA -0.900 55.221 56.100 0.035 0.000 0.879 571 R CB 2.102 32.431 30.300 0.048 0.000 1.178 571 R HN 0.588 nan 8.270 nan 0.000 0.445 572 K N 2.067 122.476 120.400 0.015 0.000 2.400 572 K HA 0.471 4.791 4.320 -0.000 0.000 0.246 572 K C -2.667 173.949 176.600 0.027 0.000 0.995 572 K CA -2.320 53.973 56.287 0.010 0.000 0.840 572 K CB 2.195 34.686 32.500 -0.015 0.000 1.293 572 K HN 0.233 nan 8.250 nan 0.000 0.445 573 P HA -0.102 nan 4.420 nan 0.000 0.266 573 P C 0.848 178.173 177.300 0.042 0.000 1.195 573 P CA -0.083 63.048 63.100 0.052 0.000 0.768 573 P CB 0.454 32.181 31.700 0.045 0.000 0.838 574 V N 0.419 120.375 119.914 0.070 0.000 2.867 574 V HA -0.194 3.926 4.120 -0.000 0.000 0.260 574 V C 1.889 177.982 176.094 -0.002 0.000 1.099 574 V CA 2.298 64.629 62.300 0.051 0.000 1.122 574 V CB -1.794 30.087 31.823 0.096 0.000 0.708 574 V HN 0.603 nan 8.190 nan 0.000 0.490 575 T N -0.437 114.092 114.554 -0.042 0.000 3.014 575 T HA -0.008 4.342 4.350 -0.000 0.000 0.263 575 T C 0.893 175.573 174.700 -0.034 0.000 1.078 575 T CA 0.640 62.693 62.100 -0.080 0.000 1.135 575 T CB -0.299 68.486 68.868 -0.138 0.000 0.895 575 T HN 0.592 nan 8.240 nan 0.000 0.480 576 E N 1.330 121.518 120.200 -0.020 0.000 2.079 576 E HA 0.478 4.828 4.350 -0.000 0.000 0.252 576 E C 0.140 176.722 176.600 -0.029 0.000 0.992 576 E CA -0.185 56.201 56.400 -0.023 0.000 0.829 576 E CB 1.018 30.703 29.700 -0.025 0.000 1.158 576 E HN 0.431 nan 8.360 nan 0.000 0.435 577 A N 2.233 125.040 122.820 -0.021 0.000 2.343 577 A HA -0.047 4.273 4.320 -0.000 0.000 0.223 577 A C 1.765 179.232 177.584 -0.194 0.000 1.214 577 A CA 0.004 52.025 52.037 -0.027 0.000 0.900 577 A CB 0.255 19.308 19.000 0.087 0.000 0.942 577 A HN 0.321 nan 8.150 nan 0.000 0.507 578 Q N 0.367 120.021 119.800 -0.244 0.000 2.230 578 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 578 Q C 1.255 177.098 176.000 -0.262 0.000 0.963 578 Q CA 1.867 57.394 55.803 -0.460 0.000 0.866 578 Q CB 0.031 28.671 28.738 -0.163 0.000 0.931 578 Q HN 0.526 nan 8.270 nan 0.000 0.452 579 S N -0.882 114.712 115.700 -0.177 0.000 2.468 579 S HA 0.057 4.527 4.470 -0.000 0.000 0.226 579 S C 0.688 175.138 174.600 -0.250 0.000 1.051 579 S CA 0.124 58.221 58.200 -0.171 0.000 0.943 579 S CB 0.463 63.600 63.200 -0.105 0.000 0.810 579 S HN 0.424 nan 8.310 nan 0.000 0.509 580 c N 4.326 122.803 118.600 -0.205 0.000 2.301 580 c HA 0.759 5.329 4.570 -0.000 0.000 0.313 580 c C -0.494 173.500 174.090 -0.160 0.000 1.121 580 c CA -0.566 55.639 56.329 -0.206 0.000 1.507 580 c CB -1.716 40.731 42.510 -0.104 0.000 1.975 580 c HN 0.711 nan 8.230 nan 0.000 0.425 581 H N 1.998 120.973 119.070 -0.158 0.000 2.990 581 H HA 0.518 5.074 4.556 -0.000 0.000 0.343 581 H C -0.187 175.054 175.328 -0.145 0.000 1.270 581 H CA -1.039 54.934 56.048 -0.126 0.000 1.118 581 H CB 0.496 30.183 29.762 -0.125 0.000 1.861 581 H HN 0.229 nan 8.280 nan 0.000 0.544 582 L N -0.147 121.171 121.223 0.157 0.000 2.102 582 L HA 0.587 4.927 4.340 -0.000 0.000 0.202 582 L C 0.714 177.666 176.870 0.137 0.000 1.076 582 L CA 1.051 55.896 54.840 0.009 0.000 0.761 582 L CB -0.197 41.836 42.059 -0.043 0.000 0.921 582 L HN 0.879 nan 8.230 nan 0.000 0.444 583 A N -0.961 121.956 122.820 0.161 0.000 2.569 583 A HA 0.475 4.795 4.320 -0.000 0.000 0.292 583 A C -1.340 176.147 177.584 -0.162 0.000 1.032 583 A CA -0.657 51.401 52.037 0.036 0.000 0.669 583 A CB 1.111 20.112 19.000 0.001 0.000 1.290 583 A HN -0.033 nan 8.150 nan 0.000 0.422 584 R N 0.974 121.343 120.500 -0.219 0.000 2.221 584 R HA 0.572 4.912 4.340 -0.000 0.000 0.327 584 R C -0.617 175.469 176.300 -0.357 0.000 1.033 584 R CA 0.091 55.961 56.100 -0.383 0.000 0.887 584 R CB 0.534 30.615 30.300 -0.366 0.000 1.057 584 R HN 1.256 nan 8.270 nan 0.000 0.455 585 V N 2.385 121.962 119.914 -0.562 0.000 2.815 585 V HA 0.676 4.796 4.120 -0.000 0.000 0.314 585 V C -2.357 173.265 176.094 -0.786 0.000 1.064 585 V CA -2.622 59.277 62.300 -0.667 0.000 0.952 585 V CB 1.791 33.201 31.823 -0.687 0.000 1.020 585 V HN 0.644 nan 8.190 nan 0.000 0.439 586 P HA 0.150 nan 4.420 nan 0.000 0.271 586 P C -0.381 176.769 177.300 -0.250 0.000 1.216 586 P CA 0.002 62.814 63.100 -0.480 0.000 0.771 586 P CB 0.217 31.644 31.700 -0.454 0.000 0.864 587 N N 2.773 121.495 118.700 0.036 0.000 2.371 587 N HA 0.112 4.852 4.740 -0.000 0.000 0.243 587 N C 0.218 176.102 175.510 0.623 0.000 1.287 587 N CA -0.912 52.451 53.050 0.520 0.000 0.911 587 N CB 0.527 39.410 38.487 0.660 0.000 1.142 587 N HN 0.291 nan 8.380 nan 0.000 0.451 588 R N -0.115 120.808 120.500 0.704 0.000 2.817 588 R HA 0.270 4.610 4.340 -0.000 0.000 0.264 588 R C -0.436 176.104 176.300 0.401 0.000 1.009 588 R CA 0.120 56.527 56.100 0.512 0.000 1.133 588 R CB 0.098 30.674 30.300 0.459 0.000 1.013 588 R HN 0.731 nan 8.270 nan 0.000 0.453 589 A N 0.997 124.018 122.820 0.334 0.000 2.594 589 A HA 0.441 4.761 4.320 -0.000 0.000 0.295 589 A C -0.954 176.796 177.584 0.278 0.000 1.071 589 A CA -0.785 51.358 52.037 0.177 0.000 0.685 589 A CB 1.600 20.450 19.000 -0.250 0.000 1.285 589 A HN 0.359 nan 8.150 nan 0.000 0.405 590 V N 1.383 121.374 119.914 0.129 0.000 2.546 590 V HA 0.541 4.661 4.120 -0.000 0.000 0.284 590 V C -0.678 175.383 176.094 -0.055 0.000 1.050 590 V CA 0.311 62.688 62.300 0.129 0.000 0.981 590 V CB 0.586 32.505 31.823 0.160 0.000 0.990 590 V HN 0.659 nan 8.190 nan 0.000 0.474 591 F N 2.103 121.986 119.950 -0.113 0.000 2.593 591 F HA 0.803 5.330 4.527 -0.000 0.000 0.320 591 F C 0.370 176.079 175.800 -0.151 0.000 1.060 591 F CA -0.184 57.751 58.000 -0.110 0.000 0.940 591 F CB 2.329 41.278 39.000 -0.086 0.000 1.268 591 F HN 0.545 nan 8.300 nan 0.000 0.475 592 S N 0.506 116.220 115.700 0.023 0.000 2.694 592 S HA 0.638 5.108 4.470 -0.000 0.000 0.273 592 S C -1.140 173.439 174.600 -0.034 0.000 1.180 592 S CA -0.824 57.347 58.200 -0.048 0.000 0.864 592 S CB 1.032 64.191 63.200 -0.069 0.000 1.198 592 S HN 0.554 nan 8.310 nan 0.000 0.499 593 R N 0.801 121.256 120.500 -0.076 0.000 2.531 593 R HA 0.500 4.840 4.340 -0.000 0.000 0.260 593 R C 0.943 177.248 176.300 0.009 0.000 1.144 593 R CA -0.443 55.620 56.100 -0.060 0.000 1.171 593 R CB 0.133 30.330 30.300 -0.172 0.000 1.199 593 R HN 0.568 nan 8.270 nan 0.000 0.594 594 K N 1.020 121.450 120.400 0.050 0.000 2.147 594 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 594 K C 0.950 177.590 176.600 0.066 0.000 1.049 594 K CA 2.081 58.404 56.287 0.061 0.000 0.936 594 K CB -0.063 32.483 32.500 0.077 0.000 0.722 594 K HN 0.702 nan 8.250 nan 0.000 0.446 595 D N -0.689 119.764 120.400 0.089 0.000 2.183 595 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 595 D C 0.846 177.196 176.300 0.084 0.000 0.962 595 D CA 0.736 54.788 54.000 0.087 0.000 0.849 595 D CB -0.073 40.795 40.800 0.114 0.000 0.978 595 D HN 0.002 nan 8.370 nan 0.000 0.488 596 K N 0.726 121.174 120.400 0.079 0.000 2.504 596 K HA 0.302 4.622 4.320 -0.000 0.000 0.199 596 K C 1.367 178.037 176.600 0.117 0.000 1.028 596 K CA 0.004 56.368 56.287 0.129 0.000 1.164 596 K CB 0.633 33.191 32.500 0.098 0.000 0.877 596 K HN 0.201 nan 8.250 nan 0.000 0.508 597 A N 1.502 124.366 122.820 0.074 0.000 1.832 597 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 597 A C 1.670 179.280 177.584 0.043 0.000 1.200 597 A CA 1.411 53.467 52.037 0.032 0.000 0.610 597 A CB -0.204 18.808 19.000 0.019 0.000 0.842 597 A HN 0.206 nan 8.150 nan 0.000 0.444 598 D N -1.237 119.209 120.400 0.078 0.000 2.178 598 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 598 D C 1.627 177.994 176.300 0.111 0.000 0.974 598 D CA 1.011 55.060 54.000 0.082 0.000 0.841 598 D CB -0.291 40.566 40.800 0.095 0.000 0.953 598 D HN 0.410 nan 8.370 nan 0.000 0.478 599 F N 1.972 121.933 119.950 0.019 0.000 2.075 599 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 599 F C 2.209 178.028 175.800 0.032 0.000 1.113 599 F CA 1.029 59.046 58.000 0.028 0.000 1.218 599 F CB -0.489 38.525 39.000 0.024 0.000 0.984 599 F HN -0.244 nan 8.300 nan 0.000 0.472 600 V N 1.229 121.073 119.914 -0.117 0.000 2.407 600 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 600 V C 2.598 178.592 176.094 -0.167 0.000 1.055 600 V CA 2.160 64.354 62.300 -0.177 0.000 1.049 600 V CB -0.929 30.890 31.823 -0.008 0.000 0.662 600 V HN 0.344 nan 8.190 nan 0.000 0.455 601 R N 0.285 120.692 120.500 -0.154 0.000 2.073 601 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 601 R C 2.598 178.732 176.300 -0.277 0.000 1.134 601 R CA 1.639 57.578 56.100 -0.269 0.000 0.952 601 R CB -0.341 29.837 30.300 -0.204 0.000 0.850 601 R HN 0.355 nan 8.270 nan 0.000 0.433 602 R N 0.601 121.036 120.500 -0.110 0.000 2.081 602 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 602 R C 1.979 178.254 176.300 -0.042 0.000 1.131 602 R CA 1.384 57.489 56.100 0.009 0.000 0.960 602 R CB -0.158 30.152 30.300 0.018 0.000 0.856 602 R HN 0.277 nan 8.270 nan 0.000 0.436 603 I N 1.105 121.545 120.570 -0.217 0.000 2.439 603 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 603 I C 2.343 178.448 176.117 -0.020 0.000 1.139 603 I CA 0.853 62.038 61.300 -0.191 0.000 1.438 603 I CB -0.891 36.847 38.000 -0.436 0.000 1.085 603 I HN 0.213 nan 8.210 nan 0.000 0.427 604 L N -0.820 120.381 121.223 -0.036 0.000 2.109 604 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 604 L C 2.505 179.422 176.870 0.078 0.000 1.086 604 L CA 0.920 55.788 54.840 0.046 0.000 0.760 604 L CB -0.456 41.609 42.059 0.010 0.000 0.910 604 L HN 0.046 nan 8.230 nan 0.000 0.437 605 F N 0.561 120.541 119.950 0.051 0.000 2.113 605 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 605 F C 2.481 178.291 175.800 0.016 0.000 1.103 605 F CA 1.441 59.459 58.000 0.030 0.000 1.248 605 F CB -1.052 37.957 39.000 0.015 0.000 0.999 605 F HN 0.190 nan 8.300 nan 0.000 0.475 606 N N 0.090 118.926 118.700 0.228 0.000 2.036 606 N HA -0.217 4.523 4.740 -0.000 0.000 0.195 606 N C 1.759 177.329 175.510 0.100 0.000 1.037 606 N CA 1.776 54.900 53.050 0.123 0.000 0.855 606 N CB -0.214 38.330 38.487 0.096 0.000 1.033 606 N HN 0.153 nan 8.380 nan 0.000 0.423 607 Q N -0.093 119.802 119.800 0.159 0.000 2.119 607 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 607 Q C 1.995 178.067 176.000 0.120 0.000 0.972 607 Q CA 1.572 57.519 55.803 0.239 0.000 0.847 607 Q CB -0.445 28.542 28.738 0.415 0.000 0.903 607 Q HN 0.854 nan 8.270 nan 0.000 0.433 608 Q N 0.035 119.861 119.800 0.044 0.000 2.378 608 Q HA -0.091 4.249 4.340 -0.000 0.000 0.205 608 Q C 1.519 177.497 176.000 -0.036 0.000 0.954 608 Q CA 1.039 56.810 55.803 -0.053 0.000 0.901 608 Q CB -0.002 28.771 28.738 0.059 0.000 0.981 608 Q HN 0.056 nan 8.270 nan 0.000 0.483 609 E N 1.342 121.528 120.200 -0.024 0.000 2.152 609 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 609 E C 1.576 178.065 176.600 -0.186 0.000 0.983 609 E CA 1.057 57.414 56.400 -0.072 0.000 0.818 609 E CB -0.016 29.660 29.700 -0.041 0.000 0.758 609 E HN 0.531 nan 8.360 nan 0.000 0.467 610 L N -1.588 119.443 121.223 -0.320 0.000 2.200 610 L HA 0.140 4.480 4.340 -0.000 0.000 0.200 610 L C 0.963 177.296 176.870 -0.894 0.000 1.072 610 L CA 0.436 54.865 54.840 -0.686 0.000 0.787 610 L CB -0.008 41.462 42.059 -0.981 0.000 0.957 610 L HN 0.031 nan 8.230 nan 0.000 0.459 611 F N -0.270 119.629 119.950 -0.084 0.000 2.668 611 F HA 0.373 4.900 4.527 0.000 0.000 0.301 611 F C 1.464 177.069 175.800 -0.325 0.000 1.106 611 F CA -0.560 57.334 58.000 -0.178 0.000 1.289 611 F CB -0.440 38.482 39.000 -0.130 0.000 1.006 611 F HN -0.104 nan 8.300 nan 0.000 0.535 612 G N 0.501 109.213 108.800 -0.148 0.000 2.529 612 G HA2 0.076 4.036 3.960 -0.000 0.000 0.234 612 G HA3 0.076 4.036 3.960 -0.000 0.000 0.234 612 G C 1.094 175.984 174.900 -0.016 0.000 1.527 612 G CA -0.419 44.657 45.100 -0.041 0.000 1.062 612 G HN 0.051 nan 8.290 nan 0.000 0.558 613 R N 0.540 121.059 120.500 0.031 0.000 2.319 613 R HA -0.010 4.330 4.340 -0.000 0.000 0.204 613 R C 0.937 177.157 176.300 -0.134 0.000 0.954 613 R CA 0.418 56.483 56.100 -0.058 0.000 1.066 613 R CB -0.645 29.608 30.300 -0.078 0.000 0.991 613 R HN 0.646 nan 8.270 nan 0.000 0.486 614 N N -0.826 117.784 118.700 -0.151 0.000 2.327 614 N HA 0.050 4.790 4.740 -0.000 0.000 0.231 614 N C 0.774 176.101 175.510 -0.305 0.000 1.130 614 N CA -0.061 52.857 53.050 -0.221 0.000 0.845 614 N CB 0.514 38.893 38.487 -0.180 0.000 1.073 614 N HN -0.018 nan 8.380 nan 0.000 0.496 615 G N -0.576 108.063 108.800 -0.269 0.000 2.666 615 G HA2 0.389 4.349 3.960 -0.000 0.000 0.207 615 G HA3 0.389 4.349 3.960 -0.000 0.000 0.207 615 G C -0.343 174.301 174.900 -0.425 0.000 1.481 615 G CA -0.232 44.727 45.100 -0.236 0.000 1.071 615 G HN 0.187 nan 8.290 nan 0.000 0.572 616 F N -2.288 117.620 119.950 -0.070 0.000 1.964 616 F HA 0.333 4.860 4.527 -0.000 0.000 0.248 616 F C 2.190 177.935 175.800 -0.091 0.000 1.051 616 F CA 0.411 58.374 58.000 -0.062 0.000 1.221 616 F CB 0.765 39.747 39.000 -0.030 0.000 1.497 616 F HN 0.441 nan 8.300 nan 0.000 0.653 617 E N -2.679 117.584 120.200 0.104 0.000 3.777 617 E HA 0.150 4.500 4.350 -0.000 0.000 0.247 617 E C -0.201 176.151 176.600 -0.413 0.000 1.256 617 E CA 0.386 56.740 56.400 -0.076 0.000 1.786 617 E CB 1.087 30.844 29.700 0.095 0.000 1.722 617 E HN 0.219 nan 8.360 nan 0.000 0.810 618 Y N -0.543 119.807 120.300 0.084 0.000 2.861 618 Y HA 0.279 4.829 4.550 0.000 0.000 0.284 618 Y C 1.428 177.385 175.900 0.095 0.000 1.006 618 Y CA -0.136 58.007 58.100 0.072 0.000 1.245 618 Y CB 0.346 38.837 38.460 0.052 0.000 1.415 618 Y HN -0.018 nan 8.280 nan 0.000 0.586 619 M N -0.701 119.019 119.600 0.200 0.000 2.200 619 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 619 M C 1.666 178.090 176.300 0.206 0.000 1.074 619 M CA 1.812 57.220 55.300 0.179 0.000 1.098 619 M CB -0.367 32.331 32.600 0.162 0.000 1.268 619 M HN 0.117 nan 8.290 nan 0.000 0.432 620 M N -0.364 119.369 119.600 0.222 0.000 2.511 620 M HA 0.039 4.519 4.480 -0.000 0.000 0.176 620 M C 0.080 176.625 176.300 0.408 0.000 1.027 620 M CA 1.072 56.564 55.300 0.320 0.000 1.164 620 M CB -0.567 32.182 32.600 0.248 0.000 0.783 620 M HN 0.213 nan 8.290 nan 0.000 0.608 621 F N 0.023 120.142 119.950 0.281 0.000 2.604 621 F HA 0.366 4.893 4.527 -0.000 0.000 0.316 621 F C -1.549 174.223 175.800 -0.047 0.000 1.136 621 F CA -1.067 56.943 58.000 0.015 0.000 0.989 621 F CB 1.211 39.983 39.000 -0.379 0.000 1.258 621 F HN 0.252 nan 8.300 nan 0.000 0.451 622 Q N 6.338 125.587 119.800 -0.917 0.000 2.322 622 Q HA 0.373 4.713 4.340 -0.000 0.000 0.256 622 Q C 0.770 175.925 176.000 -1.408 0.000 0.960 622 Q CA -0.140 55.143 55.803 -0.866 0.000 0.934 622 Q CB 1.508 29.965 28.738 -0.468 0.000 1.200 622 Q HN 0.844 nan 8.270 nan 0.000 0.435 623 M N -0.862 118.011 119.600 -1.212 0.000 2.567 623 M HA 0.296 4.776 4.480 -0.000 0.000 0.261 623 M C -0.179 175.672 176.300 -0.748 0.000 1.180 623 M CA 0.815 55.397 55.300 -1.196 0.000 1.143 623 M CB 0.448 32.156 32.600 -1.487 0.000 1.319 623 M HN 0.322 nan 8.290 nan 0.000 0.490 624 F N 1.928 121.604 119.950 -0.458 0.000 2.713 624 F HA 0.442 4.969 4.527 -0.000 0.000 0.294 624 F C -0.088 175.592 175.800 -0.201 0.000 1.152 624 F CA -0.424 57.385 58.000 -0.317 0.000 1.385 624 F CB -0.202 38.587 39.000 -0.351 0.000 0.981 624 F HN 0.223 nan 8.300 nan 0.000 0.514 625 E N 0.667 120.810 120.200 -0.095 0.000 2.334 625 E HA 0.308 4.658 4.350 -0.000 0.000 0.280 625 E C -0.891 175.662 176.600 -0.078 0.000 0.899 625 E CA -0.436 55.922 56.400 -0.070 0.000 0.813 625 E CB 1.037 30.669 29.700 -0.113 0.000 1.318 625 E HN 0.011 nan 8.360 nan 0.000 0.399 626 S N 2.334 118.035 115.700 0.002 0.000 2.489 626 S HA 0.375 4.845 4.470 -0.000 0.000 0.291 626 S C 1.174 175.803 174.600 0.048 0.000 1.151 626 S CA 0.028 58.244 58.200 0.026 0.000 1.082 626 S CB 1.528 64.765 63.200 0.062 0.000 1.019 626 S HN 0.608 nan 8.310 nan 0.000 0.492 627 S N 3.292 119.027 115.700 0.060 0.000 2.372 627 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 627 S C 1.408 176.053 174.600 0.074 0.000 1.044 627 S CA 1.009 59.254 58.200 0.074 0.000 1.050 627 S CB -1.137 62.107 63.200 0.073 0.000 0.901 627 S HN 1.165 nan 8.310 nan 0.000 0.447 628 A N 2.137 125.002 122.820 0.075 0.000 3.909 628 A HA 0.628 4.948 4.320 -0.000 0.000 0.180 628 A C 0.284 177.927 177.584 0.098 0.000 1.812 628 A CA -0.059 52.030 52.037 0.088 0.000 1.557 628 A CB 0.248 19.296 19.000 0.079 0.000 1.216 628 A HN 0.238 nan 8.150 nan 0.000 0.386 629 K N 0.934 121.398 120.400 0.106 0.000 2.471 629 K HA 0.325 4.645 4.320 -0.000 0.000 0.252 629 K C -1.574 175.096 176.600 0.115 0.000 0.938 629 K CA -0.394 55.962 56.287 0.115 0.000 0.796 629 K CB 1.365 33.947 32.500 0.136 0.000 1.161 629 K HN 0.555 nan 8.250 nan 0.000 0.425 630 D N 1.459 121.929 120.400 0.117 0.000 2.751 630 D HA -0.221 4.419 4.640 -0.000 0.000 0.233 630 D C -0.174 176.200 176.300 0.122 0.000 1.149 630 D CA 0.750 54.829 54.000 0.132 0.000 0.682 630 D CB -1.264 39.620 40.800 0.139 0.000 1.068 630 D HN 0.398 nan 8.370 nan 0.000 0.429 631 L N 0.313 121.598 121.223 0.103 0.000 2.433 631 L HA 0.170 4.510 4.340 -0.000 0.000 0.275 631 L C 2.043 178.958 176.870 0.075 0.000 1.128 631 L CA -0.250 54.642 54.840 0.086 0.000 0.875 631 L CB 0.355 42.461 42.059 0.079 0.000 1.171 631 L HN 0.195 nan 8.230 nan 0.000 0.463 632 L N 1.773 123.018 121.223 0.037 0.000 3.015 632 L HA -0.331 4.009 4.340 -0.000 0.000 0.389 632 L C -0.386 176.239 176.870 -0.407 0.000 0.737 632 L CA 1.397 56.172 54.840 -0.109 0.000 3.213 632 L CB -0.947 41.051 42.059 -0.100 0.000 0.600 632 L HN 0.416 nan 8.230 nan 0.000 0.774 633 F N -0.541 119.490 119.950 0.136 0.000 2.601 633 F HA 0.456 4.983 4.527 -0.000 0.000 0.309 633 F C 0.573 176.439 175.800 0.110 0.000 1.089 633 F CA -0.654 57.432 58.000 0.142 0.000 0.940 633 F CB 1.715 40.814 39.000 0.165 0.000 1.273 633 F HN -0.270 nan 8.300 nan 0.000 0.450 634 S N 1.179 117.063 115.700 0.306 0.000 2.552 634 S HA -0.015 4.455 4.470 -0.000 0.000 0.289 634 S C 0.396 175.101 174.600 0.175 0.000 1.304 634 S CA -0.308 58.029 58.200 0.228 0.000 1.063 634 S CB 0.369 63.767 63.200 0.330 0.000 0.848 634 S HN 0.515 nan 8.310 nan 0.000 0.499 635 D N 1.476 121.959 120.400 0.139 0.000 2.403 635 D HA -0.064 4.576 4.640 -0.000 0.000 0.227 635 D C 1.006 177.349 176.300 0.071 0.000 0.995 635 D CA 0.739 54.795 54.000 0.093 0.000 0.928 635 D CB -0.057 40.790 40.800 0.079 0.000 0.887 635 D HN 0.663 nan 8.370 nan 0.000 0.529 636 D N -1.436 119.023 120.400 0.098 0.000 2.535 636 D HA -0.004 4.636 4.640 -0.000 0.000 0.229 636 D C -0.012 176.303 176.300 0.025 0.000 1.238 636 D CA -0.187 53.864 54.000 0.086 0.000 0.824 636 D CB -0.181 40.702 40.800 0.139 0.000 1.045 636 D HN -0.222 nan 8.370 nan 0.000 0.500 637 T N 0.969 115.434 114.554 -0.147 0.000 2.910 637 T HA 0.117 4.467 4.350 -0.000 0.000 0.293 637 T C 1.156 175.538 174.700 -0.531 0.000 1.015 637 T CA -0.212 61.604 62.100 -0.473 0.000 1.094 637 T CB 2.296 70.793 68.868 -0.620 0.000 0.968 637 T HN -0.026 nan 8.240 nan 0.000 0.521 638 E N 0.231 120.088 120.200 -0.571 0.000 2.162 638 E HA 0.136 4.486 4.350 -0.000 0.000 0.193 638 E C 1.056 177.190 176.600 -0.776 0.000 0.953 638 E CA 0.532 56.637 56.400 -0.491 0.000 0.849 638 E CB 0.211 29.735 29.700 -0.293 0.000 0.810 638 E HN 0.824 nan 8.360 nan 0.000 0.470 639 c N -1.771 116.264 118.600 -0.942 0.000 3.227 639 c HA 0.621 5.191 4.570 -0.000 0.000 0.370 639 c C -1.499 172.235 174.090 -0.593 0.000 2.154 639 c CA -1.123 54.671 56.329 -0.891 0.000 1.130 639 c CB 0.363 42.701 42.510 -0.286 0.000 2.494 639 c HN 0.110 nan 8.230 nan 0.000 0.413 640 L N 2.335 123.492 121.223 -0.111 0.000 2.372 640 L HA 0.596 4.936 4.340 -0.000 0.000 0.274 640 L C -0.114 176.827 176.870 0.119 0.000 0.988 640 L CA 0.153 55.007 54.840 0.023 0.000 0.833 640 L CB 1.934 44.058 42.059 0.109 0.000 1.236 640 L HN 0.807 nan 8.230 nan 0.000 0.410 641 S N 1.563 117.315 115.700 0.087 0.000 2.617 641 S HA 0.411 4.881 4.470 -0.000 0.000 0.283 641 S C -0.148 174.547 174.600 0.159 0.000 1.189 641 S CA -0.860 57.422 58.200 0.137 0.000 1.036 641 S CB 1.162 64.413 63.200 0.084 0.000 1.014 641 S HN 0.475 nan 8.310 nan 0.000 0.522 642 N N 1.266 120.090 118.700 0.206 0.000 2.479 642 N HA 0.147 4.887 4.740 -0.000 0.000 0.257 642 N C 1.069 176.654 175.510 0.125 0.000 1.232 642 N CA -0.099 53.060 53.050 0.180 0.000 0.920 642 N CB 0.174 38.777 38.487 0.193 0.000 1.105 642 N HN 0.493 nan 8.380 nan 0.000 0.444 643 L N 0.760 122.041 121.223 0.097 0.000 2.156 643 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 643 L C 0.986 177.920 176.870 0.107 0.000 1.095 643 L CA 0.698 55.609 54.840 0.117 0.000 0.770 643 L CB -0.206 41.894 42.059 0.067 0.000 0.914 643 L HN 0.506 nan 8.230 nan 0.000 0.439 644 Q N -0.397 119.453 119.800 0.084 0.000 1.436 644 Q HA -0.304 4.036 4.340 -0.000 0.000 0.307 644 Q C 1.024 177.058 176.000 0.057 0.000 0.896 644 Q CA 1.920 57.762 55.803 0.066 0.000 0.875 644 Q CB -1.425 27.348 28.738 0.058 0.000 3.286 644 Q HN 0.288 nan 8.270 nan 0.000 0.550 645 D N 1.454 121.883 120.400 0.049 0.000 2.183 645 D HA -0.030 4.610 4.640 -0.000 0.000 0.203 645 D C 0.491 176.823 176.300 0.053 0.000 0.969 645 D CA 1.097 55.123 54.000 0.042 0.000 0.842 645 D CB -0.111 40.706 40.800 0.029 0.000 0.957 645 D HN 0.251 nan 8.370 nan 0.000 0.484 646 K N 1.360 121.804 120.400 0.073 0.000 2.978 646 K HA 0.011 4.331 4.320 -0.000 0.000 0.261 646 K C 1.074 177.750 176.600 0.126 0.000 1.181 646 K CA 0.133 56.488 56.287 0.113 0.000 1.164 646 K CB -0.493 32.107 32.500 0.166 0.000 1.331 646 K HN 0.232 nan 8.250 nan 0.000 0.266 647 T N -3.015 111.586 114.554 0.079 0.000 2.995 647 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 647 T C 1.080 175.817 174.700 0.062 0.000 1.091 647 T CA 0.603 62.735 62.100 0.053 0.000 1.128 647 T CB -0.092 68.802 68.868 0.044 0.000 0.891 647 T HN 0.165 nan 8.240 nan 0.000 0.492 648 T N 0.829 115.445 114.554 0.103 0.000 2.923 648 T HA 0.434 4.784 4.350 -0.000 0.000 0.281 648 T C 0.711 175.564 174.700 0.254 0.000 0.995 648 T CA -0.516 61.680 62.100 0.161 0.000 0.985 648 T CB 0.957 69.890 68.868 0.108 0.000 1.114 648 T HN 0.393 nan 8.240 nan 0.000 0.548 649 Y N -0.024 120.418 120.300 0.237 0.000 2.395 649 Y HA 0.287 4.837 4.550 0.000 0.000 0.293 649 Y C 2.109 178.200 175.900 0.318 0.000 1.123 649 Y CA 0.612 58.941 58.100 0.381 0.000 1.227 649 Y CB -0.279 38.446 38.460 0.442 0.000 1.012 649 Y HN 0.378 nan 8.280 nan 0.000 0.552 650 K N 0.616 120.664 120.400 -0.587 0.000 2.025 650 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 650 K C 2.087 178.612 176.600 -0.125 0.000 1.049 650 K CA 2.128 58.118 56.287 -0.494 0.000 0.933 650 K CB -0.365 31.860 32.500 -0.458 0.000 0.714 650 K HN 0.572 nan 8.250 nan 0.000 0.438 651 T N -1.981 112.552 114.554 -0.036 0.000 3.085 651 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 651 T C 1.641 176.370 174.700 0.049 0.000 1.127 651 T CA 0.435 62.543 62.100 0.013 0.000 1.103 651 T CB -0.194 68.692 68.868 0.029 0.000 0.921 651 T HN 0.215 nan 8.240 nan 0.000 0.510 652 Y N 1.618 121.940 120.300 0.037 0.000 2.230 652 Y HA 0.372 4.922 4.550 -0.000 0.000 0.294 652 Y C 1.905 177.854 175.900 0.081 0.000 1.120 652 Y CA 0.516 58.660 58.100 0.073 0.000 1.129 652 Y CB -0.172 38.364 38.460 0.127 0.000 1.040 652 Y HN 0.083 nan 8.280 nan 0.000 0.519 653 L N 0.124 121.415 121.223 0.114 0.000 2.217 653 L HA 0.160 4.500 4.340 -0.000 0.000 0.211 653 L C 1.192 178.062 176.870 0.000 0.000 1.107 653 L CA 0.676 55.563 54.840 0.078 0.000 0.783 653 L CB -1.120 41.180 42.059 0.403 0.000 0.919 653 L HN 0.479 nan 8.230 nan 0.000 0.442 654 G N -0.743 108.058 108.800 0.001 0.000 2.712 654 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.683 654 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.683 654 G C -2.452 172.473 174.900 0.042 0.000 1.320 654 G CA -0.428 44.666 45.100 -0.009 0.000 0.847 654 G HN -0.052 nan 8.290 nan 0.000 0.553 655 P HA 0.004 nan 4.420 nan 0.000 0.215 655 P C 1.917 179.248 177.300 0.052 0.000 1.157 655 P CA 1.678 64.797 63.100 0.032 0.000 0.856 655 P CB 0.037 31.744 31.700 0.013 0.000 0.786 656 Q N -1.245 118.584 119.800 0.048 0.000 2.002 656 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 656 Q C 2.265 178.311 176.000 0.078 0.000 0.988 656 Q CA 1.700 57.533 55.803 0.050 0.000 0.843 656 Q CB -1.016 27.745 28.738 0.038 0.000 0.908 656 Q HN 0.269 nan 8.270 nan 0.000 0.420 657 Y N 1.008 121.294 120.300 -0.024 0.000 2.200 657 Y HA -0.209 4.341 4.550 -0.000 0.000 0.290 657 Y C 2.098 178.022 175.900 0.039 0.000 1.137 657 Y CA 1.000 59.089 58.100 -0.020 0.000 1.163 657 Y CB -0.146 38.294 38.460 -0.034 0.000 0.988 657 Y HN 0.073 nan 8.280 nan 0.000 0.518 658 L N -0.626 120.719 121.223 0.204 0.000 2.083 658 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 658 L C 2.528 179.482 176.870 0.140 0.000 1.083 658 L CA 2.467 57.447 54.840 0.234 0.000 0.752 658 L CB -1.033 41.158 42.059 0.219 0.000 0.899 658 L HN 0.290 nan 8.230 nan 0.000 0.433 659 T N -1.585 113.010 114.554 0.069 0.000 2.995 659 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 659 T C 1.730 176.419 174.700 -0.019 0.000 1.091 659 T CA 1.065 63.192 62.100 0.045 0.000 1.128 659 T CB -0.173 68.717 68.868 0.036 0.000 0.891 659 T HN 0.301 nan 8.240 nan 0.000 0.492 660 L N 0.443 121.601 121.223 -0.109 0.000 2.179 660 L HA 0.211 4.551 4.340 -0.000 0.000 0.208 660 L C 1.933 178.655 176.870 -0.247 0.000 1.096 660 L CA 1.504 56.228 54.840 -0.193 0.000 0.779 660 L CB -0.370 41.499 42.059 -0.316 0.000 0.922 660 L HN 0.180 nan 8.230 nan 0.000 0.443 661 M N -0.855 118.537 119.600 -0.347 0.000 2.562 661 M HA -0.017 4.463 4.480 -0.000 0.000 0.257 661 M C 1.111 177.212 176.300 -0.331 0.000 1.099 661 M CA 0.724 55.705 55.300 -0.533 0.000 1.099 661 M CB -0.858 31.102 32.600 -1.067 0.000 1.427 661 M HN 0.263 nan 8.290 nan 0.000 0.489 662 D N -0.004 120.367 120.400 -0.049 0.000 2.262 662 D HA 0.011 4.651 4.640 -0.000 0.000 0.212 662 D C 1.285 177.593 176.300 0.013 0.000 0.964 662 D CA 0.803 54.846 54.000 0.073 0.000 0.875 662 D CB -0.243 40.646 40.800 0.148 0.000 0.996 662 D HN 0.446 nan 8.370 nan 0.000 0.497 663 N N -0.652 118.051 118.700 0.006 0.000 2.467 663 N HA 0.033 4.773 4.740 -0.000 0.000 0.184 663 N C 0.804 176.319 175.510 0.007 0.000 1.106 663 N CA -0.003 53.061 53.050 0.023 0.000 0.892 663 N CB 0.312 38.829 38.487 0.051 0.000 0.969 663 N HN 0.043 nan 8.380 nan 0.000 0.454 664 F N 0.587 120.401 119.950 -0.228 0.000 2.717 664 F HA 0.288 4.815 4.527 -0.000 0.000 0.297 664 F C 2.114 177.730 175.800 -0.307 0.000 1.113 664 F CA -0.414 57.395 58.000 -0.319 0.000 1.319 664 F CB 0.326 39.119 39.000 -0.345 0.000 1.097 664 F HN -0.220 nan 8.300 nan 0.000 0.595 665 R N 0.810 121.137 120.500 -0.288 0.000 2.154 665 R HA -0.272 4.068 4.340 -0.000 0.000 0.248 665 R C 2.216 178.323 176.300 -0.322 0.000 1.155 665 R CA 2.109 58.045 56.100 -0.273 0.000 0.979 665 R CB -0.376 29.873 30.300 -0.085 0.000 0.869 665 R HN 0.466 nan 8.270 nan 0.000 0.452 666 Q N -0.533 119.056 119.800 -0.352 0.000 2.135 666 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 666 Q C 1.530 177.273 176.000 -0.429 0.000 0.981 666 Q CA 1.773 57.383 55.803 -0.321 0.000 0.856 666 Q CB 0.016 28.583 28.738 -0.285 0.000 0.902 666 Q HN 0.480 nan 8.270 nan 0.000 0.425 667 c N 0.335 118.488 118.600 -0.746 0.000 2.618 667 c HA 0.259 4.829 4.570 -0.000 0.000 0.264 667 c C 0.678 174.453 174.090 -0.524 0.000 1.334 667 c CA -0.525 55.386 56.329 -0.696 0.000 1.731 667 c CB -0.687 41.276 42.510 -0.911 0.000 1.852 667 c HN 0.355 nan 8.230 nan 0.000 0.566 668 L N 1.500 122.406 121.223 -0.528 0.000 2.313 668 L HA 0.152 4.492 4.340 -0.000 0.000 0.282 668 L C 0.558 177.382 176.870 -0.076 0.000 1.092 668 L CA 0.431 55.143 54.840 -0.213 0.000 0.831 668 L CB 0.755 42.696 42.059 -0.197 0.000 1.159 668 L HN 0.032 nan 8.230 nan 0.000 0.442 669 S N 1.345 117.061 115.700 0.027 0.000 2.560 669 S HA 0.068 4.538 4.470 -0.000 0.000 0.227 669 S C 0.345 174.971 174.600 0.044 0.000 1.280 669 S CA -0.252 57.966 58.200 0.031 0.000 1.260 669 S CB 0.272 63.506 63.200 0.057 0.000 1.002 669 S HN 0.595 nan 8.310 nan 0.000 0.509 670 S N 1.684 117.406 115.700 0.037 0.000 2.422 670 S HA 0.148 4.618 4.470 -0.000 0.000 0.283 670 S C 1.214 175.841 174.600 0.045 0.000 1.163 670 S CA -0.546 57.686 58.200 0.053 0.000 1.054 670 S CB 0.313 63.548 63.200 0.058 0.000 0.967 670 S HN 0.541 nan 8.310 nan 0.000 0.499 671 E N 4.074 124.300 120.200 0.043 0.000 2.150 671 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 671 E C 1.611 178.229 176.600 0.031 0.000 0.985 671 E CA 0.586 57.004 56.400 0.030 0.000 0.814 671 E CB -0.058 29.654 29.700 0.020 0.000 0.752 671 E HN 0.525 nan 8.360 nan 0.000 0.466 672 L N 1.073 122.321 121.223 0.041 0.000 1.970 672 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 672 L C 2.452 179.348 176.870 0.042 0.000 1.071 672 L CA 1.389 56.252 54.840 0.038 0.000 0.751 672 L CB -0.955 41.134 42.059 0.050 0.000 0.889 672 L HN 0.224 nan 8.230 nan 0.000 0.432 673 L N -0.021 121.234 121.223 0.053 0.000 2.129 673 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 673 L C 1.959 178.867 176.870 0.064 0.000 1.087 673 L CA 1.864 56.738 54.840 0.056 0.000 0.757 673 L CB -0.682 41.411 42.059 0.058 0.000 0.896 673 L HN 0.326 nan 8.230 nan 0.000 0.434 674 D N -0.901 119.533 120.400 0.056 0.000 2.333 674 D HA 0.076 4.716 4.640 -0.000 0.000 0.208 674 D C 2.032 178.376 176.300 0.073 0.000 0.984 674 D CA 0.963 55.004 54.000 0.068 0.000 0.873 674 D CB 0.328 41.164 40.800 0.059 0.000 0.935 674 D HN 0.511 nan 8.370 nan 0.000 0.521 675 A N 0.316 123.159 122.820 0.038 0.000 1.935 675 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 675 A C 2.351 179.930 177.584 -0.008 0.000 1.178 675 A CA 0.575 52.616 52.037 0.008 0.000 0.640 675 A CB -0.527 18.467 19.000 -0.010 0.000 0.825 675 A HN 0.278 nan 8.150 nan 0.000 0.447 676 c N -0.335 118.271 118.600 0.010 0.000 2.467 676 c HA -0.006 4.564 4.570 -0.000 0.000 0.279 676 c C 2.681 176.765 174.090 -0.010 0.000 1.347 676 c CA 1.414 57.747 56.329 0.008 0.000 1.748 676 c CB -1.144 41.394 42.510 0.046 0.000 1.977 676 c HN 0.752 nan 8.230 nan 0.000 0.501 677 T N -1.984 112.591 114.554 0.035 0.000 3.144 677 T HA 0.068 4.418 4.350 -0.000 0.000 0.249 677 T C 1.139 175.856 174.700 0.028 0.000 1.089 677 T CA -0.013 62.121 62.100 0.057 0.000 0.989 677 T CB -0.449 68.484 68.868 0.109 0.000 0.992 677 T HN 0.384 nan 8.240 nan 0.000 0.540 678 F N 4.139 123.982 119.950 -0.178 0.000 1.997 678 F HA -0.051 4.476 4.527 0.000 0.000 0.296 678 F C 1.148 176.899 175.800 -0.082 0.000 1.160 678 F CA 1.003 58.917 58.000 -0.142 0.000 1.176 678 F CB -0.934 37.962 39.000 -0.174 0.000 0.964 678 F HN 0.445 nan 8.300 nan 0.000 0.484 679 H N 0.620 119.630 119.070 -0.100 0.000 3.086 679 H HA 0.233 4.789 4.556 -0.000 0.000 0.265 679 H C 1.007 176.287 175.328 -0.080 0.000 1.092 679 H CA -0.838 55.094 56.048 -0.193 0.000 1.487 679 H CB -0.104 29.605 29.762 -0.087 0.000 1.514 679 H HN 0.115 nan 8.280 nan 0.000 0.497 680 K N 2.443 122.875 120.400 0.055 0.000 2.107 680 K HA -0.200 4.120 4.320 -0.000 0.000 0.211 680 K C 0.102 176.806 176.600 0.174 0.000 1.049 680 K CA 1.614 57.955 56.287 0.089 0.000 0.927 680 K CB -0.191 32.346 32.500 0.061 0.000 0.714 680 K HN 0.785 nan 8.250 nan 0.000 0.452 681 Y N 0.000 120.253 120.300 -0.079 0.000 2.660 681 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 681 Y CA 0.000 57.981 58.100 -0.198 0.000 1.940 681 Y CB 0.000 38.330 38.460 -0.216 0.000 1.050 681 Y HN 0.000 nan 8.280 nan 0.000 0.758